# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-10T18:02:42+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2005 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1100133","7.119","0.008","11.532","0.006","12.49","0.007","107.14","0.05","95.43","0.07","92.03","0.06","973.3","1.3","280","2","280","2","","","","","","","","5","P -1","-P 1","2","Bis(p-toluidinium) tetrachlorozincate(II)","Bis(p-toluidinium) tetrachlorozincate(II)","","- C14 H20 Cl4 N2 Zn -","- C14 H20 Cl4 N2 Zn -","- C28 H40 Cl8 N4 Zn2 -","2","1","","Rademeyer, M.","Bis(p-toluidinium) tetrachlorozincate(II)","Acta Crystallographica Section E","2005","61","","m304","m306","10.1107/S1600536805000747","","","0.71073","MoKα","","0.0789","0.0436","","","0.094","0.106","","","","","","0.895","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100137","10.5297","0.0006","12.6897","0.0008","6.9432","0.0004","90","","94.782","0.001","90","","924.51","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di(nitrate)bis(mu-7,8-dihydro-7-oxo-1,2,4-triazolo[4,3-a]pyrimidine-N1,N2) disilver(I) dihydrate","","- C10 H12 Ag2 N10 O10 -","- C10 H12 Ag2 N10 O10 -","- C20 H24 Ag4 N20 O20 -","2","0.5","","Sawsan Salameh; Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Inorganica Chimica Acta","2005","358","","824","827","10.1016/j.ica.2004.09.025","","","0.71073","MoKα","","0.0256","0.0232","","","0.0582","0.0592","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100140","17.076","0.003","19.341","0.003","13.481","0.002","90","","90","","90","","4452.3","1.2","100","2","100","2","","","","","","","","6","P n n 2","P 2 -2n","34","(Cu3Cl2(OH)3(2-pymo)(4,4'-bpy)1.5)n(NO3)n.6.25nH2O","","","- C34 H41.5 Cl2 Cu3 N9 O12.25 -","- C34 H27 Cl2 Cu3 N9 O12.25 -","- C136 H108 Cl8 Cu12 N36 O49 -","4","1","","Barea, Elisa; Quiros, Miguel; Navarro, Jorge A. R.; Salas, Juan M.","Heteroleptic pyrimidine-2-olate and 4,4[prime or minute]-bipyridine copper(II) layered metal-organic frameworks with swelling properties.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1743","1746","10.1039/b500942a","","","0.71073","MoKα","","0.1154","0.0841","","","0.201","0.2176","","","","","","1.099","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100142","10.0218","0.0009","9.3216","0.0008","16.2203","0.0013","90","","112.962","0.006","90","","1395.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cl Co Cr2 H20 N6 O8 -","- Cl Co Cr2 H20 N6 O8 -","- Cl4 Co4 Cr8 H80 N24 O32 -","4","1","","Raj Pal Sharma; Ritu Bala; Rajni Sharma; Juan M. Salas; Miguel Quiros","","Journal of Coordination Chemistry","2005","58","","217","223","10.1080/0095897042000327888","","","0.71073","MoKα","","0.0373","0.0326","","0.0949","0.0906","","","","1.072","1.091","1.091","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100706","9.0697","0.0005","11.5456","0.0006","13.9266","0.0008","90","","102.3","0.001","90","","1424.85","0.14","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H2 In O14 Rb3 Si5 -","- H2 In O14 Rb3 Si5 -","- H8 In4 O56 Rb12 Si20 -","4","1","","Ling-I Hung; Sue-Lein Wang; Chia-Yi Chen; Bor-Chen Chang; Kwang-Hwa Lii","Rb3In(H2O)Si5O13: A Novel Indium Silicate with a CdSO4-Topological-Type Structure","Inorganic Chemistry","2005","44","","2992","2994","10.1021/ic048296n","","","0.71073","MoKα","","0.0211","0.0209","","","0.0521","0.0522","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100707","8.919","0.005","15.424","0.007","10.074","0.005","90","","107.047","0.015","90","","1325","1.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Pt(C(NHCH3)2)4] 2[Au(CN)2]","","","- C16 H32 Au2 N12 Pt -","- C16 H32 Au2 N12 Pt -","- C32 H64 Au4 N24 Pt2 -","2","0.5","","Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch","Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions","Inorganic Chemistry","2005","44","","3466","3472","10.1021/ic048333a","","","0.71073","MoKα","","0.0577","0.0527","","","0.1338","0.1408","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100708","8.3863","0.0005","8.4243","0.0005","10.8888","0.0007","86.48","0.002","74.549","0.002","89.27","0.003","740.07","0.08","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Pt(C(NHCH~3~)~2~)~4~][Ag(CN)~2~][Ag~2~(CN)~3~]","","","- C16 H32 Ag3 N14 Pt -","- C16 H32 Ag3 N14 Pt -","- C16 H32 Ag3 N14 Pt -","1","0.5","","Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch","Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions","Inorganic Chemistry","2005","44","","3466","3472","10.1021/ic048333a","","","0.71073","MoKα","","0.0283","0.0236","","","0.058","0.0625","","","","","","0.904","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100709","7.0515","0.0013","9.2481","0.0014","9.2728","0.0018","75.077","0.002","77.247","0.005","79.743","0.006","565.16","0.17","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Pt(bpy)~2~][Au(CN)~2~]~2~","","","- C24 H16 Au2 N8 Pt -","- C24 H16 Au2 N8 Pt -","- C24 H16 Au2 N8 Pt -","1","0.5","","Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch","Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions","Inorganic Chemistry","2005","44","","3466","3472","10.1021/ic048333a","","","0.71073","MoKα","","0.0387","0.0354","","","0.0903","0.0921","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100710","6.3598","0.0006","6.9603","0.0007","9.0333","0.0009","88.311","0.002","79.576","0.002","74.306","0.002","378.53","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Pt(en)~2~][Au(CN)~2~]~2~","","","- C8 H16 Au2 N8 Pt -","- C8 H16 Au2 N8 Pt -","- C8 H16 Au2 N8 Pt -","1","0.5","","Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch","Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions","Inorganic Chemistry","2005","44","","3466","3472","10.1021/ic048333a","","","0.71073","MoKα","","0.0205","0.0205","","","0.0501","0.0501","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100711","6.3899","0.0004","6.9793","0.0005","8.9383","0.0006","89.026","0.001","79.631","0.001","73.716","0.001","376.15","0.04","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Pt(en)~2~][Ag(CN)~2~]~2~","","","- C8 H16 Ag2 N8 Pt -","- C8 H16 Ag2 N8 Pt -","- C8 H16 Ag2 N8 Pt -","1","0.5","","Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch","Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions","Inorganic Chemistry","2005","44","","3466","3472","10.1021/ic048333a","","","0.71073","MoKα","","0.0151","0.0151","","","0.0391","0.0391","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100712","9.444","0.001","10.522","0.001","19.75","0.001","88.64","0.01","89.6","0.01","67.44","0.01","1811.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Ge N2 O Zr -","- C40 H54 Ge N2 O Zr -","- C80 H108 Ge2 N4 O2 Zr2 -","2","1","","Leslie W. Pineda; Vojtech Jancik; Herbert W. Roesky; Regine Herbst-Irmer","OH Functionality of Germanium(II) Compounds for the Formation of Heterobimetallic Oxides","Inorganic Chemistry","2005","44","","3537","3540","10.1021/ic048383f","","","1.54178","CuKα","","0.0297","0.0288","","","0.0728","0.0735","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100713","9.323","0.001","10.474","0.001","20.2","0.001","89.13","0.01","89.87","0.01","67.04","0.01","1816","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Ge Hf N2 O -","- C40 H54 Ge Hf N2 O -","- C80 H108 Ge2 Hf2 N4 O2 -","2","1","","Leslie W. Pineda; Vojtech Jancik; Herbert W. Roesky; Regine Herbst-Irmer","OH Functionality of Germanium(II) Compounds for the Formation of Heterobimetallic Oxides","Inorganic Chemistry","2005","44","","3537","3540","10.1021/ic048383f","","","1.54178","CuKα","","0.0296","0.0287","","","0.0782","0.0785","","","","","","1.265","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100714","23.935","0.003","14.2035","0.0016","22.489","0.003","90","","106.99","0.02","90","","7311.7","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H156 F24 N16 O32 P4 Zn8 -","- C108 H156 F24 N16 O32 P4 Zn8 -","- C216 H312 F48 N32 O64 P8 Zn16 -","2","0.25","","Jingwen Chen; Xiaoyong Wang; Yangguang Zhu; Jun Lin; Xiaoliang Yang; Yizhi Li; Yi Lu; Zijian Guo","An Asymmetric Dizinc Phosphodiesterase Model with Phenolate and Carboxylate Bridges","Inorganic Chemistry","2005","44","","3422","3430","10.1021/ic048654m","","","0.71073","MoKα","","0.0631","0.0484","","","0.1325","0.1385","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100715","12.6448","0.0011","12.9364","0.0012","16.7806","0.0016","84.98","0.011","76.41","0.01","67.177","0.01","2459.2","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H58 N2 P4 W -","- C57 H58 N2 P4 W -","- C114 H116 N4 P8 W2 -","2","1","","Kay H. Horn; Natascha Böres; Nicolai Lehnert; Klaus Mersmann; Christian Näther; Gerhard Peters; Felix Tuczek","Reduction Pathway of End-On Terminally Coordinated Dinitrogen. IV. Geometric, Electronic, and Vibrational Structure of a W(IV) Dialkylhydrazido Complex and Its Two-Electron-Reduced Derivative Undergoing N-N Cleavage upon Protonation","Inorganic Chemistry","2005","44","","3016","3030","10.1021/ic048675g","","","0.71073","MoKα","","0.0599","0.0423","","","0.0922","0.0989","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100717","21.232","0.005","21.232","0.005","4.323","0.002","90","","90","","120","","1687.7","1","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Br3 La9 Sb16 -","- Br3 La9 Sb16 -","- Br6 La18 Sb32 -","2","0.166667","","Chong Zheng; Hansjürgen Mattausch; Arndt Simon","La9Sb16Br3 and Ce9Sb16Cl3: Stars and Stripes in Rare Earth Halide and Intermetallic Compounds","Inorganic Chemistry","2005","44","","3684","3689","10.1021/ic049220u","","","0.71073","MoKα","","0.0411","0.0411","","","0.0866","0.0866","","","","","","1.608","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100718","20.8622","0.0016","20.8622","0.0016","4.2728","0.0007","90","","90","","120","","1610.5","0.3","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ce9 Cl3 Sb16 -","- Ce9 Cl3 Sb16 -","- Ce18 Cl6 Sb32 -","2","0.166667","","Chong Zheng; Hansjürgen Mattausch; Arndt Simon","La9Sb16Br3 and Ce9Sb16Cl3: Stars and Stripes in Rare Earth Halide and Intermetallic Compounds","Inorganic Chemistry","2005","44","","3684","3689","10.1021/ic049220u","","","0.71073","MoKα","","0.0521","0.0519","","","0.1043","0.1044","","","","","","1.486","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100719","13.3916","0.0005","13.4574","0.0005","20.1343","0.0007","73.226","0.001","86.07","0.001","64.368","0.001","3125.6","0.2","141","2","141","2","","","","","","","","6","P -1","-P 1","2","AMA232","","","- C67 H84 B2 Cu2 N8 O7 -","- C67 H84 B2 Cu2 N8 O7 -","- C134 H168 B4 Cu4 N16 O14 -","2","1","","Aaron M. Appel; Rachel Newell; Daniel L. DuBois; M. Rakowski DuBois","Concentration of Carbon Dioxide by Electrochemically Modulated Complexation with a Binuclear Copper Complex","Inorganic Chemistry","2005","44","","3046","3056","10.1021/ic050023k","","","0.71073","MoKα","","0.1163","0.0663","","","0.1515","0.1763","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100720","9.4708","0.0004","25.913","0.0011","31.6182","0.0013","90","","101.79","0.001","90","","7595.9","0.6","141","2","141","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cu2(CO3)(tpmc)(BPh4)2","","","- C340.43 H348.62 B8 Cu8 N36.22 O20 -","- C340.432 H348.648 B8 Cu8 N36.216 O20 -","- C340.432 H348.648 B8 Cu8 N36.216 O20 -","1","0.25","","Aaron M. Appel; Rachel Newell; Daniel L. DuBois; M. Rakowski DuBois","Concentration of Carbon Dioxide by Electrochemically Modulated Complexation with a Binuclear Copper Complex","Inorganic Chemistry","2005","44","","3046","3056","10.1021/ic050023k","","","0.71073","MoKα","","0.1448","0.1092","","","0.2472","0.2644","","","","","","1.159","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100721","3.3583","0.0004","3.3583","0.0004","14.3468","0.0019","90","","90","","120","","140.13","0.03","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","Manganese carbodiimide","","","- C Mn N2 -","- C Mn N2 -","- C3 Mn3 N6 -","3","0.0833333","","Xiaohui Liu; Manuel Krott; Paul Müller; Chunhua Hu; Heiko Lueken; Richard Dronskowski","Synthesis, Crystal Structure, and Properties of MnNCN, the First Carbodiimide of a Magnetic Transition Metal","Inorganic Chemistry","2005","44","","3001","3003","10.1021/ic050050a","","","0.71073","MoKα","","0.0251","0.0251","","","0.0593","0.0594","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100722","12.531","0.003","12.531","0.003","18.476","0.011","90","","90","","120","","2512.5","1.7","153","2","153","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C33 H15 Cl4 Fe4 N3 O17 -","- C33 H15 Cl3.999 Fe4 N3 O17 -","- C66 H30 Cl7.998 Fe8 N6 O34 -","2","0.166667","","Andrea C. Sudik; Adrien P. Côté; Omar M. Yaghi","Metal-Organic Frameworks Based on Trigonal Prismatic Building Blocks and the New ""acs"" Topology","Inorganic Chemistry","2005","44","","2998","3000","10.1021/ic050064g","","","0.71073","MoKα","","0.1241","0.1044","","","0.2454","0.255","","","","","","1.26","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1100723","13.01","0.004","13.01","0.004","14.874","0.009","90","","90","","120","","2180.3","1.6","153","2","153","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","C40.50 H18 Fe3 N3 O16","","","- C40.5 H18 Fe3 N3 O16 -","- C40.5 H18 Fe3 N3 O16 -","- C81 H36 Fe6 N6 O32 -","2","0.166667","","Andrea C. Sudik; Adrien P. Côté; Omar M. Yaghi","Metal-Organic Frameworks Based on Trigonal Prismatic Building Blocks and the New ""acs"" Topology","Inorganic Chemistry","2005","44","","2998","3000","10.1021/ic050064g","","","0.71073","MoKα","","0.1382","0.0651","","","0.1039","0.1193","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100724","9.5809","0.0019","18.196","0.004","17.263","0.004","90","","105.54","0.03","90","","2899.5","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 O3 -","- C36 H30 N4 O3 -","- C144 H120 N16 O12 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.1053","0.0574","","","0.1497","0.1667","","","","","","1.105","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100725","10.188","0.002","22.928","0.005","13.624","0.003","90","","93.11","0.03","90","","3177.7","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 Cl4 Hg N4 O2 -","- C33 H24 Cl4 Hg N4 O2 -","- C132 H96 Cl16 Hg4 N16 O8 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.0607","0.0413","","","0.1103","0.117","","","","","","1.09","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100726","17.124","0.003","11.727","0.002","16.249","0.003","90","","103.84","0.03","90","","3168.3","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Cl4 Hg N4 O2 -","- C33 H24 Cl4 Hg N4 O2 -","- C132 H96 Cl16 Hg4 N16 O8 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.092","0.0432","","","0.084","0.0983","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100727","17.239","0.003","11.94","0.002","16.268","0.003","90","","103.34","0.03","90","","3258.2","1.1","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Br2 Cl2 Hg N4 O2 -","- C33 H24 Br2 Cl2 Hg N4 O2 -","- C132 H96 Br8 Cl8 Hg4 N16 O8 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.0631","0.0426","","","0.1016","0.1092","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100728","20.856","0.004","15.847","0.003","23.865","0.005","90","","96.91","0.03","90","","7830","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34.25 H27 Cl4.5 Hg I2 N4 O2 -","- C34.25 H27 Cl4.5 Hg I2 N4 O2 -","- C274 H216 Cl36 Hg8 I16 N32 O16 -","8","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.1469","0.074","","","0.1917","0.2271","","","","","","0.975","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1100729","15.023","0.003","15.582","0.003","16.554","0.003","90","","90","","90","","3875.1","1.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H34 Cl2 Hg I2 N4 O3 -","- C37 H34 Cl2 Hg I2 N4 O3 -","- C148 H136 Cl8 Hg4 I8 N16 O12 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.0689","0.0465","","","0.1014","0.1096","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100730","18.204","0.004","10.865","0.002","16.03","0.003","90","","91.91","0.03","90","","3168.8","1.1","396","2","396","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25.2 Cl2.8 Hg0.95 N4 O2.6 -","- C33 H25.2 Cl2.8 Hg0.95 N4 O2.6 -","- C132 H100.8 Cl11.2 Hg3.8 N16 O10.4 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.0876","0.0709","","","0.1892","0.2008","","","","","","1.049","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1100731","18.187","0.004","11.165","0.002","16.286","0.003","90","","92.5","0.03","90","","3303.9","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 Br2 Cl2 Hg N4 O2 -","- C33 H22 Br2 Cl2 Hg N4 O2 -","- C132 H88 Br8 Cl8 Hg4 N16 O8 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.0741","0.0514","","","0.1331","0.1486","","","","","","0.988","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100732","16.652","0.003","12.318","0.003","16.223","0.003","90","","102.03","0.03","90","","3254.6","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H24 Br3 Hg1.5 N4 O2.5 -","- C32.5 H24 Br3 Hg1.5 N4 O2.5 -","- C130 H96 Br12 Hg6 N16 O10 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.081","0.0625","","","0.182","0.1954","","","","","","1.027","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1100733","34.84","0.007","13.241","0.003","16.423","0.003","90","","103.28","0.03","90","","7374","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Hg1.5 I3 N4 O4 -","- C34 H30 Hg1.5 I3 N4 O4 -","- C272 H240 Hg12 I24 N32 O32 -","8","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.1247","0.0957","","","0.2766","0.3016","","","","","","1.016","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1100734","26.836","0.004","26.836","0.004","53.305","0.011","90","","90","","120","","33246","10","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C65 H46.33 Cl2 Hg2.17 I4.33 N8 O4.17 -","- C65 H46.34 Cl2 Hg2.16667 I4.33333 N8 O4.16667 -","- C1170 H834.12 Cl36 Hg39 I78 N144 O75 -","18","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.1482","0.0954","","","0.2451","0.2819","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100735","16.432","0.003","21.204","0.004","25.86","0.005","88.82","0.03","82.32","0.03","69.61","0.03","8367","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- Cl3 Eu H82 K5 O155.5 P4 W34 -","- Cl3 Eu K5 O155.5 P4 W34 -","- Cl6 Eu2 K10 O311 P8 W68 -","2","1","","Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi","Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates","Inorganic Chemistry","2005","44","","3569","3578","10.1021/ic050103o","","","0.71073","MoKα","","0.1786","0.1125","","","0.2761","0.3158","","","","","","1.053","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100736","41.339","0.008","15.636","0.003","24.988","0.005","90","","104.53","0.03","90","","15635","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- K14 La O158 P4 W34 -","- K14 La O158 P4 W34 -","- K56 La4 O632 P16 W136 -","4","0.5","","Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi","Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates","Inorganic Chemistry","2005","44","","3569","3578","10.1021/ic050103o","","","0.71073","MoKα","","0.1162","0.0744","","","0.1953","0.236","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100737","41.072","0.008","16.152","0.003","24.933","0.005","90","","104.63","0.03","90","","16004","6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- Cl4 H92 K4 Na6 Nd O162 P4 W34 -","- Cl4 K4 Na4 Nd O162 P4 W34 -","- Cl16 K16 Na16 Nd4 O648 P16 W136 -","4","0.5","","Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi","Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates","Inorganic Chemistry","2005","44","","3569","3578","10.1021/ic050103o","","","0.71073","MoKα","","0.1846","0.1221","","","0.2982","0.3469","","","","","","1.044","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1100738","13.236","0.002","13.659","0.002","14.778","0.002","94.841","0.003","101.952","0.004","97.012","0.004","2577.7","0.6","223.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H61 B Mn N5 O2 -","- C58 H61 B Mn N5 O2 -","- C116 H122 B2 Mn2 N10 O4 -","2","1","","Yutaka Hitomi; Akira Ando; Hajime Matsui; Tomoyuki Ito; Tsunehiro Tanaka; Seiji Ogo; Takuzo Funabiki","Aerobic Catechol Oxidation Catalyzed by a Bis(μ-oxo)dimanganese(III,III) Complex via a Manganese(II)-Semiquinonate Complex","Inorganic Chemistry","2005","44","","3473","3478","10.1021/ic050109d","","","0.7107","MoKα","","","0.0554","","","","0.1279","","","","","","1.618","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100739","19.474","0.002","14.884","0.002","24.538","0.003","90","","105.37","0.003","90","","6858","1.4","243.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H76 B2 Mn2 N8 O2 -","- C84 H76 B2 Mn2 N8 O2 -","- C336 H304 B8 Mn8 N32 O8 -","4","0.5","","Yutaka Hitomi; Akira Ando; Hajime Matsui; Tomoyuki Ito; Tsunehiro Tanaka; Seiji Ogo; Takuzo Funabiki","Aerobic Catechol Oxidation Catalyzed by a Bis(μ-oxo)dimanganese(III,III) Complex via a Manganese(II)-Semiquinonate Complex","Inorganic Chemistry","2005","44","","3473","3478","10.1021/ic050109d","","","0.7107","MoKα","","","0.066","","","","0.1797","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100740","10.9413","0.0017","11.9501","0.0017","13.0235","0.0016","77.422","0.016","76.19","0.017","74.858","0.017","1574.1","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(PPh4)[Ni(midt)2]","","","- C32 H22 N2 Ni O4 P S4 -","- C32 H22 N2 Ni O4 P S4 -","- C64 H44 N4 Ni2 O8 P2 S8 -","2","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail","A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups","Inorganic Chemistry","2005","44","","3380","3382","10.1021/ic050174n","","","0.71073","MoKα","","0.0872","0.0396","","","0.0702","0.0783","","","","","","0.781","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100741","13.0034","0.0012","18.3544","0.0014","22.048","0.002","90","","93.924","0.011","90","","5249.9","0.8","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(PPh4)2 Ni(midt)2 CH3CN","","","- C58 H45 N3 Ni O4 P2 S4 -","- C58 H45 N3 Ni O4 P2 S4 -","- C232 H180 N12 Ni4 O16 P8 S16 -","4","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail","A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups","Inorganic Chemistry","2005","44","","3380","3382","10.1021/ic050174n","","","0.71073","MoKα","","0.067","0.0291","","","0.0488","0.0585","","","","","","0.711","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100742","13.0984","0.0016","13.3622","0.0019","15.772","0.002","90.929","0.016","108.964","0.014","113.839","0.014","2352.9","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(n-Bu4N)2(Ni(midt)2)","","","- C40 H74 N4 Ni O4 S4 -","- C40 H74 N4 Ni O4 S4 -","- C80 H148 N8 Ni2 O8 S8 -","2","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail","A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups","Inorganic Chemistry","2005","44","","3380","3382","10.1021/ic050174n","","","0.71073","MoKα","","0.0678","0.0354","","","0.0734","0.0793","","","","","","0.854","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100743","10.318","0.0014","13.0706","0.0019","15.399","0.002","114.341","0.015","94.651","0.016","101.106","0.017","1826.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(PPh4)[Ni(madt)2](H2O)","","","- C32 H24 N4 Ni O5 P S4 -","- C32 H28 N4 Ni O5 P S4 -","- C64 H56 N8 Ni2 O10 P2 S8 -","2","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail","A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups","Inorganic Chemistry","2005","44","","3380","3382","10.1021/ic050174n","","","0.71073","MoKα","","0.0803","0.0549","","","0.1789","0.1938","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100744","9.1252","0.0017","11.804","0.003","12.478","0.003","70.09","0.03","77.79","0.02","76.68","0.03","1216.7","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(n-Bu4N)[Ni(mant)2]","","","- C40 H76 N6 Ni O2 S4 -","- C40 H76 N6 Ni O2 S4 -","- C40 H76 N6 Ni O2 S4 -","1","0.5","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail","A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups","Inorganic Chemistry","2005","44","","3380","3382","10.1021/ic050174n","","","0.71073","MoKα","","0.1528","0.0414","","","0.0625","0.0874","","","","","","0.592","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100745","10.1114","0.0016","13.1679","0.0017","14.002","0.002","72.019","0.016","70.639","0.017","77.02","0.017","1657.4","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(n-Bu4N)2[Ni(mant)2]","","","- C32 H24 N4 Ni O2 P S4 -","- C32 H24 N4 Ni O2 P S4 -","- C64 H48 N8 Ni2 O4 P2 S8 -","2","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail","A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups","Inorganic Chemistry","2005","44","","3380","3382","10.1021/ic050174n","","","0.71073","MoKα","","0.1752","0.0515","","","0.0911","0.1162","","","","","","0.728","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100746","6.403","0.005","10.388","0.005","16.976","0.005","84.087","0.005","84.161","0.005","79.369","0.005","1099.9","1.1","176","2","176","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cl N4 O5 Re -","- C24 H14 Cl N4 O5 Re -","- C48 H28 Cl2 N8 O10 Re2 -","2","1","","Natasha J. Lundin; Penny J. Walsh; Sarah L. Howell; John J. McGarvey; Allan G. Blackman; Keith C. Gordon","Complexes of Functionalized Dipyrido[3,2-a:2',3'-c]-phenazine: A Synthetic, Spectroscopic, Structural, and Density Functional Theory Study","Inorganic Chemistry","2005","44","","3551","3560","10.1021/ic050179k","","","0.71069","MoKα","","0.0536","0.041","","","0.0928","0.0978","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100747","19.506","0.005","18.043","0.005","13.32","0.005","90","","114.936","0.005","90","","4251","2","164","2","164","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 Br Cl N4 O4 Re -","- C22 H12 Br Cl N4 O4 Re -","- C176 H96 Br8 Cl8 N32 O32 Re8 -","8","1","","Natasha J. Lundin; Penny J. Walsh; Sarah L. Howell; John J. McGarvey; Allan G. Blackman; Keith C. Gordon","Complexes of Functionalized Dipyrido[3,2-a:2',3'-c]-phenazine: A Synthetic, Spectroscopic, Structural, and Density Functional Theory Study","Inorganic Chemistry","2005","44","","3551","3560","10.1021/ic050179k","","","0.71069","MoKα","","0.0345","0.0298","","","0.0791","0.0827","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100748","10.523","0.005","13.556","0.005","12.465","0.005","110.15","0.01","95.25","0.02","92.05","0.02","1658","1.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H70.16 Cl2 Co4 N12 O27.08 -","- C54 H48 Cl2 Co4 N12 O27.08 -","- C54 H48 Cl2 Co4 N12 O27.08 -","1","0.5","","Theocharis C. Stamatatos; Stavroula Dionyssopoulou; Georgios Efthymiou; Panayotis Kyritsis; Catherine P. Raptopoulou; Aris Terzis; Ramon Vicente; Albert Escuer; Spyros P. Perlepes","The First Cobalt Metallacrowns: Preparation and Characterization of Mixed-Valence Cobalt(II/III), Inverse 12-Metallacrown-4 Complexes","Inorganic Chemistry","2005","44","","3374","3376","10.1021/ic050208r","","","0.71073","MoKα","","0.0785","0.0596","","0.1696","0.1546","","","","1.093","1.136","1.136","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100749","11.867","0.004","14.534","0.006","12.289","0.005","70.09","0.01","80.6","0.01","69.86","0.01","1868.5","1.3","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C59.6 H78.4 Co4 F12 N12 O17.6 P2 -","- C59.6 H44 Co4 F12 N12 O17.6 P2 -","- C59.6 H44 Co4 F12 N12 O17.6 P2 -","1","0.5","","Theocharis C. Stamatatos; Stavroula Dionyssopoulou; Georgios Efthymiou; Panayotis Kyritsis; Catherine P. Raptopoulou; Aris Terzis; Ramon Vicente; Albert Escuer; Spyros P. Perlepes","The First Cobalt Metallacrowns: Preparation and Characterization of Mixed-Valence Cobalt(II/III), Inverse 12-Metallacrown-4 Complexes","Inorganic Chemistry","2005","44","","3374","3376","10.1021/ic050208r","","","0.71073","MoKα","","0.0838","0.0544","","","0.139","0.1602","","","","","","1.068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100750","6.8211","0.0014","9.6203","0.0019","13.172","0.003","90","","90","","90","","864.4","0.3","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- Ba6 Cl3 Mn4 O34 Si12 -","- Ba6 Cl3 Mn4 O34 Si12 -","- Ba6 Cl3 Mn4 O34 Si12 -","1","0.25","","Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu","Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3","Inorganic Chemistry","2005","44","","3121","3126","10.1021/ic050228t","","","0.71073","MoKα","","0.0474","0.0405","","","0.0868","0.0906","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100751","6.8782","0.0014","9.6635","0.0019","13.098","0.003","90","","90","","90","","870.6","0.3","298","2","298","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- Ba6 Cl3 Fe5 O34 Si11 -","- Ba6 Cl3 Fe5 O34 Si11 -","- Ba6 Cl3 Fe5 O34 Si11 -","1","0.25","","Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu","Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3","Inorganic Chemistry","2005","44","","3121","3126","10.1021/ic050228t","","","0.71073","MoKα","","0.027","0.026","","","0.0557","0.0561","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100752","17.5832","0.0004","17.5832","0.0004","12.1881","0.0006","90","","90","","90","","3768.2","0.2","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C10 H10 Cl5 Cu5 N2 S2 -","- C10 H10 Cl5 Cu5 N2 S2 -","- C80 H80 Cl40 Cu40 N16 S16 -","8","0.5","","Jian-Kai Cheng; Yu-Biao Chen; Ling Wu; Jian Zhang; Yi-Hang Wen; Zhao-Ji Li; Yuan-Gen Yao","A 3-D Noninterpenetrating Diamondoid Network of a Decanuclear Copper(I) Complex","Inorganic Chemistry","2005","44","","3386","3388","10.1021/ic050301f","","","0.71073","MoKα","","","0.0559","","","0.1001","0.1216","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1100753","13.9","0.04","18.83","0.05","19.15","0.05","91.11","0.05","93.27","0.05","90.39","0.05","5003","2","108","2","108","2","","","","","","","","8","P -1","-P 1","2","","","","- C92 H118 Cl2 F12 N16 O9 Pt2 Sb2 -","- C92 H118 Cl2 F12 N16 O9 Pt2 Sb2 -","- C184 H236 Cl4 F24 N32 O18 Pt4 Sb4 -","2","1","","James D. Crowley; Ian M. Steele; B. Bosnich","Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation","Inorganic Chemistry","2005","44","","2989","2991","10.1021/ic0481531","","","0.71073","MoKα","","0.0793","0.0678","","","0.1767","0.183","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100754","15.917","0.003","17.412","0.003","4.9587","0.001","90","","90","","90","","1374.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H11 Au N2 -","- C18 H11 Au N2 -","- C72 H44 Au4 N8 -","4","1","","James D. Crowley; Ian M. Steele; B. Bosnich","Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation","Inorganic Chemistry","2005","44","","2989","2991","10.1021/ic0481531","","","0.71073","MoKα","","0.0358","0.0331","","","0.078","0.0787","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100755","15.1085","0.0011","17.2305","0.0013","18.5398","0.0014","109.456","0.004","111.06","0.004","90.56","0.004","4200.6","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H56.75 Fe N5.25 O6 -","- C41.5 H56.75 Fe N5.25 O6 -","- C166 H227 Fe4 N21 O24 -","4","2","","Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro","Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations","Inorganic Chemistry","2005","44","","3626","3635","10.1021/ic0481879","","","0.71073","MoKα","","0.1202","0.0751","","","0.1898","0.2148","","","","","","0.981","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1100756","11.162","0.003","19.736","0.004","21.367","0.005","68.17","0.004","76.554","0.004","74.682","0.004","4166.6","1.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C78.5 H110.5 Cl3 Fe2 N8.5 O8 -","- C77.5 H109 Cl3 Fe2 N8 O8 -","- C155 H218 Cl6 Fe4 N16 O16 -","2","1","","Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro","Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations","Inorganic Chemistry","2005","44","","3626","3635","10.1021/ic0481879","","","0.71073","MoKα","","0.0787","0.0591","","","0.1742","0.1851","","","","","","1.08","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1100757","12.641","0.002","17.362","0.003","33.972","0.006","80.73","0.011","88.282","0.011","85.548","0.011","7335","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H98 Fe2 N6 O8 -","- C70.8185 H97.4555 Fe2 N6 O8 -","- C283.274 H389.822 Fe8 N24 O32 -","4","2","","Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro","Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations","Inorganic Chemistry","2005","44","","3626","3635","10.1021/ic0481879","","","0.71073","MoKα","","0.0973","0.0571","","","0.1344","0.1539","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100758","26.567","0.005","15.983","0.003","26.753","0.005","90","","104.552","0.003","90","","10995","4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C109 H152.5 Fe3 N10.5 O10 -","- C109 H152.5 Fe3 N10.5 O10 -","- C436 H610 Fe12 N42 O40 -","4","1","","Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro","Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations","Inorganic Chemistry","2005","44","","3626","3635","10.1021/ic0481879","","","0.71073","MoKα","","0.0715","0.0439","","","0.1126","0.1267","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100759","6.72","0.002","9.494","0.003","10.682","0.003","111.979","0.004","96.879","0.005","106.678","0.005","585.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 Cu3 N4 O5 -","- C4 H10 Cu3 N4 O5 -","- C8 H20 Cu6 N8 O10 -","2","1","","Ji-Min Zheng; Stuart R. Batten; Miao Du","A Unique Cyanide-Bridged Three-Dimensional (3-D) Copper(II)-Copper(I) Mixed-Valence Polymer Containing 1-D Water Tapes with Cyclic Pentamer Units","Inorganic Chemistry","2005","44","","3371","3373","10.1021/ic0483491","","","0.71073","MoKα","","0.0461","0.0387","","","0.1041","0.1094","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100760","9.5419","0.0014","11.8807","0.0017","11.9229","0.0018","93.561","0.003","93.604","0.003","109.951","0.002","1263","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 P2 Ru2 Se4 -","- C46 H40 P2 Ru2 Se4 -","- C46 H40 P2 Ru2 Se4 -","1","0.5","","Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers","Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates","Inorganic Chemistry","2005","44","","3441","3448","10.1021/ic0483646","","","0.71073","MoKα","","0.0686","0.0443","","","0.1192","0.1295","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100761","12.401","0.003","13.607","0.003","14.801","0.003","90","","110.628","0.003","90","","2337.4","0.9","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Ru4 Se6 -","- C20 H20 Ru4 Se6 -","- C80 H80 Ru16 Se24 -","4","0.5","","Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers","Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates","Inorganic Chemistry","2005","44","","3441","3448","10.1021/ic0483646","","","0.71073","MoKα","","0.054","0.0347","","","0.0772","0.086","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100762","25.211","0.002","13.8374","0.0012","17.1079","0.0015","90","","119.506","0.001","90","","5194.1","0.8","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 P2 Ru2 Te6 -","- C46 H40 P2 Ru2 Te6 -","- C184 H160 P8 Ru8 Te24 -","4","0.5","","Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers","Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates","Inorganic Chemistry","2005","44","","3441","3448","10.1021/ic0483646","","","0.71073","MoKα","","0.0697","0.0426","","","0.0932","0.1022","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100763","9.3753","0.0016","14.52","0.002","19.117","0.003","81.536","0.003","83.552","0.003","74.87","0.003","2477.4","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H42 Cl2 P2 Ru2 Te6 -","- C47 H42 Cl2 P2 Ru2 Te6 -","- C94 H84 Cl4 P4 Ru4 Te12 -","2","1","","Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers","Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates","Inorganic Chemistry","2005","44","","3441","3448","10.1021/ic0483646","","","0.71073","MoKα","","0.0719","0.0496","","","0.1279","0.1459","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100764","10.1","0.019","13.8","0.03","14.71","0.03","90","","103.45","0.03","90","","1994","7","245","2","245","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H92 B4 N24 S8 Zn4 -","- C60 H92 B4 N24 S8 Zn4 -","- C60 H92 B4 N24 S8 Zn4 -","1","0.25","","Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp","Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes","Inorganic Chemistry","2005","44","10","3518","3523","10.1021/ic0484147","","","0.71073","MoKα","","0.1094","0.0474","","","0.0662","0.0863","","","","","","0.604","","","","has coordinates","175230","2020-10-21","18:00:00",""
"1100765","9.392","0.004","12.838","0.005","19.134","0.008","90","","90","","90","","2307.1","1.6","230","2","230","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 B N6 S2 Zn -","- C20 H25 B N6 S2 Zn -","- C80 H100 B4 N24 S8 Zn4 -","4","1","","Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp","Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes","Inorganic Chemistry","2005","44","10","3518","3523","10.1021/ic0484147","","","0.71073","MoKα","","0.0451","0.0333","","","0.0719","0.0777","","","","","","1.067","","","","has coordinates","175230","2020-10-21","18:00:00",""
"1100766","10.103","0.0017","23.398","0.004","10.1354","0.0017","90","","103.741","0.003","90","","2327.3","0.7","499","2","499","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 B Cl N6 S2 Zn -","- C19 H22 B Cl N6 S2 Zn -","- C76 H88 B4 Cl4 N24 S8 Zn4 -","4","1","","Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp","Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes","Inorganic Chemistry","2005","44","10","3518","3523","10.1021/ic0484147","","","0.71073","MoKα","","0.0833","0.0406","","","0.0767","0.0903","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100768","21.345","0.004","8.6672","0.0016","24.5","0.005","90","","98.926","0.004","90","","4477.6","1.5","245","2","245","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 B N6 S2 Zn -","- C19 H23 B N6 S2 Zn -","- C152 H184 B8 N48 S16 Zn8 -","8","1","","Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp","Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes","Inorganic Chemistry","2005","44","10","3518","3523","10.1021/ic0484147","","","0.71073","MoKα","","0.1475","0.0473","","","0.0903","0.118","","","","","","0.907","","","","has coordinates","175230","2020-10-21","18:00:00",""
"1100769","20.688","0.004","8.5506","0.0017","25.364","0.005","90","","100.111","0.004","90","","4417.1","1.5","245","2","245","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 B Cl N6 S2 Zn -","- C18 H20 B Cl N6 S2 Zn -","- C144 H160 B8 Cl8 N48 S16 Zn8 -","8","1","","Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp","Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes","Inorganic Chemistry","2005","44","10","3518","3523","10.1021/ic0484147","","","0.71073","MoKα","","0.0631","0.0351","","","0.07","0.0774","","","","","","0.892","","","","has coordinates","175230","2020-10-21","18:00:00",""
"1100770","8.798","0.0013","10.1982","0.0015","17.945","0.003","90","","90","","90","","1610.1","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N Ni O5 P -","- C6 H8 N Ni O5 P -","- C48 H64 N8 Ni8 O40 P8 -","8","1","","Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng","Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O","Inorganic Chemistry","2005","44","","3599","3604","10.1021/ic0484248","","","0.71073","MoKα","","0.1099","0.0541","","","0.0834","0.0958","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100771","23.344","0.006","5.2745","0.0014","16.571","0.004","90","","121.576","0.004","90","","1738.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cd N O5 P -","- C6 H8 Cd N O5 P -","- C48 H64 Cd8 N8 O40 P8 -","8","1","","Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng","Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O","Inorganic Chemistry","2005","44","","3599","3604","10.1021/ic0484248","","","0.71073","MoKα","","0.0953","0.0715","","","0.112","0.1192","","","","","","1.218","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100772","22.2714","0.0016","22.2714","0.0016","9.8838","0.0011","90","","90","","120","","4245.7","0.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H33 Gd N3 O18 P3 -","- C18 H33 Gd N3 O18 P3 -","- C108 H198 Gd6 N18 O108 P18 -","6","0.333333","","Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng","Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O","Inorganic Chemistry","2005","44","","3599","3604","10.1021/ic0484248","","","0.71073","MoKα","","0.0627","0.0516","","","0.1502","0.1532","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100773","14.9131","0.0012","12.6146","0.001","24.0113","0.0019","90","","99.792","0.002","90","","4451.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H27 Cr F15 N5 -","- C53 H27 Cr F15 N5 -","- C212 H108 Cr4 F60 N20 -","4","1","","Nicola Y. Edwards; Rebecca A. Eikey; Megan I. Loring; Mahdi M. Abu-Omar","High-Valent Imido Complexes of Manganese and Chromium Corroles","Inorganic Chemistry","2005","44","","3700","3708","10.1021/ic0484506","","","0.71073","MoKα","","0.0997","0.0437","","","0.091","0.116","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100774","14.243","0.0018","14.243","0.0018","28.419","0.005","90","","90","","90","","5765.2","1.4","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C14 H10 N8 Zn -","- C14 H10 N8 Zn -","- C224 H160 N128 Zn16 -","16","1","","Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue","A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis","Inorganic Chemistry","2005","44","","3618","3625","10.1021/ic0500098","","","0.71073","MoKα","","0.045","0.0317","","","0.0894","0.0929","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100775","10.485","0.0016","10.485","0.0016","13.088","0.003","90","","90","","90","","1438.8","0.5","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H10 Cl0 N12 Zn -","- C12 H10 N12 Zn -","- C48 H40 N48 Zn4 -","4","0.25","","Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue","A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis","Inorganic Chemistry","2005","44","","3618","3625","10.1021/ic0500098","","","0.71073","MoKα","","0.0502","0.0449","","","0.1179","0.1196","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100776","14.0469","0.0008","23.9451","0.0013","14.2106","0.0008","90","","110.88","0.001","90","","4465.9","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","J*N(Me)Tl","","","- C25.75 H30 N O0.25 Tl -","- C25.75 H30 N O0.25 Tl -","- C206 H240 N8 O2 Tl8 -","8","2","","Robert J. Wright; Marcin Brynda; Philip P. Power","A Monomeric Thallium(I) Amide in the Solid State: Synthesis and Structure of TlN(Me)Ar^Mes~2~^ (Ar^Mes~2~^= C~6~H~3~-2,6-Mes~2~)","Inorganic Chemistry","2005","44","","3368","3370","10.1021/ic0500255","","","0.71073","MoKα","","0.0566","0.0301","","","0.0663","0.0728","","","","","","1.035","","","","has coordinates","192294","2020-10-21","18:00:00",""
"1100777","8.648","0.003","10.323","0.003","15.103","0.005","90","","90.879","0.006","90","","1348.1","0.8","295","2","295","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- Na2 O8 S2 Zn -","- Na2 O8 S2 Zn -","- Na16 O64 S16 Zn8 -","8","2","","Rolf W. Berg; Niels Thorup","The Reaction between ZnO and Molten Na2S2O7 or K2S2O7 Forming Na2Zn(SO4)2 or K2Zn(SO4)2, Studied by Raman Spectroscopy and X-ray Diffraction","Inorganic Chemistry","2005","44","","3485","3493","10.1021/ic0500513","","","0.71073","MoKα","","0.0758","0.0369","","","0.081","0.0945","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100778","5.3582","0.0011","8.7653","0.0018","16.152","0.003","90","","91.78","0.03","90","","758.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K2 O8 S2 Zn -","- K2 O8 S2 Zn -","- K8 O32 S8 Zn4 -","4","1","","Rolf W. Berg; Niels Thorup","The Reaction between ZnO and Molten Na2S2O7 or K2S2O7 Forming Na2Zn(SO4)2 or K2Zn(SO4)2, Studied by Raman Spectroscopy and X-ray Diffraction","Inorganic Chemistry","2005","44","","3485","3493","10.1021/ic0500513","","","0.71073","MoKα","","0.0526","0.0351","","","0.0694","0.0758","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100779","22.69","0.002","16.6746","0.0017","18.1507","0.0019","90","","93.39","0.002","90","","6855.2","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H104 N12 O72 P12 S2 Zn14 -","- C72 H104 N12 O72 P12 S2 Zn14 -","- C144 H208 N24 O144 P24 S4 Zn28 -","2","0.25","","Deng-Ke Cao; Yi-Zhi Li; Li-Min Zheng","[Zn7{(2-C5H4N)CH(OH)PO3}6(H2O)6]SO4.4H2O: A Zinc Phosphonate Cluster with a Drum-like Cage Structure","Inorganic Chemistry","2005","44","","2984","2985","10.1021/ic0500659","","","0.71073","MoKα","","0.085","0.057","","","0.1159","0.1231","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100780","11.824","0.002","10.358","0.002","21.483","0.004","90","","108.296","0.004","90","","2498.1","0.8","153.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H78 N4 -","- C56 H78 N4 -","- C112 H156 N8 -","2","0.5","","Chizu Shimokawa; Shinobu Itoh","The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex","Inorganic Chemistry","2005","44","","3010","3012","10.1021/ic0501014","","","0.7107","MoKα","","","0.053","","","","0.054","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100781","11.16","0.008","12.854","0.009","21.44","0.02","82.84","0.03","83.35","0.03","85.24","0.03","3024","4","153.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H78 Ag2 Cl4 N4 -","- C56 H78 Ag2 Cl4 N4 -","- C112 H156 Ag4 Cl8 N8 -","2","1","","Chizu Shimokawa; Shinobu Itoh","The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex","Inorganic Chemistry","2005","44","","3010","3012","10.1021/ic0501014","","","0.7107","MoKα","","","0.064","","","","0.065","","","","","","1.048","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100782","14.866","0.004","28.12","0.007","17.752","0.005","90","","118.873","0.003","90","","6498","3","153.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C113 H146 Ag4 Cl2 N12 -","- C113 H146 Ag4 Cl2 N12 -","- C226 H292 Ag8 Cl4 N24 -","2","0.5","","Chizu Shimokawa; Shinobu Itoh","The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex","Inorganic Chemistry","2005","44","","3010","3012","10.1021/ic0501014","","","0.7107","MoKα","","","0.05","","","","0.052","","","","","","1.065","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100783","12.432","0.002","16.167","0.002","15.208","0.003","90","","105.025","0.004","90","","2952.1","0.8","153.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H38 Ag Cl2 N3 O2 -","- C28 H38 Ag Cl2 N3 O2 -","- C112 H152 Ag4 Cl8 N12 O8 -","4","2","","Chizu Shimokawa; Shinobu Itoh","The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex","Inorganic Chemistry","2005","44","","3010","3012","10.1021/ic0501014","","","0.7107","MoKα","","","0.047","","","","0.05","","","","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100788","21.365","0.006","15.428","0.005","6.697","0.005","90","","90","","90","","2207","1","294.1","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H30 Ir2 N4 -","- C22 H30 Ir2 N4 -","- C88 H120 Ir8 N16 -","4","0.5","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.052","","","","0.054","","","","","","1.001","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100789","8.888","0.005","11.704","0.004","12.696","0.004","88.75","0.03","86.05","0.04","76.3","0.04","1280.2","0.9","294.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Ir2 N4 O2 -","- C24 H30 Ir2 N4 O2 -","- C48 H60 Ir4 N8 O4 -","2","1","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.026","","","","0.026","","","","","","1.006","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100790","19.199","0.005","13.714","0.005","9.781","0.003","90","","90","","90","","2575","1","108.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H39 Ir2 N4 P -","- C25 H39 Ir2 N4 P -","- C100 H156 Ir8 N16 P4 -","4","0.5","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.058","","","","0.068","","","","","","1.006","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100791","12.084","0.004","12.105","0.004","19.525","0.007","99.37","0.01","91.82","0.01","118.88","0.01","2447","1","294.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H61 Ir2 N4 P2 -","- C56 H61 Ir2 N4 P2 -","- C112 H122 Ir4 N8 P4 -","2","1","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.031","","","","0.036","","","","","","1.005","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100792","12.68","0.002","12.734","0.002","32.297","0.004","90","","90","","90","","5214","1","293.1","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C55 H64 B Cl2 Ir2 N4 Rh -","- C55 H64 B Cl2 Ir2 N4 Rh -","- C220 H256 B4 Cl8 Ir8 N16 Rh4 -","4","0.5","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.051","","","","0.052","","","","","","1.007","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100798","11.3691","0.0015","13.9028","0.0009","15.137","0.002","90","","108.131","0.012","90","","2273.8","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 N2 Si2 Zr -","- C18 H36 N2 Si2 Zr -","- C72 H144 N8 Si8 Zr4 -","4","1","","Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G.","Insertion Reactions into the Metal‒Alkyl and Metal‒Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes","Organometallics","2005","24","10","2424","2432","10.1021/om048984e","","x-ray","0.71073","MoKα","","0.0683","0.0402","","","0.0886","0.1001","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100799","11.119","0.002","19.43","0.004","15.805","0.002","90","","106.355","0.011","90","","3276.4","1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 N3 Si2 Zr -","- C33 H49 N3 Si2 Zr -","- C132 H196 N12 Si8 Zr4 -","4","1","","Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G.","Insertion Reactions into the Metal‒Alkyl and Metal‒Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes","Organometallics","2005","24","10","2424","2432","10.1021/om048984e","","x-ray","0.71073","MoKα","","0.1359","0.0636","","","0.121","0.1446","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1100800","9.7722","0.001","11.3369","0.0004","17.0066","0.0016","98.372","0.006","102.866","0.01","99.863","0.007","1776.2","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 N4 Si2 Ti -","- C36 H54 N4 Si2 Ti -","- C72 H108 N8 Si4 Ti2 -","2","1","","Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G.","Insertion Reactions into the Metal–Alkyl and Metal–Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes","Organometallics","2005","24","10","2424","2432","10.1021/om048984e","","x-ray","0.71073","MoKα","","0.1097","0.0614","","","0.1466","0.1654","","","","","","1.023","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100801","6.5764","0.0009","13.4764","0.0019","17.321","0.002","75.545","0.002","81.394","0.002","82.551","0.002","1462.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H62 Cl2 F24 N12 O4 P8 Ru2 -","- C34 H62 Cl2 F24 N12 O4 P8 Ru2 -","- C34 H62 Cl2 F24 N12 O4 P8 Ru2 -","1","0.5","","Mebi, Charles A.; Frost, Brian J.","Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H","Organometallics","2005","24","10","2339","2346","10.1021/om048987r","","","0.71073","MoKα","","0.1534","0.0669","","","0.1353","0.1524","","","","","","0.929","","","","has coordinates","180561","2020-10-21","18:00:00",""
"1100802","26.2152","0.0019","14.954","0.0011","6.4535","0.0005","90","","90","","90","","2529.9","0.3","123","2","123","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C17 H30 Cl F6 N6 O3 P3 Ru -","- C17 H30 Cl F6 N6 O3 P3 Ru -","- C68 H120 Cl4 F24 N24 O12 P12 Ru4 -","4","1","","Mebi, Charles A.; Frost, Brian J.","Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H","Organometallics","2005","24","10","2339","2346","10.1021/om048987r","","","0.71073","MoKα","","0.0745","0.0471","","","0.0918","0.0984","","","","","","0.928","","","","has coordinates","180561","2020-10-21","18:00:00",""
"1100803","18.2636","0.0011","9.3501","0.0004","9.2895","0.0004","90","","90","","90","","1586.34","0.14","133","2","133","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H23 Cl N2 O Pd -","- C13 H23 Cl N2 O Pd -","- C52 H92 Cl4 N8 O4 Pd4 -","4","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G.","Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides","Organometallics","2005","24","10","2516","2527","10.1021/om048999c","","","0.71073","MoKα","","0.0166","0.0152","","","0.0381","0.0386","","","","","","1.044","","","","has coordinates","180560","2020-10-21","18:00:00",""
"1100804","8.6505","0.0005","11.8001","0.0005","18.7442","0.0014","83.546","0.005","87.742","0.005","70.234","0.004","1789.2","0.19","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H33 Cl3 F3 N3 O4 Pd S -","- C32 H33 Cl3 F3 N3 O4 Pd S -","- C64 H66 Cl6 F6 N6 O8 Pd2 S2 -","2","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G.","Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides","Organometallics","2005","24","10","2516","2527","10.1021/om048999c","","","0.71073","MoKα","","0.0361","0.029","","","0.0684","0.0705","","","","","","1.041","","","","has coordinates,has disorder","180560","2020-10-21","18:00:00",""
"1100809","9.0352","0.0003","20.1007","0.0008","18.2507","0.0007","90","","104.14","0.002","90","","3214.2","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ti{Me3SiNC(Ph)CH2CH2CH2NMe2}{OC(O)N-t-Bu}]","","- C30 H50 N4 O2 Si Ti -","- C30 H50 N4 O2 Si Ti -","- C120 H200 N16 O8 Si4 Ti4 -","4","1","","Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip","Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~","Organometallics","2005","24","10","2347","2367","10.1021/om049026f","","","0.71073","MoKα","","","0.0597","","","","0.0496","","","","","","1.0724","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100810","12.7045","0.0004","16.1774","0.0004","22.812","0.0008","108.2","0.001","94.168","0.001","90.162","0.002","4440.5","","150","","150","","","","","","","","[Ti(N-t-Bu){Me3SiNC(C6H5)NCH2CH2NMe2}Cl] + CO2","6","P -1","-P 1","2","","[Ti2(mu-O)2(C5H4Me)2{Me3SiNC(C6H5)NCH2CH2NMe2}2]","","- C40 H62 N6 O2 Si2 Ti2 -","- C40 H62 N6 O2 Si2 Ti2 -","- C160 H248 N24 O8 Si8 Ti8 -","4","2","","Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip","Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~","Organometallics","2005","24","10","2347","2367","10.1021/om049026f","","","0.71073","MoKα","","","0.0522","","","","0.0575","","","","","","0.2534","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100811","9.3597","0.0002","10.7886","0.0002","12.1749","0.0003","72.8419","0.0008","76.2046","0.0008","72.8192","0.0009","1106.74","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ti2(mu-O)2(C5H4Me)2{Me3SiNC(C6H5)NCH2CH2CH2NMe2}2]","","- C42 H66 N6 O2 Si2 Ti2 -","- C42 H66 N6 O2 Si2 Ti2 -","- C42 H66 N6 O2 Si2 Ti2 -","1","0.5","","Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip","Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~","Organometallics","2005","24","10","2347","2367","10.1021/om049026f","","","0.71073","MoKα","","","0.0367","","","0.0387","","","","","1.076","1.076","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100816","12.611","0.003","12.665","0.002","14.887","0.002","72.302","0.012","70.461","0.013","68.172","0.015","2035.8","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H43 F3 N Ni O P -","- C46 H43 F3 N Ni O P -","- C92 H86 F6 N2 Ni2 O2 P2 -","2","1","","Li, Xiao-Fang; Li, Yang-Guo; Li, Yue-Sheng; Chen, Yan-Xiang; Hu, Ning-Hai","Copolymerization of Ethylene with Methyl Methacrylate with Neutral Nickel(II) Complexes Bearing β-Ketoiminato Chelate Ligands","Organometallics","2005","24","10","2502","2510","10.1021/om049080w","","","0.71073","MoKα","","0.0781","0.0405","","","0.0643","0.0696","","","","","","0.872","","","","has coordinates","187722","2020-10-21","18:00:00",""
"1100817","10.782","0.003","38.013","0.011","10.424","0.003","90","","114.18","0.02","90","","3897.5","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N Ni O P -","- C46 H46 N Ni O P -","- C184 H184 N4 Ni4 O4 P4 -","4","1","","Li, Xiao-Fang; Li, Yang-Guo; Li, Yue-Sheng; Chen, Yan-Xiang; Hu, Ning-Hai","Copolymerization of Ethylene with Methyl Methacrylate with Neutral Nickel(II) Complexes Bearing β-Ketoiminato Chelate Ligands","Organometallics","2005","24","10","2502","2510","10.1021/om049080w","","","0.71073","MoKα","","0.0998","0.0438","","","0.0723","0.079","","","","","","0.915","","","","has coordinates","187722","2020-10-21","18:00:00",""
"1100818","9.299","0.003","21.609","0.006","18.37","0.013","90","","96.7","0.03","90","","3666","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 F3 N Ni O P -","- C41 H41 F3 N Ni O P -","- C164 H164 F12 N4 Ni4 O4 P4 -","4","1","","Li, Xiao-Fang; Li, Yang-Guo; Li, Yue-Sheng; Chen, Yan-Xiang; Hu, Ning-Hai","Copolymerization of Ethylene with Methyl Methacrylate with Neutral Nickel(II) Complexes Bearing β-Ketoiminato Chelate Ligands","Organometallics","2005","24","10","2502","2510","10.1021/om049080w","","","0.71073","MoKα","","0.1164","0.0677","","","0.1763","0.1924","","","","","","1.02","","","","has coordinates","187722","2020-10-21","18:00:00",""
"1100823","10.0582","0.0005","10.9779","0.0006","28.1698","0.0015","90","","90","","90","","3110.5","0.3","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H51 Si2 Y -","- C31 H51 Si2 Y -","- C124 H204 Si8 Y4 -","4","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0681","0.0426","","","0.0861","0.0968","","","","","","1.024","","","","has coordinates","282633","2023-04-14","12:39:59",""
"1100824","11.0875","0.001","19.7843","0.0018","15.6311","0.0014","90","","93.695","0.002","90","","3421.7","0.5","171","2","171","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H116 Al2 Si4 Y2 -","- C64 H116 Al2 Si4 Y2 -","- C128 H232 Al4 Si8 Y4 -","2","0.5","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.1233","0.0531","","","0.1111","0.1381","","","","","","1.021","","","","has coordinates","282633","2023-04-14","12:40:02",""
"1100825","29.2318","0.0015","29.2318","0.0015","10.1105","0.0007","90","","90","","90","","8639.4","0.9","163","2","163","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C23 H35 Si Y -","- C23 H30 Si Y -","- C368 H480 Si16 Y16 -","16","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0485","0.0361","","","0.0896","0.0965","","","","","","1.074","","","","has coordinates","282633","2023-04-14","12:40:04",""
"1100826","22.5779","0.0005","22.5779","0.0005","8.4111","0.0003","90","","90","","90","","4287.7","0.2","163","2","163","2","","","","","","","","3","I -4","I -4","82","","","","- C23 H35 Lu -","- C23 H35 Lu -","- C184 H280 Lu8 -","8","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0237","0.0214","","","0.0492","0.0504","","","","","","1.073","","","","has coordinates","282633","2023-04-14","12:40:07",""
"1100827","8.9218","0.0011","17.632","0.002","13.6181","0.0017","90","","90.066","0.002","90","","2142.3","0.5","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Y -","- C23 H35 Y -","- C92 H140 Y4 -","4","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0499","0.0304","","","0.0671","0.0732","","","","","","1.056","","","","has coordinates","282633","2023-04-14","12:40:08",""
"1100830","13.1163","0.0002","16.2269","0.0003","14.1022","0.0003","90","","117.693","0.001","90","","2657.65","0.09","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Au Cl2 P -","- C28 H26 Au Cl2 P -","- C112 H104 Au4 Cl8 P4 -","4","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0407","0.0371","","","0.0937","0.0961","","","","","","1.124","","","","has coordinates","282633","2023-04-14","12:40:11",""
"1100831","17.2772","0.0001","18.3213","0.0002","18.6586","0.0002","90","","90","","90","","5906.21","0.1","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Au N -","- C32 H46 Au N -","- C256 H368 Au8 N8 -","8","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0426","0.04","","","0.1229","0.126","","","","","","1.081","","","","has coordinates","282633","2023-04-14","12:40:14",""
"1100832","8.9747","0.0002","12.4383","0.0003","17.9334","0.0005","78.1633","0.0012","84.1125","0.0013","78.1765","0.0019","1913.93","0.08","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H106 Au2 Cl4 N2 -","- C82 H106 Au2 Cl4 N2 -","- C82 H106 Au2 Cl4 N2 -","1","0.5","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0668","0.04","","","0.0763","0.0848","","","","","","1.111","","","","has coordinates","282633","2023-04-14","12:40:19",""
"1100833","8.9539","0.0005","12.9892","0.0008","15.4944","0.0011","83.782","0.005","79.915","0.005","78.659","0.002","1734.47","0.19","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Au Cl2 P -","- C36 H28 Au Cl2 P -","- C72 H56 Au2 Cl4 P2 -","2","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0719","0.0597","","","0.1361","0.1434","","","","","","1.182","","","","has coordinates,has disorder","282633","2023-04-14","12:40:32",""
"1100834","9.2632","0.0001","11.1278","0.0002","12.1561","0.0002","82.9382","0.0006","73.8315","0.0006","78.437","0.0009","1176.05","0.03","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 Au P -","- C27 H24 Au P -","- C54 H48 Au2 P2 -","2","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0232","0.0231","","","0.0615","0.0617","","","","","","1.122","","","","has coordinates","282777","2023-04-20","11:56:39",""
"1100840","7.3561","0.0001","14.3852","0.0003","11.9104","0.0002","90","","90.843","0.0012","90","","1260.21","0.04","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H44 Cl2 O P2 Ru -","- C20 H44 Cl2 O P2 Ru -","- C40 H88 Cl4 O2 P4 Ru2 -","2","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.0327","0.0286","","","0.0727","0.0752","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:39",""
"1100841","10.9035","0.0008","14.2678","0.0011","15.581","0.0013","68.844","0.004","89.075","0.005","83.462","0.005","2245","0.3","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H72 Cl3 F6 O2 P5 Ru2 -","- C32 H72 Cl3 F6 O2 P5 Ru2 -","- C64 H144 Cl6 F12 O4 P10 Ru4 -","2","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.186","0.1039","","","0.2273","0.2738","","","","","","1.037","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100842","11.829","0.0003","13.4628","0.0004","15.2504","0.0003","79.474","0.0015","87.028","0.0014","73.807","0.0013","2293.05","0.1","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C45 H66 B Cl3 N2 O P2 Ru -","- C45 H66 B Cl3 N2 O P2 Ru -","- C90 H132 B2 Cl6 N4 O2 P4 Ru2 -","2","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.1021","0.0559","","","0.1234","0.1488","","","","","","1.046","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100843","10.7468","0.0004","16.5738","0.0004","12.9615","0.0005","90","","109.736","0.0014","90","","2173.03","0.13","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 Cl2 O P2 Ru -","- C16 H38 Cl2 O P2 Ru -","- C64 H152 Cl8 O4 P8 Ru4 -","4","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.0741","0.0403","","","0.0812","0.0944","","","","","","1.078","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100844","10.7245","0.0002","13.8487","0.0004","15.4083","0.0004","90","","90","","90","","2288.45","0.1","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Cl2 N2 O P2 Ru -","- C16 H36 Cl2 N2 O P2 Ru -","- C64 H144 Cl8 N8 O4 P8 Ru4 -","4","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.0493","0.036","","","0.0751","0.0815","","","","","","1.085","","","","has coordinates,has disorder","282777","2023-04-20","11:56:40",""
"1100847","33.5236","0.001","33.5236","0.001","8.7943","0.0004","90","","90","","90","","9883.3","0.6","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H38 B4 Cl2 Ru2 -","- C20 H38 B4 Cl2 Ru2 -","- C320 H608 B64 Cl32 Ru32 -","16","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.026","0.0241","","","0.0576","0.0586","","","","","","1.132","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100848","9.0023","0.0003","9.5781","0.0004","16.027","0.0006","76.678","0.001","79.159","0.001","67.732","0.001","1236.64","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 B4 Cl2 Ru2 -","- C20 H36 B4 Cl2 Ru2 -","- C40 H72 B8 Cl4 Ru4 -","2","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0251","0.0225","","","0.0556","0.057","","","","","","1.042","","","","has coordinates,has disorder","200397","2020-10-21","18:00:00",""
"1100849","10.5503","0.0004","13.9118","0.0005","17.6855","0.0007","90","","105.063","0.001","90","","2506.58","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 B4 Cl3 Ru2 -","- C20 H35 B4 Cl3 Ru2 -","- C80 H140 B16 Cl12 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0256","0.0228","","","0.0575","0.0589","","","","","","1.025","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100850","22.027","0.003","12.4145","0.0014","23.813","0.003","90","","90","","90","","6511.5","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24.5 H43.84 B5 Cl3 Ru2 S -","- C24.5 H38 B5 Cl3 Ru2 S -","- C196 H304 B40 Cl24 Ru16 S8 -","8","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0372","0.0348","","","0.1026","0.1041","","","","","","1.163","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100851","8.4861","0.0004","20.9284","0.001","15.954","0.0007","90","","91.414","0.001","90","","2832.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 B5 Cl3 Ru2 S -","- C22 H38 B5 Cl3 Ru2 S -","- C88 H152 B20 Cl12 Ru8 S4 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0217","0.0203","","","0.0478","0.0484","","","","","","1.081","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100852","9.066","0.0005","32.7224","0.0017","9.1682","0.0005","90","","111.444","0.001","90","","2531.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B6 Cl3 Ru2 -","- C20 H33 B6 Cl3 Ru2 -","- C80 H132 B24 Cl12 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.051","0.0436","","","0.1052","0.1086","","","","","","1.122","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100853","14.5799","0.0009","11.3893","0.0007","17.7889","0.0011","90","","94.371","0.001","90","","2945.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 B6 Cl4 Ru2 -","- C21 H42 B6 Cl4 Ru2 -","- C84 H168 B24 Cl16 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0437","0.0323","","","0.0736","0.0786","","","","","","1.027","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100854","9.705","0.004","13.701","0.004","19.123","0.006","90","","90","","90","","2542.8","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 B8 Cl Ru2 -","- C20 H39 B8 Cl Ru2 -","- C80 H156 B32 Cl4 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0476","0.0451","","","0.1095","0.1108","","","","","","1.219","","","","has coordinates,has disorder","200397","2020-10-21","18:00:00",""
"1100855","18.032","0.004","10.346","0.002","21.479","0.004","90","","105.5","0.03","90","","3861.2","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H40 Cl2 Fe4 N2 O8 -","- C39 H40 Cl2 Fe4 N2 O8 -","- C156 H160 Cl8 Fe16 N8 O32 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0584","0.0502","","","0.1353","0.1416","","","","","","1.062","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100856","9.3991","0.0019","19.964","0.004","10.132","0.002","90","","109.83","0.03","90","","1788.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Fe N O2 -","- C20 H21 Fe N O2 -","- C80 H84 Fe4 N4 O8 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0892","0.0494","","","0.1252","0.1452","","","","","","0.963","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100857","12.735","0.003","27.48","0.006","10.206","0.002","90","","112.8","0.03","90","","3292.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Fe4 N2 O4 -","- C36 H38 Fe4 N2 O4 -","- C144 H152 Fe16 N8 O16 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0956","0.0564","","","0.1226","0.1398","","","","","","1.054","","","","has coordinates,has disorder","282777","2023-04-20","11:56:40",""
"1100858","9.92","0.002","34.927","0.007","14.849","0.003","90","","90","","90","","5144.6","1.8","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C27 H31 Fe2 N O2 Si -","- C27 H31 Fe2 N O2 Si -","- C216 H248 Fe16 N8 O16 Si8 -","8","","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0692","0.0478","","","0.1113","0.1212","","","","","","1.05","","","","has coordinates,has disorder","282777","2023-04-20","11:56:40",""
"1100859","14.7275","0.0005","28.8178","0.0009","9.7016","0.0003","90","","90","","90","","4117.5","0.2","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H24 Au Cl N2 -","- C21 H24 Au Cl N2 -","- C168 H192 Au8 Cl8 N16 -","8","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0184","0.0161","","","0.0387","0.0396","","","","","","1.094","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100860","8.4242","0.0003","21.933","0.0009","11.2534","0.0005","90","","91.06","0.001","90","","2078.91","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Au Cl N2 -","- C21 H26 Au Cl N2 -","- C84 H104 Au4 Cl4 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0179","0.0173","","","0.0438","0.0441","","","","","","1.187","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100861","10.9098","0.0005","12.5994","0.0006","19.3635","0.0009","90","","90","","90","","2661.6","0.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H38 Au Cl N2 -","- C27 H38 Au Cl N2 -","- C108 H152 Au4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0263","0.0187","","","0.0426","0.0467","","","","","","1.06","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100862","8.084","0.0003","8.084","0.0003","20.631","0.0015","90","","90","","90","","1348.26","0.12","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C11 H20 Au Cl N2 -","- C11 H20 Au Cl N2 -","- C44 H80 Au4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0206","0.0201","","","0.0494","0.0497","","","","","","1.155","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100863","10.405","0.002","8.4073","0.0018","11.068","0.002","90","","90","","90","","968.3","0.4","396","2","396","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Au Cl N2 -","- C7 H12 Au Cl N2 -","- C28 H48 Au4 Cl4 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0698","0.0477","","","0.1035","0.1102","","","","","","1.08","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100864","9.557","0.0005","19.4416","0.001","17.6956","0.0009","90","","103.144","0.001","90","","3201.8","0.3","396","2","396","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Au2 Cl2 N4 -","- C30 H48 Au2 Cl2 N4 -","- C120 H192 Au8 Cl8 N16 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0386","0.0371","","","0.0881","0.0888","","","","","","1.079","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100865","14.5735","0.0007","11.7626","0.0006","12.9098","0.0006","90","","111.449","0.001","90","","2059.76","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Au Cl N2 -","- C23 H32 Au Cl N2 -","- C92 H128 Au4 Cl4 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0225","0.0207","","","0.0524","0.0535","","","","","","1.096","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100866","7.3539","0.0004","10.8603","0.0005","14.5517","0.0007","91.929","0.001","91.323","0.001","101.547","0.001","1137.48","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Au Cl N3 -","- C11 H11 Au Cl N3 -","- C44 H44 Au4 Cl4 N12 -","4","2","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0218","0.0214","","","0.0634","0.0637","","","","","","1.077","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100867","38.8057","0.0019","10.9768","0.0006","15.7674","0.0008","90","","103.486","0.001","90","","6531.1","0.6","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","RuCl2(H2IMes)(=CH-Ph-CH=N-Ph)","","","- C35 H37 Cl2 N3 Ru -","- C35 H37 Cl2 N3 Ru -","- C280 H296 Cl16 N24 Ru8 -","8","1","","Slugovc, Christian; Burtscher, Daniel; Stelzer, Franz; Mereiter, Kurt","Thermally Switchable Olefin Metathesis Initiators Bearing Chelating Carbenes: Influence of the Chelate's Ring Size","Organometallics","2005","24","10","2255","2258","10.1021/om050141f","","","0.71073","MoKα","","0.0742","0.0498","","","0.1207","0.1342","","","","","","1.046","","","","has coordinates,has disorder","282777","2023-04-20","11:56:41",""
"1100868","27.76","0.04","15.49","0.02","17.149","0.005","90","","92.59","0.04","90","","7366","15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","RuCl2(H2IMes)(=CH-Ph-N=CH-Ph).solv","","","- C35 H37 Cl2 N3 Ru -","- C37.489 H37 Cl2 N3 Ru -","- C299.912 H296 Cl16 N24 Ru8 -","8","1","","Slugovc, Christian; Burtscher, Daniel; Stelzer, Franz; Mereiter, Kurt","Thermally Switchable Olefin Metathesis Initiators Bearing Chelating Carbenes: Influence of the Chelate's Ring Size","Organometallics","2005","24","10","2255","2258","10.1021/om050141f","","","0.71073","MoKα","","0.0996","0.0586","","","0.1214","0.1692","","","","","","1.176","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100869","9.5092","0.0001","17.3418","0.0002","18.1765","0.0002","69.709","0.0005","88.5567","0.0005","89.6242","0.0005","2810.52","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","fac-[(2-methoxycarbonylethynil)tricarbonyl(bis(diphenylphosphanyl)methane) manganese(I)]","","- C64 H50 Mn2 O10 P4 -","- C64 H50 Mn2 O10 P4 -","- C128 H100 Mn4 O20 P8 -","2","1","","Ruiz, J.; Quesada, R.; Vivanco, M.; Castellano, E. E.; Piro, O. E.","Stepwise Formation of σ-Alkynyl, Vinylidene, and Vinylphosphonium Complexes of Manganese(I)","Organometallics","2005","24","10","2542","2545","10.1021/om050146c","","","0.71073","MoKα","","0.0394","0.032","","","0.0939","0.1016","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100870","10.2407","0.0002","16.6566","0.0004","18.3683","0.0004","90","","95.65","0.001","90","","3118","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","fac-[tricarbonyl(2-methoxycarbonylvinyliden(diphenylphosphanylmethyl)diphenylphosphorane)maganese(I)] tetrafluoroborate","","- C32 H26 B F4 Mn O5 P2 -","- C32 H26 B F4 Mn O5 P2 -","- C128 H104 B4 F16 Mn4 O20 P8 -","4","1","","Ruiz, J.; Quesada, R.; Vivanco, M.; Castellano, E. E.; Piro, O. E.","Stepwise Formation of σ-Alkynyl, Vinylidene, and Vinylphosphonium Complexes of Manganese(I)","Organometallics","2005","24","10","2542","2545","10.1021/om050146c","","","0.71073","MoKα","","0.0472","0.0373","","","0.0945","0.101","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100871","42.11","0.005","10.6323","0.0009","20.577","0.002","90","","117.67","0.006","90","","8159.4","1.4","163","","163","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H51 F12 N O2 P2 W -","- C35 H51 F12 N O2 P2 W -","- C280 H408 F96 N8 O16 P16 W8 -","8","1","","Jamison, Gregory M.; Wheeler, David R.; Loy, Douglas A.; Ziller, Joseph W.","Double Phosphaalkyne Insertion to a Tungsten Alkylidene: Formation of a Diphosphametallabicyclobutane","Organometallics","2005","24","10","2245","2247","10.1021/om050150o","","","0.71073","MoKα","","0.0467","0.0317","","0.0714","0.065","","","","1.06","1.085","1.085","","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100872","14.6994","0.0004","17.0733","0.0005","18.7037","0.0006","113.789","0.001","93.112","0.001","95.302","0.001","4255.2","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H134 N10 Sm2 -","- C92 H134 N10 Sm2 -","- C184 H268 N20 Sm4 -","2","1","","Wang, Jun; Amos, Ruth I. J.; Frey, Alistair S. P.; Gardiner, Michael G.; Cole, Marcus L.; Junk, Peter C.","Reversible Sm(III)/Sm(II) Redox Chemistry of an Organosamarium(III) Complex","Organometallics","2005","24","10","2259","2261","10.1021/om050172a","","","0.71073","MoKα","","0.0821","0.0436","","","0.0935","0.1075","","","","","","1.015","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100874","39.057","0.0013","18.0757","0.0006","22.9961","0.0007","90","","126.005","0.001","90","","13133.4","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H74 O13 P2 Pt2 Ru5 -","- C52 H74 O13 P2 Pt2 Ru5 -","- C416 H592 O104 P16 Pt16 Ru40 -","8","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","New High Nuclearity Platinum‒Ruthenium Carbonyl Cluster Complexes Containing a Phenylacetylene Ligand: Structures and Properties","Organometallics","2005","24","10","2419","2423","10.1021/om050175n","","","0.71073","MoKα","","0.0731","0.0509","","","0.1155","0.124","","","","","","1.095","","","","has coordinates","180566","2020-10-21","18:00:00",""
"1100875","14.7755","0.0008","16.3794","0.0009","17.372","0.001","80.34","0.001","66.324","0.001","71.645","0.001","3650.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H90 O13 P3 Pt3 Ru5 -","- C61 H90 O13 P3 Pt3 Ru5 -","- C122 H180 O26 P6 Pt6 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","New High Nuclearity Platinum‒Ruthenium Carbonyl Cluster Complexes Containing a Phenylacetylene Ligand: Structures and Properties","Organometallics","2005","24","10","2419","2423","10.1021/om050175n","","","0.71073","MoKα","","0.0673","0.0485","","","0.1275","0.1401","","","","","","1.019","","","","has coordinates","180566","2020-10-21","18:00:00",""
"1100878","14.12","0.004","24.452","0.007","11.08","0.003","90","","90.92","0.02","90","","3825","2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H33 O8 Ru3 -","- C43 H26 O8 Ru3 -","- C172 H104 O32 Ru12 -","4","0.5","","Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu.","Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone","Organometallics","2005","24","10","2279","2288","10.1021/om0489958","","","0.71073","MoKα","","0.0721","0.0367","","","0.0788","0.0827","","","","","","0.917","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100879","10.6747","0.0013","12.9415","0.0016","23.694","0.003","88.432","0.003","83.478","0.003","73.94","0.004","3125.1","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H56 O11 Ru3 -","- C75 H56 O11 Ru3 -","- C150 H112 O22 Ru6 -","2","1","","Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu.","Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone","Organometallics","2005","24","10","2279","2288","10.1021/om0489958","","","0.71073","MoKα","","0.1234","0.0597","","","0.1071","0.1187","","","","","","0.946","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1100880","10.4959","0.0017","12.347","0.002","12.762","0.002","75.86","0.003","83.084","0.003","76.385","0.003","1555.2","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H56 O12 Ru4 -","- C76 H56 O12 Ru4 -","- C76 H56 O12 Ru4 -","1","0.5","","Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu.","Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone","Organometallics","2005","24","10","2279","2288","10.1021/om0489958","","","0.71073","MoKα","","0.0777","0.0437","","","0.1042","0.1227","","","","","","0.986","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1100881","11.2554","0.0012","14.1456","0.0015","14.174","0.0015","65.566","0.002","80.367","0.002","70.567","0.002","1936.4","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 O8 Ru2 -","- C44 H40 O8 Ru2 -","- C88 H80 O16 Ru4 -","2","1","","Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu.","Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone","Organometallics","2005","24","10","2279","2288","10.1021/om0489958","","","0.71073","MoKα","","0.0729","0.0514","","","0.1139","0.1225","","","","","","1.045","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1100887","7.265","0.003","11.059","0.004","22.303","0.008","90","","91.824","0.005","90","","1791.2","1","168","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Fe -","- C26 H18 Fe -","- C104 H72 Fe4 -","4","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","","","","0.0608","0.0423","","","0.101","0.1075","","","","","","0.919","","","","has coordinates","209832","2020-10-21","18:00:00",""
"1100888","7.81","0.005","9.956","0.006","13.205","0.008","107.54","0.006","101.733","0.007","100.521","0.006","925.4","1","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H18 Fe -","- C28 H18 Fe -","- C56 H36 Fe2 -","2","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","0.71073","MoKα","","0.0515","0.0374","","","0.0894","0.093","","","","","","0.966","","","","has coordinates","209832","2020-10-21","18:00:00",""
"1100889","11.421","0.001","10.868","0.001","17.2066","0.0016","90","","99.609","0.001","90","","2105.8","0.3","158","2","158","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Fe -","- C32 H20 Fe -","- C128 H80 Fe4 -","4","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","0.71073","MoKα","","0.0891","0.0754","","","0.2192","0.2279","","","","","","1.066","","","","has coordinates","209832","2020-10-21","18:00:00",""
"1100890","7.7278","0.0004","10.5188","0.0009","12.0885","0.0008","101.449","0.005","100.901","0.004","95.453","0.005","936.69","0.11","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 Fe -","- C26 H20 Fe -","- C52 H40 Fe2 -","2","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","0.71073","MoKα","","0.0436","0.0345","","","0.0905","0.1033","","","","","","0.613","","","","has coordinates,has disorder","209832","2020-10-21","18:00:00",""
"1100891","19.12","0.03","7.379","0.009","14.89","0.03","90","","110.62","0.03","90","","1966","5","168","2","168","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1-ferrocenyl-2-(1-pyrenyl) ethene","","- C28 H20 Fe -","- C28 H20 Fe -","- C112 H80 Fe4 -","4","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","0.71073","MoKα","","0.102","0.0363","","","0.0594","0.0696","","","","","","0.829","","","","has coordinates","209832","2020-10-21","18:00:00",""
"1100892","6.0387","0.0001","32.3369","0.0005","15.9373","0.0002","90","","103.062","0.0006","90","","3031.6","0.08","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 F20 O0.18 P2 -","- C32 H8 F20 O0.18 P2 -","- C128 H32 F80 O0.72 P8 -","4","1","","Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Electron-Poor Pentafluorophenyl-Substituted PCP‒Palladium Pincer Complexes","Organometallics","2005","24","9","2016","2019","10.1021/om0500063","","","0.71073","MoKα","","0.0615","0.0381","","","0.0929","0.1046","","","","","","1.072","","","","has coordinates","210323","2020-10-21","18:00:00",""
"1100893","10.1565","0.0002","25.6619","0.0005","16.1795","0.0003","90","","110.544","0.0008","90","","3948.77","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H10 B F24 N P2 Pd -","- C34 H10 B F24 N P2 Pd -","- C136 H40 B4 F96 N4 P8 Pd4 -","4","1","","Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Electron-Poor Pentafluorophenyl-Substituted PCP‒Palladium Pincer Complexes","Organometallics","2005","24","9","2016","2019","10.1021/om0500063","","","0.71073","MoKα","","0.0577","0.0407","","","0.0931","0.1001","","","","","","1.04","","","","has coordinates,has disorder","210323","2020-10-21","18:00:00",""
"1100894","15.4853","0.0001","13.6515","0.0001","26.0274","0.0002","90","","122.559","0.0003","90","","4637.39","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46.7 H23.8 Cl F20 P2 Pd -","- C46.7 H23.8 Cl F20 P2 Pd -","- C186.8 H95.2 Cl4 F80 P8 Pd4 -","4","1","","Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Electron-Poor Pentafluorophenyl-Substituted PCP‒Palladium Pincer Complexes","Organometallics","2005","24","9","2016","2019","10.1021/om0500063","","","0.71073","MoKα","","0.0542","0.043","","","0.1286","0.1381","","","","","","1.06","","","","has coordinates,has disorder","210323","2020-10-21","18:00:00",""
"1100895","16.8425","0.0003","21.51","0.0004","36.4135","0.0007","90","","100.741","0.0006","90","","12960.8","","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Nb(NtBu){MeC(2-C5H4N)(CH2NSiMe3)(CH2NC(OSiMe3)NtBu)}Cl]","","- C24 H47 Cl N5 Nb O Si2 -","- C24 H47 Cl N5 Nb O Si2 -","- C384 H752 Cl16 N80 Nb16 O16 Si32 -","16","4","","Ward, Benjamin D.; Orde, Gavin; Clot, Eric; Cowley, Andrew R.; Gade, Lutz H.; Mountford, Philip","Reactions of Neutral and Cationic Diamide-Supported Imido Complexes with CO <sub>2</sub> and Other Heterocumulenes: Issues of Site Selectivity","Organometallics","2005","24","10","2368","2385","10.1021/om0500265","","","0.71073","MoKα","","","0.0433","","","","0.0501","","","","","","1.0441","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1100899","11.4596","0.0005","12.0029","0.0005","16.3524","0.0007","78.569","0.001","89.576","0.001","75.536","0.001","2132.65","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H69 Ge N2 P2 Si4 -","- C35 H68 Ge N2 P2 Si4 -","- C70 H136 Ge2 N4 P4 Si8 -","2","1","","Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.","An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study","Organometallics","2005","24","9","2157","2167","10.1021/om0501125","","","0.71073","MoKα","","0.0299","0.0268","","","0.0755","0.0776","","","","","","1.036","","","","has coordinates","210321","2020-10-21","18:00:00",""
"1100900","48.748","0.003","11.2312","0.0006","11.141","0.0006","90","","90","","90","","6099.7","0.6","160","2","160","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C44 H92 Ge I2 Li2 N2 O3 P2 Si4 -","- C44 H92 Ge I2 Li2 N2 O3 P2 Si4 -","- C176 H368 Ge4 I8 Li8 N8 O12 P8 Si16 -","4","1","","Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.","An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study","Organometallics","2005","24","9","2157","2167","10.1021/om0501125","","","0.71073","MoKα","","0.0581","0.0476","","","0.0965","0.0998","","","","","","1.106","","","","has coordinates,has disorder","210321","2020-10-21","18:00:00",""
"1100901","23.4873","0.0005","23.4873","0.0005","23.4873","0.0005","90","","90","","90","","12956.8","0.5","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C48 H93 Ge K N3 P3 Si6 -","- C48 H93 Ge K N3 P3 Si6 -","- C384 H744 Ge8 K8 N24 P24 Si48 -","8","0.333333","","Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.","An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study","Organometallics","2005","24","9","2157","2167","10.1021/om0501125","","","0.71073","MoKα","","0.0548","0.0402","","","0.1185","0.1358","","","","","","1.167","","","","has coordinates","210321","2020-10-21","18:00:00",""
"1100902","9.814","0.004","9.861","0.004","11.505","0.005","101.19","0.03","111.44","0.04","101.37","0.03","971.9","0.7","243.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 Cl2 N2 V -","- C17 H27 Cl2 N2 V -","- C34 H54 Cl4 N4 V2 -","2","1","","Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro","A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)","Organometallics","2005","24","10","2248","2250","10.1021/om0501834","","","0.7107","MoKα","","","0.036","","","","0.045","","","","","","1.056","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100903","9.838","0.001","12.565","0.002","20.509","0.003","90","","95.857","0.004","90","","2521.9","0.6","243.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Cl2 N2 P V -","- C20 H36 Cl2 N2 P V -","- C80 H144 Cl8 N8 P4 V4 -","4","1","","Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro","A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)","Organometallics","2005","24","10","2248","2250","10.1021/om0501834","","","0.7107","MoKα","","","0.057","","","","0.068","","","","","","1.064","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100904","29.52","0.003","10.9241","0.0005","18.578","0.001","90","","109.683","0.003","90","","5641","0.7","243.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cl2 N2 P2 V -","- C23 H43 Cl2 N2 P2 V -","- C184 H344 Cl16 N16 P16 V8 -","8","1","","Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro","A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)","Organometallics","2005","24","10","2248","2250","10.1021/om0501834","","","0.7107","MoKα","","","0.043","","","","0.048","","","","","","1.094","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100905","10.554","0.002","10.944","0.002","13.145","0.003","98.745","0.008","92.067","0.009","98.33","0.01","1482.2","0.5","243.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H46 N2 P Si V -","- C24 H46 N2 P Si V -","- C48 H92 N4 P2 Si2 V2 -","2","1","","Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro","A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)","Organometallics","2005","24","10","2248","2250","10.1021/om0501834","","","0.7107","MoKα","","","0.054","","","","0.067","","","","","","1.02","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100935","11.634","0.002","13.223","0.003","13.291","0.003","99.27","0.03","92.21","0.03","99.95","0.03","1982.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H46 Na8 O38 Ti -","- C18 H36 Na8 O38 Ti -","- C36 H72 Na16 O76 Ti2 -","2","1","","Joseph M. Collins; Ritika Uppal; Christopher D. Incarvito; Ann M. Valentine","Titanium(IV) Citrate Speciation and Structure under Environmentally and Biologically Relevant Conditions","Inorganic Chemistry","2005","44","","3431","3440","10.1021/ic048158y","","","0.71073","MoKα","","0.0737","0.0575","","","0.1748","0.1858","","","","","","1.342","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100936","7.285","0.003","10.067","0.004","8.103","0.002","90","","112.21","0.02","90","","550.2","0.3","293","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H16 N P Si -","- C7 H16 N P Si -","- C14 H32 N2 P2 Si2 -","2","0.5","","Becker, Gerd; Brombach, Heike; Horner, Stephen T.; Niecke, Edgar; Schwarz, Wolfgang; Streubel, Rainer; Würthwein, Ernst-Ulrich","Synthesis and Structure of K^+^[^i^PrN=C=P]^-^, a 1-Aza-3λ^3^-phospha-3-allenide","Inorganic Chemistry","2005","44","9","3080","3086","10.1021/ic048162+","","","0.71073","MoKα","","0.0327","0.0296","","","0.0858","0.0889","","","","","","1.08","","","","has coordinates","270073","2021-10-23","22:03:08",""
"1100937","14.3655","0.0019","8.8715","0.0012","8.4647","0.0016","90","","90","","90","","1078.8","0.3","173","2","173","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C16 H31 K N O6 P -","- C16 H31 K N O6 P -","- C32 H62 K2 N2 O12 P2 -","2","0.5","","Becker, Gerd; Brombach, Heike; Horner, Stephen T.; Niecke, Edgar; Schwarz, Wolfgang; Streubel, Rainer; Würthwein, Ernst-Ulrich","Synthesis and Structure of K^+^[^i^PrN=C=P]^-^, a 1-Aza-3λ^3^-phospha-3-allenide","Inorganic Chemistry","2005","44","9","3080","3086","10.1021/ic048162+","","","0.71073","MoKα","","0.0533","0.0369","","","0.0904","0.0994","","","","","","0.984","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100938","39.07","0.03","9.625","0.008","19.353","0.016","90","","111.644","0.013","90","","6765","9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 Cl2 N8 O13 Ru -","- C30 H25 Cl2 N8 O13 Ru -","- C240 H200 Cl16 N64 O104 Ru8 -","8","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.71073","MoKα","","0.1679","0.0744","","","0.1456","0.1846","","","","","","0.992","","","","has coordinates","189516","2020-10-21","18:00:00",""
"1100939","14.398","0.0008","12.162","0.0009","15.477","0.0014","90","","92.644","0.006","90","","2707.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl2 N6 O4 Ru -","- C28 H22 Cl2 N6 O4 Ru -","- C112 H88 Cl8 N24 O16 Ru4 -","4","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.7093","MoKα","","0.041","0.0339","","","0.086","0.0934","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100940","13.702","0.0008","13.805","0.0011","15.196","0.0012","90","0.006","101.52","0.006","90","0.006","2816.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H22 Cl N7 O6 Ru -","- C28 H22 Cl N7 O6 Ru -","- C112 H88 Cl4 N28 O24 Ru4 -","4","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.7093","MoKα","","0.0428","0.033","","","0.0757","0.0817","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100941","9.2829","0.0014","10.4319","0.0015","18.729","0.003","104.955","0.002","92.655","0.002","95.718","0.002","1738.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl3 N7 O15 Ru -","- C28 H26 Cl3 N7 O15 Ru -","- C56 H52 Cl6 N14 O30 Ru2 -","2","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.71073","MoKα","","0.0771","0.0544","","","0.1317","0.1428","","","","","","1.063","","","","has coordinates","189516","2020-10-21","18:00:00",""
"1100942","21.1704","0.0018","30.04","0.003","14.8373","0.0013","90","","133.379","0.001","90","","6858.3","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28.5 H21.25 Cl3 N6.75 O14 Ru -","- C28.5 H21.25 Cl3 N6.75 O14 Ru -","- C228 H170 Cl24 N54 O112 Ru8 -","8","2","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.71073","MoKα","","0.0475","0.0423","","","0.1127","0.117","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100943","11.191","0.0011","14.194","0.001","33.151","0.001","90","0.004","90","0.006","90","0.007","5265.9","0.7","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C27 H19 Cl2 N5 O5 Ru -","- C27 H19 Cl2 N5 O5 Ru -","- C216 H152 Cl16 N40 O40 Ru8 -","8","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.7093","MoKα","","0.0475","0.0347","","","0.0814","0.0896","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100944","11.196","0.0009","14.428","0.001","34.039","0.006","90","0.011","90","0.01","90","0.006","5498.5","1.1","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C27 H20 Cl N6 O7.5 Ru -","- C27 H20 Cl N6 O7.5 Ru -","- C216 H160 Cl8 N48 O60 Ru8 -","8","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.7093","","","0.0495","0.0357","","","0.0848","0.0918","","","","","","1.063","","","","has coordinates","189516","2020-10-21","18:00:00",""
"1100945","13.6062","0.0016","15.2525","0.0018","15.6016","0.0019","113.505","0.002","93.348","0.002","105.418","0.002","2812.3","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.25 H20 Cl2 N5 O4.25 Ru S -","- C27.25 H20 Cl2 N5 O4.25 Ru S -","- C109 H80 Cl8 N20 O17 Ru4 S4 -","4","2","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.71073","MoKα","","0.1044","0.0715","","","0.1933","0.2138","","","","","","1.051","","","","has coordinates","189516","2020-10-21","18:00:00",""
"1100946","8.697","0.006","13.905","0.006","21.176","0.008","90","","90","","90","","2561","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Ce Cu N5 O13 -","- C20 H22 Ce Cu N5 O13 -","- C80 H88 Ce4 Cu4 N20 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0568","0.0347","","","0.0731","0.0889","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100947","8.619","0.005","13.8698","0.001","21.1269","0.0015","90","","90","","90","","2525.6","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Pr -","- C20 H22 Cu N5 O13 Pr -","- C80 H88 Cu4 N20 O52 Pr4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0331","0.0273","","","0.0718","0.0837","","","","","","1.182","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100948","8.601","0.003","13.786","0.002","21.1483","0.0016","90","","90","","90","","2507.6","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu Eu N5 O13 -","- C20 H22 Cu Eu N5 O13 -","- C80 H88 Cu4 Eu4 N20 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.037","0.0302","","","0.0775","0.0817","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100949","8.611","0.003","13.814","0.005","21.244","0.006","90","","90","","90","","2527","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Tb -","- C20 H22 Cu N5 O13 Tb -","- C80 H88 Cu4 N20 O52 Tb4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0393","0.0289","","","0.067","0.0809","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100950","8.587","0.0003","13.758","0.0005","21.1665","0.0007","90","","90","","90","","2500.61","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu Dy N5 O13 -","- C20 H22 Cu Dy N5 O13 -","- C80 H88 Cu4 Dy4 N20 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0264","0.0205","","","0.0441","0.0452","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100951","8.583","0.003","13.749","0.003","21.191","0.003","90","","90","","90","","2500.7","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu Ho N5 O13 -","- C20 H22 Cu Ho N5 O13 -","- C80 H88 Cu4 Ho4 N20 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0723","0.0456","","","0.1003","0.1152","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100952","8.566","0.003","13.735","0.003","21.1786","0.0019","90","","90","","90","","2491.7","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Tm -","- C20 H22 Cu N5 O13 Tm -","- C80 H88 Cu4 N20 O52 Tm4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0468","0.0306","","","0.07","0.0803","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100953","8.576","0.003","13.705","0.003","21.114","0.003","90","","90","","90","","2481.6","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Yb -","- C20 H22 Cu N5 O13 Yb -","- C80 H88 Cu4 N20 O52 Yb4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0518","0.0447","","","0.1137","0.1332","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100954","8.6323","0.0012","13.822","0.002","21.176","0.003","90","","90","","90","","2526.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Ce N5 Ni O13 -","- C20 H22 Ce N5 Ni O13 -","- C80 H88 Ce4 N20 Ni4 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0292","0.025","","","0.0659","0.0707","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100955","8.6215","0.0015","13.776","0.004","21.179","0.003","90","","90","","90","","2515.4","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N5 Nd Ni O13 -","- C20 H22 N5 Nd Ni O13 -","- C80 H88 N20 Nd4 Ni4 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0389","0.029","","","0.0689","0.0762","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100956","8.617","0.004","21.215","0.003","13.754","0.003","90","","90","","90","","2514.4","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Eu N5 Ni O13 -","- C20 H22 Eu N5 Ni O13 -","- C80 H88 Eu4 N20 Ni4 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0327","0.0277","","","0.0744","0.0796","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100957","8.607","0.003","21.24","0.004","13.742","0.003","90","","90","","90","","2512.2","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N5 Ni O13 Tb -","- C20 H22 N5 Ni O13 Tb -","- C80 H88 N20 Ni4 O52 Tb4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0316","0.0265","","","0.0659","0.0698","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100958","8.601","0.004","13.71","0.004","21.252","0.005","90","","90","","90","","2506","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Er N5 Ni O13 -","- C20 H22 Er N5 Ni O13 -","- C80 H88 Er4 N20 Ni4 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0331","0.0253","","","0.0607","0.0705","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100959","9.4702","0.0005","13.8619","0.0008","18.8839","0.0011","90","","97.916","0.001","90","","2455.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Fe P2 -","- C24 H40 Fe P2 -","- C96 H160 Fe4 P8 -","4","1","","Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik","Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes","Inorganic Chemistry","2005","44","","3103","3111","10.1021/ic048202+","","","0.71073","MoKα","","0.1064","0.0543","","","0.1162","0.1362","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100960","10.6501","0.0007","9.2391","0.0006","18.165","0.0012","90","0.0018","106.95","0.0018","90","0.0019","1709.74","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 Fe P2 -","- C38 H52 Fe P2 -","- C76 H104 Fe2 P4 -","2","0.5","","Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik","Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes","Inorganic Chemistry","2005","44","","3103","3111","10.1021/ic048202+","","","0.71073","MoKα","","0.0904","0.0494","","","0.0972","0.1103","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100961","17.9931","0.0005","15.2837","0.0004","20.2132","0.0006","90","","90","","90","","5558.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H46 Fe P2 -","- C28 H46 Fe P2 -","- C224 H368 Fe8 P16 -","8","1","","Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik","Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes","Inorganic Chemistry","2005","44","","3103","3111","10.1021/ic048202+","","","0.71073","MoKα","","0.0536","0.036","","","0.0799","0.0881","","","","","","1.054","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100962","12.114","0.0005","13.1394","0.0006","19.0367","0.0009","90","","91.137","0.001","90","","3029.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl Fe P2 -","- C35 H35 Cl Fe P2 -","- C140 H140 Cl4 Fe4 P8 -","4","1","","Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik","Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes","Inorganic Chemistry","2005","44","","3103","3111","10.1021/ic048202+","","","0.71073","MoKα","","0.1125","0.0536","","","0.1007","0.1183","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100963","10.6719","0.0013","14.4951","0.0017","11.6623","0.0014","90","","103.629","0.003","90","","1753.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Cl10 Fe P2 -","- C32 H30 Cl10 Fe P2 -","- C64 H60 Cl20 Fe2 P4 -","2","0.5","","Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik","Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes","Inorganic Chemistry","2005","44","","3103","3111","10.1021/ic048202+","","","0.71073","MoKα","","0.0899","0.0491","","","0.0898","0.101","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100964","11.643","0.006","11.702","0.006","17.89","0.009","72.939","0.011","74.285","0.009","70.911","0.019","2160.4","1.9","112","2","112","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cl4 Mn4 N6 O14 -","- C36 H36 Cl4 Mn4 N6 O14 -","- C72 H72 Cl8 Mn8 N12 O28 -","2","1","","Jae Yoo; Wolfgang Wernsdorfer; En-Che Yang; Motohiro Nakano; Arnold L. Rheingold; David N. Hendrickson","One-Dimensional Chain of Tetranuclear Manganese Single-Molecule Magnets","Inorganic Chemistry","2005","44","","3377","3379","10.1021/ic048212a","","","0.71073","MoKα","","0.167","0.1055","","","0.2148","0.232","","","","","","1.586","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1100965","12.7724","0.0004","14.3104","0.0007","15.4164","0.0006","70.926","0.013","65.352","0.011","88.35","0.02","2401.4","0.4","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cu2 N2 P2 S4 W -","- C50 H40 Cu2 N2 P2 S4 W -","- C100 H80 Cu4 N4 P4 S8 W2 -","2","1","","Jian-Ping Lang; Chang-Mei Jiao; Shan-Bao Qiao; Wen-Hua Zhang; Brendan F. Abrahams","Acetic Acid Induced Self-Assembly of Supramolecular Compounds [Et4N]3[(WS4Cu2)2(μ-CN)3].2MeCN and [PPh4][WS4Cu3(μ-CN)2].MeCN from Preformed Clusters [A]2[WS4(CuCN)2] (A = Et4N, PPh4)","Inorganic Chemistry","2005","44","","3664","3668","10.1021/ic048224w","","","0.7107","MoKα","","","0.055","","","","0.07","","","","","","1.054","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100966","10.078","0.004","18.958","0.007","13.535","0.005","90","","101.785","0.004","90","","2531.5","1.7","193.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H66 Cu4 N8 S8 W2 -","- C15.5 H23 Cu2 N4 S4 W -","- C62 H92 Cu8 N16 S16 W4 -","4","1","","Jian-Ping Lang; Chang-Mei Jiao; Shan-Bao Qiao; Wen-Hua Zhang; Brendan F. Abrahams","Acetic Acid Induced Self-Assembly of Supramolecular Compounds [Et4N]3[(WS4Cu2)2(μ-CN)3].2MeCN and [PPh4][WS4Cu3(μ-CN)2].MeCN from Preformed Clusters [A]2[WS4(CuCN)2] (A = Et4N, PPh4)","Inorganic Chemistry","2005","44","","3664","3668","10.1021/ic048224w","","","0.7107","MoKα","","","0.038","","","","0.05","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100967","30.344","0.003","10.3195","0.0007","26.17","0.003","90","","128.202","0.003","90","","6439.7","1.1","193.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 Cu6 N6 P2 S8 W2 -","- C55.96 H16 Cu6 N6 P2 S8 W2 -","- C223.84 H64 Cu24 N24 P8 S32 W8 -","4","0.5","","Jian-Ping Lang; Chang-Mei Jiao; Shan-Bao Qiao; Wen-Hua Zhang; Brendan F. Abrahams","Acetic Acid Induced Self-Assembly of Supramolecular Compounds [Et4N]3[(WS4Cu2)2(μ-CN)3].2MeCN and [PPh4][WS4Cu3(μ-CN)2].MeCN from Preformed Clusters [A]2[WS4(CuCN)2] (A = Et4N, PPh4)","Inorganic Chemistry","2005","44","","3664","3668","10.1021/ic048224w","","","0.7107","MoKα","","","0.047","","","","0.057","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100968","22.608","0.002","6.6669","0.0007","15.527","0.002","90","","125.015","0.002","90","","1916.7","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 O12 Sn2 -","- C12 H24 O12 Sn2 -","- C48 H96 O48 Sn8 -","4","0.5","","Corrado Di Nicola; Agustin Galindo; John V. Hanna; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Eleonora Rivarola; Brian W. Skelton; Allan H. White","Synthesis and Spectroscopic and X-ray Structural Characterization of R2SnIV-Oxydiacetate and -Iminodiacetate Complexes","Inorganic Chemistry","2005","44","","3094","3102","10.1021/ic048240t","","","0.71073","MoKα","","0.027","0.024","","0.045","","0.043","","","1.101","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1100969","8.137","0.001","17.648","0.003","14.085","0.002","90","","98.296","0.004","90","","2001.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Cl2 O7 Sn2 -","- C12 H24 Cl2 O7 Sn2 -","- C48 H96 Cl8 O28 Sn8 -","4","1","","Corrado Di Nicola; Agustin Galindo; John V. Hanna; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Eleonora Rivarola; Brian W. Skelton; Allan H. White","Synthesis and Spectroscopic and X-ray Structural Characterization of R2SnIV-Oxydiacetate and -Iminodiacetate Complexes","Inorganic Chemistry","2005","44","","3094","3102","10.1021/ic048240t","","","0.71073","MoKα","","0.07","0.058","","0.097","","0.09","","","1.151","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1100970","10.6103","0.0007","6.7816","0.0005","15.501","0.001","90","","107.231","0.001","90","","1065.31","0.13","150","","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 N O5 Sn -","- C7 H15 N O5 Sn -","- C28 H60 N4 O20 Sn4 -","4","1","","Corrado Di Nicola; Agustin Galindo; John V. Hanna; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Eleonora Rivarola; Brian W. Skelton; Allan H. White","Synthesis and Spectroscopic and X-ray Structural Characterization of R2SnIV-Oxydiacetate and -Iminodiacetate Complexes","Inorganic Chemistry","2005","44","","3094","3102","10.1021/ic048240t","","","0.71073","MoKα","","0.044","0.034","","0.05","","0.047","","","1.1","","","1.131","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1100971","5.787","0.002","8.807","0.003","6.41","0.002","90","","90","","90","","326.69","0.19","293","1","293","1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cu Mn O4 V -","- Cu Mn O4 V -","- Cu4 Mn4 O16 V4 -","4","0.25","","Hamdi Ben Yahia; Etienne Gaudin; Jacques Darriet; Michael Banks; Reinhard K. Kremer; Antoine Villesuzanne; Myung-Hwan Whangbo","Synthesis, Crystal Structure, Magnetic Properties, and Electronic Structure of the New Ternary Vanadate CuMnVO4","Inorganic Chemistry","2005","44","","3087","3093","10.1021/ic048244y","","","0.71069","MoKα","","0.0356","0.0356","","","0.1091","0.1091","","","","1.71","1.71","1.71","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100972","6.6475","0.0006","9.5474","0.0009","9.883","0.001","94.11","0.002","99.429","0.002","104.141","0.002","595.91","0.1","293","","293","","","","","","","","","4","P -1","-P 1","2","hydrazinium/hydrazine tin(IV) selenide","hydrazinium/hydrazine tin(IV) selenide","","- H32 N14 Se6 Sn2 -","- H32 N14 Se6 Sn2 -","- H32 N14 Se6 Sn2 -","1","0.5","","David B. Mitzi","Synthesis, Structure, and Thermal Properties of Soluble Hydrazinium Germanium(IV) and Tin(IV) Selenide Salts","Inorganic Chemistry","2005","44","","3755","3761","10.1021/ic048276l","","x-ray","0.7093","MolybdenumKα","","0.023","0.023","","0.028","0.028","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100973","12.708","0.0012","12.708","0.0012","21.9553","0.002","90","","90","","90","","3545.6","0.6","293","","293","","","","","","","","","4","I 41 c d","I 4bw -2c","110","hydrazinium germanium(IV) selenide","hydrazinium germanium(IV) selenide","","- Ge2 H20 N8 Se6 -","- Ge2 H20 N8 Se6 -","- Ge16 H160 N64 Se48 -","8","0.5","","David B. Mitzi","Synthesis, Structure, and Thermal Properties of Soluble Hydrazinium Germanium(IV) and Tin(IV) Selenide Salts","Inorganic Chemistry","2005","44","","3755","3761","10.1021/ic048276l","","x-ray","0.7093","MolybdenumKα","","0.019","0.019","","0.027","0.027","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100974","15.816","0.003","8.9899","0.0017","11.474","0.002","90","","117.899","0.003","90","","1441.8","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[ZnCl4][H2Me2biim]","","","- C8 H12 Cl4 N4 Zn -","- C8 H10 Cl4 N4 Zn -","- C32 H40 Cl16 N16 Zn4 -","4","0.5","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0813","0.0613","","","0.1299","0.1384","","","","","","1.633","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100975","11.747","0.003","13.566","0.004","14.367","0.004","90","","90","","90","","2289.5","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Zn2Cl4(Me2biim)2]","","","- C16 H20 Cl4 N8 Zn2 -","- C16 H20 Cl4 N8 Zn2 -","- C64 H80 Cl16 N32 Zn8 -","4","0.5","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0453","0.0414","","","0.1409","0.1452","","","","","","1.137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100976","8.5217","0.0012","5.1528","0.0008","13.719","0.002","90","","97.24","0.003","90","","597.61","0.15","273","2","273","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H10 Cd Cl2 N4 -","- C8 H10 Cd Cl2 N4 -","- C16 H20 Cd2 Cl4 N8 -","2","1","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0513","0.0443","","","0.1243","0.1358","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100977","30.503","0.005","4.8598","0.0009","16.322","0.003","90","","90","","90","","2419.5","0.7","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","[CdBr2(N,N'-dimethylbiimidazole)]n","","","- C8 H10 Br2 Cd N4 O0 -","- C8 H10 Br2 Cd N4 -","- C64 H80 Br16 Cd8 N32 -","8","0.5","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0978","0.0861","","","0.2436","0.2717","","","","","","1.512","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100978","5.3546","0.0012","15.7642","0.0008","15.773","0.002","90","","96.989","0.003","90","","1321.5","0.3","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","[CdI2(N,N'-dimethylbiimidazole)]n","","","- C8 H10 Cd I2 N4 -","- C8 H10 Cd I2 N4 -","- C32 H40 Cd4 I8 N16 -","4","1","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.1072","0.079","","","0.1394","0.1528","","","","","","1.813","","","","has coordinates","198386","2020-10-21","18:00:00",""
"1100979","9.857","0.0001","12.1339","0.0003","16.911","0.0004","82.535","0.001","86.419","0.001","68.443","0.001","1864.96","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","[Zn2(Me2biim)3][NO3]4","","","- C24 H36 N16 O15 Zn2 -","- C24 H30 N16 O15 Zn2 -","- C48 H60 N32 O30 Zn4 -","2","1","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.1371","0.0999","","","0.165","0.1775","","","","","","2.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100980","13.681","0.003","15.381","0.004","21.74","0.005","77.647","0.005","79.185","0.005","86.666","0.007","4388.6","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Cd3(Mebiim)8][ClO4]12","","","- C64 H86 Cd3 Cl6 N32 O27 -","- C64 H80 Cd3 Cl6 N32 O27.1 -","- C128 H160 Cd6 Cl12 N64 O54.2 -","2","1","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0799","0.0632","","","0.1599","0.1725","","","","","","1.231","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100981","21.5769","0.0006","13.2251","0.0003","30.9126","0.0008","90","","95.586","0.005","90","","8779.2","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 B F10 N2 O2 Pd -","- C42 H48 B F10 N2 O2 Pd -","- C336 H384 B8 F80 N16 O16 Pd8 -","8","1","","Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt","Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States","Inorganic Chemistry","2005","44","","3709","3717","10.1021/ic048292i","","","0.71073","MoKα","","0.0668","0.0482","","","0.0819","0.087","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100982","10.1173","0.0006","10.4874","0.0006","12.6206","0.0006","67.012","0.005","73.738","0.005","88.769","0.005","1177.57","0.13","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C52 H58 Co F6 N2 O2 Pd -","- C52 H58 Co F6 N2 O2 Pd -","- C52 H58 Co F6 N2 O2 Pd -","1","1","","Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt","Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States","Inorganic Chemistry","2005","44","","3709","3717","10.1021/ic048292i","","","0.71073","MoKα","","0.0308","0.03","","","0.0736","0.0742","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100983","13.5833","0.0005","16.8101","0.0007","18.3743","0.0007","78.548","0.005","72.946","0.005","78.209","0.005","3883.1","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C43.33 H51.33 B2.67 Cl2.67 F16.67 N2 O2 Pd -","- C43.3333 H51.3333 B2.66667 Cl2.66667 F16.6667 N2 O2 Pd -","- C130 H154 B8 Cl8 F50 N6 O6 Pd3 -","3","1.5","","Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt","Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States","Inorganic Chemistry","2005","44","","3709","3717","10.1021/ic048292i","","","0.71073","MoKα","","0.0675","0.0568","","","0.1331","0.1401","","","","","","1.128","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100984","12.8217","0.0003","15.1119","0.0003","13.2926","0.0003","90","","98.21","0.005","90","","2549.18","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cl6 F6 N2 Ni O10 -","- C44 H52 Cl6 F6 N2 Ni O10 -","- C88 H104 Cl12 F12 N4 Ni2 O20 -","2","0.5","","Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt","Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States","Inorganic Chemistry","2005","44","","3709","3717","10.1021/ic048292i","","","0.71073","MoKα","","0.0592","0.0423","","","0.0984","0.1071","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100985","13.984","0.001","12.722","0.002","8.024","0.002","90","","90","","90","","1427.5","0.4","299.2","","299.2","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12.4 O2 -","- C20 H8 O2 -","- C80 H32 O8 -","4","0.5","","Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao","Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties","Journal of Molecular Structure","2005","737","1","1","6","10.1016/j.molstruc.2004.10.002","","","0.71073","MoKα","","0.1592","0.0882","","","0.2639","0.2835","","","","","","1.075","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100989","8.315","0.007","7.046","0.006","9.099","0.008","90","","107.483","0.017","90","","508.4","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-ethylurea","","","- C3 H8 N2 O -","- C3 H8 N2 O -","- C12 H32 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1562","0.0856","","","0.204","0.2321","","","","","","0.942","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100991","13.092","0.003","7.247","0.0018","9.288","0.002","90","","103.348","0.004","90","","857.4","0.4","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,4-diureidoalkane","","","- C6 H14 N4 O2 -","- C6 H14 N4 O2 -","- C24 H56 N16 O8 -","4","0.5","","Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao","Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH‒(CH~2~)n‒NH(CO)NH~2~ with n=4 and 5","Journal of Molecular Structure","2005","752","1-3","93","97","10.1016/j.molstruc.2005.05.042","","","0.71073","MoKα","","0.062","0.0448","","","0.1072","0.1168","","","","","","1.136","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100992","4.6629","0.0015","5.7364","0.0019","25.863","0.008","90","","94.627","0.005","90","","689.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-butylurea","","","- C5 H12 N2 O -","- C5 H12 N2 O -","- C20 H48 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.0652","0.0489","","","0.132","0.1412","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100994","8.2002","0.0014","13.084","0.002","9.2354","0.0015","90","","90","","90","","990.8","0.3","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","1,5-diureidoalkane","","","- C7 H16 N4 O2 -","- C7 H16 N4 O2 -","- C28 H64 N16 O8 -","4","0.5","","Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao","Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH–(CH~2~)n–NH(CO)NH~2~ with n=4 and 5","Journal of Molecular Structure","2005","752","1-3","93","97","10.1016/j.molstruc.2005.05.042","","","0.71073","MoKα","","0.0524","0.0393","","","0.1057","0.1163","","","","","","1.049","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100995","13.026","0.003","7.2083","0.0016","9.277","0.002","90","","110.861","0.003","90","","813.9","0.3","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-pentylurea","","","- C6 H14 N2 O -","- C6 H14 N2 O -","- C24 H56 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1071","0.049","","","0.1089","0.1241","","","","","","0.829","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100996","12.976","0.003","7.4298","0.0016","9.287","0.002","90","","92.73","0.004","90","","894.4","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-hexylurea","","","- C7 H16 N2 O -","- C7 H16 N2 O -","- C28 H64 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.089","0.0529","","","0.1273","0.1424","","","","","","0.897","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100998","14.407","0.004","7.529","0.0018","9.318","0.002","90","","102.426","0.004","90","","987.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-heptylurea","","","- C8 H18 N2 O -","- C8 H18 N2 O -","- C32 H72 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1446","0.0786","","","0.1945","0.2253","","","","","","0.897","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101000","16.407","0.018","7.558","0.009","9.321","0.011","90","","93.17","0.03","90","","1154","2","360","2","360","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-octylurea","","","- C9 H20 N2 O -","- C9 H15 N2 O -","- C36 H60 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.2218","0.1206","","","0.2751","0.3131","","","","","","0.781","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101001","32.02","0.006","7.4123","0.0014","9.3147","0.0017","90","","97.939","0.004","90","","2189.6","0.7","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","n-octylurea","","","- C9 H20 N2 O -","- C9 H20 N2 O -","- C72 H160 N16 O8 -","8","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.093","0.0607","","","0.1587","0.1725","","","","","","0.955","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101002","17.774","0.004","7.4623","0.0016","9.264","0.002","90","","103.726","0.004","90","","1193.7","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-nonylurea","","","- C10 H22 N2 O -","- C10 H22 N2 O -","- C40 H88 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1056","0.0566","","","0.1357","0.1549","","","","","","0.856","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101004","18.336","0.004","7.5383","0.0015","9.2943","0.0019","90","","94.584","0.004","90","","1280.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-decylurea","","","- C11 H24 N2 O -","- C11 H24 N2 O -","- C44 H96 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.131","0.0474","","","0.0968","0.1126","","","","","","0.786","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101005","18.007","0.004","7.5233","0.0015","9.2731","0.0018","90","","96.371","0.004","90","","1248.5","0.4","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-decylurea","","","- C11 H24 N2 O -","- C11 H24 N2 O -","- C44 H96 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1258","0.0517","","","0.1201","0.1425","","","","","","0.754","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101007","19.617","0.003","7.5941","0.0013","9.3394","0.0016","90","","97.54","0.003","90","","1379.3","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-undecylurea","","","- C12 H26 N2 O -","- C12 H26 N2 O -","- C48 H104 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.0838","0.06","","","0.164","0.1767","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101008","42.43","0.01","7.5982","0.0018","9.295","0.002","90","","95.624","0.004","90","","2982.3","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","n-dodecylurea","","","- C13 H28 N2 O -","- C13 H28 N2 O -","- C104 H224 N16 O8 -","8","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1497","0.0563","","","0.1178","0.1392","","","","","","0.905","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101009","21.1","0.009","7.364","0.003","9.2","0.004","90","","95.085","0.008","90","","1423.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-dodecylurea","","","- C13 H28 N2 O -","- C13 H28 N2 O -","- C52 H112 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1762","0.0793","","","0.1874","0.2223","","","","","","0.845","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101010","23.124","0.008","7.542","0.002","9.299","0.003","90","","99.751","0.007","90","","1598.3","0.9","314","2","314","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tridecylurea","","","- C14 H30 N2 O -","- C14 H30 N2 O -","- C56 H120 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.2381","0.069","","","0.1585","0.2057","","","","","","0.687","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101011","22.936","0.005","7.4127","0.0016","9.314","0.002","90","","99.29","0.004","90","","1562.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tridecylurea","","","- C14 H30 N2 O -","- C14 H30 N2 O -","- C56 H120 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1381","0.0729","","","0.1601","0.1827","","","","","","0.883","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101012","21.986","0.01","7.405","0.003","9.313","0.004","90","","93.909","0.008","90","","1512.7","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tridecylurea","","","- C14 H30 N2 O -","- C14 H30 N2 O -","- C56 H120 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1411","0.0801","","","0.2073","0.2288","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101013","23.601","0.007","7.639","0.002","9.326","0.003","90","","94.882","0.006","90","","1675.4","0.9","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tetradecylurea","","","- C15 H32 N2 O -","- C15 H32 N2 O -","- C60 H128 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1789","0.0583","","","0.1353","0.166","","","","","","0.831","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101014","23.257","0.006","7.4723","0.0019","9.269","0.002","90","","90.332","0.005","90","","1610.8","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tetradecylurea","","","- C15 H32 N2 O -","- C15 H32 N2 O -","- C60 H128 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1301","0.0602","","","0.1349","0.1587","","","","","","0.882","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101015","6.844","0.002","6.933","0.002","9.339","0.002","76.617","0.003","84.188","0.007","74.51","0.008","415.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","cobalt molybdate hydrate","","","- Co4 H6 Mo4 O19 -","- Co4 Mo4 O19 -","- Co4 Mo4 O19 -","1","0.5","","Eda, Kazuo; Uno, Yuichi; Nagai, Noriko; Sotani, Noriyuki; Whittingham, M. Stanley","Crystal structure of cobalt molybdate hydrate CoMoO~4~·nH2O","Journal of Solid State Chemistry","2005","178","9","2791","2797","10.1016/j.jssc.2005.06.014","","","0.71073","MoKα","","0.0888","0.0683","","","0.1634","0.1707","","","","","","0.984","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1101017","6.3067","0.0004","7.782","0.0005","12.7658","0.0008","100.043","0.001","91.562","0.001","107.339","0.001","586.8","0.06","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H32 Cl2 Co2 N8 O6 S4 -","- C8 H32 Cl2 Co2 N8 O6 S4 -","- C8 H32 Cl2 Co2 N8 O6 S4 -","1","0.5","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas","","Journal of Coordination Chemistry","2005","58","","1099","1104","10.1080/00958970500138355","","","0.71073","MoKα","","0.0203","0.0199","","","0.0537","0.0539","","","","","","1.082","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101052","11.0481","0.0005","18.27","0.0008","21.386","0.0009","65.966","0.001","83.287","0.001","86.043","0.001","3914.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H72 N40 Ni9 O42 -","- C40 H30 N40 Ni9 O42 -","- C80 H60 N80 Ni18 O84 -","2","1","","Sawsan Salameh; Mohammad Abul-Haj; Miguel Quirós; Juan M. Salas","","European Journal of Inorganic Chemistry","2005","","","2779","2782","","","","0.71073","MoKα","","0.1142","0.0808","","","0.2202","0.2454","","","","","","1.006","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101055","27.864","0.003","27.864","0.003","12.983","0.0017","90","","90","","120","","8729.7","1.6","293","2","293","2","","","","","","","","3","P 63","P 6c","173","triptycenehydroquinone (TPHQ)","","","- C20 H14 O2 -","- C20 H14 O2 -","- C480 H336 O48 -","24","4","","Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao","Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties","Journal of Molecular Structure","2005","737","1","1","6","10.1016/j.molstruc.2004.10.002","","","0.71073","MoKα","","0.2565","0.1194","","","0.2649","0.3423","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101062","5.4931","0.0012","15.038","0.003","5.6511","0.0011","90","","90","","90","","466.81","0.17","1100","","1100","","","","","","","","","3","Imma(00\g)s00","","","","","","- Ca2 Fe2 O5 -","- Ca2 Fe3 O6 -","- Ca8 Fe12 O24 -","4","","SN5023","Krüger, Hannes; Kahlenberg, Volker","Incommensurately modulated ordering of tetrahedral chains in Ca~2~Fe~2~O~5~ at elevated temperatures","Acta Crystallographica Section B","2005","61","06","656","662","10.1107/S0108768105026480","","","0.71073","MoKα","","0.0667","0.053","","","0.0535","0.055","","","","3.15","3.15","2.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101077","8.2437","0.0002","8.2437","0.0002","8.2437","0.0002","90","","90","","90","","560.23","0.02","295","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Li O4 V2 -","- Li O4 V2 -","- Li8 O32 V16 -","8","0.0416667","MG6039","Matsushita, Yoshitaka; Yamaura, Jun-Ichi; Ueda, Yutaka","Lithium divanadate spinel, LiV~2~O~4~","Acta Crystallographica, Section E","2005","61","8","i137","i139","10.1107/S1600536805020155","","","0.71073","MoKα","","","0.0261","","","","0.0762","","","","","","0.845","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1101079","4.9038","0.0005","23.481","0.003","15.392","0.002","90","","90.14","0.01","90","","1772.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Na6 O19 Si8 -","- Na6 O19 Si8 -","- Na24 O76 Si32 -","4","1","","Kruger, Hannes; Kahlenberg, Volker; Kaindl, R.","Structural studies on Na6Si8O19 - a monophyllosilicate with a new type of layered silicate anion","Solid State Sciences","2005","7","","1390","1396","10.1016/j.solidstatesciences.2005.08.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101094","13.4973","0.0009","7.4289","0.0005","12.1669","0.0008","90","","109.511","0.001","90","","1149.92","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- B Cl2 Co F4 H18 N6 -","- B Cl2 Co F4 H18 N6 -","- B4 Cl8 Co4 F16 H72 N24 -","4","1","","Raj Pal Sharma; Ritu Bala; Rajni Sharma; Paloth Venugopalan; Juan M. Salas; Miguel Quirós","Second sphere coordination in anion binding: Synthesis, spectroscopic characterization and single crystal X-ray structure determination of hexaamminecobalt(III) dichloride tetrafluoroborate","Journal of Fluorine Chemistry","2005","126","","1543","1548","10.1016/j.jfluchem.2005.09.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101098","39.54","0.05","8.72","0.01","22.89","0.03","90","","95.26","0.1","90","","7859","17","293","2","293","2","","","101.3","","","","","4","C 1 2 1","C 2y","5","3',5'-di-O-acetyl-N(4)-hydroxy-2'-deoxycytidine","","","- C65 H85 N15 O35 -","- C65 H85 N15 O35 -","- C260 H340 N60 O140 -","4","1","","Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech","","Struct. Chem.","2005","","","541","549","10.1007/s11224-005-6058-9","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1101099","21.72","0.03","8.72","0.01","8.61","0.01","90","","90.42","0.1","90","","1631","3","293","2","293","2","","","101.3","","","","","5","C 1 2 1","C 2y","5","3',5'-di-O-acetyl-N(4)-hydroxy-5-fluoro-2'-deoxycytidine","","","- C13 H16 F N3 O7 -","- C13 H16 F N3 O7 -","- C52 H64 F4 N12 O28 -","4","1","","Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech","","Struct. Chem.","2005","","","541","549","10.1007/s11224-005-6058-9","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1101116","5.3361","0.0001","9.8298","0.0002","7.3271","0.0001","90","","109.911","0.001","90","","361.4","0.1","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","Calcium Pentafluoroaluminate","","","- Al Ca F5 -","- Al Ca F5 -","- Al4 Ca4 F20 -","4","1","","Body, M.; Silly, G.; Legein, C.; Buzaré, J.-Y.; Calvayrac, F.; Blaha, P.","Structural investigations of β-CaAlF5 by coupling powder XRD, NMR, EPR and spectroscopic parameter calculations","Journal of Solid State Chemistry","2005","178","12","3655","3643","10.1016/j.jssc.2005.09.021","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1101118","14.4479","0.0009","22.195","0.002","17.12","0.0011","90","","97.126","0.005","90","","5447.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H55 Cd Cl2 N18 O18.5 -","- C42 H50 Cd Cl2 N18 O18.5 -","- C168 H200 Cd4 Cl8 N72 O74 -","4","1","","Nuria A. Illán-Cabeza; Rosario A. Vilaplana; Ysmael Álvarez; Khalid Akdi; Sanae Kamah; Francisco Hueso-Ureña; Miguel Quirós; Francisco González-Vílchez; Miguel N. Moreno-Carretero","Synthesis, structure and biological activity of a new and efficient Cd(II)-uracil derivative complex system for cleavage of DNA","JBIC Journal of Biological Inorganic Chemistry","2005","10","8","924","934","10.1007/s00775-005-0045-x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101145","12.8081","0.0004","22.7793","0.0008","21.5383","0.0006","90","","93.278","0.001","90","","6273.7","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H74 Ga N27 O40 -","- C36 H74 Ga N27 O40 -","- C144 H296 Ga4 N108 O160 -","4","1","","Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes","Inorganic Chemistry","2005","44","12","4133","4135","10.1021/ic0502271","","","","","","","","","","","","","","","","","","","","","has coordinates","209435","2020-10-21","18:00:00",""
"1101146","19.9915","0.0002","19.9915","0.0002","18.5028","0.0004","90","","90","","120","","6404.1","0.2","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ga13 H96 N15 O105 -","- Ga13 H72 N15 O105 -","- Ga39 H216 N45 O315 -","3","0.166667","","Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes","Inorganic Chemistry","2005","44","12","4133","4135","10.1021/ic0502271","","","","","","","","","","","","","","","","","","","","","has coordinates","209435","2020-10-21","18:00:00",""
"1101147","18.3313","0.0006","21.136","0.0007","23.2894","0.0008","109.424","0.001","101.987","0.001","109.635","0.001","7478.8","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C123 H311 Ga32 N81 O193 -","- C123 H130 Ga32 N81 O193.12 -","- C123 H130 Ga32 N81 O193.12 -","1","0.5","","Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes","Inorganic Chemistry","2005","44","12","4133","4135","10.1021/ic0502271","","","","","","","","","","","","","","","","","","","","","has coordinates","209435","2020-10-21","18:00:00",""
"1101226","61.594","0.009","15.968","0.002","16.59","0.002","90","","90","","90","","16317","4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H33 N12 O1.5 Zn -","- C48 H30 N12 O1.5 Zn -","- C768 H480 N192 O24 Zn16 -","16","1","","Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue","A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis","Inorganic Chemistry","2005","44","","3618","3625","10.1021/ic0500098","","","0.71073","MoKα","","0.136","0.0636","","","0.1402","0.1693","","","","","","0.795","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1500012","24.778","0.002","30.457","0.002","6.5364","0.0005","90","","90","","90","","4932.8","0.7","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H32 Co2 Cr2 N12 O15 -","- C8 H32 Co2 Cr2 N12 O15 -","- C64 H256 Co16 Cr16 N96 O120 -","8","0.5","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterisation and X-ray structure of [trans-Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~)","Journal of Chemical Crystallography","2005","35","10","769","775","10.1007/s10870-005-3886-9","","","0.71073","MoKα","","0.066","0.0617","","","0.1518","0.155","","","","","","1.094","","","","has coordinates","174896","2020-10-21","18:00:00",""
"1501596","17.1474","0.0004","17.1474","0.0004","5.3885","0.0002","90","","90","","120","","1372.13","0.07","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P -3","-P 3","147","","","","- C24 H30 N3 O10 P -","- C24 H30 N3 O10 P -","- C48 H60 N6 O20 P2 -","2","0.333333","","Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest","Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets","Angew. Chem. Int. Ed.","2005","44","","4021","4025","10.1002/anie.200500198","","","1.54178","CuKα","","0.0773","0.0682","","","0.1984","0.2065","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501597","16.9535","0.0008","16.9535","0.0008","5.2396","0.0003","90","","90","","120","","1304.21","0.11","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -3","-P 3","147","","","","- C21 H24 N3 O10 P -","- C21 H24 N3 O10 P -","- C42 H48 N6 O20 P2 -","2","0.333333","","Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest","Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets","Angew. Chem. Int. Ed.","2005","44","","4021","4025","10.1002/anie.200500198","","","1.54178","CuKα","","0.0841","0.0772","","","0.266","0.2729","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501598","17.4823","0.0008","17.4823","0.0008","5.0683","0.0008","90","","90","","120","","1341.5","0.2","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -3","-P 3","147","","","","- C24 H24 N3 O10 P -","- C24 H24 N3 O10 P -","- C48 H48 N6 O20 P2 -","2","0.333333","","Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest","Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets","Angew. Chem. Int. Ed.","2005","44","","4021","4025","10.1002/anie.200500198","","","1.54178","CuKα","","0.1559","0.0956","","","0.2542","0.2886","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501607","9.627","0.005","4.9751","0.0005","35.2533","0.0005","90","","95.79","0.02","90","","1679.9","0.9","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl N5 -","- C14 H16 Cl N5 -","- C56 H64 Cl4 N20 -","4","1","","Olivier LeBel; Thierry Maris; Hugues Duval; James D. Wuest","A practical guide to arylbiguanides — Synthesis and structural characterization","Can. J. Chem.","2005","83","","615","625","10.1139/v05-093","","","1.54178","CuKα","","0.0652","0.0563","","","0.1784","0.1869","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501608","9.0317","0.0003","6.3945","0.0002","22.5874","0.0008","90","","99.588","0.002","90","","1286.27","0.07","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 c 1","P -2yc","7","","","","- C14 H15 N5 -","- C14 H15 N5 -","- C56 H60 N20 -","4","2","","Olivier LeBel; Thierry Maris; Hugues Duval; James D. Wuest","A practical guide to arylbiguanides — Synthesis and structural characterization","Can. J. Chem.","2005","83","","615","625","10.1139/v05-093","","","1.54178","CuKα","","0.0745","0.0673","","","0.1525","0.1551","","","","","","1.024","","","","has coordinates,has disorder","201954","2020-10-21","18:00:00",""
"1506325","8.4032","0.0003","11.7073","0.0004","10.7526","0.0003","90","","90.529","0.002","90","","1057.78","0.06","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 Cl N2 -","- C9 H17 Cl N2 -","- C36 H68 Cl4 N8 -","4","1","","Andre, M.; Loidl, J.; Laus, G.; Schottenberger, H.; Bentivoglio, G.; Wurst, K.; Ongania, K.-H.","Ionic liquids as advantageous solvents for headspace gas chromatography of compounds with low vapor pressure.","Analytical chemistry","2005","77","2","702","705","10.1021/ac048737k","","","0.71073","MoKα","","0.0368","0.0313","","","0.0845","0.0874","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506326","28.3013","0.0003","28.3013","0.0004","7.1646","0.0005","90","","90","","120","","4969.8","0.4","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H17 Cl N2 -","- C9 H17 Cl N2 -","- C162 H306 Cl18 N36 -","18","1","","Andre, M.; Loidl, J.; Laus, G.; Schottenberger, H.; Bentivoglio, G.; Wurst, K.; Ongania, K.-H.","Ionic liquids as advantageous solvents for headspace gas chromatography of compounds with low vapor pressure.","Analytical chemistry","2005","77","2","702","705","10.1021/ac048737k","","","0.71073","MoKα","","0.0643","0.0553","","","0.1551","0.1605","","","","","","1.081","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506327","7.2693","0.0003","9.9472","0.0004","34.2689","0.0015","90","","90","","90","","2477.96","0.18","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[2(picolylamine-N-acetate)ethyl]-alpha-D-glucofuranosyl rhenium-tricarbonyl","","","- C22 H27 N2 O11 Re -","- C22 H27 N2 O11 Re -","- C88 H108 N8 O44 Re4 -","4","1","","Dumas, Cécile; Petrig, Jeannine; Frei, Luzia; Spingler, Bernhard; Schibli, Roger","Functionalization of Glucose at Position C-3 for Transition Metal Coordination: Organo-Rhenium Complexes with Carbohydrate Skeletons","Bioconjugate Chemistry","2005","16","2","421","","10.1021/bc049744i","","","0.71073","MoKα","","0.0344","0.0304","","","0.0707","0.0721","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506328","8.0008","0.0003","20.5058","0.0005","11.6366","0.0004","90","","90.958","0.002","90","","1908.87","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N7 Re S2 -","- C15 H20 N7 Re S2 -","- C60 H80 N28 Re4 S8 -","4","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0878","0.0768","","0.1368","0.1173","","","","1.097","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506329","8.1375","0.0001","15.0204","0.0001","19.429","","90","","95.29","0.001","90","","2364.66","0.03","150","1","150","1","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C18.5 H15.5 Cl2 N7 O Re S2 -","- C18.5 H15.5 Cl2 N7 O Re S2 -","- C74 H62 Cl8 N28 O4 Re4 S8 -","4","2","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0652","0.0519","","0.1261","0.1163","","","","1.047","1.035","1.035","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506330","8.1062","0.0002","14.6072","0.0002","17.0107","0.0003","82.086","0.001","82.556","0.001","83.238","0.001","1967.96","0.07","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Cl N6 Re S3 -","- C14 H18 Cl N6 Re S3 -","- C56 H72 Cl4 N24 Re4 S12 -","4","2","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0547","0.054","","0.1146","0.1085","","","","1.158","1.175","1.175","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506331","14.7905","0.0005","14.7131","0.0004","8.4637","0.0002","90","","91.068","0.001","90","","1841.5","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl N7 Re S -","- C16 H15 Cl N7 Re S -","- C64 H60 Cl4 N28 Re4 S4 -","4","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0705","0.0596","","0.1387","0.1295","","","","1.071","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506332","10.7229","0.001","15.3323","0.0014","20.6857","0.0019","90","","91.622","0.002","90","","3399.5","0.5","293","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl N16 O Re2 S2 -","- C28 H26 Cl N16 O Re2 S2 -","- C112 H104 Cl4 N64 O4 Re8 S8 -","4","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0882","0.0508","","","0.0813","0.0916","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506333","14.024","0.0008","13.1938","0.0008","13.2801","0.0008","90","","112.906","0.001","90","","2263.5","0.2","91","2","91","2","","","","","","","synthesised by authors, see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C12.5 H14 Cl4 N6 O5 Re -","- C12.5 H14 Cl4 N6 O5 Re -","- C50 H56 Cl16 N24 O20 Re4 -","4","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0756","0.06","","","0.1107","0.1254","","","","","","1.105","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506334","9.3544","0.0009","9.7712","0.0009","15.1811","0.0014","104.631","0.001","100.939","0.001","99.008","0.001","1287.3","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 N8 O4 Re S2 -","- C24 H21 N8 O4 Re S2 -","- C48 H42 N16 O8 Re2 S4 -","2","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.05","0.0473","","","0.103","0.1046","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506335","19.837","0.009","7.084","0.003","14.896","0.007","90","","90","","90","","2093.3","1.6","240","2","240","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Aqua(N-methyliminodipropionato)copper(II) monohydrate","Aqua(N-methyl-N-(2-carboxyethyl)-β-alaninato)copper(II) monohydrate","","- C7 H15 Cu N O6 -","- C7 H15 Cu N O6 -","- C56 H120 Cu8 N8 O48 -","8","2","","Skorik, Yury A.; Gomes, Carlos A. R.; Podberezskaya, Nina V.; Romanenko, Galina V.; Pinto, Luiz F.; Yatluk, Yury G.","Complexation Models ofN-(2-Carboxyethyl)chitosans with Copper(II) Ions","Biomacromolecules","2005","6","1","189","","10.1021/bm049597r","","","0.71073","MoKα","","0.0352","0.0336","","","0.0922","0.0931","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506336","9.9752","0.0011","10.434","0.0012","11.2679","0.0013","90.172","0.003","109.741","0.002","109.322","0.002","1032.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(3-Butyl-2,5-diphenyl-3H-imidazol-4-yl)pyridine","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C50 H52 N4 O2 -","2","1","","Li, Weiwei; Lam, Yulin","A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker","Journal of Combinatorial Chemistry","2005","7","5","644","","10.1021/cc049818x","","","0.71073","MoKα","","0.134","0.0782","","","0.2027","0.2329","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506337","8.7569","0.0006","12.5075","0.0008","12.7422","0.0008","74.569","0.001","86.623","0.001","81.9","0.001","1331.55","0.15","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Phenyl-5-(pyridin-4-yl)-1H-imidazol-1-yl)ethanol","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","2","","Li, Weiwei; Lam, Yulin","A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker","Journal of Combinatorial Chemistry","2005","7","5","644","","10.1021/cc049818x","","","0.71073","MoKα","","0.0745","0.0537","","","0.1368","0.1527","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506338","8.8589","0.0009","9.5619","0.0009","11.5289","0.0011","111.301","0.002","90.111","0.002","115.935","0.002","803.03","0.14","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","N-(2-oxo-1-phenyl-2-pyridin-4-yl-ethyl)benzamide","","- C20 H20 N2 O -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","1","","Li, Weiwei; Lam, Yulin","A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker","Journal of Combinatorial Chemistry","2005","7","5","644","","10.1021/cc049818x","","","0.71073","MoKα","","0.0961","0.0572","","","0.1219","0.1366","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506339","7.706","0.002","10.338","0.003","12.191","0.003","109.742","0.004","95.779","0.005","111.614","0.005","821.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C38 H32 N4 O4 S2 -","2","1","","Le Bas, Marie-Delphine H.; McKinley, Neola F.; Hogan, Anne-Marie L.; O'Shea, Donal F.","Imidazo[5,1-b]thiazol-3-ones/thiazin-4-ones: Synthesis and Reactivity Investigation for Library Generation","Journal of Combinatorial Chemistry","2005","7","4","503","","10.1021/cc050001t","","","0.71073","MoKα","","0.0737","0.0458","","","0.1135","0.1219","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506340","17.164","0.003","8.4372","0.0014","13.333","0.002","90","","99.752","0.004","90","","1902.9","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Benzyl-1-heptyl-1,7-dihydro-purin-6-one","","- C19 H26 N4 O2 -","- C19 H26 N4 O2 -","- C76 H104 N16 O8 -","4","1","","Fu, Han; Lam, Yulin","Traceless Solid-Phase Synthesis of N1,N7-Disubstituted Purines","Journal of Combinatorial Chemistry","2005","7","5","734","","10.1021/cc050058f","","","0.71073","MoKα","","0.0591","0.0465","","","0.1256","0.1345","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506341","11.841","0.012","13.069","0.013","13.905","0.014","74.71","0.02","78.79","0.02","86.66","0.02","2036","4","298","2","273","2","","","","","","","","5","P -1","-P 1","2","","3-(1,7-dibutyl-6-oxo-1,6-dihydro-purin-9-yl)-propionic acid methyl ester salt","","- C17 H27 Br N4 O3 -","- C17 H27 Br N4 O3 -","- C68 H108 Br4 N16 O12 -","4","2","","Fu, Han; Lam, Yulin","Traceless Solid-Phase Synthesis of N1,N7-Disubstituted Purines","Journal of Combinatorial Chemistry","2005","7","5","734","","10.1021/cc050058f","","","0.71073","MoKα","","0.0962","0.0786","","","0.2523","0.2737","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506342","8.9203","0.0018","12.925","0.003","21.104","0.004","90","","90.521","0.003","90","","2433.1","0.9","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 F6 N3 O3 P Re -","- C22 H17 F6 N3 O3 P Re -","- C88 H68 F24 N12 O12 P4 Re4 -","4","1","","Stoyanov, Stanislav R.; Villegas, John M.; Cruz, Arvin J.; Lockyear, Loranelle L.; Reibenspies, Joseph H.; Rillema, D. Paul","Computational and Spectroscopic Studies of Re(I) Bipyridyl Complexes Containing 2,6-Dimethylphenylisocyanide (CNx) Ligand","Journal of Chemical Theory and Computation","2005","1","1","95","","10.1021/ct049956g","","","0.71073","MoKα","","0.0319","0.0279","","","0.0748","0.0868","","","","","","1.184","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506343","7.88","0.0016","6.795","0.0014","8.835","0.0018","90","","115.02","0.03","90","","428.67","0.18","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H1.5 Cl1.5 O1.5 -","- C3 H1.5 Cl1.5 O1.5 -","- C12 H6 Cl6 O6 -","4","1","","Gong, Huijuan; You, Zhen; Xian, Qiming; Shen, Xing; Zou, Huixian; Huan, Fei; Xu, X.","Study on the Structure and Mutagenicity of a New Disinfection Byproduct in Chlorinated Drinking Water","Environmental Science & Technology","2005","39","19","7499","","10.1021/es0505954","","","0.71073","MoKα","","0.0574","0.051","","","0.2205","0.2306","","","","","","2.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506344","6.866","0.001","19.559","0.001","7.04","0.001","90","","97.132","0.002","90","","938.1","0.2","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O5 -","- C19 H29 N O5 -","- C38 H58 N2 O10 -","2","1","","Simoni, Daniele; Rossi, Marcello; Bertolasi, Valerio; Roberti, Marinella; Pizzirani, Daniela; Rondanin, Riccardo; Baruchello, Riccardo; Invidiata, Francesco Paolo; Tolomeo, Manlio; Grimaudo, Stefania; Merighi, Stefania; Varani, Katia; Gessi, Stefania; Borea, Pier Andrea; Marino, Silvia; Cavallini, Sabrina; Bianchi, Clementina; Siniscalchi, Anna","Synthesis and pharmacology of 6-substituted benztropines: discovery of novel dopamine uptake inhibitors possessing low binding affinity to the dopamine transporter.","Journal of medicinal chemistry","2005","48","9","3337","3343","10.1021/jm0490235","","","0.7107","MoKα","","0.091","0.0677","","","0.1719","0.1913","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506345","17.681","0.004","11.082","0.002","16.738","0.003","90","","102.46","0.03","90","","3202.4","1.2","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","trans-[Dichlorotetraindazoleruthenium(III)]chloride methanol disolvate","","- C30 H32 Cl3 N8 O2 Ru -","- C30 H32 Cl3 N8 O2 Ru -","- C120 H128 Cl12 N32 O8 Ru4 -","4","1","","Jakupec, Michael A.; Reisner, Erwin; Eichinger, Anna; Pongratz, Martina; Arion, Vladimir B.; Galanski, Markus; Hartinger, Christian G.; Keppler, Bernhard K.","Redox-active antineoplastic ruthenium complexes with indazole: correlation of in vitro potency and reduction potential.","Journal of medicinal chemistry","2005","48","8","2831","2837","10.1021/jm0490742","","","0.71073","MoKα","","0.0596","0.0424","","","0.0879","0.0947","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506346","10.891","0.002","13.279","0.003","14.399","0.003","65.66","0.03","69.04","0.03","68.36","0.03","1710.8","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","trans-[Dichlorotetraindazoleruthenium(II)]acetone disolvate","","- C34 H36 Cl2 N8 O2 Ru -","- C34 H36 Cl2 N8 O2 Ru -","- C68 H72 Cl4 N16 O4 Ru2 -","2","1","","Jakupec, Michael A.; Reisner, Erwin; Eichinger, Anna; Pongratz, Martina; Arion, Vladimir B.; Galanski, Markus; Hartinger, Christian G.; Keppler, Bernhard K.","Redox-active antineoplastic ruthenium complexes with indazole: correlation of in vitro potency and reduction potential.","Journal of medicinal chemistry","2005","48","8","2831","2837","10.1021/jm0490742","","","0.71073","MoKα","","0.0337","0.026","","","0.0609","0.0642","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506347","10.405","0.002","16.508","0.003","20.85","0.004","90","","90","","90","","3581.3","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6,19-epoxyprogesterone","6,19-epoxypregn-4-ene-3,20-dione","","- C21 H28 O3 -","- C21 H28 O3 -","- C168 H224 O24 -","8","2","","Veleiro, Adriana S.; Pecci, Adali; Monteserín, María C; Baggio, Ricardo; Garland, María T; Lantos, Carlos P.; Burton, Gerardo","6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity.","Journal of medicinal chemistry","2005","48","18","5675","5683","10.1021/jm049266x","","","0.71073","MoKα","","0.141","0.057","","","0.09","0.115","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506348","11.153","0.002","12.65","0.003","12.94","0.004","90","","90","","90","","1825.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6,19-epithioprogesterone","6,19-epithiopregn-4-ene-3,20-dione","","- C21 H28 O2 S -","- C21 H28 O2 S -","- C84 H112 O8 S4 -","4","1","","Veleiro, Adriana S.; Pecci, Adali; Monteserín, María C; Baggio, Ricardo; Garland, María T; Lantos, Carlos P.; Burton, Gerardo","6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity.","Journal of medicinal chemistry","2005","48","18","5675","5683","10.1021/jm049266x","","","0.71073","MoKα","","0.134","0.057","","","0.1","0.127","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506349","13.157","0.003","13.641","0.003","14.205","0.004","90","0","115.98","0.01","90","0","2291.8","1","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-μ O-pyridoxalthiosemicarbazonenitroprussidocopper(II) dihydrate","","- C14 H16 Cu Fe N10 O5 S -","- C14 H16 Cu Fe N10 O6 S -","- C56 H64 Cu4 Fe4 N40 O24 S4 -","4","1","","Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto","Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity.","Journal of medicinal chemistry","2005","48","5","1671","1675","10.1021/jm049529n","","","0.71073","MoKalpha","","0.0479","","","0.16","","","","","0.99","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506350","13.946","0.004","7.163","0.001","18.389","0.005","90","0","93.37","0.02","90","0","1833.8","0.8","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-μ N-nitroprussido-bis(pyridoxalthiosemicarbazonato)copper(II) hexahydrate","","- C23 H34 Cu2 Fe N14 O11 S2 -","- C24 H24 Cu2 Fe N14 O10 S2 -","- C48 H48 Cu4 Fe2 N28 O20 S4 -","2","0.5","","Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto","Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity.","Journal of medicinal chemistry","2005","48","5","1671","1675","10.1021/jm049529n","","","0.71069","MoKalpha","","0.0498","","","1474","","","","","0.89","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506351","15.278","0.003","13.533","0.003","7.977","0.001","84.4","0.01","76.78","0.01","77.22","0.01","1563.9","0.5","","","","","","","","","","","","7","P -1","-P 1","2","","bis-[di(pyridoxalthiosemicarbazonato)cobalt(III)]nitroprusside octahydrate","","- C41 H60 Co2 Fe N22 O17 S4 -","- C42 H44 Co2 Fe N22 O16 S4 -","- C42 H44 Co2 Fe N22 O16 S4 -","1","0.5","","Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto","Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity.","Journal of medicinal chemistry","2005","48","5","1671","1675","10.1021/jm049529n","","","0.71069","MoKalpha","","0.0611","","","0.197","","","","","0.758","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506352","6.413","0.005","13.141","0.009","17.092","0.009","82.02","0.02","86.3","0.02","76.29","0.02","1385.1","1.6","263","2","263","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 N O6 P -","- C28 H38 N O6 P -","- C56 H76 N2 O12 P2 -","2","2","","Albert, Rainer; Hinterding, Klaus; Brinkmann, Volker; Guerini, Danilo; Müller-Hartwieg, Constanze; Knecht, Helmut; Simeon, Corinne; Streiff, Markus; Wagner, Trixie; Welzenbach, Karl; Zécri, Frédéric; Zollinger, Markus; Cooke, Nigel; Francotte, Eric","Novel immunomodulator FTY720 is phosphorylated in rats and humans to form a single stereoisomer. Identification, chemical proof, and biological characterization of the biologically active species and its enantiomer.","Journal of medicinal chemistry","2005","48","16","5373","5377","10.1021/jm050242f","","","1.54178","CuKα","","0.1044","0.0781","","","0.1938","0.2142","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506353","8.8822","0.0007","9.7444","0.0009","12.9675","0.0017","76.306","0.004","72.48","0.006","89.873","0.005","1036.98","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 F4 N O4 -","- C23 H21 F4 N O4 -","- C46 H42 F8 N2 O8 -","2","1","","Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark","Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors.","Journal of medicinal chemistry","2005","48","19","6140","6155","10.1021/jm050452s","","","0.71073","MO-Kα","","0.068","0.046","","","0.117","0.128","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506354","4.1515","0.0005","16.0162","0.0012","14.1406","0.0011","90","","97.411","0.005","90","","932.37","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 I N O2 -","- C9 H8 I N O2 -","- C36 H32 I4 N4 O8 -","4","1","","Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark","Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors.","Journal of medicinal chemistry","2005","48","19","6140","6155","10.1021/jm050452s","","","0.71073","MO-Kα","","0.037","0.029","","","0.071","0.074","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506355","7.7485","0.0008","18.294","0.003","18.356","0.004","90","","92.129","0.011","90","","2600.2","0.8","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis,cis,trans-diamminedichlorodibenzoylplatinum(IV)","","- C22 H32 Cl2 N2 O6 Pt -","- C22 H32 Cl2 N2 O6 Pt -","- C88 H128 Cl8 N8 O24 Pt4 -","4","1","","Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J.","Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake.","Journal of medicinal chemistry","2005","48","25","8060","8069","10.1021/jm0506468","","","0.71073","MoKα","","0.0639","0.0485","","","0.0917","0.1003","","","","","","1.166","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506356","23.951","0.002","7.8455","0.0013","32.732","0.003","90","","110.353","0.008","90","","5766.6","1.2","140","2","140","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","cis,cis,trans-diamminedichlorobis(4-vinylbenzoyl)platinum(IV)","","- C26 H36 Cl2 N2 O6 Pt -","- C26 H36 Cl2 N2 O6 Pt -","- C208 H288 Cl16 N16 O48 Pt8 -","8","1","","Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J.","Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake.","Journal of medicinal chemistry","2005","48","25","8060","8069","10.1021/jm0506468","","","0.71073","MoKα","","0.0703","0.0537","","","0.1116","0.1172","","","","","","1.162","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506357","7.8196","0.0008","12.2969","0.0011","16.4366","0.0015","81.492","0.008","77.063","0.008","88.498","0.007","1523.4","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","cis,cis,trans-diamminedichlorobis(4-cyanobenzoyl)platinum(IV)","","- C24 H30 Cl2 N4 O6 Pt -","- C24 H30 Cl2 N4 O6 Pt -","- C48 H60 Cl4 N8 O12 Pt2 -","2","1","","Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J.","Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake.","Journal of medicinal chemistry","2005","48","25","8060","8069","10.1021/jm0506468","","","0.71073","MoKα","","0.0682","0.0609","","","0.1564","0.1603","","","","","","1.167","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506358","8.9038","0.0007","12.4327","0.0012","12.8543","0.0014","62.59","0.011","82.906","0.008","72.039","0.009","1201.4","0.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","cis,cis,trans-diamminedichlorobis(2-carboxylbenzoyl)platinum(IV)","","- C20 H24 Cl2 N2 O9 Pt -","- C20 H24 Cl2 N2 O9 Pt -","- C40 H48 Cl4 N4 O18 Pt2 -","2","1","","Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J.","Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake.","Journal of medicinal chemistry","2005","48","25","8060","8069","10.1021/jm0506468","","","0.71073","MoKα","","0.0547","0.0516","","","0.1487","0.1502","","","","","","1.182","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506359","15.6681","0.0003","15.6681","0.0003","17.4559","0.0007","90","","90","","120","","3711.12","0.18","154","2","154","2","","","","","","","","4","P 31","P 31","144","Doxoform","","","- C57 H58 N2 O22 -","- C57 H58 N2 O22 -","- C171 H174 N6 O66 -","3","1","","Post, Glen C.; Barthel, Benjamin L.; Burkhart, David J.; Hagadorn, John R.; Koch, Tad H.","Doxazolidine, a proposed active metabolite of doxorubicin that cross-links DNA.","Journal of medicinal chemistry","2005","48","24","7648","7657","10.1021/jm050678v","","","0.71073","MoKα","","0.1732","0.1071","","","0.2781","0.3144","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506360","9.204","0.0002","9.325","0.0002","11.096","0.0003","72.871","0.002","80.424","0.001","71.413","0.001","859.86","0.04","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N -","- C24 H19 N -","- C48 H38 N2 -","2","1","","Ho, Tong-Ing; Elangovan, Arumugasamy; Hsu, Hsien-Yi; Yang, Shu-Wen","Highly fluorescent N,N-dimethylaminophenylethynylarenes: synthesis, photophysical properties, and electrochemiluminescence.","The journal of physical chemistry. B","2005","109","18","8626","8633","10.1021/jp0444518","","","0.71073","MoKα","","0.0582","0.0451","","0.1361","0.1232","","","","1.024","1.069","1.069","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506361","7.4962","0.0002","14.7065","0.0004","19.2131","0.0004","90","","93.091","0.002","90","","2115.03","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5,12-Dibutyl-quinacridone","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","1","","Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming","Supramolecular structures and assembly and luminescent properties of quinacridone derivatives.","The journal of physical chemistry. B","2005","109","16","8008","8016","10.1021/jp0444767","","","0.71073","MoKα","","0.0763","0.0491","","","0.1283","0.1361","","","","","","0.947","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506362","5.0894","0.0001","16.0916","0.0013","15.8959","0.0004","90","","98.732","0.002","90","","1286.73","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dibutyl-tetramethyl-quinacridone","","","- C32 H36 N2 O2 -","- C32 H36 N2 O2 -","- C64 H72 N4 O4 -","2","0.5","","Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming","Supramolecular structures and assembly and luminescent properties of quinacridone derivatives.","The journal of physical chemistry. B","2005","109","16","8008","8016","10.1021/jp0444767","","","0.71073","MoKα","","0.1847","0.0619","","","0.1559","0.1983","","","","","","0.729","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506363","12.5701","0.0008","13.0988","0.0008","16.2767","0.001","93.17","0.001","96.448","0.001","109.387","0.001","2499.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H44 N2 Nd O6.5 -","- C58 H41 N2 Nd O6.5 -","- C116 H82 N4 Nd2 O13 -","2","1","","Sun, Li-Ning; Zhang, Hong-Jie; Meng, Qing-Guo; Liu, Feng-Yi; Fu, Lian-She; Peng, Chun-Yun; Yu, Jiang-Bo; Zheng, Guo-Li; Wang, Shu-Bin","Near-infrared luminescent hybrid materials doped with lanthanide (Ln) complexes (Ln = Nd, Yb) and their possible laser application.","The journal of physical chemistry. B","2005","109","13","6174","6182","10.1021/jp044591h","","","0.71073","MoKα","","0.0791","0.0601","","","0.1452","0.158","","","","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506364","15.5804","0.0016","17.0282","0.0017","17.6621","0.0018","90","","91.779","0.002","90","","4683.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H41 N2 O6 Yb -","- C57 H41 N2 O6 Yb -","- C228 H164 N8 O24 Yb4 -","4","1","","Sun, Li-Ning; Zhang, Hong-Jie; Meng, Qing-Guo; Liu, Feng-Yi; Fu, Lian-She; Peng, Chun-Yun; Yu, Jiang-Bo; Zheng, Guo-Li; Wang, Shu-Bin","Near-infrared luminescent hybrid materials doped with lanthanide (Ln) complexes (Ln = Nd, Yb) and their possible laser application.","The journal of physical chemistry. B","2005","109","13","6174","6182","10.1021/jp044591h","","","0.71073","MoKα","","0.0454","0.033","","","0.0734","0.0798","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506365","6.7331","0.0003","7.8045","0.0003","10.4466","0.0005","94.764","0.002","108.278","0.002","97.433","0.002","512.4","0.04","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","ethylenediammonium 3,5-dinitrobenzoate","","- C8 H8 N3 O6 -","- C8 H8 N3 O6 -","- C16 H16 N6 O12 -","2","1","","Jones, H. P.; Davey, R. J.; Cox, B. G.","Crystallization of a salt of a weak organic acid and base: solubility relations, supersaturation control and polymorphic behavior.","The journal of physical chemistry. B","2005","109","11","5273","5278","10.1021/jp045000q","","x-ray","0.71073","MoKα","","0.0576","0.046","","","0.1274","0.1363","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506366","10.2149","0.0005","12.5025","0.0004","15.0057","0.0006","90","","90","","90","","1916.4","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F6 N2 P -","- C19 H21 F6 N2 P -","- C76 H84 F24 N8 P4 -","4","1","","Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton","Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution.","The journal of physical chemistry. B","2005","109","10","4341","4349","10.1021/jp0452709","","","0.71073","MoKα","","0.0897","0.0436","","","0.0734","0.0814","","","","","","0.883","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506367","8.484","0.005","19.347","0.005","19.586","0.005","90","","90.506","0.005","90","","3215","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H41 B N2 -","- C43 H41 B N2 -","- C172 H164 B4 N8 -","4","2","","Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton","Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution.","The journal of physical chemistry. B","2005","109","10","4341","4349","10.1021/jp0452709","","","0.71069","MoKα","","0.0692","0.0461","","","0.1036","0.1112","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506368","10.7207","0.0003","10.8545","0.0002","15.4841","0.0004","90","","90","","90","","1801.85","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 B F4 N2 -","- C19 H21 B F4 N2 -","- C76 H84 B4 F16 N8 -","4","1","","Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton","Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution.","The journal of physical chemistry. B","2005","109","10","4341","4349","10.1021/jp0452709","","","0.71069","MoKα","","0.053","0.0464","","","0.1166","0.121","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506369","14.107","0.001","14.121","0.001","16.871","0.001","86.52","0.01","72.52","0.01","73.3","0.01","3069.2","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H80 N8 Ni O8 -","- C64 H80 N8 Ni O8 -","- C128 H160 N16 Ni2 O16 -","2","1","","Gunaratne, Tissa C.; Gusev, Alexey V.; Peng, Xinzhan; Rosa, Angela; Ricciardi, Giampaolo; Baerends, Evert Jan; Rizzoli, Corrado; Kenney, Malcolm E.; Rodgers, Michael A. J.","Photophysics of octabutoxy phthalocyaninato-Ni(II) in toluene: ultrafast experiments and DFT/TDDFT studies.","The journal of physical chemistry. A","2005","109","10","2078","2089","10.1021/jp0457444","","","0.71073","MoKα","","0.141","0.0664","","0.2309","","0.1723","","","1.043","","","1.093","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506370","14.77","0.007","20.689","0.009","12.699","0.005","90","","90","","90","","3881","3","233.1","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(1-oxyl-3-oxido-4,4,5,5-tetramethyl-imidazolidin-2-yl)-benzoic acid 2,4-bis-(1-oxyl-3-oxido-4,4,5,5-tetramethyl-imidazolidin-2-yl) -phenyl ester","","- C37 H49 N6 O9 -","- C37 H25 N6 O9 -","- C148 H100 N24 O36 -","4","1","","Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Exchange interaction in covalently bonded biradical-monoradical composite molecules.","The journal of physical chemistry. B","2005","109","8","3303","3309","10.1021/jp046092m","","","0.7107","MoKα","","","0.123","","","","0.21","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506371","10.9367","0.0003","11.2973","0.0003","11.4492","0.0003","110.738","0.001","109.796","0.001","104.578","0.001","1128.32","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H64 N4 O4 P2 Pt -","- C44 H64 N4 O4 P2 Pt -","- C44 H64 N4 O4 P2 Pt -","1","0.5","","Cooper, Thomas M.; Hall, Benjamin C.; McLean, Daniel G.; Rogers, Joy E.; Burke, Aaron R.; Turnbull, Kenneth; Weisner, Andrew; Fratini, Albert; Liu, Yao; Schanze, Kirk S.","Structure-optical property relationships in organometallic sydnones.","The journal of physical chemistry. A","2005","109","6","999","1007","10.1021/jp046806t","","","0.71073","MoKα","","0.0244","0.0244","","","0.0592","0.0593","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506372","6.744","0.002","6.79","0.002","19.472","0.007","90","","95.159","0.006","90","","888","0.5","173","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","urotropine-N-oxide^.^formic acid","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C28 H56 N16 O12 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.","The journal of physical chemistry. A","2005","109","9","1911","1919","10.1021/jp047187r","","","0.71073","MoKα","","0.0377","0.0362","","","0.1011","0.103","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506373","6.7679","0.0019","6.779","0.002","19.487","0.006","90","","95.446","0.005","90","","890","0.5","148","2","148","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","urotropine-N-oxide^.^formic acid","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C28 H56 N16 O12 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.","The journal of physical chemistry. A","2005","109","9","1911","1919","10.1021/jp047187r","","","0.71073","MoKα","","0.0393","0.0349","","","0.099","0.1043","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506374","6.774","0.003","6.803","0.003","19.441","0.009","90","","95.329","0.007","90","","892","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Urotropine-N-oxide^.^Formic Acid","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C28 H56 N16 O12 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.","The journal of physical chemistry. A","2005","109","9","1911","1919","10.1021/jp047187r","","","0.71073","MoKα","","0.0407","0.0365","","","0.099","0.1028","","","","","","1.204","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506375","6.787","0.002","6.802","0.002","19.532","0.007","90","","95.266","0.006","90","","897.9","0.5","198","2","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","urotropine-N-oxide^.^formic acid","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C28 H56 N16 O12 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.","The journal of physical chemistry. A","2005","109","9","1911","1919","10.1021/jp047187r","","","0.71073","MoKα","","0.0386","0.0355","","","0.0992","0.103","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506376","6.831","0.004","6.838","0.004","19.525","0.011","90","","95.482","0.01","90","","907.8","0.9","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","urotropine-N-oxide^.^formic acid","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C28 H56 N16 O12 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.","The journal of physical chemistry. A","2005","109","9","1911","1919","10.1021/jp047187r","","","0.71073","MoKα","","0.0397","0.0367","","","0.1074","0.111","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506377","6.7989","0.0005","6.8226","0.0004","19.4639","0.0013","90","","95.102","0.001","90","","899.28","0.1","248","2","248","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","urotropine-N-oxide^.^formic acid","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C28 H56 N16 O12 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.","The journal of physical chemistry. A","2005","109","9","1911","1919","10.1021/jp047187r","","","0.71073","MoKα","","0.0501","0.0398","","","0.1039","0.1126","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506378","6.8272","0.0013","6.8456","0.0013","19.484","0.004","90","","94.983","0.003","90","","907.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","urotropine-N-oxide^.^formic acid","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C28 H56 N16 O12 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.","The journal of physical chemistry. A","2005","109","9","1911","1919","10.1021/jp047187r","","","0.71073","MoKα","","0.0555","0.0409","","","0.1056","0.1153","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506379","6.726","","6.732","","19.418","","90","","95.391","","90","","875.347","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C28 H56 N16 O12 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.","The journal of physical chemistry. A","2005","109","9","1911","1919","10.1021/jp047187r","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506380","4.0567","0.0012","5.9409","0.0017","30.223","0.009","90","","91.019","0.004","90","","728.3","0.4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-iodobenzoic acid","","- C7 H5 I O2 -","- C7 H5 I O2 -","- C28 H20 I4 O8 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","On the solid state structure of 4-iodobenzoic acid.","The journal of physical chemistry. A","2005","109","11","2586","2593","10.1021/jp047189b","","","0.71073","MoKα","","0.0366","0.0335","","","0.0771","0.0778","","","","","","1.331","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506381","4.0688","0.001","5.9466","0.0015","30.253","0.008","90","","90.982","0.004","90","","731.9","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-iodobenzoic acid","","- C7 H5 I O2 -","- C7 H5 I O2 -","- C28 H20 I4 O8 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","On the solid state structure of 4-iodobenzoic acid.","The journal of physical chemistry. A","2005","109","11","2586","2593","10.1021/jp047189b","","","0.71073","MoKα","","0.0583","0.0574","","","0.1491","0.1495","","","","","","1.452","","","","has coordinates,has disorder","201954","2020-10-21","18:00:00",""
"1506382","4.0778","0.0011","5.9724","0.0017","30.243","0.008","90","","90.893","0.004","90","","736.5","0.3","148","2","148","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-iodobenzoic acid","","- C7 H5 I O2 -","- C7 H5 I O2 -","- C28 H20 I4 O8 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","On the solid state structure of 4-iodobenzoic acid.","The journal of physical chemistry. A","2005","109","11","2586","2593","10.1021/jp047189b","","","0.71073","MoKα","","0.0626","0.0612","","","0.1532","0.1537","","","","","","1.428","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506383","4.096","0.0013","5.9745","0.0019","30.157","0.01","90","","90.852","0.005","90","","737.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-iodobenzoic acid","","- C7 H5 I O2 -","- C7 H5 I O2 -","- C28 H20 I4 O8 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","On the solid state structure of 4-iodobenzoic acid.","The journal of physical chemistry. A","2005","109","11","2586","2593","10.1021/jp047189b","","","0.71073","MoKα","","0.0473","0.0422","","","0.1007","0.1021","","","","","","1.344","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506384","4.1049","0.0006","5.9933","0.0009","30.179","0.005","90","","90.878","0.002","90","","742.4","0.2","198","2","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-iodobenzoic acid","","- C7 H5 I O2 -","- C7 H5 I O2 -","- C28 H20 I4 O8 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","On the solid state structure of 4-iodobenzoic acid.","The journal of physical chemistry. A","2005","109","11","2586","2593","10.1021/jp047189b","","","0.71073","MoKα","","0.0607","0.0549","","","0.1263","0.128","","","","","","1.337","","","","has coordinates,has disorder","201954","2020-10-21","18:00:00",""
"1506385","4.1049","0.0006","5.9933","0.0009","30.179","0.005","90","","90.878","0.002","90","","742.4","0.2","248","2","248","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-iodobenzoic acid","","- C7 H5 I O2 -","- C7 H5 I O2 -","- C28 H20 I4 O8 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","On the solid state structure of 4-iodobenzoic acid.","The journal of physical chemistry. A","2005","109","11","2586","2593","10.1021/jp047189b","","","0.71073","MoKα","","0.046","0.0421","","","0.0982","0.1001","","","","","","0.927","","","","has coordinates,has disorder","201954","2020-10-21","18:00:00",""
"1506386","4.1049","0.0006","5.9933","0.0009","30.179","0.005","90","","90.878","0.002","90","","742.4","0.2","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-iodobenzoic acid","","- C7 H5 I O2 -","- C7 H5 I O2 -","- C28 H20 I4 O8 -","4","1","","Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.","On the solid state structure of 4-iodobenzoic acid.","The journal of physical chemistry. A","2005","109","11","2586","2593","10.1021/jp047189b","","","0.71073","MoKα","","0.0591","0.0507","","","0.1147","0.117","","","","","","1.383","","","","has coordinates,has disorder","201954","2020-10-21","18:00:00",""
"1506387","6.622","0.001","6.622","0.001","18.147","0.003","90","","90","","120","","689.15","0.19","298","2","","","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C6 H6 Au3 N6 O3 Tb -","- C6 H6 Au3 N6 O3 Tb -","- C12 H12 Au6 N12 O6 Tb2 -","2","0.0833333","","Tanner, Peter A.; Zhou, Xianju; Wong, Wing-Tak; Kratzer, Cornelius; Yersin, Hartmut","Structure and spectroscopy of Tb[Au(CN)2]3.3H2O.","The journal of physical chemistry. B","2005","109","27","13083","13090","10.1021/jp047554z","","","0.7107","MoKα","","","0.041","","","","0.045","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506388","36.813","0.003","6.2947","0.0005","7.5555","0.0006","90","","90","","90","","1750.8","0.2","298","2","298","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 -","- C24 H22 -","- C96 H88 -","4","1","","Bhongale, Chetan Jagdish; Chang, Chih-Wei; Lee, Chi-Shen; Diau, Eric Wei-Guang; Hsu, Chain-Shu","Relaxation dynamics and structural characterization of organic nanoparticles with enhanced emission.","The journal of physical chemistry. B","2005","109","28","13472","13482","10.1021/jp0502297","","","0.71073","MoKα","","0.0486","0.043","","","0.1099","0.1186","","","","","","1.102","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506389","12.8203","0.0001","12.18269","0.00009","26.99238","0.00021","90","","91.843","0.0006","90","","4213.64","0.06","","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","dehydrated AlPO4-SOD","","- C3 H7 Al3 N O13 P3 -","- C3 H7 Al3 N O13 P3 -","- C36 H84 Al36 N12 O156 P36 -","12","3","","Paillaud, Jean-Louis; Marichal, Claire; Roux, Mélanie; Baerlocher, Christian; Chézeau, Jean Michel","Tripling of the unit cell volume of the non-centrosymmetric AlPO4-SOD after dehydration: a structural study of a reversible process.","The journal of physical chemistry. B","2005","109","24","11893","11899","10.1021/jp050763e","powder diffraction","x-ray","0.79965","white-beam","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506390","9.4049","0.0007","12.7739","0.001","8.5805","0.0006","90","","112.796","0.007","90","","950.32","0.13","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 Al2 F N O8 P2 -","- C2 H8 Al2 F N O8 P2 -","- C8 H32 Al8 F4 N4 O32 P8 -","4","1","","Paillaud, Jean-Louis; Marichal, Claire; Roux, Mélanie; Baerlocher, Christian; Chézeau, Jean Michel","Tripling of the unit cell volume of the non-centrosymmetric AlPO4-SOD after dehydration: a structural study of a reversible process.","The journal of physical chemistry. B","2005","109","24","11893","11899","10.1021/jp050763e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506391","11.839","0.003","12.637","0.003","12.977","0.003","96.936","0.003","100.902","0.003","114.716","0.004","1687.8","0.7","143.1","","","","","","","","","","","4","P -1","-P 1","2","","1H-Imidazol-1-yloxy-2-(4-carboxyphenyl)-4,5-dihydro-4,4,5,5-tetramethyl- 3-oxide, compd. with 1H-Imidazol-1-yloxy-2,2'-(3,5-pyridinediyl)bis [4,5-dihydro-4,4,5,5-tetramethyl-3,3'-dioxide]","","- C33 H44 N7 O8 -","- C33 H44 N7 O8 -","- C66 H88 N14 O16 -","2","1","","Hayakawa, Kenichi; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Magnetic phase transition in a heteromolecular hydrogen-bonded complex of nitronylnitroxide radicals.","The journal of physical chemistry. B","2005","109","19","9195","9197","10.1021/jp051289f","","","0.7107","MoKα","","","0.07","","","","0.268","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506392","9.878","0.002","9.84","0.002","29.591","0.006","90","","90.29","0.03","90","","2876.2","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H26 S2 Si -","- C36 H24.5 S2 Si -","- C144 H98 S8 Si4 -","4","2","","Chen, Junwu; Xu, Bin; Yang, Kaixia; Cao, Yong; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Photoluminescence spectral reliance on aggregation order of 1,1-Bis(2'-thienyl)-2,3,4,5-tetraphenylsilole.","The journal of physical chemistry. B","2005","109","36","17086","17093","10.1021/jp051873o","","","0.71073","MoKα","","0.1434","0.1267","","","0.2861","0.292","","","","","","1.663","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506393","7.565","0.012","26.64","0.04","12","0.03","90","","102.64","0.06","90","","2360","8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H11 I N5 Ni S4 -","- C20 H11 I N5 Ni S4 -","- C80 H44 I4 N20 Ni4 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K.","Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2].","The journal of physical chemistry. B","2005","109","35","16610","16615","10.1021/jp051995g","","","0.71073","MoKα","","0.0631","0.0469","","","0.1142","0.1203","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506394","7.3869","0.0015","11.886","0.002","26.181","0.005","88.57","0.03","87.29","0.03","77.27","0.03","2239.4","0.8","100","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 I N5 Ni S4 -","- C20 H11 I N5 Ni S4 -","- C80 H44 I4 N20 Ni4 S16 -","4","2","","Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K.","Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2].","The journal of physical chemistry. B","2005","109","35","16610","16615","10.1021/jp051995g","","","0.71073","MoKα","","0.2983","0.2484","","","0.5275","0.5586","","","","","","1.489","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506395","11.984","0.002","26.524","0.005","7.6252","0.0015","90","","102.61","0.03","90","","2365.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cu I N5 S4 -","- C20 H11 Cu I N5 S4 -","- C80 H44 Cu4 I4 N20 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K.","Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2].","The journal of physical chemistry. B","2005","109","35","16610","16615","10.1021/jp051995g","","","0.71073","MoKα","","0.0623","0.0482","","","0.1294","0.1362","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506396","11.883","0.002","26.373","0.005","7.473","0.0015","90","","102.34","0.03","90","","2287.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cu I N5 S4 -","- C20 H11 Cu I N5 S4 -","- C80 H44 Cu4 I4 N20 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K.","Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2].","The journal of physical chemistry. B","2005","109","35","16610","16615","10.1021/jp051995g","","","0.71073","MoKα","","0.0506","0.0394","","","0.072","0.0741","","","","","","1.178","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506397","9.9583","0.0007","5.7946","0.0004","23.2137","0.0017","90","","101.697","0.002","90","","1311.71","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hydrochloride salt of 2-(2',4'-dinitrobenzyl)pyridine","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C48 H40 Cl4 N12 O16 -","4","1","","Naumov, Pance; Sakurai, Kenji; Ishikawa, Tadahiko; Takahashi, Junichi; Koshihara, Shin-ya; Ohashi, Yuji","Intramolecular nitro-assisted proton transfer in photoirradiated 2-(2',4'-dinitrobenzyl)pyridine: polarized optical spectroscopic study and electronic structure calculations.","The journal of physical chemistry. A","2005","109","32","7264","7275","10.1021/jp0520392","","","0.71073","MoKα","","0.1187","0.0591","","","0.1229","0.1499","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506398","7.0665","0.0005","7.1523","0.0005","13.3112","0.0009","76.813","0.001","86.607","0.001","69.37","0.001","612.86","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Tetrachlorocyclopentadienylniobium(V) THF adduct","","","- C9 H13 Cl4 Nb O -","- C9 H13 Cl4 Nb O -","- C18 H26 Cl8 Nb2 O2 -","2","1","","Lo, Andy Y. H.; Bitterwolf, Thomas E.; Macdonald, Charles L. B.; Schurko, Robert W.","Solid-state 93Nb and 13C NMR investigations of half-sandwich niobium(I) and niobium(V) cyclopentadienyl complexes.","The journal of physical chemistry. A","2005","109","32","7073","7087","10.1021/jp0521499","","","0.71069","MoKα","","0.0305","0.0285","","","0.0657","0.0667","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506399","17.404","0.002","8.678","0.002","4.856","0.001","90","","90","","90","","733.4","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","152002","Benzonitrile-BF3","","- C7 H5 B F3 N -","- C7 H5 B F3 N -","- C28 H20 B4 F12 N4 -","4","0.5","","Phillips, J. A.; Giesen, D. J.; Wells, N. P.; Halfen, J. A.; Knutson, C. C.; Wrass, J. P.","Condensed-phase effects on the structural properties of C6H5CN-BF3 and (CH3)3CCN-BF3: IR spectra, crystallography, and computations.","The journal of physical chemistry. A","2005","109","36","8199","8208","10.1021/jp052495q","","x-ray","0.71073","MoKα","","0.0432","0.0378","","","0.1036","0.1079","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506400","6.2841","0.0002","20.7345","0.0003","9.9453","0.0002","90","","103.559","0.002","90","","1259.73","0.05","100","2","100","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 B F2 N2 -","- C15 H11 B F2 N2 -","- C60 H44 B4 F8 N8 -","4","0.5","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.06","0.0521","","","0.1513","0.1588","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506401","9.123","0.0007","11.4591","0.0008","15.5695","0.0012","90","","90","","90","","1627.7","0.2","100","2","100","2","","","","","","","synthesized","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 B F2 N2 -","- C19 H19 B F2 N2 -","- C76 H76 B4 F8 N8 -","4","1","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.0432","0.0352","","","0.089","0.0928","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506402","7.4173","0.0005","16.0251","0.0011","11.7943","0.0008","90","","102.881","0.001","90","","1366.63","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 B F2 N2 -","- C16 H13 B F2 N2 -","- C64 H52 B4 F8 N8 -","4","1","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.0518","0.0435","","","0.1122","0.117","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506403","16.7533","0.0002","10.6616","0.0001","17.2351","0.0002","90","","90","","90","","3078.48","0.06","100","2","100","2","","","","","","","synthesized","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 B F2 N2 -","- C18 H17 B F2 N2 -","- C144 H136 B8 F16 N16 -","8","1","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.0576","0.0454","","","0.1312","0.1394","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506404","16.8983","0.0004","13.5687","0.0003","7.4844","0.0002","90","","90","","90","","1716.08","0.07","100","2","100","2","","","","","","","synthesized","4","P n a 21","P 2c -2n","33","","","","- C20 H23 B N2 -","- C20 H23 B N2 -","- C80 H92 B4 N8 -","4","1","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.0436","0.0391","","","0.1052","0.1091","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506405","10.764","0.002","12.387","0.002","16.56","0.003","87.73","0.03","76.22","0.03","80.64","0.03","2115.9","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H39 B Cu F4 N3 P2 -","- C49 H39 B Cu F4 N3 P2 -","- C98 H78 B2 Cu2 F8 N6 P4 -","2","1","","Waterland, Mark R.; Howell, Sarah L.; Gordon, Keith C.; Burrell, Anthony K.","Structural changes upon photoexcitation into the metal-to-ligand charge-transfer state of [Cu(pqx)(PPh3)2]+ probed by resonance Raman spectroscopy and density functional theory.","The journal of physical chemistry. A","2005","109","39","8826","8833","10.1021/jp052954n","","","0.71073","MoKα","","0.1107","0.0604","","","0.182","0.2424","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506406","5.1842","0.0004","15.379","0.0013","15.8877","0.0013","90","","98.11","0.001","90","","1254.02","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 F3 Li N O3 S -","- C7 H15 F3 Li N O3 S -","- C28 H60 F12 Li4 N4 O12 S4 -","4","1","","Rocher, Nathalie M.; Frech, Roger; Khan, Masood","Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine).","The journal of physical chemistry. B","2005","109","44","20697","20706","10.1021/jp052965g","","","0.71073","MoKα","","0.1008","0.0882","","","0.2526","0.2676","","","","","","1.109","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506407","8.6035","0.0019","10.008","0.002","28.521","0.006","90","","90","","90","","2455.8","0.9","86","2","86","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H30 F6 Li2 N2 O6 S2 -","- C14 H30 F6 Li2 N2 O6 S2 -","- C56 H120 F24 Li8 N8 O24 S8 -","4","0.5","","Rocher, Nathalie M.; Frech, Roger; Khan, Masood","Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine).","The journal of physical chemistry. B","2005","109","44","20697","20706","10.1021/jp052965g","","","0.71073","MoKα","","0.0543","0.0501","","","0.1523","0.1552","","","","","","1.164","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506408","24.37","0.009","31.908","0.011","5.941","0.002","90","","90","","90","","4620","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H14 N2 O2 S -","- C10 H14 N2 O2 S -","- C160 H224 N32 O32 S16 -","16","1","","Zhang, Wei; Cozzolino, Anthony F.; Mahmoudkhani, Amir H.; Tulumello, Mark; Mansour, Sarah; Vargas-Baca, Ignacio","Influence of pi-stacking on the resonant enhancement of the second-order nonlinear optical response of dipolar chromophores.","The journal of physical chemistry. B","2005","109","39","18378","18384","10.1021/jp053142u","","","0.71073","MoKα","","0.052","0.035","","","0.079","0.086","","","","","","1.024","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506409","6.67","0.001","11.506","0.002","12.975","0.002","90","","114.56","0.05","90","","905.7","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-N-methyl-2-(phenylazo)imidazole","","- C10 H10 N4 -","- C10 H10 N4 -","- C40 H40 N16 -","4","1","","Otsuki, Joe; Suwa, Kazuya; Narutaki, Koichi; Sinha, Chittaranjan; Yoshikawa, Isao; Araki, Koji","Photochromism of 2-(phenylazo)imidazoles.","The journal of physical chemistry. A","2005","109","35","8064","8069","10.1021/jp0531917","","","1.5418","CuKα","","0.066","0.0598","","","0.1828","0.199","","","","","","1.114","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506410","18.2933","0.0011","18.6282","0.0012","6.5839","0.0004","90","","90","","90","","2243.6","0.2","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- Al2 D3.26 Na2 O12 Si3 -","- Al2 D3.258 Na2 O12 Si3 -","- Al16 D26.064 Na16 O96 Si24 -","8","0.5","","Colligan, Marek; Lee, Yongjae; Vogt, Thomas; Celestian, Aaron J.; Parise, John B.; Marshall, William G.; Hriljac, Joseph A.","High-pressure neutron diffraction study of superhydrated natrolite.","The journal of physical chemistry. B","2005","109","39","18223","18225","10.1021/jp054142x","powder diffraction","neutron","","","","","","","","","","0.06644","","1.49","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506411","3.0273","0.0007","3.0273","","3.0273","","90","","90","","90","","27.744","0.006","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Colligan, Marek; Lee, Yongjae; Vogt, Thomas; Celestian, Aaron J.; Parise, John B.; Marshall, William G.; Hriljac, Joseph A.","High-pressure neutron diffraction study of superhydrated natrolite.","The journal of physical chemistry. B","2005","109","39","18223","18225","10.1021/jp054142x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506412","11.272","0.003","14.504","0.003","17.102","0.003","84.537","0.015","86.253","0.018","81.33","0.02","2747.8","1.1","298","2","298","2","","","","","","","","2","P -1","-P 1","2","(Z)-6","(Z)-2-tert-Butyl-9-(2,2,2-triphenylethylidene)fluorene","","- C37 H32 -","- C37 H32 -","- C148 H128 -","4","2","","Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando","Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene.","The journal of physical chemistry. A","2005","109","51","11650","11654","10.1021/jp054345l","","","0.71073","MoKα","","0.146","0.0608","","","0.1065","0.1351","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506413","12.221","0.001","17.921","0.002","13.524","0.003","90","","107.82","0.01","90","","2819.8","0.8","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","(E)-6","(E)-2-tert-Butyl-9-(2,2,2-triphenylethylidene)fluorene","","- C37 H32 -","- C37 H32 -","- C148 H128 -","4","2","","Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando","Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene.","The journal of physical chemistry. A","2005","109","51","11650","11654","10.1021/jp054345l","","","0.71073","MoKα","","0.1177","0.0599","","","0.1463","0.1809","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506414","7.483","0.001","7.636","0.002","18.212","0.003","90","","90","","90","","1040.6","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Bromo-3-(1'H-indol-3'-yl)-maleimide","","- C12 H7 Br N2 O2 -","- C12 H7 Br N2 O2 -","- C48 H28 Br4 N8 O8 -","4","1","","Kaletas, Basak Kükrer; Joshi, Hem C.; van der Zwan, Gert; Fanti, Marianna; Zerbetto, Francesco; Goubitz, Kees; De Cola, Luisa; König, Burkhard; Williams, René M","Asymmetric indolylmaleimide derivatives and their complexation with zinc(II)-cyclen.","The journal of physical chemistry. A","2005","109","42","9443","9455","10.1021/jp054651z","","","1.5418","CuKα","","0.088","0.087","","0.127","","0.126","","","0.938","","","0.951","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506415","9.2709","0.0009","32.431","0.003","11.698","0.002","90","","110.714","0.007","90","","3289.8","0.7","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C36 H51 N7 -","- C36 H51 N7 -","- C144 H204 N28 -","4","1","","Moore, Evan G.; Bernhardt, Paul V.; Fürstenberg, Alexandre; Riley, Mark J.; Vauthey, Eric","Intra- vs intermolecular photoinduced electron transfer reactions of a macrocyclic donor-acceptor dyad.","The journal of physical chemistry. A","2005","109","51","11715","11723","10.1021/jp0547414","","x-ray","0.71073","MoKα","","0.4912","0.0618","","","0.0872","0.1884","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506416","11.082","0.002","16.191","0.003","17.047","0.004","90","","99.607","0.01","90","","3015.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorobis(isopropyldiphenylphosphine)cobalt(II)","","- C30 H34 Cl2 Co P2 -","- C30 H34 Cl2 Co P2 -","- C120 H136 Cl8 Co4 P8 -","4","1","","Ricci, Giovanni; Forni, Alessandra; Boglia, Aldo; Motta, Tiziano; Zannoni, Giulio; Canetti, Maurizio; Bertini, Fabio","Synthesis and X-ray Structure of CoCl2(PiPrPh2)2. A New Highly Active and Stereospecific Catalyst for 1,2 Polymerization of Conjugated Dienes When Used in Association with MAO","Macromolecules","2005","38","4","1064","","10.1021/ma0476083","","","0.71073","MoKα","","0.0652","0.0493","","","0.1034","0.1101","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506417","8.968","0.001","5.734","0.001","28.003","0.003","90","","91.61","0.01","90","","1439.4","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Fe -","- C20 H16 Fe -","- C80 H64 Fe4 -","4","1","","Heo, Richard W.; Park, Joon-Seo; Lee, T. Randall","Synthesis and Ring-Opening Metathesis Polymerization of Aryl-Substituted 1,1‘-(1,3-Butadienylene)ferrocenes","Macromolecules","2005","38","7","2564","","10.1021/ma047826w","","","0.71073","MoKα","","0.045","0.0282","","","0.0652","0.0751","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506418","14.1201","0.0006","15.719","0.0006","8.0672","0.0003","90","","105.144","0.001","90","","1728.36","0.12","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Fe -","- C23 H22 Fe -","- C92 H88 Fe4 -","4","1","","Heo, Richard W.; Park, Joon-Seo; Lee, T. Randall","Synthesis and Ring-Opening Metathesis Polymerization of Aryl-Substituted 1,1‘-(1,3-Butadienylene)ferrocenes","Macromolecules","2005","38","7","2564","","10.1021/ma047826w","","","0.71073","MoKα","","0.0279","0.024","","","0.0654","0.0682","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506419","9.5","0.003","8.508","0.003","17.267","0.006","90","","99.991","0.004","90","","1374.5","0.8","113.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 N2 S -","- C18 H10 N2 S -","- C72 H40 N8 S4 -","4","1","","Yasuda, Takuma; Imase, Tatsuya; Nakamura, Yoshiyuki; Yamamoto, Takakazu","New Alternative Donor−Acceptor Arranged Poly(Aryleneethynylene)s and Their Related Compounds Composed of Five-Membered Electron-Accepting 1,3,4-Thiadiazole, 1,2,4-Triazole, or 3,4-Dinitrothiophene Units: Synthesis, Packing Structure, and Optical Properties","Macromolecules","2005","38","11","4687","","10.1021/ma050398p","","","0.7107","MoKα","","","0.032","","","","0.049","","","","","","1.098","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506420","10.337","0.002","13.479","0.003","12.811","0.003","90","","105.307","0.003","90","","1721.7","0.6","113.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 N2 O4 S -","- C20 H10 N2 O4 S -","- C80 H40 N8 O16 S4 -","4","1","","Yasuda, Takuma; Imase, Tatsuya; Nakamura, Yoshiyuki; Yamamoto, Takakazu","New Alternative Donor−Acceptor Arranged Poly(Aryleneethynylene)s and Their Related Compounds Composed of Five-Membered Electron-Accepting 1,3,4-Thiadiazole, 1,2,4-Triazole, or 3,4-Dinitrothiophene Units: Synthesis, Packing Structure, and Optical Properties","Macromolecules","2005","38","11","4687","","10.1021/ma050398p","","","0.7107","MoKα","","","0.032","","","","0.043","","","","","","0.939","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506421","18.901","0.002","6.512","0.001","23.87","0.003","90","","94.54","0.004","90","","2928.8","0.7","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 Cl2 Zr -","- C34 H38 Cl2 Zr -","- C136 H152 Cl8 Zr4 -","4","0.5","","Losio, Simona; Zecchi, Gaetano; Bertini, Fabio; Sacchi, Maria Carmela; Bertolasi, Valerio; Polo, Eleonora","Unbridged Zirconium and Titanium Metallocenes with Seven- or Eight-Saturated Fused-Ring Ligands: a Route for the Synthesis of Stereoblock Polypropene","Macromolecules","2005","38","17","7231","","10.1021/ma050599t","","","0.7107","MoKα","","0.0376","0.0358","","","0.0953","0.0965","","","","","","1.224","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506422","10.2275","0.0011","18.585","0.002","11.7291","0.0012","90","","106.401","0.002","90","","2138.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H69 Li O5 -","- C42 H69 Li O5 -","- C84 H138 Li2 O10 -","2","1","","Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh","Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide","Macromolecules","2005","38","23","9482","","10.1021/ma050600o","","","0.71073","MoKα","","0.0807","0.0504","","","0.1228","0.1376","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506423","13.1173","0.0015","17.4528","0.0019","15.436","0.0017","90","","92.546","0.002","90","","3530.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 Li O3 -","- C37 H44 Li O3 -","- C148 H176 Li4 O12 -","4","1","","Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh","Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide","Macromolecules","2005","38","23","9482","","10.1021/ma050600o","","","0.71073","MoKα","","0.0999","0.0623","","","0.1826","0.2034","","","","","","1.209","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506424","11.9852","0.001","18.9242","0.0016","19.5947","0.0016","90","","90","","90","","4444.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H69 Li O5 -","- C45 H69 Li O5 -","- C180 H276 Li4 O20 -","4","1","","Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh","Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide","Macromolecules","2005","38","23","9482","","10.1021/ma050600o","","","0.71073","MoKα","","0.1619","0.0527","","","0.1119","0.1366","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506425","12.901","0.008","13.359","0.009","16.323","0.011","90","","90","","90","","2813","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Cl6 N2 O4 Sn -","- C24 H26 Cl6 N2 O4 Sn -","- C96 H104 Cl24 N8 O16 Sn4 -","4","1","","Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon","Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts","Macromolecules","2005","38","13","5406","","10.1021/ma050666j","","","0.71073","MoKα","","0.0524","0.0422","","","0.1045","0.1149","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506426","13.713","0.003","14.784","0.003","15.649","0.003","90","","107.852","0.004","90","","3019.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl6 N2 O3.79 Sn -","- C28 H26 Cl6 N2 O3.79 Sn -","- C112 H104 Cl24 N8 O15.16 Sn4 -","4","1","","Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon","Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts","Macromolecules","2005","38","13","5406","","10.1021/ma050666j","","","0.71073","MoKα","","0.0843","0.0686","","","0.18","0.1909","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506427","14.276","0.005","13.93","0.004","10.985","0.004","90","","94.388","0.006","90","","2178.1","1.3","110","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl N2 O2 Sn -","- C24 H23 Cl N2 O2 Sn -","- C96 H92 Cl4 N8 O8 Sn4 -","4","1","","Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon","Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts","Macromolecules","2005","38","13","5406","","10.1021/ma050666j","","","0.71073","MoKα","","0.0636","0.0418","","","0.0917","0.119","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506428","11.2879","0.0009","11.5445","0.0009","25.113","0.002","89.141","0.002","84.148","0.002","76.224","0.002","3161.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H70 N4 O8 Zn3 -","- C66 H70 N4 O8 Zn3 -","- C132 H140 N8 O16 Zn6 -","2","1","","Chen, Hsuan-Ying; Huang, Bor-Hunn; Lin, Chu-Chieh","A Highly Efficient Initiator for the Ring-Opening Polymerization of Lactides and ε-Caprolactone: A Kinetic Study","Macromolecules","2005","38","13","5400","","10.1021/ma050672f","","","0.71073","MoKα","","0.0907","0.0473","","","0.1202","0.1478","","","","","","0.826","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506429","8.9759","0.0011","15.427","0.003","17.37","0.003","67.867","0.01","77.698","0.01","85.178","0.012","2176.8","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H66 N6 Si2 Zr2 -","- C39 H66 N6 Si2 Zr2 -","- C78 H132 N12 Si4 Zr4 -","2","1","","Li, Hongbo; Stern, Charlotte L.; Marks, Tobin J.","Significant Proximity and Cocatalyst Effects in Binuclear Catalysis for Olefin Polymerization","Macromolecules","2005","38","22","9015","","10.1021/ma050959c","","","0.71073","MoKα","","0.0384","0.0315","","","0.0808","0.0858","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506430","8.5953","0.0006","12.7328","0.0008","13.3145","0.0009","71.863","0.001","76.856","0.001","87.035","0.001","1348.2","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H35 Cl2 N Si Zr -","- C28.25 H27 Cl2 N Si Zr -","- C56.5 H54 Cl4 N2 Si2 Zr2 -","2","1","","Li, Hongbo; Stern, Charlotte L.; Marks, Tobin J.","Significant Proximity and Cocatalyst Effects in Binuclear Catalysis for Olefin Polymerization","Macromolecules","2005","38","22","9015","","10.1021/ma050959c","","","0.71073","MoKα","","0.0469","0.0364","","","0.0909","0.096","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506431","16.3387","0.0009","7.565","0.0004","36.764","0.002","90","","94.242","0.001","90","","4531.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N O Zr -","- C27 H31 N O Zr -","- C216 H248 N8 O8 Zr8 -","8","2","","Mariott, Wesley R.; Chen, Eugene Y.-X.","Mechanism and Scope of Stereospecific, Coordinative-Anionic Polymerization of Acrylamides by Chiral Zirconocenium Ester and Amide Enolates","Macromolecules","2005","38","16","6822","","10.1021/ma051061q","","","0.71073","MoKα","","0.1025","0.0523","","","0.0986","0.1052","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506432","28.15","0.04","7.284","0.012","18.04","0.03","90","","113.028","0.01","90","","3404","9","293","2","293","2","","","","","","","","5","C 1 2/n 1","-C 2yac","15","","","","- C41 H24 Cl2 F6 O4 -","- C41 H24 Cl2 F6 O4 -","- C164 H96 Cl8 F24 O16 -","4","0.5","","Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B.","Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization","Macromolecules","2005","38","25","10413","","10.1021/ma0517796","","","0.71073","MoKα","","0.1131","0.0851","","","0.2027","0.2273","","","","","","1.22","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506433","11.403","0.002","18.815","0.003","17.273","0.003","90","","106.63","0.01","90","","3550.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H32 O6 S -","- C45 H32 O6 S -","- C180 H128 O24 S4 -","4","1","","Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B.","Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization","Macromolecules","2005","38","25","10413","","10.1021/ma0517796","","","1.54178","CuKα","","0.0542","0.0431","","","0.1062","0.1114","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506434","10.567","0.003","15.223","0.004","20.307","0.007","99.62","0.03","103.81","0.02","107.69","0.02","2919","1.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H22 O6 -","- C39 H22 O6 -","- C156 H88 O24 -","4","2","","Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B.","Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization","Macromolecules","2005","38","25","10413","","10.1021/ma0517796","","","1.54178","CuKα","","0.1353","0.0964","","","0.2542","0.2792","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506435","11.205","0.014","12.963","0.014","13.453","0.014","106.622","0.01","95.431","0.01","99.434","0.01","1826","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 Cl3 O8 S3 -","- C37 H25 Cl3 O8 S3 -","- C74 H50 Cl6 O16 S6 -","2","1","","Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B.","Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization","Macromolecules","2005","38","25","10413","","10.1021/ma0517796","","","0.71073","MoKα","","0.1029","0.0758","","","0.222","0.2423","","","","","","1.135","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506436","11.092","0.015","23.35","0.03","13.887","0.015","90","","107.061","0.01","90","","3438","7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 O8 S3 -","- C39 H30 O8 S3 -","- C156 H120 O32 S12 -","4","1","","Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B.","Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization","Macromolecules","2005","38","25","10413","","10.1021/ma0517796","","","0.71073","MoKα","","0.2421","0.1115","","","0.3123","0.3994","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506437","15","0.02","11.01","0.017","24.89","0.03","90","","106.735","0.01","90","","3936","9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 Cl6 O8 S2 -","- C39 H24 Cl6 O8 S2 -","- C156 H96 Cl24 O32 S8 -","4","1","","Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B.","Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization","Macromolecules","2005","38","25","10413","","10.1021/ma0517796","","","0.71073","MoKα","","0.2824","0.0863","","","0.225","0.2871","","","","","","0.727","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506438","8.3399","0.0004","10.5004","0.0005","20.9724","0.0009","86.567","0.001","83.373","0.001","74.01","0.001","1752.99","0.14","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C41 H46 Br2 O3 -","- C41 H46 Br2 O3 -","- C82 H92 Br4 O6 -","2","1","","Tseng, Ya-Hsien; Shih, Ping-I; Chien, Chen-Han; Dixit, Ajay Kumar; Shu, Ching-Fong; Liu, Yi-Hung; Lee, Gene-Hsiang","Stable Organic Blue-Light-Emitting Devices Prepared from Poly[spiro(fluorene-9,9‘-xanthene)]","Macromolecules","2005","38","24","10055","","10.1021/ma051798f","","","0.71073","MoKα","","0.0789","0.0532","","","0.1167","0.1271","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506439","9.5032","0.0002","11.2533","0.0003","19.2625","0.0006","90","","90","","90","","2059.98","0.09","293","","293","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","methyl (1E,4E)-6α,8β-diacetoxy-7βH-germacra-1(10),4-dien-14-oate","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime","Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities.","Journal of natural products","2005","68","4","523","531","10.1021/np0496183","","x-ray","0.71073","MoKα","","0.0765","0.063","","","0.1638","0.1762","","","","","","1.217","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506440","9.039","0.001","14.621","0.001","14.866","0.001","90","","90","","90","","1964.7","0.3","293","","293","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","(1E)-1β,10α-epoxy-6α,8β-diacetoxy-7βH-germacra-4-ene-14-al","","- C19 H28 O6 -","- C19 H28 O6 -","- C76 H112 O24 -","4","1","","Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime","Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities.","Journal of natural products","2005","68","4","523","531","10.1021/np0496183","","x-ray","0.71073","MoKα","","0.0882","0.0711","","","0.1782","0.1932","","","","","","1.121","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506441","9.698","0.001","13.617","0.001","14.946","0.001","90","","90","","90","","1973.7","0.3","293","","293","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","1β,10α,4α,Diepoxy-6α,8β-diacetoxy-7βH-germacra-14-al","","- C19 H28 O7 -","- C19 H28 O7 -","- C76 H112 O28 -","4","1","","Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime","Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities.","Journal of natural products","2005","68","4","523","531","10.1021/np0496183","","x-ray","0.71073","MoKα","","0.0745","0.0637","","","0.1682","0.1801","","","","","","1.178","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506442","5.441","0.001","14.886","0.003","17.243","0.003","90","","90","","90","","1396.6","0.5","293","","293","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","15-hydroxy-10(14)-oplopen-4-one","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime","Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities.","Journal of natural products","2005","68","4","523","531","10.1021/np0496183","","x-ray","0.71073","MoKα","","0.0411","0.0352","","","0.1115","0.1171","","","","","","0.984","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506443","16.525","0.007","7.74","0.002","12.559","0.006","90","","110.18","0.03","90","","1507.7","1.1","215","2","215","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","malettinin D","","","- C16 H16 O7 -","- C16 H16 O7 -","- C64 H64 O28 -","4","1","","Angawi, Rihab F.; Swenson, Dale C.; Gloer, James B.; Wicklow, Donald T.","Malettinins B-D: new polyketide metabolites from an unidentified fungal colonist of Hypoxylon Stromata (NRRL 29110).","Journal of natural products","2005","68","2","212","216","10.1021/np049625r","","","0.71073","MoKα","","0.0641","0.0477","","","0.1289","0.1442","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506444","11.213","0.002","14.543","0.003","16.498","0.003","90","","90","","90","","2690.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","puqienine A","","","- C28 H49 N O4 -","- C28 H49 N O4 -","- C112 H196 N4 O16 -","4","1","","Jiang, Yan; Li, Huijun; Li, Ping; Cai, Zhaohui; Ye, Wencai","Steroidal alkaloids from the bulbs of Fritillaria puqiensis.","Journal of natural products","2005","68","2","264","267","10.1021/np0497649","","","0.71073","MoKα","","0.2021","0.0666","","","0.1594","0.2176","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506445","10.5953","0.0006","11.4554","0.0006","11.5796","0.0007","90","","108.903","0.001","90","","1329.66","0.13","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","19_in_paper?","","","- C24 H40 Br4 O2 -","- C24 H40 Br4 O2 -","- C48 H80 Br8 O4 -","2","0.5","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0266","0.022","","","0.0525","0.0552","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506446","40.0257","0.0006","7.4849","0.0002","15.0438","0.0003","90","","100.68","","90","","4428.88","0.16","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6alpha_in_paper","","","- C24 H36 O2 -","- C24 H36 O2 -","- C192 H288 O16 -","8","2","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.1071","0.0636","","","0.1565","0.1811","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506447","15.0286","0.0003","7.485","0.0002","39.3182","0.0008","90","","90","","90","","4422.87","0.17","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","6beta_in_paper","","","- C24 H36 O2 -","- C24 H36 O2 -","- C192 H288 O16 -","8","2","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0419","0.0341","","","0.0825","0.0877","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506448","9.0844","0.0003","11.8406","0.0003","9.8502","0.0003","90","","113.063","0.001","90","","974.85","0.05","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7alpha_in_paper","","","- C16 H20 S6 -","- C16 H20 S6 -","- C32 H40 S12 -","2","0.5","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0471","0.0313","","","0.0736","0.0794","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506449","9.4288","0.0003","10.8171","0.0003","11.4266","0.0004","107.53","0.001","113.144","0.001","98.332","0.001","974.7","0.06","200","2","200","2","","","","","","","","3","P -1","-P 1","2","7beta_in_paper","","","- C16 H20 S6 -","- C16 H20 S6 -","- C32 H40 S12 -","2","1","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0462","0.0339","","","0.0823","0.0886","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506450","10.2496","0.0011","6.7971","0.0007","10.6545","0.0011","90","","90","","90","","742.27","0.13","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","22_in_paper","","","- C5 H6 S3 -","- C5 H6 S3 -","- C20 H24 S12 -","4","0.5","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0392","0.0244","","","0.0536","0.058","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506451","17.2213","0.0007","7.005","0.0003","11.4894","0.0005","90","","90","","90","","1386.03","0.1","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","23alpha_in_paper","","","- C7 H11 Cl2 I S3 -","- C7 H10.608 Cl1.998 I S3 -","- C28 H42.432 Cl7.992 I4 S12 -","4","0.5","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0479","0.0301","","","0.0596","0.0649","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506452","6.5122","0.0004","7.7517","0.0005","11.2286","0.0008","74.596","0.002","83.282","0.002","74.962","0.002","527.05","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","23beta_in_paper","","","- C6 H9 I S3 -","- C6 H9 I S3 -","- C12 H18 I2 S6 -","2","1","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0445","0.0288","","","0.0501","0.0539","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506453","9.6693","0.0005","14.1562","0.0003","10.6917","0.0005","90","","104.057","0.002","90","","1419.66","0.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","24_in_paper","","","- C6 H9 I3 S3 -","- C6 H9 I3 S3 -","- C24 H36 I12 S12 -","4","1","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0516","0.0331","","","0.0813","0.0878","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506454","9.2385","0.0002","12.0517","0.0003","16.415","0.0005","90","","90","","90","","1827.64","0.08","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F6 N2 P Ru -","- C16 H17 F6 N2 P Ru -","- C64 H68 F24 N8 P4 Ru4 -","4","1","","Sortais, Jean-Baptiste; Ritleng, Vincent; Voelklin, Adeline; Holuigue, Alexandre; Smail, Hakima; Barloy, Laurent; Sirlin, Claude; Verzijl, Gerard K. M.; Boogers, Jeroen A. F.; de Vries, André H M; de Vries, Johannes G.; Pfeffer, Michel","Cycloruthenated primary and secondary amines as efficient catalyst precursors for asymmetric transfer hydrogenation.","Organic letters","2005","7","7","1247","1250","10.1021/ol047353d","","","0.71073","Mo-Kα","","0.071","0.036","","0.123","","0.044","","","3.376","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506455","19.327","0.009","19.327","0.009","9.814","0.006","90","","90","","90","","3666","3","293","2","293","2","","","","","","","","3","I 4","I 4","79","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C160 H176 O48 -","8","1","","Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M.","Transtaganolides A-D: novel metabolites from Thapsia transtagana.","Organic letters","2005","7","5","881","884","10.1021/ol047421w","","","0.71073","MoKα","","0.0741","0.0575","","","0.1348","0.1435","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506456","10.052","0.004","10.322","0.004","17.378","0.009","90","","90","","90","","1803.1","1.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M.","Transtaganolides A-D: novel metabolites from Thapsia transtagana.","Organic letters","2005","7","5","881","884","10.1021/ol047421w","","","0.71073","MoKα","","0.0605","0.0553","","","0.1338","0.1377","","","","","","1.139","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506457","10.373","","10.925","","14.066","","83.18","","70.88","","78.91","","1475.3","","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C32 H38 N2 O8 -","- C32 H38 N2 O8 -","- C64 H76 N4 O16 -","2","1","","Frontera, Antonio; Orell, Maria; Garau, Carolina; Quiñonero, David; Molins, Elies; Mata, Ignasi; Morey, Jeroni","Preparation, solid-state characterization, and computational study of a crown ether attached to a squaramide.","Organic letters","2005","7","8","1437","1440","10.1021/ol0474608","","x-ray","0.71073","MoKα","","0.2549","0.0492","","","0.1173","0.1673","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506458","7.574","0.006","27.38","0.02","15.555","0.014","90","","104.028","0.014","90","","3130","4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Cyclo-bis(3-glycolyloxycholate)","","- C52 H80 O12 -","- C52 H79 O12 -","- C104 H158 O24 -","2","1","","Ghosh, Sanjib; Choudhury, Angshuman Roy; Guru Row, Tayur N.; Maitra, Uday","Selective and unusual fluoride ion complexation by a steroidal receptor using OH...F- and CH...F- interactions: a new motif for anion coordination?","Organic letters","2005","7","8","1441","1444","10.1021/ol047462s","","","0.71073","MoKα","","0.087","0.0693","","","0.2081","0.2198","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506459","11.529","0.01","16.683","0.014","12.782","0.011","90","","98.895","0.015","90","","2429","4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Cyclo-bis(3-glycolyloxycholate)","","- C52 H80 O12 -","- C52 H79 O12 -","- C104 H158 O24 -","2","1","","Ghosh, Sanjib; Choudhury, Angshuman Roy; Guru Row, Tayur N.; Maitra, Uday","Selective and unusual fluoride ion complexation by a steroidal receptor using OH...F- and CH...F- interactions: a new motif for anion coordination?","Organic letters","2005","7","8","1441","1444","10.1021/ol047462s","","","0.71073","MoKα","","0.1313","0.0818","","","0.2119","0.2331","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506460","9.0221","0.0009","12.5961","0.0012","16.13","0.0016","83.714","0.002","79.252","0.002","84.161","0.002","1783.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","2","","Otte, Ryan D.; Sakata, Tomoyo; Guzei, Ilia A.; Lee, Daesung","Reactivity of Mitsunobu reagent toward carbonyl compounds.","Organic letters","2005","7","3","495","498","10.1021/ol0475008","","","0.71073","MoKα","","0.0566","0.0483","","","0.1203","0.1258","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506461","11.35","0.001","11.4769","0.001","14.7702","0.0013","90","","90","","90","","1924","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 O6 -","- C18 H28 N2 O6 -","- C72 H112 N8 O24 -","4","1","","Otte, Ryan D.; Sakata, Tomoyo; Guzei, Ilia A.; Lee, Daesung","Reactivity of Mitsunobu reagent toward carbonyl compounds.","Organic letters","2005","7","3","495","498","10.1021/ol0475008","","","0.71073","MoKα","","0.0642","0.0632","","","0.1768","0.178","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506462","8.1348","0.001","13.1474","0.0017","20.118","0.003","101.643","0.002","99.396","0.002","98.559","0.002","2042","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","04236c","","","- C40 H20 F24 -","- C40 H20 F24 -","- C80 H40 F48 -","2","1","","Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J.","Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization.","Organic letters","2005","7","6","1007","1010","10.1021/ol0475111","","","0.71073","MoKα","","0.066","0.0489","","","0.1357","0.1464","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506463","4.8166","0.0012","11.259","0.003","16.773","0.004","90","","94.405","0.004","90","","906.9","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","04237b","","","- C20 H10 F12 -","- C20 H10 F12 -","- C40 H20 F24 -","2","0.5","","Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J.","Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization.","Organic letters","2005","7","6","1007","1010","10.1021/ol0475111","","","0.71073","MoKα","","0.0545","0.0445","","","0.1222","0.1325","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506464","7.9641","0.0008","11.8791","0.0012","16.6095","0.0017","92.391","0.002","99.039","0.002","94.984","0.002","1543.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","04255a","","","- C36 H20 F16 -","- C36 H20 F16 -","- C72 H40 F32 -","2","1","","Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J.","Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization.","Organic letters","2005","7","6","1007","1010","10.1021/ol0475111","","","0.71073","MoKα","","0.0602","0.0387","","","0.0915","0.1029","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506465","4.7834","0.0009","7.7026","0.0015","11.29","0.002","104.706","0.002","97.67","0.002","104.072","0.002","381.74","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","04256a","","","- C18 H10 F8 -","- C18 H10 F8 -","- C18 H10 F8 -","1","0.5","","Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J.","Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization.","Organic letters","2005","7","6","1007","1010","10.1021/ol0475111","","","0.71073","MoKα","","0.0438","0.0351","","","0.0904","0.0966","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506466","6.4992","0.0001","14.9706","0.0004","34.8326","0.0006","90","","90","","90","","3389.1","0.12","150","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C152 H136 N8 O32 S8 -","8","2","","Pemberton, Nils; Emtenäs, Hans; Boström, Dan; Domaille, Peter J.; Greenberg, William A.; Levin, Michael D.; Zhu, Zuolin; Almqvist, Fredrik","Cycloaddition of delta2-thiazolines and acyl ketenes under acidic conditions results in bicyclic 1,3-oxazinones and not 6-acylpenams as earlier reported.","Organic letters","2005","7","6","1019","1021","10.1021/ol047528j","","","0.71073","MoKα","","0.0665","0.0567","","","0.1444","0.1601","","","","","","1.198","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506467","7.488","0.001","8.724","0.001","11.424","0.002","98.55","0.01","103","0.01","105.39","0.01","683.61","0.18","103.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C34 H30 N2 O6 -","2","1","","Ishikawa, Teruhiko; Miyahara, Tadashi; Asakura, Mami; Higuchi, Shuichi; Miyauchi, Yayoi; Saito, Seiki","One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones.","Organic letters","2005","7","7","1211","1214","10.1021/ol047540b","","","1.5419","CuKα","","","0.068","","","","0.067","","","","","","12.989","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506468","7.57","0.02","9.27","0.02","11.24","0.03","107.1","0.1","102","0.1","99.6","0.1","715","3","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Ishikawa, Teruhiko; Miyahara, Tadashi; Asakura, Mami; Higuchi, Shuichi; Miyauchi, Yayoi; Saito, Seiki","One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones.","Organic letters","2005","7","7","1211","1214","10.1021/ol047540b","","","1.5419","CuKα","","","0.039","","","","0.037","","","","","","1.812","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506469","9.0452","0.0012","10.6117","0.0018","11.2674","0.0018","67.639","0.012","79.657","0.013","84.959","0.013","983.7","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C48 H40 O8 -","2","1","","Xi, Chanjuan; Chen, Chao; Lin, Jie; Hong, Xiaoyin","Pd-catalyzed one-pot multicomponent coupling reaction for the highly regioselective synthesis of polysubstituted benzenes.","Organic letters","2005","7","2","347","349","10.1021/ol047553p","","","0.71073","MoKα","","0.0574","0.0415","","","0.0808","0.0893","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506470","8.5238","0.0005","15.83","0.002","16.8","0.002","90.003","0.003","90.0048","0.0009","90.098","0.001","2266.9","0.4","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C100 H108 N4 O12 S4 -","4","2","","Shimizu, Masamichi; Kimura, Masanari; Watanabe, Toshiya; Tamaru, Yoshinao","Palladium-catalyzed allylation of imines with allyl alcohols.","Organic letters","2005","7","4","637","640","10.1021/ol047609f","","","0.7107","MoKα","","","0.0472","","","","0.1212","","","","","","0.886","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506471","9.86","0.004","12.3513","0.0018","13.171","0.002","100.789","0.013","103.509","0.019","103.5","0.02","1466.1","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 N3 O9 -","- C31 H37 N3 O9 -","- C62 H74 N6 O18 -","2","1","","Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker","Hydrogen bonded dimers of triurea derivatives of triphenylmethanes.","Organic letters","2005","7","4","613","616","10.1021/ol0476265","","","1.54178","CuKα","","0.0814","0.0757","","","0.1977","0.205","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506472","8.792","0.004","14.257","0.007","19.081","0.009","90","","95.562","0.01","90","","2380.5","1.9","110","2","110","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 -","- C36 H26 -","- C144 H104 -","4","1","","Wang, Huadong; Gabbaï, François P","Synthesis and reactivity of a chlorinated 1,8-bis(diarylmethylium)naphthalenediyl dication.","Organic letters","2005","7","2","283","285","10.1021/ol0477071","","","0.71073","MoKα","","0.0701","0.0409","","","0.066","0.071","","","","","","0.961","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506473","12.311","0.002","18.239","0.003","13.189","0.002","90","","110.616","0.002","90","","2771.8","0.8","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Cl4 -","- C36 H22 Cl4 -","- C144 H88 Cl16 -","4","1","","Wang, Huadong; Gabbaï, François P","Synthesis and reactivity of a chlorinated 1,8-bis(diarylmethylium)naphthalenediyl dication.","Organic letters","2005","7","2","283","285","10.1021/ol0477071","","","0.71073","MoKα","","0.0546","0.0498","","","0.141","0.1479","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506474","12.1408","0.0019","18.163","0.003","13.577","0.002","90","","107.848","0.003","90","","2849.8","0.8","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H21 Cl5 -","- C36 H21 Cl5 -","- C144 H84 Cl20 -","4","1","","Wang, Huadong; Gabbaï, François P","Synthesis and reactivity of a chlorinated 1,8-bis(diarylmethylium)naphthalenediyl dication.","Organic letters","2005","7","2","283","285","10.1021/ol0477071","","","0.71073","MoKα","","0.0786","0.0472","","","0.101","0.1097","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506475","16.92","0.001","6.444","0.001","11.27","0.001","90","","92.45","0.01","90","","1227.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H12 Br2 O2 -","- C13 H12 Br2 O2 -","- C52 H48 Br8 O8 -","4","1","","Pelphrey, Phillip; Jasinski, Jerry; Butcher, Ray J.; Wright, Dennis L.","Oxabicyclo[3.2.1]octane derivatives as highly reactive dienophiles: synthesis of bicyclo[5.n.0] systems.","Organic letters","2005","7","3","423","425","10.1021/ol047725i","","","0.71073","MoKα","","0.062","0.0596","","","0.1672","0.17","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506476","10.3322","0.0004","11.1219","0.0006","19.0191","0.0011","90","","90","","90","","2185.56","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Br2 O3 -","- C11 H8 Br2 O3 -","- C88 H64 Br16 O24 -","8","1","","Pelphrey, Phillip; Jasinski, Jerry; Butcher, Ray J.; Wright, Dennis L.","Oxabicyclo[3.2.1]octane derivatives as highly reactive dienophiles: synthesis of bicyclo[5.n.0] systems.","Organic letters","2005","7","3","423","425","10.1021/ol047725i","","","1.54178","CuKα","","0.0627","0.0576","","","0.1643","0.1722","","","","","","1.071","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506477","8.2559","0.0005","6.0132","0.0004","38.196","0.003","90","","93.358","0.002","90","","1893","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C80 H88 N16 O16 -","4","1","","Hong, Bor-Cherng; Chen, Fon-Len; Chen, Shang-Hung; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Intramolecular Diels-Alder cycloadditions of fulvenes. Application to the kigelinol, neoamphilectane, and kempane skeletons.","Organic letters","2005","7","4","557","560","10.1021/ol047730m","","","0.71073","MoKα","","0.1305","0.0911","","","0.1978","0.2241","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506478","9.795","0.001","12.533","0.002","15.01","0.002","90","","106.89","0.01","90","","1763.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N4 O4 -","- C19 H19 N4 O4 -","- C76 H76 N16 O16 -","4","1","","Hong, Bor-Cherng; Chen, Fon-Len; Chen, Shang-Hung; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Intramolecular Diels-Alder cycloadditions of fulvenes. Application to the kigelinol, neoamphilectane, and kempane skeletons.","Organic letters","2005","7","4","557","560","10.1021/ol047730m","","","0.71073","MoKα","","0.121","0.0719","","","0.1887","0.2275","","","","","","0.94","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506479","11.6349","0.0011","9.5265","0.0008","14.2117","0.0012","90","","112.492","0.002","90","","1455.4","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Hong, Bor-Cherng; Chen, Fon-Len; Chen, Shang-Hung; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Intramolecular Diels-Alder cycloadditions of fulvenes. Application to the kigelinol, neoamphilectane, and kempane skeletons.","Organic letters","2005","7","4","557","560","10.1021/ol047730m","","","0.71073","MoKα","","0.114","0.0718","","","0.1781","0.2077","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506480","10.24","0.0007","9.3818","0.0007","21.2499","0.0015","90","","97.066","0.001","90","","2026","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O6 S -","- C20 H23 N O6 S -","- C80 H92 N4 O24 S4 -","4","1","","Bendikov, Michael; Duong, Hieu M.; Bolanos, Eduardo; Wudl, Fred","An unexpected two-group migration involving a sulfonynamide to nitrile rearrangement. Mechanistic studies of a thermal N ‒> C tosyl rearrangement.","Organic letters","2005","7","5","783","786","10.1021/ol0477327","","","0.71073","MoKα","","0.0465","0.0348","","","0.0874","0.0929","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506481","17.026","0.003","8.4434","0.0014","14.299","0.002","90","","104.242","0.003","90","","1992.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Bendikov, Michael; Duong, Hieu M.; Bolanos, Eduardo; Wudl, Fred","An unexpected two-group migration involving a sulfonynamide to nitrile rearrangement. Mechanistic studies of a thermal N ‒> C tosyl rearrangement.","Organic letters","2005","7","5","783","786","10.1021/ol0477327","","","0.71073","MoKα","","0.1371","0.0429","","","0.0874","0.1082","","","","","","0.821","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506482","7.8726","0.0013","8.0401","0.0013","17.08","0.003","82.933","0.003","81.248","0.003","69.356","0.003","997.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C40 H42 N2 O10 S2 -","2","1","","Bendikov, Michael; Duong, Hieu M.; Bolanos, Eduardo; Wudl, Fred","An unexpected two-group migration involving a sulfonynamide to nitrile rearrangement. Mechanistic studies of a thermal N ‒> C tosyl rearrangement.","Organic letters","2005","7","5","783","786","10.1021/ol0477327","","","0.71073","MoKα","","0.0782","0.0456","","","0.1175","0.1411","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506483","12.0167","0.0016","13.6419","0.0019","29.948","0.004","90","","90","","90","","4909.4","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O3 -","- C27 H40 O3 -","- C216 H320 O24 -","8","2","","Zhang, Guang-Wen; Ma, Xiang-Quan; Kurihara, Hiroshi; Zhang, Cui-Xian; Yao, Xin-Sheng; Su, Jing-Yu; Zeng, Long-Mei","New hemiketal steroid from the soft coral Cladiella sp.","Organic letters","2005","7","6","991","994","10.1021/ol0477475","","","0.71073","MoKα","","0.057","0.0456","","","0.12","0.1299","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506484","9.8972","0.0004","12.4672","0.0005","21.6365","0.0008","90","","90","","90","","2669.74","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 N2 O3 -","- C31 H30 N2 O3 -","- C124 H120 N8 O12 -","4","1","","Wipf, Peter; Xiao, Jingbo","Convergent approach to (E)-alkene and cyclopropane peptide isosteres.","Organic letters","2005","7","1","103","106","10.1021/ol0477529","","","0.71073","MoKα","","0.1328","0.0935","","","0.1546","0.169","","","","","","1.134","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506485","11.1945","0.0016","9.697","0.0015","26.431","0.004","90","","94.007","0.004","90","","2862.2","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H36 N3 O5 -","- C31 H36 N3 O5 -","- C124 H144 N12 O20 -","4","2","","Wipf, Peter; Xiao, Jingbo","Convergent approach to (E)-alkene and cyclopropane peptide isosteres.","Organic letters","2005","7","1","103","106","10.1021/ol0477529","","","0.71073","MoKα","","0.3045","0.1006","","","0.1723","0.2372","","","","","","0.758","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506486","14.434","0.006","16.772","0.007","15.101","0.006","90","","104.301","0.007","90","","3542","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 N2 O5 Si -","- C35 H38 N2 O5 Si -","- C140 H152 N8 O20 Si4 -","4","1","","Wipf, Peter; Xiao, Jingbo","Convergent approach to (E)-alkene and cyclopropane peptide isosteres.","Organic letters","2005","7","1","103","106","10.1021/ol0477529","","","0.71073","MoKα","","0.1063","0.0654","","","0.1461","0.1632","","","","","","1.103","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506487","8.2041","0.0007","8.0433","0.0007","12.2666","0.001","90","","102.129","0.001","90","","791.38","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O2 S -","- C8 H7 N O2 S -","- C32 H28 N4 O8 S4 -","4","1","","Harmata, Michael; Rayanil, Kanok-On; Gomes, Maria G.; Zheng, Pinguan; Calkins, Nathan L.; Kim, Soo-Yeun; Fan, Yimin; Bumbu, Valentina; Lee, Dong Reyoul; Wacharasindhu, Sumrit; Hong, Xuechuan","New synthesis of benzothiazines and benzoisothiazoles containing a sulfoximine functional group.","Organic letters","2005","7","1","143","145","10.1021/ol047781j","","","0.71073","MoKα","","0.0426","0.0354","","","0.0884","0.0923","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506488","15.8947","0.0012","7.1605","0.0006","17.1209","0.0013","90","","100.848","0.002","90","","1913.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N5 O3 -","- C20 H19 N5 O3 -","- C80 H76 N20 O12 -","4","1","","Cardillo, Giuliana; Fabbroni, Serena; Gentilucci, Luca; Perciaccante, Rossana; Piccinelli, Fabio; Tolomelli, Alessandra","Highly diastereoselective allylic azide formation and isomerization. Synthesis of 3(2'-amino)-beta-lactams.","Organic letters","2005","7","4","533","536","10.1021/ol047815n","","","0.71073","MoKα","","0.0676","0.0435","","","0.1143","0.1297","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506489","7.338","0.007","15.567","0.017","23.86","0.02","90","","90","","90","","2726","5","","","295","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","1","","Jeffery, David W.; Perkins, Michael V.; White, Jonathan M.","Synthesis of an analogue of the marine polypropionate tridachiahydropyrone.","Organic letters","2005","7","3","407","409","10.1021/ol0478178","","","0.71073","MoKα","","0.2614","0.1136","","","0.2152","0.2849","","","","","","0.93","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506490","7.638","0.0011","8.2565","0.0012","11.3453","0.0016","90","","95.765","0.003","90","","711.85","0.18","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Jeffery, David W.; Perkins, Michael V.; White, Jonathan M.","Synthesis of an analogue of the marine polypropionate tridachiahydropyrone.","Organic letters","2005","7","3","407","409","10.1021/ol0478178","","","0.71073","MoKα","","0.062","0.0532","","","0.1324","0.138","","","","","","0.975","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506491","8.2443","0.0005","16.1149","0.0007","15.7912","0.0007","90","","90","","90","","2097.96","0.18","148","","148","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R)-3-Methyl-N-[(((1R,2S)-2-(1-methyl-1-phenylethyl)cyclohexyl)oxy)carbonyl) -2,3-dihydro-isoindol-1-one","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Comins, Daniel L.; Schilling, Stefan; Zhang, Yanchen","Asymmetric synthesis of 3-substituted isoindolinones: application to the total synthesis of (+)-lennoxamine.","Organic letters","2005","7","1","95","98","10.1021/ol047824w","","","0.71073","MolybdenumKα","","0.031","0.031","","0.033","","0.033","","","","","","1.26","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506492","7.9727","0.0008","12.991","0.0013","15.0747","0.0015","90","","90","","90","","1561.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Br O3 -","- C13 H19 Br O3 -","- C52 H76 Br4 O12 -","4","1","","Vaz, Belén; Alvarez, Rosana; Brückner, Reinhard; de Lera, Angel R.","The Stille reaction in the synthesis of carotenoid butenolides: synthesis of 6'-epi-peridinin.","Organic letters","2005","7","4","545","548","10.1021/ol0478281","","","0.71073","MoKα","","0.1335","0.0463","","","0.1053","0.1223","","","","","","0.783","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506493","10.2154","0.0008","21.8191","0.0017","11.5734","0.0009","90","","106.447","0.002","90","","2474.1","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 N O5 S2 -","- C24 H29 N O5 S2 -","- C96 H116 N4 O20 S8 -","4","2","","Vaz, Belén; Alvarez, Rosana; Brückner, Reinhard; de Lera, Angel R.","The Stille reaction in the synthesis of carotenoid butenolides: synthesis of 6'-epi-peridinin.","Organic letters","2005","7","4","545","548","10.1021/ol0478281","","","0.71073","MoKα","","0.06","0.04","","","0.0652","0.0695","","","","","","0.862","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506494","8.0985","0.0012","10.4719","0.0016","12.3827","0.0019","90","","90.47","0.003","90","","1050.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Br I O3 -","- C8 H8 Br I O3 -","- C32 H32 Br4 I4 O12 -","4","1","","Vaz, Belén; Alvarez, Rosana; Brückner, Reinhard; de Lera, Angel R.","The Stille reaction in the synthesis of carotenoid butenolides: synthesis of 6'-epi-peridinin.","Organic letters","2005","7","4","545","548","10.1021/ol0478281","","","0.71073","MoKα","","0.0744","0.0566","","","0.1536","0.1609","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506495","12.7957","0.0001","18.2036","0.0002","33.0523","0.0005","90","","90","","90","","7698.8","0.16","173","2","173","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","","","- C48 H100 B40 Si5 -","- C48 H100 B40 Si5 -","- C192 H400 B160 Si20 -","4","1","","Núñez, Rosario; González, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko","Approaches to the preparation of carborane-containing carbosilane compounds.","Organic letters","2005","7","2","231","233","10.1021/ol0478335","","x-ray","0.71073","Mokα","","0.1062","0.0674","","","0.1028","0.1153","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506496","12.3501","0.0014","18.786","0.002","10.827","0.0012","90","","90","","90","","2512","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","compound 3b","11,23-dimethyl-4,6,16,18-tetranitro-2,8,14,20-tetraoxacalix[4]arene","","- C26 H16 N4 O12 -","- C26 H16 N4 O12 -","- C104 H64 N16 O48 -","4","1","","Katz, Jeffrey L.; Feldman, Michael B.; Conry, Rebecca R.","Synthesis of functionalized oxacalix[4]arenes.","Organic letters","2005","7","1","91","94","10.1021/ol047840t","","","0.71073","MoKα","","0.1187","0.0711","","","0.1404","0.1702","","","","","","0.962","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506497","17.22","0.002","8.4231","0.001","21.729","0.003","90","","110.017","0.002","90","","2961.3","0.6","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","compound 3e","26,28-dihydroxy-4,6,16,18-tetranitro-2,8,14,20-tetraoxacalix[4]arene","","- C28 H18 N6 O14 -","- C28 H18 N6 O14 -","- C112 H72 N24 O56 -","4","2","","Katz, Jeffrey L.; Feldman, Michael B.; Conry, Rebecca R.","Synthesis of functionalized oxacalix[4]arenes.","Organic letters","2005","7","1","91","94","10.1021/ol047840t","","","0.71073","MoKα","","0.0825","0.0523","","","0.1266","0.147","","","","","","0.92","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506498","8.245","0.002","9.07","0.002","15.501","0.004","93.34","0.02","91.41","0.02","110.26","0.02","1084.4","0.5","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O8 -","- C23 H20 N2 O8 -","- C46 H40 N4 O16 -","2","1","","Lu, Chong-Dao; Liu, Hui; Chen, Zhi-Yong; Hu, Wen-Hao; Mi, Ai-Qiao","Three-component reaction of aryl diazoacetates, alcohols, and aldehydes (or imines): evidence of alcoholic oxonium ylide intermediates.","Organic letters","2005","7","1","83","86","10.1021/ol0478483","","","0.71073","MoKα","","0.0631","0.0404","","","0.1073","0.1137","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506499","9.058","0.0015","10.3496","0.0018","14.987","0.003","74.357","0.003","78.955","0.003","86.161","0.003","1327.7","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O7 -","- C30 H28 N2 O7 -","- C60 H56 N4 O14 -","2","1","","Lu, Chong-Dao; Liu, Hui; Chen, Zhi-Yong; Hu, Wen-Hao; Mi, Ai-Qiao","Three-component reaction of aryl diazoacetates, alcohols, and aldehydes (or imines): evidence of alcoholic oxonium ylide intermediates.","Organic letters","2005","7","1","83","86","10.1021/ol0478483","","","0.71073","MoKα","","0.0662","0.0484","","","0.1219","0.1357","","","","","","1.019","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1506500","12.425","0.0009","21.493","0.001","5.9427","0.0004","90","","90","","90","","1587","0.17","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C68 H68 Br4 O12 -","4","1","","Itoh, Kennosuke; Hasegawa, Masayuki; Tanaka, Junji; Kanemasa, Shuji","Enantioselective enol lactone synthesis under double catalytic conditions.","Organic letters","2005","7","6","979","981","10.1021/ol047872g","","","0.7107","MoKα","","0.0722","0.0513","","","0.1304","0.1466","","","","","","0.94","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506501","11.852","0.008","15.102","0.01","19.607","0.014","74.327","0.014","86.668","0.012","73.37","0.02","3237","4","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H40 N3 O6 -","- C38 H40 N3 O6 -","- C152 H160 N12 O24 -","4","2","","Oguri, Hiroki; Schreiber, Stuart L.","Skeletal diversity via a folding pathway: synthesis of indole alkaloid-like skeletons.","Organic letters","2005","7","1","47","50","10.1021/ol047945w","","","0.71073","MoKα","","0.1747","0.0577","","","0.109","0.1386","","","","","","0.942","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506502","15.165","0.003","11.97","0.003","22.819","0.005","90","","92.248","0.005","90","","4139","1.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 N7 O10 S -","- C43 H47 N7 O10 S -","- C172 H188 N28 O40 S4 -","4","1","","Oguri, Hiroki; Schreiber, Stuart L.","Skeletal diversity via a folding pathway: synthesis of indole alkaloid-like skeletons.","Organic letters","2005","7","1","47","50","10.1021/ol047945w","","","0.71073","MoKα","","0.0807","0.0539","","","0.121","0.1318","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506503","8.1817","0.0008","18.7309","0.0018","6.28","0.0006","90","","90","","90","","962.41","0.16","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H20 F6 O -","- C21 H20 F6 O -","- C42 H40 F12 O2 -","2","0.5","","Resendiz, Marino J. E.; Garcia-Garibay, Miguel A","Hammett analysis of photodecarbonylation in crystalline 1,3-diarylacetones.","Organic letters","2005","7","3","371","374","10.1021/ol0480527","","","0.71073","MoKα","","0.0431","0.0361","","","0.1015","0.1065","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506504","10.905","0.0006","9.0569","0.0007","13.2693","0.0007","90","","92.194","0.005","90","","1309.59","0.14","293","2","293","2","","","","","","","Synthetized from commercial glucuronolactone","5","P 1 21 1","P 2yb","4","","(3aR,4aS,5R,8aR,8bR)-2,2-dimethyl-8a(benzyloxyamino)-8-phenyl-7- (phenylsulfanyl)-3a,4a,5,6,8a,8b-hexahydrobenzo[4,5]furo[2,3-d][1,3]dioxol-5-ol","","- C30 H31 N O5 S -","- C30 H31 N O5 S -","- C60 H62 N2 O10 S2 -","2","1","","Fernández, Marta; Alonso, Ricardo","Tandem radical addition and cyclization of epsilon-substituted delta-yne ketimines.","Organic letters","2005","7","1","11","14","10.1021/ol048104s","","","1.54184","CuKα","","0.0709","0.0467","","","0.1193","0.1326","","","","","","1.077","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506505","6.8995","0.0011","16.674","0.003","21.421","0.003","90","","90","","90","","2464.3","0.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl N3 O6 -","- C21 H28 Cl N3 O6 -","- C84 H112 Cl4 N12 O24 -","4","1","","Liu, Xiaofeng; Li, Hongming; Deng, Li","Highly enantioselective amination of alpha-substituted alpha-cyanoacetates with chiral catalysts accessible from both quinine and quinidine.","Organic letters","2005","7","2","167","169","10.1021/ol048190w","","","0.71073","MoKα","","0.0768","0.0366","","","0.0401","0.0436","","","","","","0.844","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506506","6.738","0.0002","9.491","0.0002","10.247","0.0002","63.862","0.0011","79.987","0.0011","76.57","0.001","570.27","0.02","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H4 F4 S4 -","- C14 H4 F4 S2 -","- C28 H8 F8 S4 -","2","1","","Cho, Don M.; Parkin, Sean R.; Watson, Mark D.","Partial fluorination overcomes herringbone crystal packing in small polycyclic aromatics.","Organic letters","2005","7","6","1067","1068","10.1021/ol050019c","","","0.71073","MoKα","","0.0622","0.0373","","","0.0847","0.094","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506507","9.137","0.0002","9.74","0.0002","13.595","0.0003","89.465","0.0009","73.679","0.0009","79.933","0.001","1142.23","0.04","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 F4 S2 -","- C26 H28 F4 S2 -","- C52 H56 F8 S4 -","2","1","","Cho, Don M.; Parkin, Sean R.; Watson, Mark D.","Partial fluorination overcomes herringbone crystal packing in small polycyclic aromatics.","Organic letters","2005","7","6","1067","1068","10.1021/ol050019c","","","0.71073","MoKα","","0.0791","0.0434","","","0.1003","0.1169","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506508","13.229","0.0003","5.055","0.0001","16.776","0.0005","90","","108.127","0.0012","90","","1066.18","0.05","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C56 H32 S8 -","4","1","","Cho, Don M.; Parkin, Sean R.; Watson, Mark D.","Partial fluorination overcomes herringbone crystal packing in small polycyclic aromatics.","Organic letters","2005","7","6","1067","1068","10.1021/ol050019c","","","0.71073","MoKα","","0.0534","0.0376","","","0.1038","0.1127","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506509","10.989","0.0005","6.7478","0.0003","16.2987","0.0007","90","","95.001","0.002","90","","1203.97","0.09","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 F4 -","- C18 H8 F4 -","- C72 H32 F16 -","4","1","","Cho, Don M.; Parkin, Sean R.; Watson, Mark D.","Partial fluorination overcomes herringbone crystal packing in small polycyclic aromatics.","Organic letters","2005","7","6","1067","1068","10.1021/ol050019c","","","1.54178","CuKα","","0.0404","0.0362","","","0.1014","0.1059","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506510","11.3466","0.0005","10.2778","0.0005","11.6638","0.0007","90","","118.642","0.004","90","","1193.76","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Reeder, Matthew D.; Srikanth, G. S. C.; Jones, Spencer B.; Castle, Steven L.","Synthesis of the core structure of acutumine.","Organic letters","2005","7","6","1089","1092","10.1021/ol050020b","","","0.71073","MoKα","","0.0532","0.0419","","","0.1131","0.1204","","","","","","1.077","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506511","8.7438","0.0006","7.6589","0.0003","21.3498","0.0009","90","","90.022","0.003","90","","1429.75","0.13","293","","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H36 Cl2 Cu N2 O4 -","- C28 H36 Cl2 Cu N2 O4 -","- C56 H72 Cl4 Cu2 N4 O8 -","2","1","","Lyle, Michael P. A.; Draper, Neil D.; Wilson, Peter D.","Enantioselective Friedel-Crafts alkylation reactions catalyzed by a chiral nonracemic C2-symmetric 2,2'-bipyridyl copper(II) complex.","Organic letters","2005","7","5","901","904","10.1021/ol050075d","","","1.5418","CuKα","","0.0521","0.0436","","0.148","0.0553","0.0553","","","","","","1.1741","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506512","5.9008","0.0002","9.6079","0.0003","17.7589","0.0006","90","","90","","90","","1006.83","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","1","","Fernández, Inmaculada; Valdivia, Victoria; Gori, Beatrice; Alcudia, Felipe; Alvarez, Eleuterio; Khiar, Noureddine","The isopropylsulfinyl group: a useful chiral controller for the asymmetric aziridination of sulfinylimines and the organocatalytic allylation of hydrazones.","Organic letters","2005","7","7","1307","1310","10.1021/ol050080h","","","0.71073","MoKα","","0.0248","0.024","","","0.0648","0.0657","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506513","5.9295","0.0006","12.3312","0.0012","16.883","0.0016","90","","90","","90","","1234.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Fe O S -","- C13 H16 Fe O S -","- C52 H64 Fe4 O4 S4 -","4","1","","Fernández, Inmaculada; Valdivia, Victoria; Gori, Beatrice; Alcudia, Felipe; Alvarez, Eleuterio; Khiar, Noureddine","The isopropylsulfinyl group: a useful chiral controller for the asymmetric aziridination of sulfinylimines and the organocatalytic allylation of hydrazones.","Organic letters","2005","7","7","1307","1310","10.1021/ol050080h","","","0.71073","MoKα","","0.055","0.0373","","","0.069","0.0742","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506514","10.7905","0.0012","7.675","0.0008","17.5436","0.0019","90","","90","","90","","1452.9","0.3","273","2","273","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","1,4-Bis-(2-methyl-phenyl)-benzene","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","0.5","","Lunazzi, Lodovico; Mazzanti, Andrea; Minzoni, Mirko; Anderson, J. Edgar","Structure, conformation, and dynamic processes of the stereolabile atropisomers of hindered terphenyl hydrocarbons.","Organic letters","2005","7","7","1291","1294","10.1021/ol050091a","","","0.71073","MoKα","","0.0492","0.0369","","","0.0976","0.1038","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506515","8.206","0.004","19.137","0.009","7.029","0.003","90","","108.955","0.007","90","","1044","0.8","273","2","273","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-Bis-(2-tert-butyl-phenyl)benzene","","- C26 H30 -","- C26 H30 -","- C52 H60 -","2","0.5","","Lunazzi, Lodovico; Mazzanti, Andrea; Minzoni, Mirko; Anderson, J. Edgar","Structure, conformation, and dynamic processes of the stereolabile atropisomers of hindered terphenyl hydrocarbons.","Organic letters","2005","7","7","1291","1294","10.1021/ol050091a","","","0.71073","MoKα","","0.0601","0.0423","","","0.1089","0.1173","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506516","19.569","0.003","9.6463","0.0008","15.091","0.003","90","","116.71","0.02","90","","2544.7","0.8","293","2","293","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C112 H176 O16 -","8","1","","Heim, Ralf; Wiedemann, Stefan; Williams, Craig M.; Bernhardt, Paul V.","Expedient construction of the vibsanin E core without the use of protecting groups.","Organic letters","2005","7","7","1327","1329","10.1021/ol0501222","","x-ray","0.71073","MoKα","","0.1992","0.05","","","0.099","0.145","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506517","8.3731","0.0002","14.2379","0.0001","15.576","0.0002","115.671","0.001","93.9504","0.0005","99.789","0.001","1627.87","0.05","293","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O7 -","- C16 H16 N2 O7 -","- C64 H64 N8 O28 -","4","2","","Ma, Cheng; Yang, Yewei","Thiazolium-mediated multicomponent reactions: a facile synthesis of 3-aminofuran derivatives.","Organic letters","2005","7","7","1343","1345","10.1021/ol0501368","","","0.7107","MoKα","","","0.056","","","","0.163","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506518","8.3581","0.0007","23.522","0.002","7.8293","0.0007","90","","90","","90","","1539.2","0.2","183","2","183","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H16 N4 -","- C20 H16 N4 -","- C80 H64 N16 -","4","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.0383","0.0379","","","0.1007","0.1012","","","","","","0.916","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506519","11.993","0.004","16.027","0.005","7.917","0.003","90","","97.52","0.006","90","","1508.7","0.9","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.1945","0.0704","","","0.1636","0.2408","","","","","","0.94","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506520","13.904","0.003","4.0318","0.0008","14.426","0.003","90","","112.209","0.003","90","","748.7","0.3","183","2","183","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 -","- C20 H16 N4 -","- C40 H32 N8 -","2","0.5","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71069","MoKα","","0.0595","0.0487","","","0.1378","0.1485","","","","","","1.038","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506521","22.607","0.003","5.3689","0.0008","24.359","0.004","90","","90","","90","","2956.6","0.8","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.1487","0.0553","","","0.1061","0.1358","","","","","","0.966","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506522","4.9575","0.0006","15.1933","0.0018","18.374","0.002","90","","90","","90","","1383.9","0.3","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.0595","0.0505","","","0.1272","0.1348","","","","","","0.982","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506523","7.4462","0.0008","7.8786","0.0009","13.6251","0.0015","90","","91.258","0.002","90","","799.13","0.15","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71069","MoKα","","0.0519","0.0459","","","0.13","0.1363","","","","","","1.086","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506524","15.686","0.003","12.04","0.002","7.8796","0.0015","90","","90","","90","","1488.1","0.5","203","2","203","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.0633","0.0355","","","0.0855","0.1145","","","","","","1.086","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506525","7.8283","0.00001","10.626","0.0002","11.105","0.0002","89.465","0.001","75.808","0.001","72.908","0.001","854.04","0.02","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 N4 O4 -","- C38 H52 N4 O4 -","- C38 H52 N4 O4 -","1","0.5","","Sessler, Jonathan L.; Aguilar, Apolonio; Sanchez-Garcia, David; Seidel, Daniel; Köhler, Thomas; Arp, Forrest; Lynch, Vincent M.","Facile syntheses of quater-, penta-, and sexipyrroles.","Organic letters","2005","7","10","1887","1890","10.1021/ol050151c","","","0.71073","MoKα","","0.0623","0.041","","","0.0917","0.1023","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506526","8.5826","0.0001","10.7345","0.0001","34.6417","0.0005","88.214","0.001","83.085","0.001","74.848","0.001","3058.18","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 F18 N6 O16 -","- C54 H55 F18 N6 O16 -","- C108 H110 F36 N12 O32 -","2","1","","Sessler, Jonathan L.; Aguilar, Apolonio; Sanchez-Garcia, David; Seidel, Daniel; Köhler, Thomas; Arp, Forrest; Lynch, Vincent M.","Facile syntheses of quater-, penta-, and sexipyrroles.","Organic letters","2005","7","10","1887","1890","10.1021/ol050151c","","","0.71073","MoKα","","0.1253","0.0735","","","0.1357","0.1572","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506527","10.4318","0.0005","14.7988","0.0006","35.7592","0.0015","90","","90","","90","","5520.4","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 N2 O5 -","- C30 H32 N2 O5 -","- C240 H256 N16 O40 -","8","2","","Wipf, Peter; Stephenson, Corey R. J.","Three-component synthesis of alpha,beta-cyclopropyl-gamma-amino acids.","Organic letters","2005","7","6","1137","1140","10.1021/ol0501525","","","0.71073","MoKα","","0.135","0.0673","","","0.1393","0.1639","","","","","","0.95","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506528","5.3668","0.0003","14.348","0.0007","23.0874","0.0011","90","","90","","90","","1777.8","0.16","571","2","571","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Wipf, Peter; Stephenson, Corey R. J.","Three-component synthesis of alpha,beta-cyclopropyl-gamma-amino acids.","Organic letters","2005","7","6","1137","1140","10.1021/ol0501525","","","0.71073","MoKα","","0.1031","0.0432","","","0.0849","0.1043","","","","","","0.955","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506529","6.8454","0.0002","7.4615","0.0003","27.2798","0.0012","90","","91.069","0.002","90","","1393.13","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[2-(4-methoxybenzyl)phenyl]morpholine","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.","Preparation of 2- and 4-arylmethyl N-substituted and N,N-disubstituted anilines via a ""green"", multicomponent reaction.","Organic letters","2005","7","8","1525","1528","10.1021/ol0501828","","","0.71073","MoKα","","0.1373","0.0503","","","0.0978","0.1238","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506530","9.2593","0.0002","16.1551","0.0003","10.1261","0.0002","90","","101.834","0.001","90","","1482.52","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[4-(4-methoxybenzyl)phenyl]morpholine","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.","Preparation of 2- and 4-arylmethyl N-substituted and N,N-disubstituted anilines via a ""green"", multicomponent reaction.","Organic letters","2005","7","8","1525","1528","10.1021/ol0501828","","","0.71073","MoKα","","0.1084","0.0477","","","0.0969","0.1182","","","","","","1.014","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506531","11.8742","0.0004","14.427","0.0003","11.6716","0.0005","90","","90","","90","","1999.45","0.12","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","N-benzyl-(2-benzyl,4-tolyl)aniline","","- C27 H25 N -","- C27 H25 N -","- C108 H100 N4 -","4","1","","Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.","Preparation of 2- and 4-arylmethyl N-substituted and N,N-disubstituted anilines via a ""green"", multicomponent reaction.","Organic letters","2005","7","8","1525","1528","10.1021/ol0501828","","","0.71073","MoKα","","0.0828","0.0432","","","0.0822","0.0958","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506532","5.1091","0.0016","8.604","0.003","11.779","0.004","96.15","0.006","99.491","0.006","103.281","0.005","491.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3mepyox-ICCCCI","1-3 Co-crystal","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","1","0.5","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.0969","0.0589","","","0.1388","0.1518","","","","","","0.849","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506533","5.0225","0.0014","13.367","0.004","16.614","0.005","111.708","0.004","96.629","0.005","90.382","0.004","1027.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4mepyox-ICCCCI","1-4 Co-crystal","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C36 H28 I4 N8 O4 -","2","1","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.137","0.0633","","","0.144","0.1719","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506534","4.5341","0.0005","33.343","0.004","14.4556","0.0017","90","","93.812","0.002","90","","2180.6","0.4","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","3mepy-ur-ICCCCI","1-5 Co-crystal","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C72 H56 I8 N16 O8 -","4","2","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.1251","0.0686","","","0.2128","0.1944","","","","","","0.961","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506535","4.517","0.005","26.92","0.03","8.586","0.01","90","","93.546","0.018","90","","1042","2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4mepyur-ICCCCI","1-6 co-crystal","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C36 H28 I4 N8 O4 -","2","0.5","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.1819","0.059","","","0.0984","0.1894","","","","","","0.928","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506536","5.2844","0.0011","8.4501","0.0018","12.202","0.003","77.709","0.004","78.835","0.004","83.769","0.004","521","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-3 Co-crystal","","- C20 H14 I2 N4 O2 -","- C20 H14 I2 N4 O2 -","- C20 H14 I2 N4 O2 -","1","0.5","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.0836","0.0573","","","0.135","0.1472","","","","","","0.923","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506537","4.9734","0.0015","9.899","0.003","11.033","0.003","96.605","0.005","95.183","0.005","99.824","0.006","528.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-4 Co-Crystal","","- C20 H14 I2 N4 O2 -","- C20 H14 I2 N4 O2 -","- C20 H14 I2 N4 O2 -","1","0.5","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.1049","0.0669","","","0.1626","0.1828","","","","","","0.902","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506538","8.304","0.0002","8.875","0.0003","20.562","0.0007","90","","91.997","0.0011","90","","1514.46","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 14","(3S)-Tetahydro-3-[(1R,2R,4R,5S)-2-hydroxyl-spiro[3-oxa-7-thiabicyclo[3.3.1]nonane-9,2'-[1,3]dioxolane]-4-yl]-4H-thiopyran-4-one","","- C14 H20 O5 S2 -","- C14 H20 O5 S2 -","- C56 H80 O20 S8 -","4","1","","Ward, Dale E.; Jheengut, Vishal; Akinnusi, Olukayode T.","Enantioselective direct intermolecular aldol reactions with enantiotopic group selectivity and dynamic kinetic resolution.","Organic letters","2005","7","6","1181","1184","10.1021/ol050195l","","","0.71073","MoKα","","0.0773","0.0496","","","0.1237","0.1374","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506539","20.556","0.0008","5.32","0.0003","15.025","0.0007","90","","95.915","0.002","90","","1634.35","0.14","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","compound 15","(3R,4S)-3-{(R)-Hydroxy-[(6S,10R)-10-hydroxymethyl- 1,4-dioxa-8-thiaspiro[4.5]dec-6-yl]methyl}- tetrahydro-2H-thiopyran-4-ol","","- C14 H26 O6 S2 -","- C14 H26 O6 S2 -","- C56 H104 O24 S8 -","4","1","","Ward, Dale E.; Jheengut, Vishal; Akinnusi, Olukayode T.","Enantioselective direct intermolecular aldol reactions with enantiotopic group selectivity and dynamic kinetic resolution.","Organic letters","2005","7","6","1181","1184","10.1021/ol050195l","","","0.71073","MoKα","","0.0552","0.0436","","","0.0854","0.091","","","","","","1.094","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506540","8.0389","0.0011","14.888","0.002","14.573","0.002","90","","100.433","0.003","90","","1715.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O6 -","- C20 H16 O6 -","- C80 H64 O24 -","4","1","","Nair, Vijay; Pillai, Abhilash N.; Menon, Rajeev S.; Suresh, Eringathodi","Pyridine-catalyzed addition of diaryl-1,2-diones to dimethyl butynedioate leading to the formation of 1,2-diaroyl dimethyl maleates via an unprecedented rearrangement.","Organic letters","2005","7","6","1189","1191","10.1021/ol050225k","","","0.71073","MoKα","","0.0915","0.0652","","","0.1674","0.1886","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506541","6.854","0.003","14.08","0.004","20.093","0.009","90","","90","","90","","1939.1","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","","Jeffery, David W.; Perkins, Michael V.; White, Jonathan M.","Synthesis of the putative structure of tridachiahydropyrone.","Organic letters","2005","7","8","1581","1584","10.1021/ol050236d","","","1.5418","CuKα","","0.3284","0.1065","","","0.1767","0.2657","","","","","","0.974","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506542","9.079","0.002","10.386","0.003","11.448","0.003","64.851","0.005","77.443","0.005","72.753","0.005","928","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C40 H52 O6 S2 -","2","1","","Souto, José A; López, Carlos Silva; Faza, Olalla Nieto; Alvarez, Rosana; de Lera, Angel R.","2-Alkylidenesulfol-3-enes by (regio- and) stereoselective cheletropic addition of SO2 to (di)vinylallenes.","Organic letters","2005","7","8","1565","1568","10.1021/ol050240p","","","0.71073","MoKα","","0.114","0.0772","","","0.246","0.2612","","","","","","1.104","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506543","9.7494","0.0008","12.3191","0.0011","12.4391","0.0011","101.789","0.001","111.839","0.001","107.544","0.001","1234.86","0.19","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","P,P-diphenyl-N-(1-dimethylphenylsilyl-3-methylmethylene)-phosphinic amide","","- C28 H30 N O P Si -","- C28 H30 N O P Si -","- C56 H60 N2 O2 P2 Si2 -","2","1","","Ballweg, David M.; Miller, Rebecca C.; Gray, Danielle L.; Scheidt, Karl A.","Stereoselective synthesis of alpha-silylamines by the direct addition of silyl anions to activated imines.","Organic letters","2005","7","7","1403","1406","10.1021/ol050244u","","","0.71073","MoKα","","0.0744","0.0492","","","0.118","0.1308","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506544","6.4269","0.0008","16.553","0.002","18.276","0.002","90","","90","","90","","1944.3","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S(S),S) N-(1-dimethylphenylsilylphenylmethylene)-t-butanesulfinamide","","- C19 H27 N O S Si -","- C19 H27 N O S Si -","- C76 H108 N4 O4 S4 Si4 -","4","1","","Ballweg, David M.; Miller, Rebecca C.; Gray, Danielle L.; Scheidt, Karl A.","Stereoselective synthesis of alpha-silylamines by the direct addition of silyl anions to activated imines.","Organic letters","2005","7","7","1403","1406","10.1021/ol050244u","","","0.71073","MoKα","","0.1208","0.062","","","0.1144","0.1353","","","","","","0.966","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506545","6.5692","0.0013","15.207","0.003","20.303","0.004","90","","90","","90","","2028.2","0.7","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R(S),R)-1-dimethylphenyl-2,2-dimethylpropyl)-t-butanesulfinamide","","- C17 H33 N O2 S Si -","- C17 H33 N O2 S Si -","- C68 H132 N4 O8 S4 Si4 -","4","1","","Ballweg, David M.; Miller, Rebecca C.; Gray, Danielle L.; Scheidt, Karl A.","Stereoselective synthesis of alpha-silylamines by the direct addition of silyl anions to activated imines.","Organic letters","2005","7","7","1403","1406","10.1021/ol050244u","","","0.71073","MoKα","","0.147","0.0592","","","0.1058","0.1279","","","","","","0.877","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506546","10.446","0.005","15.755","0.005","19.741","0.005","101.976","0.005","91.797","0.005","98.325","0.005","3138","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H71 N9 O13 -","- C66 H71 N9 O13 -","- C132 H142 N18 O26 -","2","1","","Bag, Bamaprasad; Bharadwaj, Parimal K.","Attachment of electron-withdrawing 2,4-dinitrobenzene groups to a cryptand-based receptor for Cu(II)/H+ specific exciplex and monomer emissions.","Organic letters","2005","7","8","1573","1576","10.1021/ol050254v","","","0.71069","MoKα","","0.087","0.0674","","","0.187","0.2032","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506547","12.495","0.0003","33.601","0.0001","14.107","0.0002","90","","110.001","0.003","90","","5565.53","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H67 N7 O7 -","- C69 H67 N7 O7 -","- C276 H268 N28 O28 -","4","1","","Bag, Bamaprasad; Bharadwaj, Parimal K.","Attachment of electron-withdrawing 2,4-dinitrobenzene groups to a cryptand-based receptor for Cu(II)/H+ specific exciplex and monomer emissions.","Organic letters","2005","7","8","1573","1576","10.1021/ol050254v","","","0.71073","MoKα","","0.0808","0.061","","","0.1705","0.1836","","","","","","1.024","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506548","13.143","0.005","13.52","0.005","18.853","0.005","85.665","0.005","71.885","0.005","76.671","0.005","3098.2","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H66 Cl N11 O15 -","- C64 H66 Cl N11 O15 -","- C128 H132 Cl2 N22 O30 -","2","1","","Bag, Bamaprasad; Bharadwaj, Parimal K.","Attachment of electron-withdrawing 2,4-dinitrobenzene groups to a cryptand-based receptor for Cu(II)/H+ specific exciplex and monomer emissions.","Organic letters","2005","7","8","1573","1576","10.1021/ol050254v","","","0.71073","MoKα","","0.1073","0.0729","","","0.1865","0.2147","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506549","20.937","0.005","13.542","0.005","24.926","0.005","90","0.005","92.507","0.005","90","0.005","7060","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H80 Cl2 N10 O16 -","- C75 H78 Cl2 N10 O16 -","- C300 H312 Cl8 N40 O64 -","4","1","","Bag, Bamaprasad; Bharadwaj, Parimal K.","Attachment of electron-withdrawing 2,4-dinitrobenzene groups to a cryptand-based receptor for Cu(II)/H+ specific exciplex and monomer emissions.","Organic letters","2005","7","8","1573","1576","10.1021/ol050254v","","","0.71069","MoKα","","0.1125","0.0798","","","0.165","0.1806","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506550","9.9387","0.0013","11.7542","0.0016","15.485","0.002","90","","90","","90","","1809","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Aspinall, Helen C.; Greeves, Nicholas; Valla, Carine","Samarium diiodide-catalyzed diastereoselective pinacol couplings.","Organic letters","2005","7","10","1919","1922","10.1021/ol050256f","","","0.71073","MoKα","","0.0493","0.0381","","","0.0931","0.0971","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506551","15.9393","0.0014","29.73","0.003","12.2145","0.0011","90","","92.481","0.002","90","","5782.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 F3 N2 O3.5 -","- C29 H36 F3 N2 O3.5 -","- C232 H288 F24 N16 O28 -","8","1","","Nair, Vijay; Sreekumar, V.; Bindu, S.; Suresh, Eringathodi","Two unprecedented multicomponent reactions involving N-heterocyclic carbenes, activated acetylenes, and aldehydes.","Organic letters","2005","7","12","2297","2300","10.1021/ol0502782","","","0.71073","MoKα","","0.0867","0.0707","","","0.1923","0.2074","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506552","9.2322","0.0015","17.385","0.003","9.8198","0.0016","90","","101.64","0.003","90","","1543.7","0.4","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 F N2 O9 -","- C30 H38 F N2 O9 -","- C60 H76 F2 N4 O18 -","2","1","","Nair, Vijay; Sreekumar, V.; Bindu, S.; Suresh, Eringathodi","Two unprecedented multicomponent reactions involving N-heterocyclic carbenes, activated acetylenes, and aldehydes.","Organic letters","2005","7","12","2297","2300","10.1021/ol0502782","","","0.71073","MoKα","","0.0528","0.0472","","","0.131","0.1439","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506553","11.791","0.002","17.038","0.003","17.969","0.004","90","","74.07","0.03","90","","3471.3","1.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H81 B N2 O2 P2 Ru -","- C78 H81 B N2 O2 P2 Ru -","- C156 H162 B2 N4 O4 P4 Ru2 -","2","1","","Guo, Rongwei; Chen, Xuanhua; Elpelt, Christian; Song, Datong; Morris, Robert H.","Applications of ruthenium hydride borohydride complexes containing phosphinite and diamine ligands to asymmetric catalytic reactions.","Organic letters","2005","7","9","1757","1759","10.1021/ol050336j","","","0.71073","MoKα","","0.2171","0.0703","","","0.1273","0.1752","","","","","","0.94","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506554","18.059","0.004","18.096","0.004","21.949","0.004","90","","90","","90","","7173","3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C81.6 H89.4 B N2 O2 P2 Ru -","- C81.6 H81 B N2 O2 P2 Ru -","- C326.4 H324 B4 N8 O8 P8 Ru4 -","4","1","","Guo, Rongwei; Chen, Xuanhua; Elpelt, Christian; Song, Datong; Morris, Robert H.","Applications of ruthenium hydride borohydride complexes containing phosphinite and diamine ligands to asymmetric catalytic reactions.","Organic letters","2005","7","9","1757","1759","10.1021/ol050336j","","","0.71073","MoKα","","0.2101","0.0624","","","0.09","0.1216","","","","","","0.927","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506555","27.093","0.004","6.392","0.0013","10.547","0.0007","90","","90","","90","","1826.5","0.5","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Bromo-5-(4-chlorohenyl)-2-(4-tertbutylphenyl)furan","","- C20 H18 Br Cl O -","- C20 H18 Br Cl O -","- C80 H72 Br4 Cl4 O4 -","4","1","","Sniady, Adam; Wheeler, Kraig A.; Dembinski, Roman","5-Endo-dig electrophilic cyclization of 1,4-disubstituted but-3-yn-1-ones: regiocontrolled synthesis of 2,5-disubstituted 3-bromo- and 3-iodofurans.","Organic letters","2005","7","9","1769","1772","10.1021/ol050372i","","","0.71073","MoKα","","0.1168","0.0502","","","0.0877","0.1065","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506556","7.8832","0.0012","17.578","0.003","9.3048","0.0014","90","","93.894","0.002","90","","1286.4","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cl O3 -","- C15 H11 Cl O3 -","- C60 H44 Cl4 O12 -","4","1","","Calter, Michael A.; Tretyak, Olexandr A.; Flaschenriem, Christine","Formation of disubstituted beta-lactones using bifunctional catalysis.","Organic letters","2005","7","9","1809","1812","10.1021/ol050411q","","","0.71073","MoKα","","0.1605","0.1329","","","0.2569","0.2689","","","","","","1.38","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506557","6.9632","0.0014","9.5308","0.0017","15.805","0.003","90","","91.416","0.004","90","","1048.6","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","1","","Wu, Huifang; Thatcher, Linn N.; Bernard, Denzil; Parrish, Damon A.; Deschamps, Jeffrey R.; Rice, Kenner C.; MacKerell, Jr, Alexander D; Coop, Andrew","Position of coordination of the lithium ion determines the regioselectivity of demethylations of 3,4-dimethoxymorphinans with L-selectride.","Organic letters","2005","7","13","2531","2534","10.1021/ol050433c","","","0.71073","MoKα","","0.0599","0.0471","","","0.1171","0.1373","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506558","14.251","0.001","6.4802","0.0005","19.219","0.001","90","","97.679","0.003","90","","1758.9","0.2","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H52 O3 -","- C39 H52 O3 -","- C78 H104 O6 -","2","1","","Kumar, Nilesh; Kiuchi, Masatoshi; Tallarico, John A.; Schreiber, Stuart L.","Small-molecule diversity using a skeletal transformation strategy.","Organic letters","2005","7","13","2535","2538","10.1021/ol0504345","","","0.71073","MoKα","","0.1032","0.0697","","","0.1737","0.1952","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506559","18.578","0.003","13.143","0.002","21.494","0.003","90","","111.874","0.003","90","","4870.4","1.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 N4 O4 -","- C52 H72 N4 O4 -","- C208 H288 N16 O16 -","4","1","","Simaan, Samah; Biali, Silvio E.","Preferential axial protonation in a zwitterionic calix[4]arene.","Organic letters","2005","7","9","1817","1820","10.1021/ol0504392","","","0.71073","MoKα","","0.071","0.0554","","","0.1413","0.1494","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506560","8.136","0.001","8.542","0.002","10.627","0.003","84.959","0.006","73.671","0.007","69.347","0.005","663.2","0.3","293","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O6 -","- C13 H13 N O6 -","- C26 H26 N2 O12 -","2","1","","Ding, Hanfeng; Ma, Cheng; Yang, Yewei; Wang, Yanguang","Unexpected reaction of dimethyl acetylenedicarboxylate with in situ generated arylketenes catalyzed by 1-methylimidazole.","Organic letters","2005","7","11","2125","2127","10.1021/ol050492q","","","0.7107","MoKα","","","0.054","","","","0.163","","","","","","1.003","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506561","23.64","0.01","16.89","0.006","12.682","0.005","90","","116.4","0.03","90","","4536","3","173.1","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C48 H68 N4 O4 -","- C48.04 H38 N4 O4 -","- C192.16 H152 N16 O16 -","4","0.5","","Tsue, Hirohito; Ishibashi, Koichi; Takahashi, Hiroki; Tamura, Rui","Exhaustively methylated azacalix[4]arene: preparation, conformation, and crystal structure with exclusively CH/pi-controlled crystal architecture.","Organic letters","2005","7","11","2165","2168","10.1021/ol050493i","","","0.7107","MoKα","","","0.092","","","","0.136","","","","","","1.142","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506562","10.059","0.0011","5.9759","0.0007","13.3917","0.0015","90","","108.39","0.002","90","","763.89","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C34 H36 N4 O10 -","2","1","","Alvarez de Cienfuegos, Luis; Mota, Antonio J.; Robles, Rafael","Convenient synthesis of nucleoside and isonucleoside analogues.","Organic letters","2005","7","11","2161","2164","10.1021/ol050496v","","","0.71073","MoKα","","0.0523","0.0479","","","0.1169","0.1199","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506563","7.872","0.001","7.923","0.001","9.822","0.001","90","","98.156","0.009","90","","606.4","0.13","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C26 H36 O6 -","2","1","","Yasuda, Makoto; Tanaka, Shin-Ya; Baba, Akio","Reductive cross-aldol reaction using bromoaldehyde and an aldehyde mediated by germanium(II): one-pot, large-scale protocol.","Organic letters","2005","7","9","1845","1848","10.1021/ol050533i","","","0.7107","MoKα","","","0.0521","","","","0.1256","","","","","","2.159","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506564","8.6325","0.0011","8.2795","0.001","9.4032","0.0012","90","","108.713","0.002","90","","636.55","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N O2 -","- C6 H9 N O2 -","- C24 H36 N4 O8 -","4","1","","Hu, Tianshun; Li, Chaozhong","Synthesis of lactams via copper-catalyzed intramolecular vinylation of amides.","Organic letters","2005","7","10","2035","2038","10.1021/ol0505555","","","0.71073","MoKα","","0.0844","0.0738","","","0.2128","0.2232","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506565","7.6969","0.0012","9.6905","0.0014","16.428","0.002","90","","90","","90","","1225.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","0.5","","Hu, Tianshun; Li, Chaozhong","Synthesis of lactams via copper-catalyzed intramolecular vinylation of amides.","Organic letters","2005","7","10","2035","2038","10.1021/ol0505555","","","0.71073","MoKα","","0.0645","0.0474","","","0.1166","0.127","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506566","10.1516","0.0005","15.4731","0.0008","26.0575","0.0013","90","","100.362","0.002","90","","4026.3","0.4","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Nonachloroazatriquinacene - C60","","","- C69 Cl9 N -","- C69 Cl9 N -","- C276 Cl36 N4 -","4","1","","Pham, David; Cerón Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L.","Interaction of fullerenes with the concave surfaces of perchloroazatriquinacene.","Organic letters","2005","7","14","2805","2808","10.1021/ol050557p","","","0.71073","MoKα","","0.0547","0.0383","","","0.0998","0.1109","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506567","16.844","0.003","19.929","0.004","26.869","0.005","90","","90","","90","","9019","3","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Nanochloroazatriquinacene - C70","","","- C79 Cl9 N -","- C79 Cl9 N -","- C632 Cl72 N8 -","8","1","","Pham, David; Cerón Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L.","Interaction of fullerenes with the concave surfaces of perchloroazatriquinacene.","Organic letters","2005","7","14","2805","2808","10.1021/ol050557p","","","0.71073","MoKα","","0.0508","0.0391","","","0.1048","0.1132","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506568","9.6285","0.0009","10.2351","0.0009","15.0732","0.0013","90","","90","","90","","1485.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 F2 N O2 -","- C6 H11 F2 N O2 -","- C48 H88 F16 N8 O16 -","8","2","","Wang, Ruo-Wen; Qing, Feng-Ling","Highly stereocontrolled synthesis of gem-difluoromethylenated azasugars: D- and L-1,4,6-trideoxy-4,4-difluoronojirimycin.","Organic letters","2005","7","11","2189","2192","10.1021/ol050558h","","","0.71073","MoKα","","0.0435","0.0413","","","0.0978","0.0994","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506569","6.8517","0.0011","39.307","0.007","7.0654","0.0011","90","","115.035","0.003","90","","1724.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","2","","Morin, Matthew D.; Rychnovsky, Scott D.","Reductive spiroannulation of nitriles with secondary electrophiles.","Organic letters","2005","7","10","2051","2053","10.1021/ol050567q","","","0.71073","MoKα","","0.0752","0.0629","","","0.1711","0.1936","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506570","9.6051","0.0009","7.4837","0.0007","11.8595","0.0011","90","","99.663","0.002","90","","840.39","0.14","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Morin, Matthew D.; Rychnovsky, Scott D.","Reductive spiroannulation of nitriles with secondary electrophiles.","Organic letters","2005","7","10","2051","2053","10.1021/ol050567q","","","0.71073","MoKα","","0.0516","0.0376","","","0.089","0.0967","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506571","11.262","0.002","6.1691","0.0012","21.598","0.004","90","","96.62","0.03","90","","1490.5","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","1","","Aggarwal, Varinder K.; Patin, Amaury; Tisserand, Steve","Highly diastereoselective Diels-Alder reactions of Baylis-Hillman adducts.","Organic letters","2005","7","13","2555","2557","10.1021/ol050584f","","","0.71073","MoKα","","0.0567","0.053","","","0.1223","0.1246","","","","","","1.148","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506572","10.687","0.002","7.678","0.0015","28.81","0.006","90","","96.29","0.03","90","","2349.8","0.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H19 N O4 -","- C12 H19 N O4 -","- C96 H152 N8 O32 -","8","1","","Giorgi, Giorgio; Miranda, Sonia; López-Alvarado, Pilar; Avendaño, Carmen; Rodriguez, Jean; Menéndez, J Carlos","Unique Michael addition-initiated domino reaction for the stereoselective synthesis of functionalized macrolactones from alpha-nitroketones in water.","Organic letters","2005","7","11","2197","2200","10.1021/ol0505860","","","1.5418","CuKα","","0.2185","0.0919","","0.2781","0.1988","","","","1.076","1.529","1.529","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506573","13.274","0.003","12.007","0.002","12.039","0.002","90","","94.65","0.03","90","","1912.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 Br N2 O3 -","- C18 H25 Br N2 O3 -","- C72 H100 Br4 N8 O12 -","4","2","","Sibi, Mukund P.; Ma, Zhihua; Itoh, Kennosuke; Prabagaran, Narayanasamy; Jasperse, Craig P.","Enantioselective cycloadditions with alpha,beta-disubstituted acrylimides.","Organic letters","2005","7","12","2349","2352","10.1021/ol050599d","","","0.71073","MoKα","","0.1606","0.0424","","","0.0816","0.1231","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506574","9.6042","0.0019","11.448","0.002","17.97","0.004","90","","91.28","0.03","90","","1975.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 Br N2 O3 -","- C19 H25.5 Br N2 O3 -","- C76 H102 Br4 N8 O12 -","4","2","","Sibi, Mukund P.; Ma, Zhihua; Itoh, Kennosuke; Prabagaran, Narayanasamy; Jasperse, Craig P.","Enantioselective cycloadditions with alpha,beta-disubstituted acrylimides.","Organic letters","2005","7","12","2349","2352","10.1021/ol050599d","","","0.71073","MoKα","","0.174","0.0456","","","0.0835","0.1165","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506575","12.335","0.003","19.218","0.003","8.483","0.002","90","","90","","90","","2010.9","0.8","183","1","183","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl2 F5 O2 P2 Rh -","- C14 H18 Cl2 F5 O2 P2 Rh -","- C56 H72 Cl8 F20 O8 P8 Rh4 -","4","1","","Kashiwabara, Taigo; Kataoka, Kyoko; Hua, Ruimao; Shimada, Shigeru; Tanaka, Masato","CO-retentive addition reactions of fluorinated acid chlorides to alkynes.","Organic letters","2005","7","11","2241","2244","10.1021/ol050632w","","","0.7107","MoKα","","0.0474","0.0468","","","0.1571","0.1578","","","","","","1.094","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506576","11.7815","0.0007","10.3316","0.0006","12.8152","0.0008","90","","114.146","0.001","90","","1423.41","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Cl O2 -","- C16 H21 Cl O2 -","- C64 H84 Cl4 O8 -","4","1","","Harmata, Michael; Lee, Dong Reyoul; Barnes, Charles L.","Stereospecific synthesis of dienones via a torquoselective retro-Nazarov reaction.","Organic letters","2005","7","9","1881","1883","10.1021/ol050657v","","","0.71073","MoKα","","0.0409","0.034","","","0.0869","0.0911","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506577","7.5148","0.0007","21.084","0.002","10.2821","0.001","90","","108.583","0.002","90","","1544.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 Cl O2 -","- C17 H23 Cl O2 -","- C68 H92 Cl4 O8 -","4","1","","Harmata, Michael; Lee, Dong Reyoul; Barnes, Charles L.","Stereospecific synthesis of dienones via a torquoselective retro-Nazarov reaction.","Organic letters","2005","7","9","1881","1883","10.1021/ol050657v","","","0.71073","MoKα","","0.0566","0.0403","","","0.0893","0.0961","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506578","6.5285","0.0008","10.708","0.0014","16.894","0.002","101.409","0.002","100.481","0.002","94.819","0.002","1129.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H38 O2 Si -","- C25 H38 O2 Si -","- C50 H76 O4 Si2 -","2","1","","Zimmerman, Howard E.; Cheng, Jie","Control of proton transfer: intramolecular vs intermolecular.","Organic letters","2005","7","13","2595","2597","10.1021/ol0506617","","","0.71073","MoKα","","0.0559","0.0459","","","0.1202","0.1328","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506579","7.724","0.003","8.59","0.003","14.83","0.005","82.446","0.008","77.047","0.007","77.608","0.007","933","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Methyl 5,5-diethoxy-6-(-3-ethoxy-1-nitro-3-oxopropyl)- 2-hydroxycyclohexa-1,3-dienecarboxylate","","- C17 H25 N O9 -","- C17 H25 N O9 -","- C34 H50 N2 O18 -","2","1","","Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey","Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals.","Organic letters","2005","7","15","3167","3170","10.1021/ol050715c","","","0.71073","MoKα","","0.0469","0.0415","","","0.1107","0.1154","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506580","8.978","0.003","12.641","0.004","18.581","0.006","80.985","0.007","88.934","0.007","87.825","0.007","2081.1","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Methyl 5,5-diethoxy-6-(-3-ethoxy-1-nitro-3-oxopropyl)- 1-methyl-2-oxocyclohex-3-enecarboxylate","","- C18 H27 N O9 -","- C18 H27 N O9 -","- C72 H108 N4 O36 -","4","2","","Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey","Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals.","Organic letters","2005","7","15","3167","3170","10.1021/ol050715c","","","0.71073","MoKα","","0.0528","0.0466","","","0.1256","0.1317","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506581","8.672","0.003","9.175","0.003","13.996","0.005","83.3","0.007","76.978","0.007","81.591","0.007","1069.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 9,9-diethoxy-3-methyl-7-oxo-6-(phenylcarbamoyl)- 2-oxa-bicyclo[3.3.1]non-3-ene-4-carboxylate","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C46 H58 N2 O14 -","2","1","","Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey","Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals.","Organic letters","2005","7","15","3167","3170","10.1021/ol050715c","","","0.71073","MoKα","","0.0414","0.0374","","","0.0961","0.0989","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506582","8.4839","0.0012","11.9599","0.0018","19.058","0.003","74.294","0.003","89.534","0.004","89.004","0.004","1861.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 9,9-dimethoxy-6-(2-nitrophenyl)-3,7- dioxobicyclo[3.3.1]nonane-2-carboxylate","","- C20 H23 N O8 -","- C20 H23 N O8 -","- C80 H92 N4 O32 -","4","2","","Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey","Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals.","Organic letters","2005","7","15","3167","3170","10.1021/ol050715c","","","0.71073","MoKα","","0.0443","0.04","","","0.1086","0.1119","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506583","10.5188","0.0012","14.2466","0.0016","14.9179","0.0016","90","","108.088","0.003","90","","2125.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 9,9-diethoxy-3,7-dioxo-5- (phenylcarbamoyl)bicyclo[3.3.1]nonane-2-carboxylate","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C92 H116 N4 O28 -","4","1","","Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey","Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals.","Organic letters","2005","7","15","3167","3170","10.1021/ol050715c","","","0.71073","MoKα","","0.0383","0.0353","","","0.0943","0.0968","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506584","14.9026","0.0016","16.6125","0.0017","7.8304","0.0008","90","","94.235","0.002","90","","1933.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O -","- C22 H28 N2 O -","- C88 H112 N8 O4 -","4","1","","Movassaghi, Mohammad; Schmidt, Michael A.","N-heterocyclic carbene-catalyzed amidation of unactivated esters with amino alcohols.","Organic letters","2005","7","12","2453","2456","10.1021/ol050773y","","","0.71073","MoKα","","0.0637","0.0471","","","0.1036","0.112","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506585","9.871","0.004","10.243","0.004","16.997","0.007","90","","90.397","0.007","90","","1718.5","1.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H19 Cl -","- C22 H19 Cl -","- C88 H76 Cl4 -","4","2","","Kabalka, George W.; Yao, Min-Liang; Borella, Scott; Wu, Zhong-Zhi","Substitution of benzylic hydroxyl groups with vinyl moieties using vinylboron dihalides.","Organic letters","2005","7","14","2865","2867","10.1021/ol050778v","","","0.71073","MoKα","","0.0613","0.0501","","","0.1207","0.1313","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506586","6.2725","0.0001","10.1448","0.0003","31.1819","0.0005","90","","90","","90","","1984.21","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 F7 N2 O2 S -","- C21 H13 F7 N2 O2 S -","- C84 H52 F28 N8 O8 S4 -","4","1","","Carreño, M Carmen; García, Isabel; Ribagorda, María; Merino, Estíbaliz; Pieraccini, Silvia; Spada, Gian Piero","Enantiopure sulfinyl azobenzenes as chiroptical switches.","Organic letters","2005","7","14","2869","2872","10.1021/ol050789o","","","1.54178","CuKα","","0.0466","0.0442","","","0.1093","0.1116","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506587","11.739","0.0002","9.94","0.0002","31.993","0.0006","90","","90","","90","","3733.12","0.12","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C144 H240 O48 -","8","1","","Denekamp, C.; Gottlieb, L.; Tamiri, T.; Tsoglin, A.; Shilav, R.; Kapon, M.","Two separable conformers of TATP and analogues exist at room temperature.","Organic letters","2005","7","12","2461","2464","10.1021/ol050801c","","","0.71073","MoKα","","0.0654","0.0378","","","0.0936","0.0989","","","","","","0.886","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506588","10.937","0.004","11.046","0.004","16.161","0.006","88.315","0.007","79.184","0.008","88.986","0.008","1916.8","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 N2 O -","- C23 H24 N2 O -","- C92 H96 N8 O4 -","4","2","","Clayden, Jonathan; Turner, Hazel; Pickworth, Mark; Adler, Thomas","Ring-selective functionalization of N,N'-diarylureas by regioselective N-alkylation and directed ortho metalation.","Organic letters","2005","7","15","3147","3150","10.1021/ol0508025","","","0.71073","MoKα","","0.1865","0.0634","","","0.1321","0.1646","","","","","","0.761","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506589","13.118","0.003","31.435","0.008","7.245","0.001","90","","90","","90","","2987.6","1.1","290","2","290","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C31 H54 O3 -","- C31 H52 O3 -","- C124 H208 O12 -","4","1","","Cai, Xiang-Hai; Luo, Xiao-Dong; Zhou, Jun; Hao, Xiao-Jiang","Compound representatives of a new type of triterpenoid from Aglaia odorata.","Organic letters","2005","7","14","2877","2879","10.1021/ol050805h","","","0.71073","MoKα","","0.1609","0.0621","","","0.1272","0.1451","","","","","","0.94","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506590","15.6736","0.0016","11.2374","0.0011","28.466","0.003","90","","103.342","0.002","90","","4878.4","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H53 Cl O4 P2 Pd Si2 -","- C53 H53 Cl O4 P2 Pd Si2 -","- C212 H212 Cl4 O16 P8 Pd4 Si8 -","4","2","","Ogasawara, Masamichi; Ngo, Helen L.; Sakamoto, Takeshi; Takahashi, Tamotsu; Lin, Wenbin","Applications of 4,4'-(Me3Si)2-BINAP in transition-metal-catalyzed asymmetric carbon-carbon bond-forming reactions.","Organic letters","2005","7","14","2881","2884","10.1021/ol050834s","","","0.71073","MoKα","","0.1299","0.081","","","0.1231","0.1399","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506591","10.692","0.004","11.712","0.005","16.162","0.006","91.492","0.008","99.888","0.008","99.806","0.008","1961.5","1.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H3 F15 O Si -","- C19 H3 F15 O Si -","- C76 H12 F60 O4 Si4 -","4","2","","Dilman, Alexander D.; Belyakov, Pavel A.; Korlyukov, Alexander A.; Struchkova, Marina I.; Tartakovsky, Vladimir A.","Synthesis of pentafluorophenylmethylamines via silicon Mannich reaction.","Organic letters","2005","7","14","2913","2915","10.1021/ol050845l","","","0.71073","MoKα","","0.0666","0.0474","","","0.102","0.111","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506592","6.1898","0.0011","13.115","0.002","18.506","0.003","90","","90","","90","","1502.3","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F5 N O -","- C17 H14 F5 N O -","- C68 H56 F20 N4 O4 -","4","1","","Dilman, Alexander D.; Belyakov, Pavel A.; Korlyukov, Alexander A.; Struchkova, Marina I.; Tartakovsky, Vladimir A.","Synthesis of pentafluorophenylmethylamines via silicon Mannich reaction.","Organic letters","2005","7","14","2913","2915","10.1021/ol050845l","","","0.71073","MoKα","","0.0709","0.0527","","","0.1112","0.1178","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506593","16.846","0.008","18.842","0.008","11.732","0.005","90","","121.761","0.005","90","","3166","2","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C136 H208 O32 -","8","1","","Li, Wei-Dong Z; Gao, Zhang-Hua","A novel stereocontrolled approach to eudesmanolides: total synthesis of (+/-)-gallicadiol and (+/-)-isogallicadiol.","Organic letters","2005","7","14","2917","2920","10.1021/ol050850p","","","0.71073","MoKα","","0.0475","0.0375","","","0.0988","0.1048","","","","","","1.055","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506594","9.757","0.009","10.998","0.008","16.41","0.02","98.73","0.08","91.47","0.07","101.8","0.07","1701","3","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H53 B F4 I O6 -","- C31 H30 B F4 I O6 -","- C62 H60 B2 F8 I2 O12 -","2","1","","Ochiai, Masahito; Suefuji, Takashi; Miyamoto, Kazunori; Shiro, Motoo","Effects of complexation with 18-crown-6 on the hypernucleofugality of phenyl-lambda3-iodanyl groups. Synthesis of vinyl-lambda3-iodane.18-crown-6 complex.","Organic letters","2005","7","14","2893","2896","10.1021/ol050858z","","","0.7107","MoKα","","","0.083","","","","0.22","","","","","","1.472","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506595","7.8623","0.0001","15.1731","0.0002","17.1191","0.0003","74.7278","0.0007","85.9386","0.0007","84.9098","0.0007","1959.95","0.05","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N2 Si -","- C46 H50 N2 Si2 -","- C92 H100 N4 Si4 -","2","1","","Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.","Synthesis and characterization of electron-deficient pentacenes.","Organic letters","2005","7","15","3163","3166","10.1021/ol050872b","","","0.71073","MoKα","","0.074","0.0611","","","0.1396","0.1438","","","","","","1.234","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506596","25.6777","0.0006","7.359","0.0002","22.1035","0.0006","90","","97.9757","0.0012","90","","4136.32","0.19","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 N4 Si2 -","- C48 H50 N4 Si2 -","- C192 H200 N16 Si8 -","4","0.5","","Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.","Synthesis and characterization of electron-deficient pentacenes.","Organic letters","2005","7","15","3163","3166","10.1021/ol050872b","","","0.71073","MoKα","","0.1084","0.0506","","","0.1043","0.1235","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506597","9.1268","0.0002","13.829","0.0003","16.6202","0.0004","72.3531","0.001","83.9322","0.0009","87.7702","0.0009","1987.75","0.08","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 Br2 Si2 -","- C44 H52 Br2 Si2 -","- C88 H104 Br4 Si4 -","2","1","","Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.","Synthesis and characterization of electron-deficient pentacenes.","Organic letters","2005","7","15","3163","3166","10.1021/ol050872b","","","0.71073","MoKα","","0.0842","0.049","","","0.1126","0.1268","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506598","7.5485","0.0002","7.7478","0.0003","16.8801","0.0006","89.4411","0.0013","78.6534","0.0014","87.0802","0.0012","966.67","0.06","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 F4 Si2 -","- C44 H50 F4 Si2 -","- C44 H50 F4 Si2 -","1","0.5","","Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.","Synthesis and characterization of electron-deficient pentacenes.","Organic letters","2005","7","15","3163","3166","10.1021/ol050872b","","","0.71073","MoKα","","0.0988","0.0711","","","0.1669","0.1768","","","","","","1.622","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506599","7.7182","0.0003","15.5451","0.0005","16.8752","0.0007","102.247","0.0014","92.6664","0.0015","91.5455","0.0015","1975.07","0.13","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 F8 Si2 -","- C44 H46 F8 Si2 -","- C88 H92 F16 Si4 -","2","1","","Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.","Synthesis and characterization of electron-deficient pentacenes.","Organic letters","2005","7","15","3163","3166","10.1021/ol050872b","","","0.71073","MoKα","","0.1176","0.062","","","0.1439","0.1681","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506600","8.675","0.0002","17.632","0.0004","14.657","0.0003","90","","105.824","0.0008","90","","2156.94","0.08","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Br4 Si2 -","- C44 H50 Br4 Si2 -","- C88 H100 Br8 Si4 -","2","0.5","","Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.","Synthesis and characterization of electron-deficient pentacenes.","Organic letters","2005","7","15","3163","3166","10.1021/ol050872b","","","0.71073","MoKα","","0.1068","0.0575","","","0.1342","0.1533","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506601","7.5381","0.0009","8.2908","0.001","17.803","0.002","90","","90","","90","","1112.6","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C40 H60 N4 O16 -","4","1","","Reddy, Leleti Rajender; Saravanan, P.; Fournier, Jean-François; Subba Reddy, B. V.; Corey, E. J.","Simple enantiospecific syntheses of the C(2)-diastereomers of omuralide and 3-methylomuralide.","Organic letters","2005","7","13","2703","2705","10.1021/ol050874w","","","0.71073","MoKα","","0.0419","0.0367","","","0.0995","0.1019","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506602","6.4186","0.001","11.8863","0.0013","31.835","0.003","90","","90","","90","","2428.8","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(2S,4S,5R)-5-phenyl-4-(phenylsulfonyl) tetrahydro-2-furanyl]methyl (-)-camphanate","[(2S,4S,5R)-5-phenyl-4-(phenylsulfonyl)tetrahydro-2-furanyl] methyl(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo [2.2.1]heptane-1-carboxylate","","- C27 H30 O7 S -","- C27 H30 O7 S -","- C108 H120 O28 S4 -","4","1","","Makosza, Mieczysław; Barbasiewicz, Michał; Krajewski, Dariusz","Diastereoselective synthesis of tetrahydrofurans via reaction of gamma,delta-epoxycarbanions with aldehydes.","Organic letters","2005","7","14","2945","2948","10.1021/ol0509080","","","0.71073","MoKα","","0.052","0.0383","","","0.0676","0.0718","","","","","","0.962","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506603","6.0067","0.0004","11.6597","0.001","35.632","0.005","90","","90","","90","","2495.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(2S,4R,5S)-5-phenyl-4-(phenylsulfonyl) tetrahydro-2-furanyl]methyl (-)-camphanate","[(2S,4R,5S)-5-phenyl-4-(phenylsulfonyl)tetrahydro-2-furanyl] methyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1] heptane-1-carboxylate","","- C27 H30 O7 S -","- C27 H30 O7 S -","- C108 H120 O28 S4 -","4","1","","Makosza, Mieczysław; Barbasiewicz, Michał; Krajewski, Dariusz","Diastereoselective synthesis of tetrahydrofurans via reaction of gamma,delta-epoxycarbanions with aldehydes.","Organic letters","2005","7","14","2945","2948","10.1021/ol0509080","","","1.54184","CuKα","","0.1378","0.0553","","","0.1235","0.1545","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506604","22.936","0.0005","9.075","0.0002","21.087","0.0006","90","","111.338","0.001","90","","4088.26","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Br O3 S -","- C23 H19 Br O3 S -","- C184 H152 Br8 O24 S8 -","8","1","","Yamaguchi, Torahiko; Yamamoto, Yohsuke; Fujiwara, Yoshihisa; Tanimoto, Yoshifumi","Evidence for a transition state model compound of in-plane vinylic SN2 reaction.","Organic letters","2005","7","13","2739","2742","10.1021/ol050961o","","","0.71069","MoKα","","0.0906","0.0666","","","0.2392","0.2594","","","","","","2.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506605","14.1517","0.0004","11.8995","0.0003","24.3178","0.0005","90","","92.786","0.001","90","","4090.23","0.18","140","1","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C57 H38 N4 Zn -","- C57.1 H30.25 N4 Zn -","- C228.4 H121 N16 Zn4 -","4","1","","Cammidge, Andrew N.; Scaife, Peter J.; Berber, Gûlen; Hughes, David L.","Cofacial porphyrin-ferrocene dyads and a new class of conjugated porphyrin.","Organic letters","2005","7","16","3413","3416","10.1021/ol050962g","","x-ray","0.71073","MoKα","","0.0574","0.0418","","","0.1052","0.1157","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506606","7.566","0.0014","12.748","0.002","13.632","0.003","90","","90","","90","","1314.8","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Koo, Bonsuk; McDonald, Frank E.","Synthesis of the branched C-glycoside substructure of altromycin B.","Organic letters","2005","7","17","3621","3624","10.1021/ol050975u","","","1.54178","CuKα","","0.0366","0.0336","","","0.0814","0.0842","","","","","","1.148","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506607","8.2807","0.0005","12.6741","0.0008","15.0669","0.0009","90","","90","","90","","1581.28","0.17","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Koo, Bonsuk; McDonald, Frank E.","Synthesis of the branched C-glycoside substructure of altromycin B.","Organic letters","2005","7","17","3621","3624","10.1021/ol050975u","","","0.71073","MoKα","","0.0408","0.0375","","","0.0835","0.0849","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506608","8.7351","0.0007","18.9978","0.0016","18.1131","0.0016","90","","95.539","0.002","90","","2991.8","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1-(2-nitrobenzyl)-1,4,8,11-tetraaza-cyclotetradecane)nickel(II)ditriflate","","- C20 H33 F6 N5 Ni O9 S2 -","- C20 H33 F6 N5 Ni O9 S2 -","- C80 H132 F24 N20 Ni4 O36 S8 -","4","1","","Boiocchi, Massimo; Fabbrizzi, Luigi; Foti, Francesco; Monzani, Enrico; Poggi, Antonio","Dramatically enhanced carbon acidity of the nitrobenzyl fragment in a nickel(II) scorpionate complex.","Organic letters","2005","7","16","3417","3420","10.1021/ol050981q","","","0.71073","MoKα","","0.0976","0.0859","","","0.2033","0.2099","","","","","","1.224","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506609","7.1606","0.0001","8.5952","0.0001","11.1713","0.0001","90","","103.787","0.001","90","","667.748","0.014","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 I N O -","- C14 H14 I N O -","- C28 H28 I2 N2 O2 -","2","1","","King, H. Dalton; Meng, Zhaoxing; Denhart, Derek; Mattson, Ronald; Kimura, Roy; Wu, Dedong; Gao, Qi; Macor, John E.","Enantioselective synthesis of a highly potent selective serotonin reuptake inhibitor. An application of imidazolidinone catalysis to the alkylation of indoles with an alpha,beta-disubstituted alpha,beta-unsaturated aldehyde.","Organic letters","2005","7","16","3437","3440","10.1021/ol051000c","","","1.54178","CuKα","","0.0795","0.0792","","","0.2106","0.2115","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506610","9.0617","0.0001","9.9837","0.0001","18.1625","0.0002","90","","90","","90","","1643.15","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Cl N3 -","- C17 H22 Cl N3 -","- C68 H88 Cl4 N12 -","4","1","","King, H. Dalton; Meng, Zhaoxing; Denhart, Derek; Mattson, Ronald; Kimura, Roy; Wu, Dedong; Gao, Qi; Macor, John E.","Enantioselective synthesis of a highly potent selective serotonin reuptake inhibitor. An application of imidazolidinone catalysis to the alkylation of indoles with an alpha,beta-disubstituted alpha,beta-unsaturated aldehyde.","Organic letters","2005","7","16","3437","3440","10.1021/ol051000c","","","1.54178","CuKα","","0.0275","0.0272","","","0.0743","0.0746","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506611","10.0462","0.0007","5.387","0.0004","19.6191","0.0014","90","","100.504","0.002","90","","1043.97","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O5 -","- C23 H23 Br O5 -","- C46 H46 Br2 O10 -","2","1","","Su, Shun; Acquilano, Dayle E.; Arumugasamy, Jeevanandam; Beeler, Aaron B.; Eastwood, Erin L.; Giguere, Joshua R.; Lan, Ping; Lei, Xiaoguang; Min, Geanna K.; Yeager, Adam R.; Zhou, Ya; Panek, James S.; Snyder, John K.; Schaus, Scott E.; Porco, Jr, John A","Convergent synthesis of a complex oxime library using chemical domain shuffling.","Organic letters","2005","7","13","2751","2754","10.1021/ol051023r","","","0.71073","MoKα","","0.0539","0.0384","","","0.0819","0.0869","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506612","13.2845","0.0006","7.8086","0.0004","15.4619","0.0007","90","","101.82","0.001","90","","1569.91","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 N O5 -","- C15 H17 Cl2 N O5 -","- C60 H68 Cl8 N4 O20 -","4","1","","Su, Shun; Acquilano, Dayle E.; Arumugasamy, Jeevanandam; Beeler, Aaron B.; Eastwood, Erin L.; Giguere, Joshua R.; Lan, Ping; Lei, Xiaoguang; Min, Geanna K.; Yeager, Adam R.; Zhou, Ya; Panek, James S.; Snyder, John K.; Schaus, Scott E.; Porco, Jr, John A","Convergent synthesis of a complex oxime library using chemical domain shuffling.","Organic letters","2005","7","13","2751","2754","10.1021/ol051023r","","","0.71073","MoKα","","0.0646","0.0538","","","0.1591","0.1665","","","","","","1.275","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506613","7.2933","0.001","8.2345","0.0012","24.418","0.003","90","","90","","90","","1466.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C64 H60 N12 O20 -","4","1","","Su, Shun; Acquilano, Dayle E.; Arumugasamy, Jeevanandam; Beeler, Aaron B.; Eastwood, Erin L.; Giguere, Joshua R.; Lan, Ping; Lei, Xiaoguang; Min, Geanna K.; Yeager, Adam R.; Zhou, Ya; Panek, James S.; Snyder, John K.; Schaus, Scott E.; Porco, Jr, John A","Convergent synthesis of a complex oxime library using chemical domain shuffling.","Organic letters","2005","7","13","2751","2754","10.1021/ol051023r","","","0.71073","MoKα","","0.085","0.0519","","","0.0941","0.1045","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506614","10.616","0.003","6.7014","0.0018","10.72","0.003","90","","98.568","0.002","90","","754.1","0.4","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O S2 -","- C15 H23 N O S2 -","- C30 H46 N2 O2 S4 -","2","1","","Smith, 3rd, Amos B; Kim, Dae-Shik","Total synthesis of the neotropical poison-frog alkaloid (-)-205B.","Organic letters","2005","7","15","3247","3250","10.1021/ol0510264","","","0.71069","MoKα","","0.0417","0.0365","","","0.0818","0.0873","","","","","","0.998","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506615","10.3309","0.0009","9.9971","0.0009","16.1798","0.0015","90","","93.954","0.001","90","","1667.1","0.3","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","MacKay, James A.; Bishop, Raynauld L.; Rawal, Viresh H.","Rapid synthesis of the N-methylwelwitindolinone skeleton.","Organic letters","2005","7","16","3421","3424","10.1021/ol051043t","","","0.71073","MoKα","","0.0929","0.0914","","","0.1678","0.1684","","","","","","1.49","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506616","11.8337","0.0013","17.2263","0.0018","9.9628","0.001","90","","106.88","0.002","90","","1943.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Shi, Yong-Ling; Shi, Min","DABCO-catalyzed reaction of allenic esters and ketones with salicyl N-tosylimines: synthesis of highly functionalized chromenes.","Organic letters","2005","7","14","3057","3060","10.1021/ol051044l","","","0.71073","MoKα","","0.1008","0.0642","","","0.1617","0.1801","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506617","15.9518","0.0012","12.6973","0.0009","19.0989","0.0013","90","","90","","90","","3868.4","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C160 H168 N8 O40 S8 -","8","1","","Shi, Yong-Ling; Shi, Min","DABCO-catalyzed reaction of allenic esters and ketones with salicyl N-tosylimines: synthesis of highly functionalized chromenes.","Organic letters","2005","7","14","3057","3060","10.1021/ol051044l","","","0.71073","MoKα","","0.0523","0.0435","","","0.1235","0.129","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506618","6.1618","0.0002","32.2387","0.001","13.1435","0.0004","90","","90.552","0.002","90","","2610.81","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O12 -","- C25 H36 O12 -","- C100 H144 O48 -","4","2","","Harding, Wayne W.; Tidgewell, Kevin; Schmidt, Matthew; Shah, Kushal; Dersch, Christina M.; Snyder, John; Parrish, Damon; Deschamps, Jeffrey R.; Rothman, Richard B.; Prisinzano, Thomas E.","Salvinicins A and B, new neoclerodane diterpenes from Salvia divinorum.","Organic letters","2005","7","14","3017","3020","10.1021/ol0510522","","","1.54178","CuKα","","0.074","0.0654","","","0.1755","0.1854","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506619","6.3731","0.0006","18.988","0.002","21.365","0.002","90","","90","","90","","2585.4","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Cl2 O8 -","- C28 H28 Cl2 O8 -","- C112 H112 Cl8 O32 -","4","1","","Harding, Wayne W.; Tidgewell, Kevin; Schmidt, Matthew; Shah, Kushal; Dersch, Christina M.; Snyder, John; Parrish, Damon; Deschamps, Jeffrey R.; Rothman, Richard B.; Prisinzano, Thomas E.","Salvinicins A and B, new neoclerodane diterpenes from Salvia divinorum.","Organic letters","2005","7","14","3017","3020","10.1021/ol0510522","","","1.54178","CuKα","","0.0882","0.0579","","","0.147","0.1677","","","","","","0.997","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506620","16.412","0.001","5.944","0.001","14.762","0.001","90","","95.14","0.01","90","","1434.3","0.3","223","2","223","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H23 N O -","- C15 H23 N O -","- C60 H92 N4 O4 -","4","1","","Bilke, Julia Luzia; Dzuganova, Monika; Fröhlich, Roland; Würthwein, Ernst-Ulrich","Diastereoselective one-step synthesis of functionalized cis-aziridinyl alcohols from oxiranyl carbaldimines.","Organic letters","2005","7","15","3267","3270","10.1021/ol051090l","","","1.54178","CuKα","","0.0493","0.0453","","","0.1278","0.1315","","","","","","1.094","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506621","12.564","0.001","17.312","0.002","15.925","0.001","90","","93.98","0.01","90","","3455.5","0.5","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O -","- C19 H23 N O -","- C152 H184 N8 O8 -","8","2","","Bilke, Julia Luzia; Dzuganova, Monika; Fröhlich, Roland; Würthwein, Ernst-Ulrich","Diastereoselective one-step synthesis of functionalized cis-aziridinyl alcohols from oxiranyl carbaldimines.","Organic letters","2005","7","15","3267","3270","10.1021/ol051090l","","","1.54178","CuKα","","0.0768","0.0489","","","0.1373","0.1589","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506622","10.981","0.002","11.422","0.002","13.65","0.002","86.71","0.01","68.26","0.01","76.87","0.01","1548","0.5","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O -","- C16 H25 N O -","- C64 H100 N4 O4 -","4","2","","Bilke, Julia Luzia; Dzuganova, Monika; Fröhlich, Roland; Würthwein, Ernst-Ulrich","Diastereoselective one-step synthesis of functionalized cis-aziridinyl alcohols from oxiranyl carbaldimines.","Organic letters","2005","7","15","3267","3270","10.1021/ol051090l","","","1.54178","CuKα","","0.0464","0.0436","","","0.116","0.1193","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506623","5.9338","0.0005","8.0456","0.0007","24.269","0.002","90","","90","","90","","1158.63","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","04359","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Shen, Lichun; Hsung, Richard P.; Zhang, Yanshi; Antoline, Jennifer E.; Zhang, Xuejun","Copper-catalyzed stereospecific N-allenylations of amides. Syntheses of optically enriched chiral allenamides.","Organic letters","2005","7","14","3081","3084","10.1021/ol051094q","","","0.71073","MoKα","","0.0496","0.0361","","","0.0809","0.0869","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506624","12.8162","0.0014","12.8977","0.0011","16.356","0.0015","90","","109.913","0.007","90","","2542","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O5 -","- C30 H28 O5 -","- C120 H112 O20 -","4","1","","Andrus, Merritt B.; Liu, Jing; Ye, Zhifeng; Cannon, John F.","Asymmetric glycolate aldol reactions using cinchonium phase-transfer catalysts.","Organic letters","2005","7","18","3861","3864","10.1021/ol051096a","","","0.71073","MoKα","","0.096","0.0511","","","0.1101","0.1293","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506625","8.8004","0.0003","12.0028","0.0004","26.0589","0.0008","90","","90","","90","","2752.59","0.16","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 O6 -","- C32 H30 O6 -","- C128 H120 O24 -","4","1","","Andrus, Merritt B.; Liu, Jing; Ye, Zhifeng; Cannon, John F.","Asymmetric glycolate aldol reactions using cinchonium phase-transfer catalysts.","Organic letters","2005","7","18","3861","3864","10.1021/ol051096a","","","1.54178","CuKα","","0.0624","0.0323","","","0.0823","0.116","","","","","","1.281","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506626","9.8452","0.0002","10.5613","0.0003","14.8694","0.0005","104.192","0.002","91.189","0.002","104.922","0.001","1442.54","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H32 O5 -","- C36 H32 O5 -","- C72 H64 O10 -","2","1","","Andrus, Merritt B.; Liu, Jing; Ye, Zhifeng; Cannon, John F.","Asymmetric glycolate aldol reactions using cinchonium phase-transfer catalysts.","Organic letters","2005","7","18","3861","3864","10.1021/ol051096a","","","1.54178","CuKα","","0.0816","0.0696","","","0.1838","0.1961","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506627","12.2933","0.0004","12.9966","0.0004","15.9109","0.0006","90","","109.518","0.002","90","","2396.02","0.14","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","Andrus, Merritt B.; Liu, Jing; Ye, Zhifeng; Cannon, John F.","Asymmetric glycolate aldol reactions using cinchonium phase-transfer catalysts.","Organic letters","2005","7","18","3861","3864","10.1021/ol051096a","","","1.54178","CuKα","","0.0454","0.041","","","0.1198","0.1225","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506628","8.3834","0.0005","18.8291","0.0011","10.2686","0.0006","90","","98.088","0.001","90","","1604.79","0.16","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H51 Cl N4 O7 Rh2 -","- C27 H51 Cl N4 O7 Rh2 -","- C54 H102 Cl2 N8 O14 Rh4 -","2","1","","Catino, Arthur J.; Nichols, Jason M.; Forslund, Raymond E.; Doyle, Michael P.","Efficient aziridination of olefins catalyzed by mixed-valent dirhodium(II,III) caprolactamate.","Organic letters","2005","7","13","2787","2790","10.1021/ol0510973","","","0.71073","MoKα","","0.0334","0.0267","","","0.0597","0.0623","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506629","9.322","0.003","28.033","0.01","25.438","0.009","90","","92.491","0.008","90","","6641","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cl2 Se -","- C38 H28 Cl2 Se -","- C304 H224 Cl16 Se8 -","8","2","","Shi, Min; Liu, Le-Ping; Tang, Jie","Enynylation of 2-iodo-4-(phenylchalcogenyl)-1-butenes via intramolecular chelation: approach to the synthesis of conjugated dienynes or trienynes.","Organic letters","2005","7","14","3085","3088","10.1021/ol051101a","","","0.71073","MoKα","","0.2273","0.085","","","0.2072","0.2479","","","","","","0.808","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506630","11.602","0.002","10.937","0.002","13.353","0.003","90","","91.68","0.03","90","","1693.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O4 S -","- C15 H20 N2 O4 S -","- C60 H80 N8 O16 S4 -","4","1","","Shi, Weifeng; Zhang, Bo; Zhang, Jian; Liu, Binge; Zhang, Shiwei; Wang, Jianbo","Stereoselective intramolecular 1,3 C-H insertion in Rh(II) carbene reactions.","Organic letters","2005","7","14","3103","3106","10.1021/ol051130l","","","0.71073","MoKα","","0.0827","0.0425","","","0.0914","0.0989","","","","","","0.928","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506631","9.3162","0.0019","17.8","0.004","9.36","0.0019","90","","107.19","0.03","90","","1482.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C56 H72 O16 S4 -","4","1","","Shi, Weifeng; Zhang, Bo; Zhang, Jian; Liu, Binge; Zhang, Shiwei; Wang, Jianbo","Stereoselective intramolecular 1,3 C-H insertion in Rh(II) carbene reactions.","Organic letters","2005","7","14","3103","3106","10.1021/ol051130l","","","0.71073","MoKα","","0.0868","0.054","","","0.1576","0.1729","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506632","9.0592","0.0018","9.6194","0.0019","12.332","0.003","94.17","0.03","104.87","0.03","117.63","0.03","896.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 O4 S -","- C18 H24 O4 S -","- C36 H48 O8 S2 -","2","1","","Shi, Weifeng; Zhang, Bo; Zhang, Jian; Liu, Binge; Zhang, Shiwei; Wang, Jianbo","Stereoselective intramolecular 1,3 C-H insertion in Rh(II) carbene reactions.","Organic letters","2005","7","14","3103","3106","10.1021/ol051130l","","","0.71073","MoKα","","0.0652","0.0459","","","0.1275","0.1348","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506633","8.9507","0.0008","25.614","0.002","30.16","0.003","90","","90","","90","","6914.6","1.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br O -","- C16 H19 Br O -","- C320 H380 Br20 O20 -","20","5","","Li, Wei-Dong Z; Yang, Yu-Rong","Unusual cyclopropanation of 9-bromocamphor derivatives: a novel formal C(1)-C(7) bond cleavage of camphor.","Organic letters","2005","7","14","3107","3110","10.1021/ol051141e","","","0.71073","MoKα","","0.1065","0.0427","","","0.0541","0.0628","","","","","","0.908","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506634","7.2349","0.0015","7.3055","0.0015","44.21","0.009","90","","90","","90","","2336.7","0.8","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 Br O2 -","- C11 H19 Br O2 -","- C88 H152 Br8 O16 -","8","2","","Li, Wei-Dong Z; Yang, Yu-Rong","Unusual cyclopropanation of 9-bromocamphor derivatives: a novel formal C(1)-C(7) bond cleavage of camphor.","Organic letters","2005","7","14","3107","3110","10.1021/ol051141e","","","0.71073","MoKα","","0.0921","0.0647","","","0.1417","0.149","","","","","","1.084","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506635","8.333","0.002","9.435","0.002","17.078","0.004","100.347","0.004","94.628","0.004","106.942","0.004","1250.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1a","","","- C25 H14 F6 S6 -","- C25 H14 F6 S6 -","- C50 H28 F12 S12 -","2","1","","Moriyama, Yoshihisa; Matsuda, Kenji; Tanifuji, Naoki; Irie, Setsuko; Irie, Masahiro","Electrochemical cyclization/cycloreversion reactions of diarylethenes.","Organic letters","2005","7","15","3315","3318","10.1021/ol051149o","","","0.71073","MoKα","","0.0963","0.0772","","","0.2052","0.2237","","","","","","1.011","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506636","6.3088","0.0002","12.2906","0.0007","15.0145","0.0009","90","","90","","90","","1164.21","0.1","200","1","200","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O -","- C14 H20 O -","- C56 H80 O4 -","4","1","","Mazzola, Jr, Robert D; White, Timothy D.; Vollmer-Snarr, Heidi R; West, F. G.","Stereoselective Nazarov cyclizations of bridged bicyclic dienones.","Organic letters","2005","7","13","2799","2801","10.1021/ol051169q","","","0.71073","MoKα","","0.0814","0.0537","","","0.113","0.1281","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506637","9.3865","0.0008","21.2279","0.0017","18.8177","0.0015","90","","91.394","0.001","90","","3748.4","0.5","167","2","167","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound 4 acetone solvate","4,6,16,18,31,33-hexanitro-2,8,14,20,29,35- hexaoxabicyclocalix[4]arene","","- C36 H24 N6 O20 -","- C36 H24 N6 O20 -","- C144 H96 N24 O80 -","4","0.5","","Katz, Jeffrey L.; Selby, Kevin J.; Conry, Rebecca R.","Single-step synthesis of D3h-symmetric bicyclooxacalixarenes.","Organic letters","2005","7","16","3505","3507","10.1021/ol051180q","","","0.71073","MoKα","","0.0627","0.0559","","","0.1647","0.1712","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506638","15.8519","0.0011","11.8209","0.0008","21.1429","0.0015","90","","105.66","0.001","90","","3814.8","0.5","167","2","167","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 10 ethyl acetate solvate","4,6,16,18,31,33-hexacyano-25,27,36-triaza- 2,8,14,20,29,35-hexaoxabicyclocalix[4]arene","","- C41 H25 N9 O10 -","- C41 H25 N9 O10 -","- C164 H100 N36 O40 -","4","1","","Katz, Jeffrey L.; Selby, Kevin J.; Conry, Rebecca R.","Single-step synthesis of D3h-symmetric bicyclooxacalixarenes.","Organic letters","2005","7","16","3505","3507","10.1021/ol051180q","","","0.71073","MoKα","","0.0594","0.0519","","","0.1476","0.1536","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506639","14.3969","0.0017","7.248","0.0008","19.347","0.002","90","","111.413","0.002","90","","1879.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl2 N2 O3 -","- C19 H20 Cl2 N2 O3 -","- C76 H80 Cl8 N8 O12 -","4","1","","Clayden, Jonathan; Hamilton, Stuart D.; Mohammed, Rukhsana T.","Cyclization of lithiated pyridine and quinoline carboxamides: synthesis of partially saturated pyrrolopyridines and spirocyclic beta-lactams.","Organic letters","2005","7","17","3673","3676","10.1021/ol051214u","","","0.71073","MoKα","","0.0565","0.0398","","","0.0914","0.1091","","","","","","0.956","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506640","9.873","0.001","12.734","0.001","13.85","0.002","88.64","0.01","89.51","0.01","86.93","0.01","1738.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 S4 Si2 -","- C38 H34 S4 Si2 -","- C76 H68 S8 Si4 -","2","1","","Nicolas, Yohann; Blanchard, Philippe; Roncali, Jean; Allain, Magali; Mercier, Nicolas; Deman, Anne-Laure; Tardy, Jacques","Synthesis of a thermally stable hybrid acene-thiophene organic semiconductor via a soluble precursor.","Organic letters","2005","7","16","3513","3516","10.1021/ol051224v","","","0.71073","MoKα","","0.1073","0.0393","","","0.0731","0.0911","","","","","","0.863","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506641","10.464","0.002","20.06","0.002","42.729","0.006","90","","95.82","0.02","90","","8923","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H57 S3 Si6 -","- C30 H57 S3 Si6 -","- C240 H456 S24 Si48 -","8","1","","Nicolas, Yohann; Blanchard, Philippe; Roncali, Jean; Allain, Magali; Mercier, Nicolas; Deman, Anne-Laure; Tardy, Jacques","Synthesis of a thermally stable hybrid acene-thiophene organic semiconductor via a soluble precursor.","Organic letters","2005","7","16","3513","3516","10.1021/ol051224v","","","0.71073","MoKα","","0.2826","0.1654","","","0.3702","0.4351","","","","","","0.937","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506642","7.259","0.002","11.372","0.004","12.832","0.006","115.87","0.03","100.92","0.03","95.2","0.03","917.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H9 N9 O3 -","- C18 H9 N9 O3 -","- C36 H18 N18 O6 -","2","1","","Chang, Tsu-Hsin; Wu, Bi-Ru; Chiang, Michael Y.; Liao, Su-Chih; Ong, Chi Wi; Hsu, Hsiu-Fu; Lin, Shu-Yu","Synthesis and mesomorphic behavior of a donor-acceptor-type hexaazatriphenylene.","Organic letters","2005","7","19","4075","4078","10.1021/ol051231j","","","0.71073","MoKα","","0.1638","0.0513","","","0.1364","0.1831","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506643","6.2361","0.0012","9.666","0.002","25.314","0.005","90","","90","","90","","1525.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C56 H100 N4 O20 -","4","1","","Cren, Sylvaine; Wilson, Claire; Thomas, Neil R.","A rapid synthesis of hexofuranose-like iminosugars using ring-closing metathesis.","Organic letters","2005","7","16","3521","3523","10.1021/ol051232b","","","0.71073","MoKα","","0.059","0.0536","","","0.1374","0.1419","","","","","","1.165","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506644","9.6372","0.0012","12.27","0.002","10.3017","0.0013","90","","91.837","0.002","90","","1217.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Baudoux, Jérôme; Blake, Alexander J.; Simpkins, Nigel S.","Rapid access to the Welwitindolinone alkaloid skeleton by cyclization of indolecarboxaldehyde substituted cyclohexanones.","Organic letters","2005","7","19","4087","4089","10.1021/ol051239t","","","0.71073","MoKα","","0.0483","0.0428","","","0.12","0.125","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506645","10.4622","0.0016","24.02","0.004","10.5456","0.0017","90","","99.629","0.004","90","","2612.8","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N O3 P -","- C30 H28 N O3 P -","- C120 H112 N4 O12 P4 -","4","1","","Wipf, Peter; Pierce, Joshua G.","Synthesis of homoallylic amines by hydrozirconation-imine addition of allenes.","Organic letters","2005","7","16","3537","3540","10.1021/ol051266j","","","0.71073","MoKα","","0.2941","0.2114","","","0.3576","0.399","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506646","10.9347","0.0005","13.4323","0.0006","19.5642","0.0009","90.802","0.001","90.893","0.001","105.947","0.001","2762.1","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 N O P Si -","- C28 H36 N O P Si -","- C112 H144 N4 O4 P4 Si4 -","4","2","","Wipf, Peter; Pierce, Joshua G.","Synthesis of homoallylic amines by hydrozirconation-imine addition of allenes.","Organic letters","2005","7","16","3537","3540","10.1021/ol051266j","","","0.71073","MoKα","","0.1128","0.0644","","","0.1601","0.1745","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506647","5.52","0.003","8.698","0.004","16.224","0.007","90","","98.12","0.007","90","","771.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 N2 O3 -","- C7 H12 N2 O3 -","- C28 H48 N8 O12 -","4","1","","Moon, Bongjin; Han, Sangbae; Kim, Dohyung","Efficient synthesis of highly functionalized cyclic aminimides.","Organic letters","2005","7","15","3359","3361","10.1021/ol051270v","","","0.71073","MoKα","","0.1351","0.0799","","","0.1549","0.1774","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506648","6.8895","0.0014","7.8323","0.0016","16.708","0.004","90","","90","","90","","901.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 O4 P -","- C8 H11 O4 P -","- C32 H44 O16 P4 -","4","1","","Whitehead, Alan; McReynolds, Matthew D.; Moore, Joel D.; Hanson, Paul R.","Multivalent activation in temporary phosphate tethers: a new tether for small molecule synthesis.","Organic letters","2005","7","15","3375","3378","10.1021/ol0512886","","","0.71073","MoKα","","0.0296","0.0292","","","0.0994","0.1012","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506649","12.77","0.01","17.9","0.02","9.388","0.005","97.01","0.06","98.04","0.05","98.57","0.07","2079","3","298.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N2 O4 S4 -","- C40 H54 N2 O4 S4 -","- C80 H108 N4 O8 S8 -","2","1","","Takahashi, Toshiaki; Takimiya, Kazuo; Otsubo, Tetsuo; Aso, Yoshio","Synthesis and spectral properties of a highly soluble push-pull type of quinoidal thiophenes.","Organic letters","2005","7","20","4313","4316","10.1021/ol0513037","","","0.7107","MoKα","","","0.06","","","","0.281","","","","","","0.817","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506650","13.6057","0.0009","19.0409","0.0012","14.9447","0.001","90","","102.454","0.001","90","","3780.5","0.4","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 N9 O10 -","- C39 H33 N9 O10 -","- C156 H132 N36 O40 -","4","1","","Degenhardt, 3rd, Charles F; Lavin, Judith M.; Smith, Mark D.; Shimizu, Ken D.","Conformationally imprinted receptors: atropisomers with ""write"", ""save"", and ""erase"" recognition properties.","Organic letters","2005","7","19","4079","4081","10.1021/ol051325t","","","0.71073","MoKα","","0.0654","0.0457","","","0.1016","0.1087","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506651","8.809","0.004","18.028","0.008","10.368","0.005","90","","96.8388","0.0019","90","","1634.8","1.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","5,6-dichloro-2-[2-(phenylazo)phenyl] -1,3,2-Benzodioxaborole","5,6-dichloro-2-[2-(phenylazo)phenyl] -1,3,2-Benzodioxaborole","","- C18 H11 B Cl2 N2 O2 -","- C18 H11 B Cl2 N2 O2 -","- C72 H44 B4 Cl8 N8 O8 -","4","2","","Kano, Naokazu; Yoshino, Junro; Kawashima, Takayuki","Photoswitching of the Lewis acidity of a catecholborane bearing an azo group based on the change in coordination number of boron.","Organic letters","2005","7","18","3909","3911","10.1021/ol051337e","","","0.7107","MoKα","","0.0745","0.0453","","","0.0807","0.0939","","","","","","0.898","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506652","14.5655","0.0005","16.5819","0.0005","7.9981","0.0002","90","","93.485","0.001","90","","1928.16","0.1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H14 Br2 -","- C25 H14 Br2 -","- C100 H56 Br8 -","4","1","","Chiang, Chih-Long; Shu, Ching-Fong; Chen, Chin-Ti","Improved synthesis of 2,2'-dibromo-9,9'-spirobifluorene and its 2,2'-bisdonor-7,7'-bisacceptor-substituted fluorescent derivatives.","Organic letters","2005","7","17","3717","3720","10.1021/ol0513591","","","0.71073","MoKα","","0.0623","0.0476","","","0.1268","0.1349","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506653","21.018","0.006","8.137","0.003","18.221","0.004","90","","119.049","0.012","90","","2724.2","1.4","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4-methoxy-2,6-dimethyl-phenyl)-3,5-dimethyl-pyridin-1-ol","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0653","0.0525","","","0.142","0.1552","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506654","21.927","0.006","29.244","0.004","8.089","0.002","90","","90","","90","","5187","2","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-(3,5-dimethyl-pyridin-4-yl)-3,5-dimethyl-phenol","","- C15 H17 N O -","- C15 H17 N O -","- C240 H272 N16 O16 -","16","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0431","0.0381","","","0.0982","0.1023","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506655","12.834","0.002","17.241","0.003","7.9026","0.0013","90","","100.799","0.011","90","","1717.6","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxy-2,6-dimethyl-phenyl)-1,3,5-trimethyl-pyridinium iodide","","- C17 H22 I N O -","- C17 H22 I N O -","- C68 H88 I4 N4 O4 -","4","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0381","0.0288","","","0.0659","0.072","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506656","27.251","0.007","11.561","0.0018","11.868","0.003","90","","109.661","0.015","90","","3521","1.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-Hydroxy-2,6-dimethyl-phenyl)-1,3,5-trimethyl-pyridinium iodide","","- C16 H22 I N O2 -","- C16 H22 I N O2 -","- C128 H176 I8 N8 O16 -","8","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0455","0.032","","","0.0756","0.084","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506657","12.235","0.0007","12.985","0.0007","12.7805","0.0007","90","","110.207","0.0008","90","","1905.48","0.18","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,5-dimethyl-4-(1,3,5-trimethyl-1H-pyridin-4-ylidene)-cyclohexa-2,5-Dienone","","- C17 H23 I N Na O2 -","- C17 H23 I N Na O2 -","- C68 H92 I4 N4 Na4 O8 -","4","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0275","0.0236","","","0.0605","0.0634","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506658","14.551","0.002","15.697","0.003","18.554","0.003","90","","103.107","0.002","90","","4127.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-di-tert-butyl-4-{2-[4-(3,5-dimethyl-1-octyl-1H-pyridin-4-ylidene)-3,5-dimethyl-cyclohexa-2,5-dienylidene]-ethylidene}-cyclohexa-2,5-dienone","","- C42 H64 N O4 -","- C42 H55 N O4 -","- C168 H220 N4 O16 -","4","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0981","0.0788","","","0.2067","0.22","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506659","16.905","0.003","6.1078","0.0007","15.42","0.003","90","","114.336","0.015","90","","1450.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br N O3 S -","- C13 H16 Br N O3 S -","- C52 H64 Br4 N4 O12 S4 -","4","1","","Yu, Chan-Mo; Youn, Jinsuop; Lee, Min-Kyoung","Regulation of stereoselectivity using Lewis acid in the cyclization of allenic aldehydes catalyzed by palladium complex.","Organic letters","2005","7","17","3733","3736","10.1021/ol0513701","","","0.71073","MoKα","","0.1099","0.0639","","","0.1394","0.1826","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506660","8.446","0.002","12.812","0.003","19.021","0.003","88.816","0.013","83.451","0.018","89.42","0.03","2044.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","2","","Yu, Chan-Mo; Youn, Jinsuop; Lee, Min-Kyoung","Regulation of stereoselectivity using Lewis acid in the cyclization of allenic aldehydes catalyzed by palladium complex.","Organic letters","2005","7","17","3733","3736","10.1021/ol0513701","","","0.71073","MoKα","","0.1163","0.0679","","","0.1679","0.2014","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506661","10.8949","0.0002","12.1414","0.0002","15.7917","0.0003","90","","90","","90","","2088.92","0.07","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 O5 -","- C26 H22 O5 -","- C104 H88 O20 -","4","1","","Magnus, Philip; Stent, Matthew A. H.","Stereospecific synthesis of (+/-)-1,2-anhydro methyl rocaglate.","Organic letters","2005","7","18","3853","3855","10.1021/ol0513793","","","0.71073","MoKα","","0.0829","0.0418","","","0.0794","0.0929","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506662","7.115","0.0002","10.4338","0.0004","14.1498","0.0005","89.289","0.002","90.728","0.002","107.279","0.002","1002.9","0.06","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O5 -","- C26 H22 O5 -","- C52 H44 O10 -","2","1","","Magnus, Philip; Stent, Matthew A. H.","Stereospecific synthesis of (+/-)-1,2-anhydro methyl rocaglate.","Organic letters","2005","7","18","3853","3855","10.1021/ol0513793","","","0.71073","MoKα","","0.1239","0.0944","","","0.1541","0.1643","","","","","","1.171","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506663","14.5342","0.0004","11.9275","0.0003","14.7603","0.0003","90","","117.704","0.001","90","","2265.46","0.1","120","1","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 F3 N O4 S Si -","- C20 H26 F3 N O4 S Si -","- C80 H104 F12 N4 O16 S4 Si4 -","4","1","","Eckert, Matthieu; Monnier, Florian; Shchetnikov, Grigorii T.; Titanyuk, Igor D.; Osipov, Serguej N.; Toupet, Loïc; Dérien, Sylvie; Dixneuf, Pierre H.","Tandem catalytic carbene addition/bicyclization of enynes. One-step synthesis of fluorinated bicyclic amino esters by ruthenium catalysis.","Organic letters","2005","7","17","3741","3743","10.1021/ol051393f","","","0.71069","MoKα","","0.1051","0.098","","","0.2564","0.2614","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506664","7.247","0.0002","20.1918","0.0007","9.791","0.0004","90","","104.179","0.002","90","","1389.07","0.08","172","","","","","","","","","","Peters group","5","P 1 21 1","P 2yb","4","","","","- C34 H32 Fe N2 O -","- C34 H32 Fe N2 O -","- C68 H64 Fe2 N4 O2 -","2","1","","Peters, René; Fischer, Daniel F.","Preparation and diastereoselective ortho-metalation of chiral ferrocenyl imidazolines: remarkable influence of LDA as metalation additive.","Organic letters","2005","7","19","4137","4140","10.1021/ol051437k","","","0.71073","MoKα","","0.0786","0.0536","","","0.135","0.1569","","","","","","0.939","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506665","9.8803","0.0002","13.2759","0.0002","20.8422","0.0004","90","","90","","90","","2733.87","0.09","173.2","","","","","","","","","","Peters group","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Fe N2 O -","- C34 H32 Fe N2 O -","- C136 H128 Fe4 N8 O4 -","4","1","","Peters, René; Fischer, Daniel F.","Preparation and diastereoselective ortho-metalation of chiral ferrocenyl imidazolines: remarkable influence of LDA as metalation additive.","Organic letters","2005","7","19","4137","4140","10.1021/ol051437k","","","0.71073","MoKα","","0.0535","0.0445","","","0.1221","0.1324","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506666","17.946","0.0007","11.4823","0.0005","7.3257","0.0003","90","","90","","90","","1509.54","0.11","87","2","87","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4-Me-Ph-IF2","","","- C7 H7 F2 I -","- C7 H7 F2 I -","- C56 H56 F16 I8 -","8","2","","Ye, Chengfeng; Twamley, Brendan; Shreeve, Jean'ne M.","Straightforward syntheses of hypervalent iodine(III) reagents mediated by Selectfluor.","Organic letters","2005","7","18","3961","3964","10.1021/ol051446t","","","0.71073","MoKα","","0.0232","0.0228","","","0.0568","0.0571","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506667","11.5263","0.0007","12.7649","0.0008","17.7467","0.0011","76.027","0.001","81.454","0.001","88.146","0.001","2505.7","0.3","87","2","87","2","","","","","","","","4","P -1","-P 1","2","F2I-5-tBu-1,3-Me3Ph","","","- C12 H17 F2 I -","- C12 H17 F2 I -","- C96 H136 F16 I8 -","8","4","","Ye, Chengfeng; Twamley, Brendan; Shreeve, Jean'ne M.","Straightforward syntheses of hypervalent iodine(III) reagents mediated by Selectfluor.","Organic letters","2005","7","18","3961","3964","10.1021/ol051446t","","","0.71073","MoKα","","0.0551","0.0485","","","0.1269","0.1325","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506668","7.0914","0.0014","24.615","0.005","6.3857","0.0013","90","","90","","90","","1114.7","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Kopp, Felix; Sklute, Genia; Polborn, Kurt; Marek, Ilan; Knochel, Paul","Stereoselective functionalization of cyclopropane derivatives using bromine/magnesium and sulfoxide/magnesium exchange reactions.","Organic letters","2005","7","17","3789","3791","10.1021/ol051452p","","","0.71073","MoKα","","0.0556","0.034","","","0.078","0.0916","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506669","10.1973","0.0011","15.796","0.002","7.0016","0.0014","90","","95.581","0.015","90","","1122.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br N S -","- C11 H10 Br N S -","- C44 H40 Br4 N4 S4 -","4","1","","Kopp, Felix; Sklute, Genia; Polborn, Kurt; Marek, Ilan; Knochel, Paul","Stereoselective functionalization of cyclopropane derivatives using bromine/magnesium and sulfoxide/magnesium exchange reactions.","Organic letters","2005","7","17","3789","3791","10.1021/ol051452p","","","0.71073","MoKα","","0.0739","0.042","","","0.1044","0.1225","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506670","11.903","0.002","12.782","0.002","18.785","0.003","90.687","0.008","95.682","0.008","96.926","0.008","2822.4","0.8","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C40.75 H27 Cl0.5 -","- C40.75 H27 Cl0.5 -","- C163 H108 Cl2 -","4","2","","Hinrichs, Heino; Fischer, Axel K.; Jones, Peter G.; Hopf, Henning; Haley, Michael M.","[2.2]paracyclophane/dehydroannulene hybrids: probing the aromaticity of the dehydro[14]annulene framework.","Organic letters","2005","7","17","3793","3795","10.1021/ol0514552","","","0.71073","MoKα","","0.1113","0.0683","","","0.1663","0.1862","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506671","9.3588","0.0008","12.8978","0.0012","28.84","0.003","90","","90","","90","","3481.2","0.6","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 Si2 -","- C42 H40 Si2 -","- C168 H160 Si8 -","4","1","","Hinrichs, Heino; Fischer, Axel K.; Jones, Peter G.; Hopf, Henning; Haley, Michael M.","[2.2]paracyclophane/dehydroannulene hybrids: probing the aromaticity of the dehydro[14]annulene framework.","Organic letters","2005","7","17","3793","3795","10.1021/ol0514552","","","0.71073","MoKα","","0.0381","0.0326","","","0.0822","0.0845","","","","","","1.017","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506672","8.5041","0.0016","11.865","0.002","11.568","0.002","90","","103.149","0.003","90","","1136.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C56 H58 N2 O8 -","2","1","","Pallerla, Mahesh K.; Fox, Joseph M.","Diastereoselective intermolecular Pauson-Khand reactions of chiral cyclopropenes.","Organic letters","2005","7","16","3593","3595","10.1021/ol051456u","","","0.71073","MoKα","","0.0444","0.0386","","","0.0863","0.0884","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506673","8.057","0.001","18.472","0.004","12.023","0.002","90","","94.8","0.02","90","","1783.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 N2 O3 -","- C18 H14 F4 N2 O3 -","- C72 H56 F16 N8 O12 -","4","1","","Huang, Shenlin; Pan, Yuanjiang; Zhu, Yulin; Wu, Anxin","A novel three-component one-pot reaction involving alkynes, urea or thiourea, and aldehydes.","Organic letters","2005","7","17","3797","3799","10.1021/ol051458e","","","0.71073","MoKα","","0.1112","0.0529","","","0.1267","0.1405","","","","","","0.949","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506674","26.939","0.001","8.9373","0.0003","18.5928","0.0007","90","","118.072","0.001","90","","3949.8","0.3","295","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 F4 N2 O3 -","- C20 H18 F4 N2 O3 -","- C160 H144 F32 N16 O24 -","8","1","","Huang, Shenlin; Pan, Yuanjiang; Zhu, Yulin; Wu, Anxin","A novel three-component one-pot reaction involving alkynes, urea or thiourea, and aldehydes.","Organic letters","2005","7","17","3797","3799","10.1021/ol051458e","","","0.7107","MoKα","","","0.087","","","","0.223","","","","","","1.011","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506675","12.705","0.002","19.177","0.003","11.2498","0.0018","90","","94.877","0.003","90","","2731","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","-1-[6-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl) -2-methylbenzo[b]-thiophen-3-yl]- 2-(2-methylbenzo[b]-thiophen-3-yl)hexafluorocyclopentene","","- C30 H25 F6 N2 O2 S2 -","- C30 H25 F6 N2 O2 S2 -","- C120 H100 F24 N8 O8 S8 -","4","1","","Tanifuji, Naoki; Matsuda, Kenji; Irie, Masahiro","Effect of imino nitroxyl and nitronyl nitroxyl groups on the photochromic reactivity of diarylethenes.","Organic letters","2005","7","17","3777","3780","10.1021/ol051463i","","","0.71073","MoKα","","0.0924","0.0661","","","0.1419","0.1572","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506676","13.38","0.05","6.27","0.09","13.7","0","90","","107.3","0.5","90","","1097","17","100","","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4,4,7-trimethyl-6-oxaspiro[4.5]dec-2-en-1-one","","- C13 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Prandi, Cristina; Deagostino, Annamaria; Venturello, Paolo; Occhiato, Ernesto G.","Stereoselective synthesis of spirocyclic ketones by Nazarov reaction.","Organic letters","2005","7","20","4345","4348","10.1021/ol051464a","","x-ray","0.71073","MoKα","","0.0965","0.0638","","","0.1319","0.1517","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506677","9.4901","0.001","17.1409","0.0003","9.9187","0.0002","90","","115.528","0.001","90","","1455.95","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cyclohexil","cyclohexil","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C56 H92 N4 O16 -","4","1","","Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta","Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids.","Organic letters","2005","7","16","3597","3600","10.1021/ol0514707","","","0.71073","MoKα","","0.0504","0.0465","","","0.1241","0.1278","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506678","7.1537","0.0002","17.2234","0.0006","9.5554","0.0003","90","","96.095","0.002","90","","1170.68","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","etoxi-1-acetamidometoxicarbonilciclobutano","cis-2-etoxi-1-acetamidometoxicarbonilciclobutano","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C40 H68 N4 O16 -","4","1","","Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta","Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids.","Organic letters","2005","7","16","3597","3600","10.1021/ol0514707","","","0.71073","MoKα","","0.0981","0.0528","","","0.1293","0.1511","","","","","","1.038","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506679","16.4388","0.0001","20.273","0.0016","5.7205","0.0003","90","","90","","90","","1906.44","0.18","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","compound10","compound10","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C80 H108 N4 O16 -","4","1","","Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta","Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids.","Organic letters","2005","7","16","3597","3600","10.1021/ol0514707","","","0.71073","MoKα","","0.0895","0.06","","","0.1371","0.1543","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506680","14.9601","0.001","14.9602","0.001","12.7394","0.001","90","","90","","120","","2469.2","0.3","173","2","173","2","","","","","","","","4","P 31","P 31","144","compound11","compound11","","- C33 H55 N O4 -","- C33 H55 N O4 -","- C99 H165 N3 O12 -","3","1","","Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta","Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids.","Organic letters","2005","7","16","3597","3600","10.1021/ol0514707","","","0.71073","MoKα","","0.1616","0.1412","","","0.352","0.3694","","","","","","1.073","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506681","33.749","0.012","12.982","0.005","19.167","0.007","90","","90","","90","","8398","5","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C88 H76 Cl12 N6 O6 -","- C88 H76 Cl12 N6 O6 -","- C352 H304 Cl48 N24 O24 -","4","1","","Tominaga, Masahide; Masu, Hyuma; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","Triple helicate constructed by covalent bondings: crystal structure and effective synthesis based on propeller-like substructures.","Organic letters","2005","7","17","3785","3787","10.1021/ol051477o","","","0.71073","MoKα","","0.1618","0.0892","","","0.2229","0.2679","","","","","","0.95","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506682","15.6716","0.0007","9.0731","0.0004","16.7091","0.0007","90","","113.433","0.003","90","","2179.92","0.17","160","1","160","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 -","- C33 H24 -","- C132 H96 -","4","1","","Wu, Yao-Ting; Linden, Anthony; Siegel, Jay S.","Formal [(2+2)+2] and [(2+2)+(2+2)] nonconjugated dienediyne cascade cycloadditions.","Organic letters","2005","7","20","4353","4355","10.1021/ol0514799","","","0.71073","MoKα","","0.0799","0.0554","","","0.1186","0.1344","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506683","5.198","0.0002","7.6164","0.0002","48.4186","0.0016","90","","90","","90","","1916.89","0.11","220","2","220","2","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 O3 -","- C19 H36 O3 -","- C76 H144 O12 -","4","1","","Hanessian, Stephen; Giroux, Simon; Buffat, Maxime","Total synthesis and structural confirmation of (+)-longicin.","Organic letters","2005","7","18","3989","3992","10.1021/ol051483k","","","1.54178","CuKα","","0.1315","0.1064","","","0.2888","0.3094","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506684","5.764","0.002","7.575","0.002","29.802","0.01","90","","90.45","0.03","90","","1301.2","0.7","293","2","293","2","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C25 H46 O5 -","- C25 H46 O5 -","- C50 H92 O10 -","2","1","","Hanessian, Stephen; Giroux, Simon; Buffat, Maxime","Total synthesis and structural confirmation of (+)-longicin.","Organic letters","2005","7","18","3989","3992","10.1021/ol051483k","","","1.54178","CuKα","","0.0794","0.0572","","","0.1518","0.1712","","","","","","0.909","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506685","10.126","0.005","14.618","0.005","18.704","0.005","90","","90","","90","","2768.6","1.8","173","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C144 H96 O48 -","12","1.5","","Gallant, Amanda J.; Yun, Michael; Sauer, Marc; Yeung, Charles S.; MacLachlan, Mark J.","Tautomerization in naphthalenediimines: a keto-enamine Schiff base macrocycle.","Organic letters","2005","7","22","4827","4830","10.1021/ol051511z","","","0.71073","MoKα","","0.1243","0.0435","","","0.0981","0.1075","","","","","","0.683","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506686","11.649","0.005","7.4767","0.0016","23.829","0.008","90","","103.823","0.013","90","","2015.3","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Gallant, Amanda J.; Yun, Michael; Sauer, Marc; Yeung, Charles S.; MacLachlan, Mark J.","Tautomerization in naphthalenediimines: a keto-enamine Schiff base macrocycle.","Organic letters","2005","7","22","4827","4830","10.1021/ol051511z","","","0.71073","MoKα","","0.0765","0.0385","","","0.0857","0.0995","","","","","","0.99","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506687","11.067","","11.991","","14.815","","101.06","","93.76","","95.58","","1913.2","","173","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N4 O8 -","- C38 H48 N4 O8 -","- C76 H96 N8 O16 -","2","1","","Gallant, Amanda J.; Yun, Michael; Sauer, Marc; Yeung, Charles S.; MacLachlan, Mark J.","Tautomerization in naphthalenediimines: a keto-enamine Schiff base macrocycle.","Organic letters","2005","7","22","4827","4830","10.1021/ol051511z","","","0.71073","MoKα","","0.201","0.0596","","","0.0996","0.1372","","","","","","0.957","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506688","22.652","0.008","10.982","0.004","18.713","0.004","90","","95.607","0.011","90","","4633","3","296.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 O1.5 P -","- C29 H24 O1.5 P -","- C232 H192 O12 P8 -","8","1","","Onodera, Gen; Matsumoto, Hideyuki; Milton, Marilyn Daisy; Nishibayashi, Yoshiaki; Uemura, Sakae","Ruthenium-catalyzed formation of aryl(diphenyl)phosphine oxides by reactions of propargylic alcohols with diphenylphosphine oxide.","Organic letters","2005","7","18","4029","4032","10.1021/ol0515311","","","0.71069","MoKα","","","0.0466","","","","0.0581","","","","","","7.312","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506689","8.583","0.004","18.449","0.008","15.254","0.007","90","0.0017","95.9348","0.0018","90","0.0017","2402.5","1.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 B P -","- C30 H30 B P -","- C120 H120 B4 P4 -","4","1","","Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki","Dibenzophosphaborin: a hetero-pi-conjugated molecule with fluorescent properties based on intramolecular charge transfer between phosphorus and boron atoms.","Organic letters","2005","7","20","4373","4376","10.1021/ol051537q","","","0.7107","MoKα","","0.0632","0.0565","","","0.1389","0.1447","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506690","8.138","0.004","16.833","0.009","16.975","0.009","90","","92.835","0.003","90","","2323","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 B P -","- C30 H27 B P -","- C120 H108 B4 P4 -","4","1","","Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki","Dibenzophosphaborin: a hetero-pi-conjugated molecule with fluorescent properties based on intramolecular charge transfer between phosphorus and boron atoms.","Organic letters","2005","7","20","4373","4376","10.1021/ol051537q","","","0.7107","MoKα","","0.0623","0.0445","","","0.0796","0.0871","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506691","10.47","0.002","17.247","0.004","17.307","0.004","90","","90","","90","","3125.2","1.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Br N O4 -","- C35 H48 Br N O4 -","- C140 H192 Br4 N4 O16 -","4","1","","Johannes, Jeffrey W.; Wenglowsky, Steve; Kishi, Yoshito","Biomimetic macrocycle-forming Diels-Alder reaction of an iminium dienophile: synthetic studies directed toward gymnodimine.","Organic letters","2005","7","18","3997","4000","10.1021/ol051553n","","","0.71073","MoKα","","0.0546","0.039","","","0.0724","0.0775","","","","","","0.997","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506692","5.9697","0.0005","13.3048","0.0012","22.401","0.002","90","","90","","90","","1779.2","0.3","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","hexahydro-1-benzofuran-3(2H)-one","","","- C9 H14 O3 -","- C9 H14 O3 -","- C72 H112 O24 -","8","1","","Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi","Regioselective nucleophilic addition to carbonyl ylide intermediates: a novel diastereoselective synthesis of cycloalkyl fused furan-3-ones.","Organic letters","2005","7","21","4577","4580","10.1021/ol051562w","","","0.71073","MoKα","","0.0608","0.0522","","","0.1358","0.1431","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506693","12.4574","0.0018","7.9073","0.0011","14.806","0.002","90","","109.547","0.003","90","","1374.4","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tetrahydro-2H-cyclopenta[b]furan-3(3aH)-one","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","1","","Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi","Regioselective nucleophilic addition to carbonyl ylide intermediates: a novel diastereoselective synthesis of cycloalkyl fused furan-3-ones.","Organic letters","2005","7","21","4577","4580","10.1021/ol051562w","","","0.71073","MoKα","","0.0923","0.0676","","","0.187","0.2265","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506694","6.6119","0.0009","10.4176","0.0014","13.0721","0.0017","91.049","0.003","95.024","0.003","95.584","0.003","892.4","0.2","300","2","273","2","","","","","","","","4","P -1","-P 1","2","3-oxooctahydro-1-benzofuran-2-carboxylate","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C36 H44 N4 O12 -","2","1","","Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi","Regioselective nucleophilic addition to carbonyl ylide intermediates: a novel diastereoselective synthesis of cycloalkyl fused furan-3-ones.","Organic letters","2005","7","21","4577","4580","10.1021/ol051562w","","","0.71073","MoKα","","0.155","0.0778","","","0.1642","0.2211","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506695","10.605","0.002","15","0.003","21.184","0.004","90","","90","","90","","3369.8","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3aS,5R,6S,6aS)-5-(tert-butyldimethylsilyloxy)-6- (trityloxymethyl)-1,3a,4,5,6,6a-hexahydropentalen- 2-yl trifluoromethanesulfonate","","- C35 H41 F3 O5 S Si -","- C35 H41 F3 O5 S Si -","- C140 H164 F12 O20 S4 Si4 -","4","1","","Sheddan, Neil A.; Mulzer, Johann","Access to isocarbacyclin derivatives via substrate-controlled enolate formation: total synthesis of 15-deoxy-16-(m-tolyl)- 17,18,19,20-tetranorisocarbacyclin","Organic letters","2005","7","23","5115","5118","10.1021/ol0515762","","","0.71073","MoKα","","0.0499","0.04","","","0.0987","0.1051","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506696","11.1184","0.0002","14.1118","0.0002","9.5312","0.0002","90","","95.192","0.001","90","","1489.32","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","","García Ruano, José Luis; Topp, Markus; López-Cantarero, Jesús; Alemán, José; Remuiñán, Modesto J; Cid, M Belén","Asymmetric aza-Henry reactions from N-p-tolylsulfinylimines.","Organic letters","2005","7","20","4407","4410","10.1021/ol051580d","","","1.54178","CuKα","","0.0407","0.0365","","","0.097","0.1004","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506697","13.413","0.001","8.473","0.001","22.024","0.001","90","","106.357","0.001","90","","2401.7","0.4","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Au F6 N O4 P S2 -","- C20 H15 Au F6 N O4 P S2 -","- C80 H60 Au4 F24 N4 O16 P4 S8 -","4","1","","Mézailles, Nicolas; Ricard, Louis; Gagosz, Fabien","Phosphine gold(I) bis-(trifluoromethanesulfonyl)imidate complexes as new highly efficient and air-stable catalysts for the cycloisomerization of enynes.","Organic letters","2005","7","19","4133","4136","10.1021/ol0515917","","","0.71069","MoKα","","0.0354","0.0278","","","0.0707","0.0742","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506698","9.0996","0.0007","11.5389","0.0008","25.785","0.002","90","","90","","90","","2707.4","0.4","150","","150","","","","","","","","P. Joensuu","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","1","","Lam, Hon Wai; Joensuu, Pekka M.","Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones.","Organic letters","2005","7","19","4225","4228","10.1021/ol051649h","","","0.71073","MoKα","","0.1124","0.0554","","0.1168","0.1026","0.1168","","","","","","0.7612","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506699","8.3224","0.0004","10.8314","0.0005","10.9546","0.0005","92.665","0.003","106.145","0.003","92.45","0.003","945.92","0.08","150","","150","","","","","","","","P. Joensuu","3","P -1","-P 1","2","","","","- C9 H16 O3 -","- C9 H16 O3 -","- C36 H64 O12 -","4","2","","Lam, Hon Wai; Joensuu, Pekka M.","Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones.","Organic letters","2005","7","19","4225","4228","10.1021/ol051649h","","","0.71073","MoKα","","0.0563","0.0414","","0.1074","0.1037","0.1074","","","","","","0.8351","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506700","7.418","0.0002","9.0469","0.0003","18.673","0.0006","90","","90","","90","","1253.14","0.07","150","2","150","2","","","","","","","Hon Lam, reaction PJC16A","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O3 -","- C13 H15 Cl O3 -","- C52 H60 Cl4 O12 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.","Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones.","Organic letters","2005","7","19","4225","4228","10.1021/ol051649h","","","0.71073","MoKα","","0.0432","0.0361","","","0.0918","0.0944","","","","","","1.078","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1506701","6.604","0.001","15.346","0.002","19.811","0.003","90","","90","","90","","2007.7","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O S2 -","- C22 H26 O S2 -","- C88 H104 O4 S8 -","4","1","","Xie, Xingang; Yue, Guoren; Tang, Shouchu; Huo, Xing; Liang, Qiren; She, Xuegong; Pan, Xinfu","Highly diastereoselective formation of 1,2,3-trisubstituted cyclopropane derivatives.","Organic letters","2005","7","18","4057","4059","10.1021/ol051653t","","","0.71073","MoKα","","0.053","0.0374","","","0.0756","0.0788","","","","","","0.885","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506702","8.4794","0.0003","6.8463","0.0003","10.1247","0.0005","90","","103.613","0.004","90","","571.25","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H12 O2 S2 -","- C11 H12 O2 S2 -","- C22 H24 O4 S4 -","2","1","","Wedel, Tobias; Podlech, Joachim","Enolate addition to a 2-alkylidene[1,3]dithiane-derived bissulfoxide. A new a(2)-acceptor.","Organic letters","2005","7","18","4013","4015","10.1021/ol051670i","","","1.54178","CuKα","","0.0469","0.0447","","","0.1167","0.1221","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506703","10.0518","0.0006","10.0518","0.0006","16.5499","0.0008","90","","90","","90","","1672.18","0.16","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C17 H22 O3 S2 -","- C17 H22 O3 S2 -","- C68 H88 O12 S8 -","4","1","","Wedel, Tobias; Podlech, Joachim","Enolate addition to a 2-alkylidene[1,3]dithiane-derived bissulfoxide. A new a(2)-acceptor.","Organic letters","2005","7","18","4013","4015","10.1021/ol051670i","","","1.54178","CuKα","","0.0522","0.0508","","","0.1361","0.1392","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506704","18.3881","0.0004","9.819","0.0003","22.354","0.0006","90","","110.52","0.001","90","","3779.99","0.18","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 I N O4 -","- C15 H28 I N O4 -","- C120 H224 I8 N8 O32 -","8","2","","Sheldrake, Helen M.; Wallace, Timothy W.; Wilson, Craig P.","Functionalized cyclobutenes via multicomponent thermal [2 + 2] cycloaddition reactions.","Organic letters","2005","7","19","4233","4236","10.1021/ol051675f","","x-ray","0.71073","MoKα","","0.0651","0.0425","","","0.0836","0.0945","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506705","10.7031","0.0017","7.6834","0.0011","14.286","0.002","90","","96.923","0.001","90","","1166.3","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H33 I O6 -","- C21 H33 I O6 -","- C42 H66 I2 O12 -","2","1","","Smith, 3rd, Amos B; Xian, Ming; Liu, Fenghua","Design, total synthesis, and evaluation of C13-C14 cyclopropane analogues of (+)-discodermolide.","Organic letters","2005","7","21","4613","4616","10.1021/ol051691c","","","0.71069","MoKα","","0.0282","0.0266","","","0.0633","0.0646","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506706","28.31","0.011","6.229","0.002","10.339","0.004","90","","100.58","0.007","90","","1792.2","1.1","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 O3 -","- C18 H34 O2.99 -","- C72 H136 O11.96 -","4","1","","Ramirez, Armando; Woerpel, K. A.","Synthesis of 1,2-dioxolanes by annulation reactions of peroxycarbenium ions with alkenes.","Organic letters","2005","7","21","4617","4620","10.1021/ol051703u","","","0.71073","MoKα","","0.1155","0.0666","","","0.1615","0.1891","","","","","","1.049","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506707","20.395","0.002","11.2144","0.0013","13.2709","0.0016","90","","90","","90","","3035.3","0.6","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","15","7,14,22,29-tetraaza-1,5,16,20-tetrachloro-31,31,32,32-tetramethoxynonacyclo [18.10.1.15,16.02,19.04,17.06,15.08,13.021,30.023,28] dotriacontane-6(15),8,9,11,14,21(30),23,24,26,28,29-decaene.","","- C32 H28 Cl4 N4 O4 -","- C32 H28 Cl4 N4 O4 -","- C128 H112 Cl16 N16 O16 -","4","0.5","","Chou, Teh-Chang; Liao, Kung-Ching; Lin, Jin-Ju","Synthesis and luminescence properties of U-shaped polycyclic molecules containing syn-facial functionalized quinoxaline rings.","Organic letters","2005","7","22","4843","4846","10.1021/ol051707z","","","0.71073","MoKα","","0.0509","0.037","","","0.0874","0.0924","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506708","11.2393","0.0006","16.951","0.0009","17.1697","0.0009","90","","101.104","0.001","90","","3209.9","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","16","8,15,24,31-tetraaza-1,6,17,22-tetrachloro-33,33,34,34-tetramethoxynonacyclo [20.10.1.116,17.02,21.05,18.07,16.09,14.023,32.025,30] tetratricontane-7(16),9,10,12,15,23(32),25,26,28,31-decaene.","","- C34 H32 Cl4 N4 O4 -","- C34 H32 Cl4 N4 O4 -","- C136 H128 Cl16 N16 O16 -","4","1","","Chou, Teh-Chang; Liao, Kung-Ching; Lin, Jin-Ju","Synthesis and luminescence properties of U-shaped polycyclic molecules containing syn-facial functionalized quinoxaline rings.","Organic letters","2005","7","22","4843","4846","10.1021/ol051707z","","","0.71073","MoKα","","0.0353","0.0316","","","0.0846","0.0876","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506709","9.8631","0.001","20.512","0.002","13.5322","0.0014","90","","107.616","0.002","90","","2609.3","0.5","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O10 -","- C28 H22 O10 -","- C112 H88 O40 -","4","1","","Nair, Vijay; Pillai, Abhilash N.; Beneesh, P. B.; Suresh, Eringathodi","Engaging the pyridine-DMAD zwitterion in a novel strategy for the selective synthesis of highly substituted benzene and cyclopentenedione derivatives.","Organic letters","2005","7","21","4625","4628","10.1021/ol051723w","","","0.71073","MoKα","","0.0606","0.0511","","","0.1477","0.156","","","","","","1.037","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506710","13.581","0.0017","14.205","0.001","14.361","0.0018","90","","98.096","0.011","90","","2742.9","0.5","250","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 N O8 S Si -","- C23 H37 N O8 S Si -","- C92 H148 N4 O32 S4 Si4 -","4","1","","Boglio, Cécile; Stahlke, Sebastian; Thorimbert, Serge; Malacria, Max","A stereoselective route toward polyhydoxylated piperidines. A total synthesis of (+/-)-deoxymannojirimycin.","Organic letters","2005","7","22","4851","4854","10.1021/ol051745i","","x-ray","0.71073","MoKα","","","0.0506","","","","0.1447","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506711","17.1855","0.0011","8.6653","0.0006","24.9779","0.0016","90","","90","","90","","3719.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H15 F6 N O4 S -","- C16 H15 F6 N O4 S -","- C128 H120 F48 N8 O32 S8 -","8","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.","[2]pseudorotaxane formation with N-benzylanilinium axles and 24-crown-8 ether wheels.","Organic letters","2005","7","22","4923","4926","10.1021/ol051786e","","","0.71073","MoKα","","0.1007","0.0885","","","0.1656","0.1718","","","","","","1.149","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506712","13.4607","0.0009","14.0815","0.0009","16.0914","0.0011","81.541","0.001","77.187","0.001","66.644","0.001","2724.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 F9 N O15 S -","- C52 H60 F9 N O15 S -","- C104 H120 F18 N2 O30 S2 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.","[2]pseudorotaxane formation with N-benzylanilinium axles and 24-crown-8 ether wheels.","Organic letters","2005","7","22","4923","4926","10.1021/ol051786e","","","0.71073","MoKα","","0.1292","0.0895","","","0.2523","0.2848","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506713","9.8489","0.0005","10.864","0.0006","21.406","0.0012","89.398","0.001","78.804","0.001","63.063","0.001","1995.18","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 F3 N O13 S -","- C40 H50 F3 N O13 S -","- C80 H100 F6 N2 O26 S2 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.","[2]pseudorotaxane formation with N-benzylanilinium axles and 24-crown-8 ether wheels.","Organic letters","2005","7","22","4923","4926","10.1021/ol051786e","","","0.71073","MoKα","","0.038","0.0363","","","0.1074","0.1092","","","","","","0.936","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506714","6.1206","0.0005","12.592","0.001","14.007","0.001","90","","90","","90","","1079.53","0.15","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Dong, Lin; Xu, Yan-Jun; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu","Asymmetric nitroallylation of arylboronic acids with nitroallyl acetates catalyzed by chiral rhodium complexes and its application in a concise total synthesis of optically pure (+)-gamma-lycorane.","Organic letters","2005","7","19","4285","4288","10.1021/ol051795n","","","0.71073","MoKα","","0.0543","0.0327","","","0.0652","0.07","","","","","","0.961","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506715","14.549","0.002","11.0148","0.0015","12.6709","0.0017","90","","92","0.011","90","","2029.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Yu, Chan-Mo; Youn, Jinsuop; Yoon, Seok-Keun; Hong, Young-Tack","A highly stereoselective sequential allylic transfer reaction of diene with diboronyl reagent and aldehydes promoted by nickel catalyst.","Organic letters","2005","7","20","4507","4510","10.1021/ol051806c","","","0.71073","MoKα","","0.134","0.0594","","","0.1174","0.1522","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506716","8.79","0.002","12.6073","0.0016","21.886","0.005","90","","96.035","0.018","90","","2411.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl2 N O4 S -","- C22 H27 Cl2 N O4 S -","- C88 H108 Cl8 N4 O16 S4 -","4","1","","Yu, Chan-Mo; Youn, Jinsuop; Yoon, Seok-Keun; Hong, Young-Tack","A highly stereoselective sequential allylic transfer reaction of diene with diboronyl reagent and aldehydes promoted by nickel catalyst.","Organic letters","2005","7","20","4507","4510","10.1021/ol051806c","","","0.71073","MoKα","","0.1704","0.0906","","","0.2367","0.315","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506717","6.108","0.004","27.256","0.012","12.829","0.005","90","","93.49","0.04","90","","2131.8","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O4 S -","- C22 H27 N O4 S -","- C88 H108 N4 O16 S4 -","4","1","","Yu, Chan-Mo; Youn, Jinsuop; Yoon, Seok-Keun; Hong, Young-Tack","A highly stereoselective sequential allylic transfer reaction of diene with diboronyl reagent and aldehydes promoted by nickel catalyst.","Organic letters","2005","7","20","4507","4510","10.1021/ol051806c","","","0.71073","MoKα","","0.0885","0.047","","","0.0914","0.1072","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506718","12.9029","0.0017","14.6931","0.0019","19.457","0.003","90","","107.321","0.002","90","","3521.5","0.8","110","2","110","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C36 H38 N4 O4 -","- C34.5 H51 N4 O7.5 -","- C138 H204 N16 O30 -","4","2","","Amorín, Manuel; Brea, Roberto J.; Castedo, Luis; Granja, Juan R.","The smallest alpha,gamma-peptide nanotubulet segments: cyclic alpha,gamma-tetrapeptide dimers.","Organic letters","2005","7","21","4681","4684","10.1021/ol0518885","","x-ray","0.71073","MoKα","","0.097","0.0631","","","0.1652","0.1899","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506719","11.611","0.002","10.747","0.002","20.951","0.002","90","","94.44","0.01","90","","2606.5","0.7","203","2","203","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C120 H192 O16 -","8","2","","Tilly, David P.; Williams, Craig M.; Bernhardt, Paul V.","Construction of the cyclovibsanin core via a biogenetically modeled approach.","Organic letters","2005","7","23","5155","5157","10.1021/ol051897d","","x-ray","0.71073","MoKα","","0.1787","0.0538","","","0.1198","0.1636","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506720","16.5687","0.0013","5.235","0.0004","16.4498","0.0013","90","","92.787","0.001","90","","1425.12","0.19","292","2","292","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H14 Br N O4 -","- C13 H14 Br N O4 -","- C52 H56 Br4 N4 O16 -","4","1","","Wang, Jian; Li, Hao; Duan, Wenhu; Zu, Liansuo; Wang, Wei","Organocatalytic asymmetric Michael addition of 2,4-pentandione to nitroolefins.","Organic letters","2005","7","21","4713","4716","10.1021/ol0519137","","","0.71073","MoKα","","0.0546","0.0354","","","0.0818","0.0944","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506721","7.055","0.0001","18.676","0.0005","9.813","0.0002","90","","108.071","0.0013","90","","1229.18","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","","Blakemore, Paul R.; Kilner, Colin; Norcross, Neil R.; Astles, Peter C.","A practical synthesis of (+/-)-alpha-isosparteine from a tetraoxobispidine core.","Organic letters","2005","7","21","4721","4724","10.1021/ol0519184","","x-ray","0.71073","MoKα","","0.0631","0.0434","","","0.1113","0.1243","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506722","8.5596","0.0008","11.4819","0.0012","26.25","0.003","90","","90","","90","","2579.9","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","1","","Blakemore, Paul R.; Kilner, Colin; Norcross, Neil R.; Astles, Peter C.","A practical synthesis of (+/-)-alpha-isosparteine from a tetraoxobispidine core.","Organic letters","2005","7","21","4721","4724","10.1021/ol0519184","","","0.71073","MoKα","","0.0487","0.0336","","","0.0807","0.0869","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506723","13.9423","0.0018","10.7041","0.0014","17.044","0.002","90","","91.314","0.002","90","","2543","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C104 H104 Br8 O24 -","8","2","","Zhao, Gui-Ling; Shi, Yong-Ling; Shi, Min","Synthesis of functionalized 2H-1-benzopyrans by DBU-catalyzed reactions of salicylic aldehydes with allenic ketones and esters.","Organic letters","2005","7","20","4527","4530","10.1021/ol051920v","","","0.71073","MoKα","","0.1027","0.0387","","","0.074","0.0827","","","","","","0.739","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506724","8.8902","0.0009","9.774","0.001","15.87","0.002","74.891","0.003","89.892","0.002","89.964","0.006","1331.3","0.3","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 Cu2 I2 N2 Si2 -","- C20 H30 Cu2 I2 N2 Si2 -","- C40 H60 Cu4 I4 N4 Si4 -","2","1","","Kamei, Toshiyuki; Fujita, Kazuyoshi; Itami, Kenichiro; Yoshida, Jun-ichi","Copper-catalyzed allylation of carbonyl derivatives using allyl(2-pyridyl)silanes.","Organic letters","2005","7","21","4725","4728","10.1021/ol051925s","","","0.7107","MoKα","","","0.066","","","","0.1","","","","","","2.844","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506725","36.529","0.003","11.7506","0.0009","26.095","0.002","90","","133.184","0.002","90","","8167.3","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H24 O2 Sn -","- C23 H23.5 O2 Sn -","- C368 H376 O32 Sn16 -","16","4","","Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.","Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.","Organic letters","2005","7","24","5377","5380","10.1021/ol051937d","","","0.71073","MoKα","","0.0317","0.0309","","","0.0735","0.0741","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506726","8.1399","0.0004","15.1636","0.0008","17.2457","0.0009","108.047","0.001","98.828","0.001","91.063","0.001","1994.99","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 O Sn -","- C23 H24 O Sn -","- C92 H96 O4 Sn4 -","4","2","","Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.","Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.","Organic letters","2005","7","24","5377","5380","10.1021/ol051937d","","","0.71073","MoKα","","0.0357","0.0323","","","0.0765","0.0786","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506727","7.418","0.0007","15.6288","0.0015","32.908","0.003","90","","95.08","0.002","90","","3800.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O Sn -","- C22 H22 O Sn -","- C176 H176 O8 Sn8 -","8","2","","Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.","Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.","Organic letters","2005","7","24","5377","5380","10.1021/ol051937d","","","0.71073","MoKα","","0.0588","0.0547","","","0.1333","0.1365","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506728","15.4757","0.0009","40.118","0.002","7.287","0.0004","90","","90","","90","","4524.2","0.4","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H28 O Sn -","- C27 H28 O Sn -","- C216 H224 O8 Sn8 -","8","1","","Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.","Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.","Organic letters","2005","7","24","5377","5380","10.1021/ol051937d","","","0.71073","MoKα","","0.0548","0.0505","","","0.1135","0.1158","","","","","","1.108","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506729","19.425","0.002","13.9918","0.0015","11.2789","0.0012","90","","91.547","0.002","90","","3064.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 O2 Sn -","- C36 H34 O2 Sn -","- C144 H136 O8 Sn4 -","4","1","","Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.","Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.","Organic letters","2005","7","24","5377","5380","10.1021/ol051937d","","","0.71073","MoKα","","0.0452","0.0334","","","0.0813","0.0883","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506730","10.494","0.0016","9.1968","0.0014","26.727","0.004","90","","98.934","0.003","90","","2548.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H38 N2 O6 -","- C23 H38 N2 O6 -","- C92 H152 N8 O24 -","4","1","","Nair, Vijay; Biju, A. T.; Vinod, A. U.; Suresh, Eringathodi","Reaction of Huisgen zwitterion with 1,2-benzoquinones and isatins: expeditious synthesis of dihydro-1,2,3-benzoxadiazoles and spirooxadiazolines.","Organic letters","2005","7","23","5139","5142","10.1021/ol051956n","","","0.71073","MoKα","","0.1132","0.0811","","","0.1833","0.1986","","","","","","1.104","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506731","8.2282","0.0009","10.8106","0.0012","12.1252","0.0014","89.631","0.002","79.62","0.002","70.082","0.002","995.68","0.19","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C42 H42 N6 O10 -","2","1","","Nair, Vijay; Biju, A. T.; Vinod, A. U.; Suresh, Eringathodi","Reaction of Huisgen zwitterion with 1,2-benzoquinones and isatins: expeditious synthesis of dihydro-1,2,3-benzoxadiazoles and spirooxadiazolines.","Organic letters","2005","7","23","5139","5142","10.1021/ol051956n","","","0.71073","MoKα","","0.0876","0.0619","","","0.1664","0.1914","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506732","9.0402","0.0002","9.0402","0.0002","29.7809","0.001","90","","90","","90","","2433.85","0.11","298","","298","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Bbc-Phg-OMe","","","- C24 H24 N2 O8 -","- C24 H24 N2 O8 -","- C96 H96 N8 O32 -","4","0.5","","Ramesh, R.; Chandrasekaran, S.","But-2-ynylbisoxycarbonyl chloride: a novel C2-symmetric reagent for the protection of amines and amino acids.","Organic letters","2005","7","22","4947","4950","10.1021/ol051960z","","","0.71073","MoKα","","0.0638","0.0608","","","0.1285","0.13","","","","","","1.272","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506733","8.4","0.006","16.96","0.01","22.39","0.01","90","","90","","90","","3190","3","98.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 Bi Br3 N2 O6 -","- C24 H37 Bi Br3 N2 O6 -","- C96 H148 Bi4 Br12 N8 O24 -","4","1","","Kobayashi, Shü; Ogino, Tsuyoshi; Shimizu, Haruka; Ishikawa, Shunpei; Hamada, Tomoaki; Manabe, Kei","Bismuth triflate-chiral bipyridine complexes as water-compatible chiral Lewis acids.","Organic letters","2005","7","21","4729","4731","10.1021/ol051965w","","","0.7107","MoKα","","","0.051","","","","0.132","","","","","","1.007","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506734","12.791","0.005","11.2002","0.0017","14.029","0.004","90","","112.75","0.02","90","","1853.5","1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H50 O3 S2 Si -","- C41 H50 O3 S2 Si -","- C82 H100 O6 S4 Si2 -","2","1","","Leung, Leo M. H.; Boydell, A. James; Gibson, Vicky; Light, Mark E.; Linclau, Bruno","A stereoselective cyclization to carbafuranose derivatives starting from 1,4-bis-epoxides.","Organic letters","2005","7","23","5183","5186","10.1021/ol052009h","","","0.71073","MoKα","","0.1453","0.0663","","","0.1067","0.1293","","","","","","0.997","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506735","7.0222","0.0004","12.2044","0.0006","10.4549","0.0006","90","","95.631","0.001","90","","891.68","0.08","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","MPPIM-B","MPPIM-B","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","2","","Doyle, Michael P.; Wang, Yuanhua; Ghorbani, Pejman; Bappert, Erhard","Amplification of asymmetric induction in sequential reactions of bis-diazoacetates catalyzed by chiral dirhodium(II) carboxamidates.","Organic letters","2005","7","22","5035","5038","10.1021/ol0520121","","","0.71073","MoKα","","0.0294","0.0277","","","0.0582","0.0594","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506736","5.3861","0.0003","10.9679","0.0007","8.4107","0.0005","90","","107.867","0.001","90","","472.89","0.05","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","MPPIM-A","MPPIM-A","","- C10 H12 O4 -","- C10 H12 O4 -","- C20 H24 O8 -","2","1","","Doyle, Michael P.; Wang, Yuanhua; Ghorbani, Pejman; Bappert, Erhard","Amplification of asymmetric induction in sequential reactions of bis-diazoacetates catalyzed by chiral dirhodium(II) carboxamidates.","Organic letters","2005","7","22","5035","5038","10.1021/ol0520121","","","0.71073","MoKα","","0.041","0.0354","","","0.0738","0.0782","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506737","8.4475","0.0008","5.4646","0.0005","10.2032","0.0009","90","","99.118","0.002","90","","465.05","0.07","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","S-001-A","S-001-A","","- C10 H12 O4 -","- C10 H12 O4 -","- C20 H24 O8 -","2","0.5","","Doyle, Michael P.; Wang, Yuanhua; Ghorbani, Pejman; Bappert, Erhard","Amplification of asymmetric induction in sequential reactions of bis-diazoacetates catalyzed by chiral dirhodium(II) carboxamidates.","Organic letters","2005","7","22","5035","5038","10.1021/ol0520121","","","0.71073","MoKα","","0.0394","0.0354","","","0.0745","0.0776","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506738","10.3478","0.0005","9.7922","0.0005","18.2446","0.0012","90","","90","","90","","1848.68","0.18","148","","148","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Compound: 1-[(4R)-3-((2S)-1-methylpyrrolidin-2-yl)-4-phenyl- (1,4-dihydropyridyl)]-2,2-dimethylpropan-1-one","","- C21 H28 N2 O -","- C21 H28 N2 O -","- C84 H112 N8 O4 -","4","1","","Comins, Daniel L.; King, Laura S.; Smith, Emilie D.; Février, Florence C","Synthesis of C-4 substituted nicotine derivatives via an N-acylpyridinium salt of (S)-nicotine.","Organic letters","2005","7","22","5059","5062","10.1021/ol0520469","","","0.71073","MolybdenumKα","","0.029","0.029","","0.033","0.033","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506739","10.3948","0.0002","13.8919","0.0002","25.1936","0.0003","90.6016","0.0004","91.8742","0.0004","97.9594","0.0005","3600.65","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","6","P -1","-P 1","2","","","","- C154 H175 Cl3 N10 O3 Zn2 -","- C154 H175 Cl3 N10 O3 Zn2 -","- C154 H175 Cl3 N10 O3 Zn2 -","1","0.5","","Frampton, Michael J.; Akdas, Huriye; Cowley, Andrew R.; Rogers, Joy E.; Slagle, Jonathan E.; Fleitz, Paul A.; Drobizhev, Mikhail; Rebane, Aleksander; Anderson, Harry L.","Synthesis, crystal structure, and nonlinear optical behavior of beta-unsubstituted meso-meso E-vinylene-linked porphyrin dimers.","Organic letters","2005","7","24","5365","5368","10.1021/ol0520525","","","0.71073","MoKα","","0.1199","0.0805","","0.1224","0.0878","0.0878","","","","","","1.0727","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506740","9.3647","0.0007","10.3859","0.0007","13.1874","0.0008","90","","91.777","0.004","90","","1282","0.15","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 n 1","P -2yac","7","","","","- C10 H11 F3 N2 O3 S -","- C10 H11 F3 N2 O3 S -","- C40 H44 F12 N8 O12 S4 -","4","2","","Charette, André B; Mathieu, Simon; Martel, Jonathan","Electrophilic activation of lactams with Tf2O and pyridine: expedient synthesis of (+/-)-tetraponerine T4.","Organic letters","2005","7","24","5401","5404","10.1021/ol052069n","","","1.54178","CuKα","","0.0709","0.0632","","","0.1686","0.176","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506741","14.174","0.002","11.5857","0.0017","12.0325","0.0018","90","","90","","90","","1975.9","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H26 Cl2 N2 O2 -","- C18 H26 Cl2 N2 O2 -","- C72 H104 Cl8 N8 O8 -","4","1","","Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN","Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers.","Organic letters","2005","7","24","5413","5415","10.1021/ol052071e","","","0.71073","MoKα","","0.1306","0.0533","","","0.1322","0.1569","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506742","12.8244","0.0017","16.1213","0.0018","12.0929","0.0014","90","","90","","90","","2500.2","0.5","143","1","143","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H38 Cl2 N2 O2 -","- C24 H38 Cl2 N2 O2 -","- C96 H152 Cl8 N8 O8 -","4","1","","Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN","Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers.","Organic letters","2005","7","24","5413","5415","10.1021/ol052071e","","","0.71069","MoKα","","0.054","0.0462","","","0.1344","0.1706","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506743","25.354","0.002","25.354","0.002","18.437","0.002","90","","90","","120","","10263.9","1.6","143","1","143","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H31 Cl N2 O3 -","- C20 H31 Cl N2 O3 -","- C360 H558 Cl18 N36 O54 -","18","1","","Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN","Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers.","Organic letters","2005","7","24","5413","5415","10.1021/ol052071e","","","0.71069","MoKα","","0.0762","0.0707","","","0.198","0.2048","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506744","13.3595","0.0019","13.797","0.002","16.4","0.002","90","","90","","90","","3022.9","0.7","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 Cl3 Cr N2 O3 -","- C26 H42 Cl3 Cr N2 O3 -","- C104 H168 Cl12 Cr4 N8 O12 -","4","1","","Namba, Kosuke; Wang, Jiashi; Cui, Sheng; Kishi, Yoshito","Surprisingly efficient catalytic Cr-mediated coupling reactions.","Organic letters","2005","7","24","5421","5424","10.1021/ol052085k","","x-ray","0.71073","MoKα","","0.0854","0.0697","","","0.1555","0.164","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506745","13.7216","0.0002","14.7569","0.0002","15.8442","0.0003","90","","90","","90","","3208.26","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 Br3 O6 -","- C29 H45 Br3 O6 -","- C116 H180 Br12 O24 -","4","1","","Kubanek, Julia; Prusak, Anne C.; Snell, Terry W.; Giese, Rachel A.; Hardcastle, Kenneth I.; Fairchild, Craig R.; Aalbersberg, William; Raventos-Suarez, Carmen; Hay, Mark E.","Antineoplastic diterpene-benzoate macrolides from the Fijian red alga Callophycus serratus.","Organic letters","2005","7","23","5261","5264","10.1021/ol052121f","","","1.54178","CuKα","","0.0338","0.0322","","","0.0803","0.0812","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506746","11.924","0.003","13.948","0.003","21.755","0.005","90","","90","","90","","3618.2","1.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H51 Br3 O7.5 -","- C30.5 H51 Br3 O7.5 -","- C122 H204 Br12 O30 -","4","1","","Kubanek, Julia; Prusak, Anne C.; Snell, Terry W.; Giese, Rachel A.; Hardcastle, Kenneth I.; Fairchild, Craig R.; Aalbersberg, William; Raventos-Suarez, Carmen; Hay, Mark E.","Antineoplastic diterpene-benzoate macrolides from the Fijian red alga Callophycus serratus.","Organic letters","2005","7","23","5261","5264","10.1021/ol052121f","","","1.54178","CuKα","","0.1265","0.1174","","","0.2729","0.2797","","","","","","1.117","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506747","10.4525","0.0002","21.2119","0.0004","24.7104","0.0004","90","","90","","90","","5478.73","0.17","296.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Cl10 Fe N8 O6 -","- C43 H52 Cl10 Fe N8 O6 -","- C172 H208 Cl40 Fe4 N32 O24 -","4","1","","Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu","Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.","Organic letters","2005","7","23","5265","5268","10.1021/ol052134t","","","0.7107","MoKα","","","0.0979","","","","0.2677","","","","","","2.033","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506748","21.0852","0.0005","24.6133","0.0007","10.401","0.0002","90","","90","","90","","5397.9","0.2","277.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Cl10 Fe N8 O6 -","- C43 H52 Cl10 Fe N8 O6 -","- C172 H208 Cl40 Fe4 N32 O24 -","4","1","","Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu","Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.","Organic letters","2005","7","23","5265","5268","10.1021/ol052134t","","","0.7107","MoKα","","","0.096","","","","0.2639","","","","","","2.113","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506749","10.9029","0.0002","19.5118","0.0003","12.269","0.0001","90","","94.684","0.001","90","","2601.33","0.07","277.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Fe N4 O3.5 -","- C24 H27 Fe N4 O3.5 -","- C96 H108 Fe4 N16 O14 -","4","2","","Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu","Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.","Organic letters","2005","7","23","5265","5268","10.1021/ol052134t","","","0.7107","MoKα","","","0.0874","","","","0.2285","","","","","","1.349","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506750","10.9323","0.0002","19.5778","0.0004","12.2868","0.0003","90","","94.683","0.002","90","","2620.97","0.1","277.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Fe N4 O3.5 -","- C24 H27 Fe N4 O3.5 -","- C96 H108 Fe4 N16 O14 -","4","2","","Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu","Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.","Organic letters","2005","7","23","5265","5268","10.1021/ol052134t","","","0.7107","MoKα","","","0.082","","","","0.2202","","","","","","1.388","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506751","11.468","0.003","12.662","0.004","13.31","0.004","76.23","0.02","80.61","0.02","89.87","0.02","1850.7","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Fly051","((R,S)-5-hydroxy-2-morpholino-3-spiro-1'-cyclohexyl-2,3- dihydro-1,4-benzodioxin-6-yl)carboxylic methyl ester :[3h]","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","2","","Xu, Daiwang; Chiaroni, Angèle; Largeron, Martine","A one-pot regiospecific synthesis of highly functionalized 1,4-benzodioxin derivatives from an electrochemically induced Diels-Alder reaction.","Organic letters","2005","7","23","5273","5276","10.1021/ol052146e","","","0.71073","MoKα","","0.0748","0.0433","","","0.1013","0.1156","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506752","9.2481","0.001","17.4891","0.0018","14.302","0.0015","90","","97.552","0.002","90","","2293.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl O -","- C30 H23 Cl O -","- C120 H92 Cl4 O4 -","4","1","","Liu, Yuanhong; Song, Feijie; Song, Zhiquan; Liu, Meina; Yan, Bin","Gold-catalyzed cyclization of (Z)-2-en-4-yn-1-ols: highly efficient synthesis of fully substituted dihydrofurans and furans.","Organic letters","2005","7","24","5409","5412","10.1021/ol052160r","","","0.71073","MoKα","","0.0875","0.058","","","0.1353","0.1466","","","","","","0.93","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506753","13.8696","0.0019","13.8755","0.0019","13.9159","0.0019","85.57","0.003","60.812","0.002","83.295","0.003","2321.4","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N6 O5 S -","- C52 H52 N6 O5 S -","- C104 H104 N12 O10 S2 -","2","1","","Sessler, Jonathan L.; Roznyatovskiy, Vladimir; Pantos, G. Dan; Borisova, Natalya E.; Reshetova, Marina D.; Lynch, Vincent M.; Khrustalev, Victor N.; Ustynyuk, Yuri A.","Synthesis and anion binding properties of 2,5-diamidothiophene polypyrrole Schiff base macrocycles.","Organic letters","2005","7","23","5277","5280","10.1021/ol052162b","","","0.71073","MoKα","","0.0587","0.0454","","","0.1005","0.1072","","","","","","1.007","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506754","11.4304","0.0002","18.0089","0.0004","21.9615","0.0006","100.204","0.001","104.918","0.001","99.903","0.001","4185.25","0.17","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H89 Cl3 N12 O4 S2 -","- C97 H89 Cl3 N12 O4 S2 -","- C194 H178 Cl6 N24 O8 S4 -","2","1","","Sessler, Jonathan L.; Roznyatovskiy, Vladimir; Pantos, G. Dan; Borisova, Natalya E.; Reshetova, Marina D.; Lynch, Vincent M.; Khrustalev, Victor N.; Ustynyuk, Yuri A.","Synthesis and anion binding properties of 2,5-diamidothiophene polypyrrole Schiff base macrocycles.","Organic letters","2005","7","23","5277","5280","10.1021/ol052162b","","","0.71073","MoKα","","0.2203","0.0802","","","0.1521","0.1809","","","","","","1.183","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506755","11.1606","0.0002","15.0164","0.0003","16.1627","0.0004","75.206","0.001","71.898","0.001","69.268","0.001","2375.54","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 N6 O4 S -","- C51 H50 N6 O3 S -","- C102 H100 N12 O6 S2 -","2","1","","Sessler, Jonathan L.; Roznyatovskiy, Vladimir; Pantos, G. Dan; Borisova, Natalya E.; Reshetova, Marina D.; Lynch, Vincent M.; Khrustalev, Victor N.; Ustynyuk, Yuri A.","Synthesis and anion binding properties of 2,5-diamidothiophene polypyrrole Schiff base macrocycles.","Organic letters","2005","7","23","5277","5280","10.1021/ol052162b","","","0.71073","MoKα","","0.2467","0.0707","","","0.1336","0.1565","","","","","","0.963","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506756","14.368","0.002","9.905","0.002","16.546","0.002","90","","111.17","0.02","90","","2195.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O S -","- C28 H21 N O S -","- C112 H84 N4 O4 S4 -","4","1","","Alajarín, Mateo; Ortín, María-Mar; Sánchez-Andrada, Pilar; Vidal, Angel; Bautista, Delia","From ketenimines to ketenes to quinolones: two consecutive pseudopericyclic events.","Organic letters","2005","7","23","5281","5284","10.1021/ol052189v","","","0.71073","MoKα","","0.06","0.0367","","","0.0809","0.0866","","","","","","0.927","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506757","22.577","0.005","20.294","0.004","37.95","0.008","90","","92.06","0.03","90","","17377","6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H150 F10 N8 O S3 -","- C164 H116 F20 N8 S6 -","- C656 H464 F80 N32 S24 -","4","1","","Rath, Harapriya; Sankar, Jeyaraman; PrabhuRaja, Viswanathan; Chandrashekar, Tavarekere K.; Joshi, Bhawani S.","Aromatic core-modified twisted heptaphyrins[1.1.1.1.1.1.0]: syntheses and structural characterization.","Organic letters","2005","7","24","5445","5448","10.1021/ol0521937","","","0.71073","MoKα","","0.2069","0.1034","","","0.2533","0.2986","","","","","","0.9","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506758","17.979","0.002","10.718","0.001","11.977","0.001","90","","104.943","0.008","90","","2229.9","0.4","298.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N -","- C30 H25 N -","- C120 H100 N4 -","4","1","","Kanno, Ken-ichiro; Liu, Yuanhong; Iesato, Atsushi; Nakajima, Kiyohiko; Takahashi, Tamotsu","Chromium-mediated synthesis of polycyclic aromatic compounds from halobiaryls.","Organic letters","2005","7","24","5453","5456","10.1021/ol052214x","","","1.5418","CuKα","","","0.0984","","","","0.1373","","","","","","3.383","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506759","10.162","0.002","11.205","0.002","27.271","0.005","90","","90","","90","","3105.2","1","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","1","","Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen","Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.","Organic letters","2005","7","23","5293","5296","10.1021/ol052283b","","","0.71073","MoKα","","0.1027","0.0412","","","0.0766","0.0896","","","","","","0.847","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506760","8.829","0.001","8.999","0.001","20.21","0.002","78.48","0.01","88.69","0.01","84.74","0.01","1566.7","0.3","287","2","287","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","2","","Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen","Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.","Organic letters","2005","7","23","5293","5296","10.1021/ol052283b","","","0.71073","MoKα","","0.1113","0.0594","","","0.1624","0.1836","","","","","","0.87","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506761","9.153","0.001","12.666","0.002","15.801","0.002","90","","90","","90","","1831.8","0.4","288","2","288","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N3 O2 -","- C21 H16 Cl N3 O2 -","- C84 H64 Cl4 N12 O8 -","4","1","","Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen","Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.","Organic letters","2005","7","23","5293","5296","10.1021/ol052283b","","","0.71073","MoKα","","0.0716","0.046","","","0.1045","0.1138","","","","","","0.966","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506762","7.074","0.001","15.601","0.002","17.909","0.003","90","","91.76","0.02","90","","1975.5","0.5","287","2","287","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C88 H76 N12 O12 -","4","1","","Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen","Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.","Organic letters","2005","7","23","5293","5296","10.1021/ol052283b","","","0.71073","MoKα","","0.0858","0.0416","","","0.0928","0.1048","","","","","","0.878","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506763","21.0502","0.0008","8.8331","0.0003","18.6791","0.0006","90","","107.3","0.002","90","","3316","0.2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C136 H200 N8 O40 -","8","1","","Denmark, Scott E.; Baiazitov, Ramil Y.","Intramolecular [4 + 2] cycloaddition of nitroalkenes for construction of vicinal quaternary stereocenters.","Organic letters","2005","7","25","5617","5620","10.1021/ol052316n","","","0.71073","MoKα","","0.0989","0.042","","","0.0805","0.0924","","","","","","0.873","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506764","10.5451","0.0004","14.2808","0.0006","10.7325","0.0004","90","","90.125","0.002","90","","1616.23","0.11","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Denmark, Scott E.; Baiazitov, Ramil Y.","Intramolecular [4 + 2] cycloaddition of nitroalkenes for construction of vicinal quaternary stereocenters.","Organic letters","2005","7","25","5617","5620","10.1021/ol052316n","","","0.71073","MoKα","","0.0807","0.0409","","","0.0812","0.0908","","","","","","0.886","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506765","8.0399","0.0016","14.829","0.003","22.669","0.005","105.23","0.03","100.18","0.03","93.56","0.03","2549.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H64 B2 S2 -","- C61 H64 B2 S2 -","- C122 H128 B4 S4 -","2","1","","Liu, Zhi-Qiang; Shi, Mei; Li, Fu-You; Fang, Qi; Chen, Zhang-Hai; Yi, Tao; Huang, Chun-Hui","Highly selective two-photon chemosensors for fluoride derived from organic boranes.","Organic letters","2005","7","24","5481","5484","10.1021/ol052323b","","","0.71073","MoKα","","0.272","0.145","","","0.2487","0.3007","","","","","","1.135","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506766","9.686","0.004","23.733","0.009","25.31","0.009","90","","90","","90","","5818","4","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 Fe2 N2 O4 -","- C34 H40 Fe2 N2 O4 -","- C272 H320 Fe16 N16 O32 -","8","2","","Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi","Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.","Organic letters","2005","7","26","5809","5812","10.1021/ol0523291","","","0.7107","MoKα","","","0.053","","","","0.054","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506767","12.647","0.003","11.666","0.003","20.496","0.005","90","","95.638","0.004","90","","3009.3","1.3","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 Fe2 N2 O4 -","- C34 H38 Fe2 N2 O4 -","- C136 H152 Fe8 N8 O16 -","4","2","","Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi","Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.","Organic letters","2005","7","26","5809","5812","10.1021/ol0523291","","","0.7107","MoKα","","","0.061","","","","0.062","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506768","11.484","0.005","12.169","0.006","18.868","0.009","90","","90","","90","","2637","2","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Fe2 N2 O2 -","- C30 H40 Fe2 N2 O2 -","- C120 H160 Fe8 N8 O8 -","4","1","","Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi","Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.","Organic letters","2005","7","26","5809","5812","10.1021/ol0523291","","","0.7107","MoKα","","","0.061","","","","0.062","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506769","12.632","0.008","7.864","0.004","14.964","0.01","90","","101.258","0.007","90","","1457.9","1.5","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H8 Se4 -","- C16 H8 Se4 -","- C64 H32 Se16 -","4","1","","Okamoto, Toshihiro; Kudoh, Kenichi; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General synthesis of thiophene and selenophene-based heteroacenes.","Organic letters","2005","7","23","5301","5304","10.1021/ol0523650","","","0.7107","MoKα","","0.0521","0.051","","","0.1309","0.132","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506770","7.933","0.004","26.589","0.015","5.906","0.003","90","","90","","90","","1245.8","1.1","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H8 S3 -","- C16 H8 S3 -","- C64 H32 S12 -","4","0.5","","Okamoto, Toshihiro; Kudoh, Kenichi; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General synthesis of thiophene and selenophene-based heteroacenes.","Organic letters","2005","7","23","5301","5304","10.1021/ol0523650","","","0.7107","MoKα","","0.0422","0.0417","","","0.0913","0.0915","","","","","","1.218","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506771","11.014","0.001","13.147","0.002","4.8355","0.0006","95.35","0.01","97.18","0.01","113.337","0.008","629.98","0.15","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Minami, Kimi; Kawamura, Yasufumi; Koga, Koichi; Hosokawa, Takahiro","Palladium(II)-catalyzed oxidative transformation of allylic alcohols and vinyl ethers into 2-alkoxytetrahydrofurans: catechol as an activator of catalyst.","Organic letters","2005","7","25","5689","5692","10.1021/ol052377l","","","0.7107","MoKα","","","0.0607","","","","0.2061","","","","","","1.498","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506772","19.238","0.004","12.755","0.003","15.148","0.003","90","","124.62","0.01","90","","3058.9","1.2","298.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C128 H152 N8 O40 -","8","1","","Minami, Kimi; Kawamura, Yasufumi; Koga, Koichi; Hosokawa, Takahiro","Palladium(II)-catalyzed oxidative transformation of allylic alcohols and vinyl ethers into 2-alkoxytetrahydrofurans: catechol as an activator of catalyst.","Organic letters","2005","7","25","5689","5692","10.1021/ol052377l","","","0.7107","MoKα","","","0.0523","","","","0.1634","","","","","","0.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506773","7.6022","0.0001","9.2365","0.0002","12.431","0.0002","102.263","0.001","96.458","0.001","100.565","0.001","828.02","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C36 H52 N4 O6 -","2","1","","Sales, Marcelo; Charette, André B","A Diels-Alder approach to the stereoselective synthesis of 2,3,5,6-tetra- and 2,3,4,5,6-pentasubstituted piperidines.","Organic letters","2005","7","26","5773","5776","10.1021/ol052436v","","","1.54178","CuKα","","0.0489","0.0457","","","0.1356","0.1391","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506774","10.685","0.003","24.806","0.006","8.872","0.002","90","","108.68","0.03","90","","2227.7","1","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","C 1 c 1","C -2yc","9","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","1","","Sales, Marcelo; Charette, André B","A Diels-Alder approach to the stereoselective synthesis of 2,3,5,6-tetra- and 2,3,4,5,6-pentasubstituted piperidines.","Organic letters","2005","7","26","5773","5776","10.1021/ol052436v","","","1.54178","CuKα","","0.0518","0.0418","","","0.0891","0.0921","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506775","9.2671","0.0013","14.343","0.002","12.2312","0.0017","90","","95.604","0.002","90","","1618","0.4","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H60 O Si3 -","- C27 H59 O Si3 -","- C54 H118 O2 Si6 -","2","1","","Cleary, Pamela A.; Woerpel, K. A.","Metal-catalyzed rearrangement of homoallylic ethers to silylmethyl allylic silanes in the presence of a Di-tert-butylsilylene source.","Organic letters","2005","7","24","5531","5533","10.1021/ol052456x","","","0.71073","MoKα","","0.1215","0.1043","","","0.2569","0.2778","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506776","15.45","0.004","9.102","0.002","15.6427","0.0004","90","","109.702","0.004","90","","2071","0.7","113.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 O6 -","- C27 H20 O6 -","- C108 H80 O24 -","4","1","","Lumb, Jean-Philip; Trauner, Dirk","Pericyclic reactions of prenylated naphthoquinones: biomimetic syntheses of mollugin and microphyllaquinone.","Organic letters","2005","7","26","5865","5868","10.1021/ol052472u","","","0.7107","MoKα","","0.209","0.0908","","0.1194","","0.0997","","","","","","2.331","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506777","8.798","0.002","9.098","0.002","13.336","0.003","85.941","0.004","80.845","0.003","88.91","0.004","1051.2","0.4","113.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H19 O6 -","- C27 H17 O6 -","- C54 H34 O12 -","2","1","","Lumb, Jean-Philip; Trauner, Dirk","Pericyclic reactions of prenylated naphthoquinones: biomimetic syntheses of mollugin and microphyllaquinone.","Organic letters","2005","7","26","5865","5868","10.1021/ol052472u","","","0.7107","MoKα","","0.1293","0.0777","","0.1062","","0.098","","","","","","3.228","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506778","30.718","0.003","6.6546","0.0006","26.833","0.003","90","","105.942","0.002","90","","5274.1","0.9","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 Br O3 Si -","- C28 H31 Br O3 Si -","- C224 H248 Br8 O24 Si8 -","8","1","","Sasaki, Michiko; Higashi, Mariko; Masu, Hyuma; Yamaguchi, Kentaro; Takeda, Kei","Asymmetric [2,3]-Wittig rearrangement induced by a chiral carbanion whose chirality was transferred from an epoxide.","Organic letters","2005","7","26","5913","5915","10.1021/ol052544h","","","0.71073","MoKα","","0.1402","0.0669","","","0.1672","0.208","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506779","14.219","0.009","17.256","0.01","19.305","0.012","90","","90","","90","","4737","5","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Cl10 N2 O2 Rh S -","- C40 H41 Cl10 N2 O2 Rh S -","- C160 H164 Cl40 N8 O8 Rh4 S4 -","4","1","","Matharu, Daljit S.; Morris, David J.; Kawamoto, Aparecida M.; Clarkson, Guy J.; Wills, Martin","A stereochemically well-defined rhodium(III) catalyst for asymmetric transfer hydrogenation of ketones.","Organic letters","2005","7","24","5489","5491","10.1021/ol052559f","","","0.71073","MoKα","","0.13","0.057","","","0.1279","0.1641","","","","","","0.973","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506780","6.3947","0.0002","9.4295","0.0002","21.418","0.0005","90","","96.469","0.001","90","","1283.26","0.06","150","2","150","2","","","","","","","Hon Lam. No reaction number given.","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0664","0.0548","","","0.1318","0.1384","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506781","20.693","0.002","5.8798","0.0007","13.1078","0.0018","90","","98.577","0.007","90","","1577","0.3","150","2","150","2","","","","","","","Hon Lam, reaction 1/35/2","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0681","0.047","","","0.1232","0.1326","","","","","","1.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506782","20.3081","0.0008","6.8444","0.0003","10.4444","0.0005","90","","98.961","0.003","90","","1434.02","0.11","150","","150","","","","","","","","H. Lam","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C60 H84 N4 O12 -","4","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0795","0.0547","","0.1294","0.1179","0.1294","","","","","","0.9818","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506783","20.655","0.0003","6.0188","0.0001","13.3363","0.0002","90","","97.128","0.001","90","","1645.13","0.04","150","","150","","","","","","","","G. Murray","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0811","0.0558","","0.1297","0.1184","0.1297","","","","","","0.9474","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506784","6.4784","0.0005","9.8027","0.0009","26.807","0.003","90","","90","","90","","1702.4","0.3","150","","150","","","","","","","","G. Murray","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C68 H92 N4 O20 -","4","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0743","0.0442","","0.1042","0.0905","0.1042","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506785","6.5512","0.0013","17.231","0.004","8.6956","0.0018","90","","104.558","0.003","90","","950.1","0.4","150","","150","","","","","","","","G. Murray","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0649","0.0516","","0.1099","0.1036","0.1099","","","","","","1.0371","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506786","9.757","0.003","10.425","0.003","11.465","0.004","90","","90","","90","","1166.2","0.6","207","2","207","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C52 H80 O8 -","4","1","","Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis","Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade.","Organic letters","2005","7","26","5921","5923","10.1021/ol0527072","","","0.71073","MoKα","","0.0415","0.0368","","","0.0835","0.0854","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506787","6.444","0.003","11.881","0.005","17.404","0.007","104.598","0.008","90.33","0.009","93.691","0.009","1286.4","1","207","2","207","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H36 O6 -","- C31 H36 O6 -","- C62 H72 O12 -","2","1","","Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis","Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade.","Organic letters","2005","7","26","5921","5923","10.1021/ol0527072","","","0.71073","MoKα","","0.1335","0.1068","","","0.2915","0.3058","","","","","","1.163","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506788","11.07","0.005","18.754","0.009","8.287","0.004","90","","90","","90","","1720.4","1.4","207","2","207","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis","Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade.","Organic letters","2005","7","26","5921","5923","10.1021/ol0527072","","","0.71073","MoKα","","0.0869","0.0544","","","0.0935","0.1032","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506789","8.879","0.001","9.416","0.001","22.361","0.002","90","","95.98","0.007","90","","1859.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tazarotene","6-(2-(4,4-dimethyl-thiochroman-6yl)ethynyl)-nicotinic acid ethyl ester","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","","Frigoli, Samuele; Fuganti, Claudio; Malpezzi, Luciana; Serra, Stefano","A Practical and Efficient Process for the Preparation of Tazarotene","Organic Process Research & Development","2005","9","5","646","","10.1021/op050080x","","","1.54179","CuKα","","0.0644","0.0592","","","0.1585","0.1648","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506790","10.066","0.002","28.719","0.005","4.831","0.001","90","","103.45","0.01","90","","1358.3","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine dihydrate","5H-dibenz(b,f)azepine-5-carboxamide, dihydrate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Harris, Robin K.; Ghi, Phuong Y.; Puschmann, Horst; Apperley, David C.; Griesser, Ulrich J.; Hammond, Robert B.; Ma, Caiyun; Roberts, Kevin J.; Pearce, Greg J.; Yates, Jonathan R.; Pickard, Chris J.","Structural Studies of the Polymorphs of Carbamazepine, Its Dihydrate, and Two Solvates","Organic Process Research & Development","2005","9","6","902","","10.1021/op0500990","","","0.71073","MoKα","","0.0916","0.0729","","","0.1926","0.214","","","","","","0.85","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506791","6.1214","0.0007","10.1587","0.0012","31.893","0.004","90","","90","","90","","1983.3","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1S trans, αR)","","","- C21 H19 Cl2 N O3 -","- C21 H19 Cl2 N O3 -","- C84 H76 Cl8 N4 O12 -","4","1","","Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.","Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.","Chemical research in toxicology","2005","18","3","516","527","10.1021/tx049773h","","","0.71073","MoKα","","0.0284","0.0254","","","0.0626","0.065","","","","","","1.069","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506792","6.1223","0.0008","10.1589","0.0013","31.893","0.004","90","","90","","90","","1983.6","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1R trans, αS)","","","- C21 H19 Cl2 N O3 -","- C21 H19 Cl2 N O3 -","- C84 H76 Cl8 N4 O12 -","4","1","","Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.","Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.","Chemical research in toxicology","2005","18","3","516","527","10.1021/tx049773h","","","0.71073","MoKα","","0.0303","0.027","","","0.0674","0.0701","","","","","","1.037","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506793","5.7009","0.0006","18.4406","0.0019","19.793","0.002","90","","90","","90","","2080.8","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2R,αS","","","- C24 H22 Cl N O3 -","- C24 H22 Cl N O3 -","- C96 H88 Cl4 N4 O12 -","4","1","","Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.","Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.","Chemical research in toxicology","2005","18","3","516","527","10.1021/tx049773h","","","0.71073","MoKα","","0.0432","0.0322","","","0.0725","0.0802","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508503","5.38641","0.00016","5.38641","0.00016","13.1907","0.0006","90","","90","","120","","331.43","0.02","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lanthanum Aluminate","","- Al La O3 -","- Al La O3 -","- Al6 La6 O18 -","6","0.166667","","Hayward, S.A.; Morrison, F.D.; Redfern, S.A.T.; Salje, E.K.H.; Scott, J.F.; Knight, K.S.; Tarantino, S.; Glazer, A.M.; Shuvaeva, V.; Daniel, P.; Zhang, M.; Carpenter, M.A.","Transformation processes in LaAlO3: neutron diffraction, dielectric, thermal, optical and Raman studies","Physical Review B","2005","72","5","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1509210","8.089","","5.312","","6.752","","90","","90","","90","","290.125","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ag (B F4)","","- Ag B F4 -","- Ag B F4 -","- Ag4 B4 F16 -","4","0.5","","Goreshnik, E.; Mazej, Z.","X-ray single crystal structure and vibrational spectra of Ag B F4","Solid State Sciences","2005","7","","1225","1229","10.1016/j.solidstatesciences.2005.06.007","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509433","7.3001","","13.2115","","10.0795","","90","","90.47","","90","","972.087","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ag La (P O3)4","","- Ag La O12 P4 -","- Ag La O12 P4 -","- Ag4 La4 O48 P16 -","4","1","","Maazaz, M.; Imaz, I.; Chaminade, J.P.; Mesnaoui, M.; El Masloumi, M.; Videau, J.J.; Couzi, M.","Synthesis, crystal structure and vibrational spectra characterization of M(I) La (P O3)4","Journal of Solid State Chemistry","2005","178","","3581","3588","10.1016/j.jssc.2005.09.011","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509609","6.6427","","6.6427","","6.6427","","90","","90","","90","","293.112","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li Ag1.68 In1.32","","- Ag1.68 In1.32 Li -","- Ag1.68 In1.32 Li -","- Ag6.72 In5.28 Li4 -","4","0.0208333","","Pauly, H.; Pavlyuk, V.V.; Chumak, I.V.; Ehrenberg, H.; Dmytriv, G.S.","The crystal structure of the Li Ag2 In compound","Journal of Solid State Chemistry","2005","178","","3303","3307","10.1016/j.jssc.2005.08.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509614","6.5989","","6.5989","","6.5989","","90","","90","","90","","287.352","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li Ag1.86 In1.14","","- Ag1.86 In1.14 Li -","- Ag1.86 In1.14 Li -","- Ag7.44 In4.56 Li4 -","4","0.0208333","","Ehrenberg, H.; Pavlyuk, V.V.; Pauly, H.; Dmytriv, G.S.; Chumak, I.V.","The crystal structure of the Li Ag2 In compound","Journal of Solid State Chemistry","2005","178","","3303","3307","10.1016/j.jssc.2005.08.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509646","6.5696","","6.5696","","6.5696","","90","","90","","90","","283.542","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li Ag2 In","","- Ag2 In Li -","- Ag2 In Li -","- Ag8 In4 Li4 -","4","0.0208333","","Chumak, I.V.; Ehrenberg, H.; Dmytriv, G.S.; Pauly, H.; Pavlyuk, V.V.","The crystal structure of the Li Ag2 In compound","Journal of Solid State Chemistry","2005","178","","3303","3307","10.1016/j.jssc.2005.08.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509886","12.68145","","12.68145","","15.34087","","90","","90","","120","","2136.58","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Ag4 Mn3 O8 -","- Ag4 Mn3 O8 -","- Ag48 Mn36 O96 -","12","0.666667","","Jansen, M.; Ahlert, S.; Dinnebier, R.","The crystal structures of the high temperature phases of Ag4 Mn3 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","90","98","10.1002/zaac.200400421","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509887","8.95996","","8.95996","","8.95996","","90","","90","","90","","719.314","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Ag4.00 Mn3 O8","","- Ag4 Mn3 O8 -","- Ag4.0002 Mn3 O8 -","- Ag16.0008 Mn12 O32 -","4","0.166667","","Jansen, M.; Ahlert, S.; Dinnebier, R.","The crystal structures of the high temperature phases of Ag4 Mn3 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","90","98","10.1002/zaac.200400421","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509911","13.834","","7.657","","13.643","","90","","90.08","","90","","1445.16","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ag5 Te1.9 Se0.1 Cl","","- Ag5 Cl Se0.1 Te1.9 -","- Ag5 Cl Se0.10415 Te1.89585 -","- Ag40 Cl8 Se0.8332 Te15.1668 -","8","2","","Dreher, C.; Nilges, T.; Hezinger, A.","Structures, phase transitions and electrical properties of Ag5 Te(2-y) Se(y) Cl (y = 0-0.7)","Solid State Sciences","2005","7","","79","88","10.1016/j.solidstatesciences.2004.10.012","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509912","9.708","","9.708","","7.771","","90","","90","","90","","732.38","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ag5 Te1.7 Se0.3 Cl","","- Ag5 Cl Se0.3 Te1.7 -","- Ag5 Cl Se0.3 Te1.7 -","- Ag20 Cl4 Se1.2 Te6.8 -","4","0.125","","Nilges, T.; Dreher, C.; Hezinger, A.","Structures, phase transitions and electrical properties of Ag5 Te(2-y) Se(y) Cl (y = 0-0.7)","Solid State Sciences","2005","7","","79","88","10.1016/j.solidstatesciences.2004.10.012","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509951","13.5101","","13.5101","","13.5101","","90","","90","","90","","2465.9","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","K (Ag6.5 In6.5)","","- Ag6.5 In6.5 K -","- Ag6.5 In6.5 K -","- Ag52 In52 K8 -","8","0.0416667","","Bailey, M.S.; DiSalvo, F.J.; McGuire, M.A.","Synthesis and Characterization of K (In6.5 Ag6.5)","Journal of Solid State Chemistry","2005","178","","3494","3499","10.1016/j.jssc.2005.09.004","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510922","6.8822","","4.9945","","12.5748","","90","","92.954","","90","","431.661","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","K Zn4 B3 O9","","- B3 K O9 Zn4 -","- B3 K O9 Zn4 -","- B6 K2 O18 Zn8 -","2","0.5","","Cheng, W.-D.; Kan, Z.-G.; Zhang, H.; Gong, Y.-J; Zhang, Y.-J.; Chen, D.-G.; Wu, D.-S.","Synthesis, band structures and optical properties of Zn3 B2 O6 and K Zn4 B3 O9","Solid State Sciences","2005","7","","179","188","10.1016/j.solidstatesciences.2004.09.001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511413","7.2209","","7.2209","","8.0545","","90","","90","","90","","419.973","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Dy10 Si3.84 B16","","- B16 Dy10 Si3.84 -","- B16 Dy10 Si3.844 -","- B16 Dy10 Si3.844 -","1","0.0625","","Guerin, R.; Bauer, J.; Ashbrook, S.E.; Halet, J.F.; Hiebl, K.; Roger, J.; Babizhetskyy, V.; Cordier, S.; le Polles, L.","Crystal structures, physical properties and NMR experiments on the ternary rare-earth metal silicide boride compounds RE5Si2B8 (RE = Y, Sm, Gd, Tb, Dy Ho)","Journal of Solid State Chemistry","2005","178","","1851","1863","10.1016/j.jssc.2005.02.023","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511414","7.2665","","7.2665","","8.2229","","90","","90","","90","","434.186","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Gd10 Si3.68 B16","","- B16 Gd10 Si3.68 -","- B16 Gd10 Si3.68 -","- B16 Gd10 Si3.68 -","1","0.0625","","Ashbrook, S.E.; Cordier, S.; Guerin, R.; Babizhetskyy, V.; Halet, J.F.; le Polles, L.; Bauer, J.; Roger, J.; Hiebl, K.","Crystal structures, physical properties and NMR experiments on the ternary rare-earth metal silicide boride compounds RE5Si2B8 (RE = Y, Sm, Gd, Tb, Dy Ho)","Journal of Solid State Chemistry","2005","178","","1851","1863","10.1016/j.jssc.2005.02.023","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511416","7.183","","7.183","","7.99","","90","","90","","90","","412.248","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Ho10 Si3.88 B16","","- B16 Ho10 Si3.88 -","- B16 Ho10 Si3.884 -","- B16 Ho10 Si3.884 -","1","0.0625","","Halet, J.F.; Babizhetskyy, V.; Guerin, R.; Cordier, S.; Hiebl, K.; Ashbrook, S.E.; Bauer, J.; Roger, J.; le Polles, L.","Crystal structures, physical properties and NMR experiments on the ternary rare-earth metal silicide boride compounds RE5 Si2 B8 (RE = Y, Sm, Gd, Tb, Dy Ho)","Journal of Solid State Chemistry","2005","178","","1851","1863","10.1016/j.jssc.2005.02.023","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511418","7.2616","","7.2616","","8.226","","90","","90","","90","","433.764","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Sm10 Si3.64 B16","","- B16 Si3.64 Sm10 -","- B16 Si3.64 Sm10 -","- B16 Si3.64 Sm10 -","1","0.0625","","Cordier, S.; le Polles, L.; Bauer, J.; Babizhetskyy, V.; Halet, J.F.; Ashbrook, S.E.; Roger, J.; Hiebl, K.; Guerin, R.","Crystal structures, physical properties and NMR experiments on the ternary rare-earth metal silicide boride compounds RE5 Si2 B8 (RE = Y, Sm, Gd, Tb, Dy Ho)","Journal of Solid State Chemistry","2005","178","","1851","1863","10.1016/j.jssc.2005.02.023","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511419","7.232","","7.232","","8.1263","","90","","90","","90","","425.02","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Tb10 Si3.76 B16","","- B16 Si3.76 Tb10 -","- B16 Si3.772 Tb10 -","- B16 Si3.772 Tb10 -","1","0.0625","","Guerin, R.; Roger, J.; Hiebl, K.; Halet, J.F.; Bauer, J.; Babizhetskyy, V.; Ashbrook, S.E.; le Polles, L.; Cordier, S.","Crystal structures, physical properties and NMR experiments on the ternary rare-earth metal silicide boride compounds RE5Si2B8 (RE = Y, Sm, Gd, Tb, Dy Ho)","Journal of Solid State Chemistry","2005","178","","1851","1863","10.1016/j.jssc.2005.02.023","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512902","22.96","0.008","15.372","0.005","27.916","0.01","90","","100.058","0.006","90","","9701","6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3) Hf4(O)(cat)6(cat-H)2(py)4","","","- C68 H52 Hf4 N4 O17 -","- C68 H52 Hf4 N4 O17 -","- C272 H208 Hf16 N16 O68 -","4","1","","Timothy J. Boyle; Louis J. Tribby; Todd M. Alam; Scott D. Bunge; Gregory P. Holland","Catechol derivatives of Group 4 and 5 compounds","Polyhedron","2005","24","10","1143","1152","10.1016/j.poly.2005.03.055","","","0.71073","MoKα","","0.1458","0.112","","","0.2854","0.3038","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512903","9.9941","0.0012","10.3747","0.0012","31.784","0.004","90","","97.73","0.002","90","","3265.6","0.7","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4) Nb(cat)2(cat-H)(py)","","","- C38 H32 N4 Nb O6 -","- C38 H32 N4 Nb O6 -","- C152 H128 N16 Nb4 O24 -","4","1","","Timothy J. Boyle; Louis J. Tribby; Todd M. Alam; Scott D. Bunge; Gregory P. Holland","Catechol derivatives of Group 4 and 5 compounds","Polyhedron","2005","24","10","1143","1152","10.1016/j.poly.2005.03.055","","","0.71073","MoKα","","0.0724","0.0449","","","0.1032","0.1196","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512904","10.5834","0.0015","11.7465","0.0016","20.504","0.003","105.338","0.002","92.582","0.002","95.276","0.002","2441.4","0.6","273","2","273","2","","","","","","","","5","P -1","-P 1","2","(5) [Ta(cat)3(py)]","","","- C28 H22 N2 O6 Ta -","- C28 H22 N2 O6 Ta -","- C112 H88 N8 O24 Ta4 -","4","2","","Timothy J. Boyle; Louis J. Tribby; Todd M. Alam; Scott D. Bunge; Gregory P. Holland","Catechol derivatives of Group 4 and 5 compounds","Polyhedron","2005","24","10","1143","1152","10.1016/j.poly.2005.03.055","","","0.71073","MoKα","","0.0527","0.0396","","","0.0802","0.0863","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512905","13.44","0.002","13.442","0.002","14.26","0.002","107.272","0.002","97.817","0.002","96.66","0.002","2403.7","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(2) Zr4(O)2(OFc)2(OPri)10","","","- C32 H72 O16 Zr4 -","- C32 H72 O16 Zr4 -","- C64 H144 O32 Zr8 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.0777","0.051","","","0.1234","0.1422","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512906","9.8983","0.0018","10.6175","0.0019","18.776","0.003","80.995","0.003","75.404","0.003","84.231","0.003","1882.2","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(3) Zr3(O)(OAc)5(OPri)5","","","- C25 H50 O16 Zr3 -","- C25 H50 O16 Zr3 -","- C50 H100 O32 Zr6 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.0645","0.0398","","","0.0877","0.105","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512907","11.208","0.002","12.049","0.002","14.234","0.003","85.227","0.003","81.458","0.003","67.976","0.003","1761.4","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(4) [Zr2(m-OPc)2(m-OPri)2(OPri)4]2","","","- C52 H112 O20 Zr4 -","- C52 H112 O20 Zr4 -","- C52 H112 O20 Zr4 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.1693","0.0868","","","0.1136","0.1342","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512908","12.737","0.003","12.943","0.003","15.756","0.004","76.786","0.004","86.427","0.004","61.086","0.003","2209.9","0.9","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(5) Zr2(OBc)(OPri)7(HOPri)*(HOPri)","","","- C32 H74 O11 Zr2 -","- C32 H74 O11 Zr2 -","- C64 H148 O22 Zr4 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.0716","0.0635","","","0.1686","0.1774","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512909","9.644","0.005","13.548","0.007","18.337","0.009","82.959","0.007","77.981","0.008","71.51","0.007","2218","2","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(6) Zr2(ONc)(HONc)(OPRi)7","","","- C33 H71 O11 Zr2 -","- C33 H71 O11 Zr2 -","- C66 H142 O22 Zr4 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.2225","0.1179","","","0.2126","0.2566","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512910","23.789","0.004","9.2954","0.0016","27.339","0.005","90","","115.287","0.003","90","","5466.2","1.7","168","2","168","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(8) Zr3(m-O)(OAc)3(ONep)7","","","- C41 H86 O14 Zr3 -","- C41 H86 O14 Zr3 -","- C164 H344 O56 Zr12 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.1251","0.0588","","","0.1299","0.1677","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512911","10.158","0.012","10.195","0.012","11.147","0.013","86.68","0.03","88.4","0.02","84.5","0.03","1147","2","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(9)Zr2OPc2ONEP6","","","- C38 H82 O10 Zr2 -","- C38 H82 O10 Zr2 -","- C38 H82 O10 Zr2 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.1715","0.0758","","","0.1653","0.214","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512914","15.051","0.008","15.642","0.009","25.761","0.015","95.09","0.011","93.18","0.011","117.329","0.01","5335","5","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(11) Zr5(O)3(ONc)6(ONep)8*(HONep)+0.5(Tol)","","","- C84.5 H170 O24 Zr5 -","- C81 H165 O24 Zr5 -","- C162 H330 O48 Zr10 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.1238","0.0658","","","0.1491","0.1704","","","","","","0.986","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513300","10.604","0.000004","10.604","0.000004","10.604","0.000004","90","","90","","90","","1192.36","0.0008","295","","295","","","","","","","","","2","I a -3","-I 2b 2c 3","206","yttria oxide","yttria oxide","","- O3 Y2 -","- O3 Y2 -","- O48 Y32 -","16","0.333333","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","1.37791","synchrotron","","","","","","","","","","0.83","","","","","","","has coordinates","190338","2020-10-21","18:00:00",""
"1513301","8.3814","0.0005","8.3814","","8.3814","","90","","90","","90","","588.78","0.04","14","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","iron oxide","iron oxide","","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513302","5.68278","0.00002","5.682775","","8.02337","0.00005","90","","90","","90","","259.106","0.0019","14","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ba Fe0.5 O3 Re0.5 -","- Ba Fe0.5 O3 Re0.5 -","- Ba4 Fe2 O12 Re2 -","4","0.125","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513303","8.063327","0.000013","8.063327","","8.063327","","90","","90","","90","","524.255","0.0008","400","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba Fe0.5 O3 Re0.5 -","- Ba Fe0.5 O3 Re0.5 -","- Ba8 Fe4 O24 Re4 -","8","0.0416667","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513304","8.3985","0.0005","8.3985","","8.3985","","90","","90","","90","","592.39","0.04","400","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","iron oxide","iron oxide","","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513309","38.544","0.022","8.2161","0.0039","26.46","0.015","90","","120.605","0.009","90","","7212","7","293.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H34 N4 O2 S -","- C41 H30 N4 O2 S -","- C328 H240 N32 O16 S8 -","8","1","","Kozaki, Masatoshi; Isoyama, Asuka; Akita, Kogen; Okada, Keiji","Preparation, Properties, and Reduction of Heteroaromatic Quinoids with 1,4-Diazacyclopentadien-2-ylidene Terminals","Organic Letters","2005","7","1","115","118","10.1021/ol0476927","","","0.7107","MoKα","","","0.075","","","","0.082","","","","","","1.122","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513327","17.882","0.003","5.4573","0.0003","9.6817","0.0014","90","","104.699","0.008","90","","913.9","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 O -","- C5 H10 O -","- C40 H80 O8 -","8","2","XD5001","Moggach, S. A.; Allan, D. R.; Lozano-Casal, P.; Parsons, S.","High-pressure polymorphism of cyclopentanol (C5H10O): the structure of cyclopentanol phase-V at 1.5 GPa","Journal of Synchrotron Radiation","2005","12","5","590","597","10.1107/S0909049505021461","","","0.6777","synchrotronradiation","","0.0653","0.0487","","0.1278","0.1143","0.1278","","","","","","0.9318","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513328","5.4203","0.0005","5.4203","0.0005","55.98","0.012","90","","90","","120","","1424.3","0.4","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.71073","MoKα","","0.0527","0.0476","","0.1054","0.1032","0.1054","","","","","","1.0671","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513329","5.403","0.0001","5.403","0.0001","55.984","0.004","90","","90","","120","","1415.35","0.11","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0376","0.0351","","0.0894","0.085","0.0894","","","","","","1.0582","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513330","5.3524","0.0002","5.3524","0.0002","55.087","0.014","90","","90","","120","","1366.7","0.4","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0379","0.0356","","0.0891","0.0879","0.0891","","","","","","1.0549","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513331","5.3141","0.0001","5.3141","0.0001","54.291","0.003","90","","90","","120","","1327.75","0.08","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0519","0.0483","","0.1122","0.1097","0.1122","","","","","","1.0538","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513332","5.2663","0.0001","5.2663","0.0001","53.549","0.005","90","","90","","120","","1286.15","0.12","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0967","0.0934","","0.2144","0.2112","0.2144","","","","","","1.0884","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514025","9.993","0.011","9.993","0.011","2.853","0.003","90","","90","","90","","284.9","0.5","","","","","","","","","","","","3","I 4/m","-I 4","87","","(dilithium Oxide) (manganese(IV) Oxide) (0.12/1)","","- Li0.24 Mn O2.12 -","- Mn O2.12 -","- Mn8 O16.96 -","8","0.5","","Kijima, N.; Takahashi, Y.; Akimoto, J.; Awaka, J.","Lithium ion insertion and extraction reactions with Hollandite-type manganese dioxide free from any stabilizing cations in its tunnel cavity","Journal of Solid State Chemistry","2005","178","","2741","2750","10.1016/j.jssc.2005.06.023","","","","","","0.0131","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514026","8.22","0.003","8.22","0.003","8.22","0.003","90","","90","","90","","555.4","0.4","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (0.4/1/2) - I","","- Li0.4 Mn O2 -","- Li0.4 Mn O2 -","- Li6.4 Mn16 O32 -","16","0.0833333","","Idemoto, Y.; Konno, Y.; Ui, K.; Koura, N.","Li content dependence of thermodynamic stability abd the crystal structure of Lix Mn1-y My O2 (M = Mn, Al, Cu) as a cathode active material for Li secondary battery","Electrochemistry (Tokyo)","2005","73","9","823","829","","","","","","","0.0452","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514027","4.656","0.006","2.832","0.006","5.766","0.014","90","","90","","90","","76","0.3","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganese Oxide (0.7/1/2) - Ii","","- Li0.7 Mn O2 -","- Li0.7 Mn O2 -","- Li1.4 Mn2 O4 -","2","0.25","","Idemoto, Y.; Konno, Y.; Ui, K.; Koura, N.","Li content dependence of thermodynamic stability abd the crystal structure of Lix Mn1-y My O2 (M = Mn, Al, Cu) as a cathode active material for Li secondary battery","Electrochemistry (Tokyo)","2005","73","9","823","829","","","","","","","0.0452","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1516240","14.24","0.0007","6.321","0.0004","36.476","0.002","90","","98.915","0.003","90","","3243.6","0.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","2","","Yang, Shu-Wen; Elangovan, Arumugasamy; Ho, Tong-Ing","Donor-substituted phenyl-pi-chromones: electrochemiluminescence and intriguing electronic properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","4","327","332","10.1039/b416319b","","","0.71073","MoKα","","0.2998","0.1601","","0.3932","0.3582","","","","1.672","2.578","2.578","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516241","10.414","0.003","21.894","0.005","17.805","0.004","90","","99.73","0.004","90","","4001.2","1.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B2 Cl4 N13 O3 Pr -","- C34 H32 B2 Cl4 N13 O3 Pr -","- C136 H128 B8 Cl16 N52 O12 Pr4 -","4","1","","Davies, Graham M.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen; Ward, Michael D.","Photophysical properties of Pr(III) and Er(III) complexes of poly(pyrazolyl)borates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","10","829","834","10.1039/b508382f","","","0.71073","MoKα","","0.0985","0.0677","","","0.1933","0.2181","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516242","10.8892","0.0016","20.125","0.003","18.381","0.003","90","","105.919","0.002","90","","3873.6","1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B2 Cl4 Er N13 O3 -","- C34 H32 B2 Cl4 Er N13 O3 -","- C136 H128 B8 Cl16 Er4 N52 O12 -","4","1","","Davies, Graham M.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen; Ward, Michael D.","Photophysical properties of Pr(III) and Er(III) complexes of poly(pyrazolyl)borates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","10","829","834","10.1039/b508382f","","","0.71073","MoKα","","0.031","0.0239","","","0.0556","0.0576","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516243","15.986","0.002","12.999","0.001","18.745","0.002","90","","107.35","0.01","90","","3718","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Si -","- C22 H24 Si -","- C176 H192 Si8 -","8","1","","Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G.","Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","6","469","480","10.1039/b502089a","","","0.71073","MoKα","","0.0817","0.049","","","0.117","0.1355","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516244","17.088","0.002","10.053","0.003","13.654","0.002","90","","90","","90","","2345.6","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H28 O Si -","- C29 H28 O Si -","- C116 H112 O4 Si4 -","4","1","","Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G.","Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","6","469","480","10.1039/b502089a","","","0.71073","MoKα","","0.095","0.0555","","","0.1316","0.1616","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516245","7.173","0.0004","10.269","0.0005","22.512","0.0011","90","","90.57","0.004","90","","1658.14","0.15","290","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-benzyllumiflavin","3-benzyl-5,7,8-trimethyl-isoalloxazine","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","","Insińska-Rak, Malgorzata; Sikorska, Ewa; Herance, Jose R.; Bourdelande, Jose L.; Khmelinskii, Igor V.; Kubicki, Maciej; Prukała, Wiesław; Machado, Isabel F.; Komasa, Anna; Ferreira, Luis F. V.; Sikorski, Marek","Spectroscopy and photophysics of flavin-related compounds: 3-benzyl-lumiflavin.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","6","463","468","10.1039/b503898g","","","0.71073","MoKα","","0.0832","0.0469","","","0.1182","0.1349","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516246","17.287","0.007","12.249","0.007","17.804","0.01","90","","103.09","0.04","90","","3672","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","exo-3,5,5-trimethyl-1-(2,2-trimethylpropanoyl)-7-oxo- 3,3a,4,5,6,7-hexahydro-2H-indene-2,2-dicarbonitrile","exo-3,5,5-trimethyl-1-(2,2-trimethylpropanoyl)-7-oxo-3,3a,4,5,6,7- hexahydro-2H-indene-2,2-dicarbonitrile","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C152 H192 N16 O16 -","8","2","","Lohmeyer, Britta; Margaretha, Paul","Photocycloaddition of cyclohex-2-enones to alkylidenemalononitriles (1,1-dicyanoalkenes).","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","8","637","640","10.1039/b506022b","","","0.71073","MoKα","","0.1081","0.0575","","","0.1329","0.1542","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516247","18.7448","0.0014","6.7681","0.0005","22.9068","0.0017","90","","111.483","0.001","90","","2704.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1alpha,6alpha-4,4,8,8-tetramethyl-2-oxobicyclo(4.2.0)octane- 7,7-dicarbonitrile","1α,6α-4,4,8,8-tetramethyl-2-oxobicyclo[4.2.0]octane-7,7-dicarbonitrile","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C112 H144 N16 O8 -","8","2","","Lohmeyer, Britta; Margaretha, Paul","Photocycloaddition of cyclohex-2-enones to alkylidenemalononitriles (1,1-dicyanoalkenes).","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","8","637","640","10.1039/b506022b","","","0.71073","MoKα","","0.0669","0.0474","","","0.1225","0.1317","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516248","17.211","0.003","12.442","0.002","22.955","0.003","90","","105.75","0.02","90","","4731","1.4","301.2","","301.2","","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C39 H59 Au2 Br O2 P2 -","- C39 H59 Au2 Br O2 P2 -","- C156 H236 Au8 Br4 O8 P8 -","4","1","","Wing-Wah Yam, Vivian; Cheung, Kai-Leung; Yip, Sung-Kong; Zhu, Nianyong","Synthesis, characterisation, electrochemistry and luminescence studies of 9-anthrylgold(I) complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","1","149","153","10.1039/b410667a","","","0.71073","MoKalpha","","","0.0566","","","0.0836","","","","","2.489","2.489","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"1516249","12.258","0.002","16.047","0.003","23.166","0.003","90","","98.75","0.02","90","","4503.8","1.3","301.2","","301.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Au2 Cl2 P2 -","- C54 H42 Au2 Cl2 P2 -","- C216 H168 Au8 Cl8 P8 -","4","1","","Wing-Wah Yam, Vivian; Cheung, Kai-Leung; Yip, Sung-Kong; Zhu, Nianyong","Synthesis, characterisation, electrochemistry and luminescence studies of 9-anthrylgold(I) complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","1","149","153","10.1039/b410667a","","","0.7107","MoKalpha","","","0.0496","","","0.0604","","","","","1.837","1.837","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517070","13.016","0.002","7.5832","0.0014","12.226","0.002","90","","101.477","0.003","90","","1182.6","0.3","293","2","293","2","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","","","- Bi16 O56 Ta12 -","- Bi16 O56 Ta12 -","- Bi16 O56 Ta12 -","1","0.125","","Muktha, B.; Priya, M. H.; Madras, Giridhar; Guru Row, T. N.","Synthesis, structure, and photocatalysis in a new structural variant of the Aurivillius phase: LiBi4M3O14 (M = Nb, Ta).","The journal of physical chemistry. B","2005","109","23","11442","11449","10.1021/jp051228h","","","0.71073","MoKa","","0.083","0.078","","","0.196","0.2","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517071","13.035","0.003","7.648","0.002","12.217","0.003","90","","101.512","0.004","90","","1193.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi4 Li Nb3 O14 -","- Bi4 Li Nb3 O14 -","- Bi16 Li4 Nb12 O56 -","4","0.5","","Muktha, B.; Priya, M. H.; Madras, Giridhar; Guru Row, T. N.","Synthesis, structure, and photocatalysis in a new structural variant of the Aurivillius phase: LiBi4M3O14 (M = Nb, Ta).","The journal of physical chemistry. B","2005","109","23","11442","11449","10.1021/jp051228h","","","0.71073","MoKa","","0.0576","0.0571","","","0.1626","0.1631","","","","","","1.27","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517081","11.8347","0.0002","12.6758","0.0002","12.9917","0.0002","83.604","0.001","84.093","0.001","65.322","0.001","1756.48","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Br N O2 -","- C21 H16 Br N O2 -","- C84 H64 Br4 N4 O8 -","4","2","","Goldberg, Frederick W.; Magnus, Philip; Turnbull, Rachel","A mild thermal and acid-catalyzed rearrangement of O-aryl ethers into ortho-hydroxy arenes.","Organic letters","2005","7","20","4531","4534","10.1021/ol051943+","","","0.71073","MoKα","","0.0675","0.0416","","","0.0954","0.1073","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517082","8.4348","0.0008","14.1792","0.0018","14.812","0.002","94.72","0.008","91.124","0.006","105.433","0.013","1700.2","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Br N O2 -","- C21 H16 Br N O2 -","- C84 H64 Br4 N4 O8 -","4","2","","Goldberg, Frederick W.; Magnus, Philip; Turnbull, Rachel","A mild thermal and acid-catalyzed rearrangement of O-aryl ethers into ortho-hydroxy arenes.","Organic letters","2005","7","20","4531","4534","10.1021/ol051943+","","","0.71073","MoKα","","0.2754","0.1035","","","0.128","0.1608","","","","","","1.241","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517083","7.841","0.0002","13.755","0.0005","17.44","0.0009","90","","90","","90","","1880.96","0.13","298","","","","","","","","","","synthetic","4","P c 21 b","P -2bc -2c","29","","(4aS,8S,8aS)-4,7,8a-trimethyl-8-[(p-methylphenylsulfonyl)methyl]- 1,2,4a,5,8,8a-hexahydronaphthalene","","- C21 H28 O2 S -","- C21 H28 O2 S -","- C84 H112 O8 S4 -","4","1","","Imagawa, Hiroshi; Iyenaga, Tomoaki; Nishizawa, Mugio","Mercuric triflate-catalyzed tandem cyclization leading to polycarbocycles.","Organic letters","2005","7","3","451","453","10.1021/ol047472t","","","0.71073","MoKα","","0.0462","0.0436","","","0.1228","0.1316","","","","","","1.193","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517084","7.286","0.0004","10.506","0.0007","10.585","0.0009","107.314","0.003","99.739","0.003","102.947","0.003","729.25","0.09","298","","","","","","","","","","synthetic","3","P -1","-P 1","2","","(6aS,10aS)-1,3-dimethoxy-7,10a-dimethyl- 6a,9,10,10a-tetrahydro-6H-benzo[c]chromene","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","","Imagawa, Hiroshi; Iyenaga, Tomoaki; Nishizawa, Mugio","Mercuric triflate-catalyzed tandem cyclization leading to polycarbocycles.","Organic letters","2005","7","3","451","453","10.1021/ol047472t","","","0.71073","MoKα","","0.0637","0.0516","","","0.149","0.1702","","","","","","1.092","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517085","9.1575","0.0014","13.84","0.002","14.879","0.002","90","","90","","90","","1885.8","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Nair, Vijay; Biju, A. T.; Abhilash, K. G.; Menon, Rajeev S.; Suresh, Eringathodi","Reaction of diaryl-1,2-diones with triphenylphosphine and diethyl azodicarboxylate leading to N,N-dicarboethoxy monohydrazones via a novel rearrangement.","Organic letters","2005","7","11","2121","2123","10.1021/ol050403+","","","0.71073","MoKα","","0.0473","0.0421","","","0.1099","0.1142","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517086","19.4695","0.001","19.4695","0.001","26.58","0.002","90","","90","","90","","10075.5","1.1","170","2","170","2","","","","","","","","3","P 41 2 2","P 4w 2c","91","2","1,10-dihydroxybicyclo[8.8.8] hexacosane","","- C26 H50 O2 -","- C26 H50 O2 -","- C416 H800 O32 -","16","2","","Jones, Ian W.; Monguchi, Yasunari; Dawson, Alice; Carducci, Michael D.; Mash, Eugene A.","Synthesis of 1,10-dimethylbicyclo[8.8.8]hexacosane and 1,10-dihydroxybicyclo[8.8.8]hexacosane.","Organic letters","2005","7","14","2841","2843","10.1021/ol050714k","","","0.71073","MoKα","","0.147","0.0945","","","0.2439","0.3052","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517087","10.639","0.003","27.103","0.008","10.096","0.003","90","","116.417","0.005","90","","2607.2","1.3","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1","1,10 dimethyl bicyclo[8.8.8]hexacosane","","- C28 H54 -","- C28 H54 -","- C112 H216 -","4","1","","Jones, Ian W.; Monguchi, Yasunari; Dawson, Alice; Carducci, Michael D.; Mash, Eugene A.","Synthesis of 1,10-dimethylbicyclo[8.8.8]hexacosane and 1,10-dihydroxybicyclo[8.8.8]hexacosane.","Organic letters","2005","7","14","2841","2843","10.1021/ol050714k","","","0.71073","MoKα","","0.1754","0.0688","","","0.1433","0.1856","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517088","8.7677","0.0014","4.8934","0.0008","25.862","0.004","90","","93.889","0.003","90","","1107","0.3","100","2","100","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C20 Cl10 N6 -","- C20 Cl10 N6 -","- C40 Cl20 N12 -","2","0.5","","Zheng, Shijun; Thompson, Joe D.; Tontcheva, Ana; Khan, Saeed I.; Rubin, Yves","Perchloro-2,5,8-triazaphenalenyl radical.","Organic letters","2005","7","9","1861","1863","10.1021/ol050570+","","","0.71073","MoKα","","0.0605","0.0419","","","0.0987","0.1039","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517089","6.9473","0.0016","6.2385","0.0015","15.819","0.004","100.097","0.004","97.56","0.004","104.412","0.004","642.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10.5 H2 Cl5 N3 O2 -","- C10.5 H2 Cl5 N3 O2 -","- C21 H4 Cl10 N6 O4 -","2","1","","Zheng, Shijun; Thompson, Joe D.; Tontcheva, Ana; Khan, Saeed I.; Rubin, Yves","Perchloro-2,5,8-triazaphenalenyl radical.","Organic letters","2005","7","9","1861","1863","10.1021/ol050570+","","","0.71073","MoKα","","0.0886","0.0592","","","0.1408","0.1561","","","","","","0.952","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519747","16.414","0.002","17.763","0.005","39.364","0.009","89.111","0.018","78.093","0.014","78.667","0.014","11007","4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C157 H115 F15 Gd4 N72 O39 S6 -","- C157 H115 F15 Gd4 N72 O39 S6 -","- C314 H230 F30 Gd8 N144 O78 S12 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C157H115F15Gd4N72O39S6","Crystal Structure Report Archive","2005","","","1062","","","","","0.71073","MoKα","","0.2095","0.1232","","","0.3229","0.3694","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519748","22.06","0.003","22.06","0.003","19.537","0.003","90","","90","","90","","9508","2","120","2","120","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C58 H50 Cl4 Mn3 N26 O16 -","- C58 H50 Cl4 Mn3 N26 O16 -","- C232 H200 Cl16 Mn12 N104 O64 -","4","0.25","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C58 H50 Cl4 Mn3 N26 O16","Crystal Structure Report Archive","2005","","","1064","","","","","0.71073","MoKα","","0.1472","0.0871","","","0.2465","0.2819","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519749","27.706","0.005","12.9009","0.0015","41.68","0.004","90","","99.305","0.013","90","","14702","4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H78 Cl10 Mn5 N46 O40 -","- C86 H78 Cl10 Mn5 N46 O40 -","- C344 H312 Cl40 Mn20 N184 O160 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C86H78Mn5N46, 10(ClO4)","Crystal Structure Report Archive","2005","","","1069","","","","","0.71073","MoKα","","0.2093","0.135","","","0.3572","0.3912","","","","","","1.204","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519750","7.747","0.009","15.519","0.018","25.745","0.008","90","","90","","90","","3095","5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 N2 Ru -","- C16 H24 N2 Ru -","- C128 H192 N16 Ru8 -","8","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.","C16H24N2Ru","Crystal Structure Report Archive","2005","","","1103","","","","","0.71073","MoKα","","0.2192","0.1089","","","0.1905","0.2333","","","","","","1.114","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519751","35.086","0.007","14.184","0.003","26.639","0.005","90","","119.17","0.03","90","","11576","5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H216 Cl7 P8 Ru3 -","- C96 H216 Cl7 P8 Ru3 -","- C384 H864 Cl28 P32 Ru12 -","4","0.5","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.","C96 H216 Cl7 P8 Ru3","Crystal Structure Report Archive","2005","","","1104","","","","","0.71073","MoKα","","0.0877","0.0494","","","0.1187","0.1385","","","","","","1.034","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519752","14.7387","0.0012","10.7713","0.0009","23.365","0.002","90","","90","","90","","3709.3","0.5","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H12 Br F6 Fe N -","- C21 H12 Br F6 Fe N -","- C168 H96 Br8 F48 Fe8 N8 -","8","2","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.","C21H12BrF6FeN","Crystal Structure Report Archive","2005","","","1105","","","","","0.71073","MoKα","","0.0745","0.0523","","","0.1296","0.1409","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519753","10.6819","0.0002","28.4913","0.0006","15.1257","0.0003","90","","106.986","0.001","90","","4402.56","0.15","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H39 Cl5 Fe Ni P3 -","- C47 H38 Cl5 Fe Ni P3 -","- C188 H152 Cl20 Fe4 Ni4 P12 -","4","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C46H38Cl2FeNiP3, CHCl3","Crystal Structure Report Archive","2005","","","1106","","","","","0.71073","MoKα","","0.0707","0.0505","","","0.1077","0.1153","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519754","12.608","0.005","12.1123","0.0012","19.7719","0.0018","90","","95.771","0.012","90","","3004.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Fe N O -","- C19 H15 Fe N O -","- C152 H120 Fe8 N8 O8 -","8","2","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C19H15FeNO","Crystal Structure Report Archive","2005","","","1202","","","","","0.71069","MoKα","","0.1104","0.0477","","","0.0852","0.0923","","","","","","0.694","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524368","9.419","","5.445","","7.214","","90","","115.71","","90","","333.353","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","La2.67 (Si O4)2","","- La6.348 O8 Si2 -","- La6.348 O8 Si2 -","- La12.696 O16 Si4 -","2","0.25","","Fleet, M.; Liu, X","High-pressure rare earth silicates: lanthanum silicate with barium phosphate structure, holmium silicate apatite, and lutetium disilicate type X","Journal of Solid State Chemistry","2005","178","","3275","3283","","","","","","","","","","","","","","","","","","","","","","has coordinates","145116","2020-10-21","18:00:00",""
"1528319","18.2343","","18.2343","","7.6371","","90","","90","","120","","2199.06","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na4 ((Si0.77 Al0.23)18 O36) (H2 O)15","","- Al4.14 Na3.95 O48.62 Si13.86 -","- Al4.14 Na3.95 O48.62 Si13.86 -","- Al8.28 Na7.9 O97.24 Si27.72 -","2","0.0833333","","Arletti, R.; Vezzalini, G.; Galli, E.; Wise, W.S.","Mazzinite-Na, a new zeolite from Boron, California: Its description and crystal structure","American Mineralogist","2005","90","","1186","1191","","","","","","","","","","","","","","","","","","","","","","has coordinates","150350","2020-10-21","18:00:00",""
"1528386","9.359","","9.0097","","14.1308","","90","","95.229","","90","","1186.58","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","((C H3)2 N H2)3 (Sb2 Cl9)","","- C6 H24 Cl9 N3 Sb2 -","- C6 H24 Cl9 N3 Sb2 -","- C12 H48 Cl18 N6 Sb4 -","2","1","","Bujak, M.; Angel, R.J.","Single crystal x-ray diffraction studies on [(C H3)(n) N H(4-n)]3 [Sb2 Cl9] (n = 2,3) chloroantimonates(III) in their low-temperature ferroelectric phases - structures and phase transition","Journal of Solid State Chemistry","2005","178","","2237","2246","","","","","","","","","","","","","","","","","","","","","","has coordinates","150544","2020-10-21","18:00:00",""
"1528387","9.8652","","9.1129","","15.0964","","90","","89.988","","90","","1357.18","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","((C H3)3 N H)3 (Sb2 Cl9)","","- C9 H30 Cl9 N3 Sb2 -","- C9 H30 Cl9 N3 Sb2 -","- C18 H60 Cl18 N6 Sb4 -","2","1","","Bujak, M.; Angel, R.J.","Single crystal x-ray diffraction studies on [(C H3)(n) N H(4-n)]3 [Sb2 Cl9] (n = 2,3) chloroantimonates(III) in their low-temperature ferroelectric phases - structures and phase transition","Journal of Solid State Chemistry","2005","178","","2237","2246","","","","","","","","","","","","","","","","","","","","","","has coordinates","150545","2020-10-21","18:00:00",""
"1528422","3.815562","","3.815562","","3.815562","","90","","90","","90","","55.549","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr Mn0.91 Ga0.09 O2.93","","- Ga0.09 Mn0.91 O2.93 Sr -","- Ga0.08941 Mn0.91059 O2.9319 Sr -","- Ga0.08941 Mn0.91059 O2.9319 Sr -","1","0.0208333","","Dabrowski, B.; Mais, J.; Kolesnik, S.; Caspi, E.N.; Chmaissem, O.; Jorgensen, J.D.","Synthesis, structure, and magnetic properties of Sr Mn(1-x) Ga(x) O(3-delta) (x = 0-0.5) perovskites","Journal of Solid State Chemistry","2005","178","","3453","3460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528423","3.834005","","3.834005","","3.834005","","90","","90","","90","","56.358","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr Mn0.74 Ga0.26 O2.83","","- Ga0.26 Mn0.74 O2.83 Sr -","- Ga0.2645 Mn0.7355 O2.829 Sr -","- Ga0.2645 Mn0.7355 O2.829 Sr -","1","0.0208333","","Dabrowski, B.; Kolesnik, S.; Caspi, E.N.; Jorgensen, J.D.; Chmaissem, O.; Mais, J.","Synthesis, structure, and magnetic properties of Sr Mn(1-x) Ga(x) O(3-delta) (x = 0-0.5) perovskites","Journal of Solid State Chemistry","2005","178","","3453","3460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528424","3.844428","","3.844428","","3.844428","","90","","90","","90","","56.819","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr Mn0.67 Ga0.33 O2.82","","- Ga0.33 Mn0.67 O2.82 Sr -","- Ga0.32587 Mn0.67413 O2.81619 Sr -","- Ga0.32587 Mn0.67413 O2.81619 Sr -","1","0.0208333","","Dabrowski, B.; Caspi, E.N.; Kolesnik, S.; Mais, J.; Jorgensen, J.D.; Chmaissem, O.","Synthesis, structure, and magnetic properties of Sr Mn(1-x) Ga(x) O(3-delta) (x = 0-0.5) perovskites","Journal of Solid State Chemistry","2005","178","","3453","3460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528425","3.857613","","3.857613","","3.857613","","90","","90","","90","","57.406","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr Mn0.54 Ga0.46 O2.65","","- Ga0.46 Mn0.54 O2.65 Sr -","- Ga0.45869 Mn0.54131 O2.6511 Sr -","- Ga0.45869 Mn0.54131 O2.6511 Sr -","1","0.0208333","","Dabrowski, B.; Jorgensen, J.D.; Kolesnik, S.; Caspi, E.N.; Chmaissem, O.; Mais, J.","Synthesis, structure, and magnetic properties of Sr Mn(1-x) Ga(x) O(3-delta) (x = 0-0.5) perovskites","Journal of Solid State Chemistry","2005","178","","3453","3460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528438","11.164","","11.164","","10.638","","90","","90","","90","","1325.87","","","","","","","","","","","","","5","P 42 c m","P 4c -2c","101","","((C H3)4 N) (Cu2 (N C S)3)","","- C7 H12 Cu2 N4 S3 -","- C7 H12 Cu2 N4 S3 -","- C28 H48 Cu8 N16 S12 -","4","0.5","","Dilshad, R.; Klepp, K.O.; Boller, H.","[Me4 N] [Cu2 (N C S)3] a compound having a framework structure with large channels","Solid State Sciences","2005","7","","1230","1235","","","","","","","","","","","","","","","","","","","","","","has coordinates","150668","2020-10-21","18:00:00",""
"1528483","5.4398","","5.4398","","19.5","","90","","90","","120","","499.725","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","La2.45 (Si O4)2","","- La2.45 O8 Si2 -","- La2.454 O7.9998 Si2 -","- La7.362 O23.9994 Si6 -","3","0.0833333","","Fleet, M.; Liu, X","High-pressure rare earth silicates: lanthanum silicate with barium phosphate structure, holmium silicate apatite, and lutetium disilicate type X","Journal of Solid State Chemistry","2005","178","","3275","3283","","","","","","","","","","","","","","","","","","","","","","has coordinates","150776","2020-10-21","18:00:00",""
"1528484","9.3221","","9.3221","","6.7347","","90","","90","","120","","506.846","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ho8.67 (Si O4)6 (O H)2","","- H2 Ho8.67 O26 Si6 -","- H2 Ho8.662 O26 Si6 -","- H2 Ho8.662 O26 Si6 -","1","0.0833333","","Fleet, M.; Liu, X","High-pressure rare earth silicates: lanthanum silicate with barium phosphate structure, holmium silicate apatite, and lutetium disilicate type X","Journal of Solid State Chemistry","2005","178","","3275","3283","","","","","","","","","","","","","","","","","","","","","","has coordinates","150777","2020-10-21","18:00:00",""
"1528485","6.562","","6.562","","11.9535","","90","","90","","90","","514.716","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Lu2 (Si2 O7)","","- Lu2 O7 Si2 -","- Lu2 O7 Si2 -","- Lu8 O28 Si8 -","4","0.5","","Fleet, M.; Liu, X","High-pressure rare earth silicates: lanthanum silicate with barium phosphate structure, holmium silicate apatite, and lutetium disilicate type X","Journal of Solid State Chemistry","2005","178","","3275","3283","","","","","","","","","","","","","","","","","","","","","","has coordinates","150778","2020-10-21","18:00:00",""
"1528504","5.1879","","5.1879","","8.6385","","90","","90","","120","","201.35","","","","","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","(Ba0.6 Sr0.4) Al2 O4","","- Al2 Ba0.6 O4 Sr0.4 -","- Al2 Ba0.6 O3.9999 Sr0.4 -","- Al4 Ba1.2 O7.9998 Sr0.8 -","2","0.166667","","Fukuda, K.; Orito, T.; Iwata, T.","Structural disorder in Ba0.6 Sr0.4 Al2 O4","Journal of Solid State Chemistry","2005","178","","3662","3666","","","","","","","","","","","","","","","","","","","","","","has coordinates","150858","2020-10-21","18:00:00",""
"1528524","4.1472","","15.8467","","8.0608","","90","","96.25","","90","","526.603","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rb H C4 O4","","- C4 H O4 Rb -","- C4 H O4 Rb -","- C16 H4 O16 Rb4 -","4","1","","Georgopoulos, S.L.; de Oliveira, L.F.C.; Diniz, R.; Rodrigues, B.L.","Crystal structure and Raman spectra of rubidium hydrogen squarate","Journal of Molecular Structure","2005","741","","61","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528528","21.9605","","22.4724","","28.9946","","97.59","","94.326","","90.813","","14139","","","","","","","","","","","","","5","P -1","-P 1","2","","Na16 K10 (H55 W49 Fe27 P8 O248) (H2 O)90","","- Fe27 K3 O248 P8 W49 -","- Fe27 K3 O248 P8 W49 -","- Fe54 K6 O496 P16 W98 -","2","1","","Godin, B.; Chen Ya-Guang; Vaissermann, J.; Gouzerh, P.; Verdaguer, M.; Ruhlmann, L.","Coordination chemistry of the hexavacant tungstophosphate (H2 P2 W12 O48)12- with Fe(III) ions: towards structures of increasing size and complexity","Angew. Chem. Int. ed.","2005","44","","3072","3075","","","","","","","","","","","","","","","","","","","","","","has coordinates","150915","2020-10-21","18:00:00",""
"1528595","5.4893","","5.5345","","7.7871","","90","","90.05","","90","","236.576","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ca Fe0.667 W0.333 O3","","- Ca Fe0.667 O3 W0.333 -","- Ca0.99 Fe0.665 O2.98 W0.335 -","- Ca3.96 Fe2.66 O11.92 W1.34 -","4","1","","Ivanov, S.A.; Rundloef, H.; Tellgren, R.; Eriksson, S.G.","Structural and magnetic properties of perovskite Ca3 Fe2 W O9","Journal of Solid State Chemistry","2005","178","","3605","3614","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528614","7.7422","","19.9168","","10.3457","","90","","107.846","","90","","1518.55","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K3 (Fe (C2 O4)3) (H2 O)3","","- C6 H6 Fe K3 O15 -","- C6 H6 Fe K3 O15 -","- C24 H24 Fe4 K12 O60 -","4","1","","Junk, P.C.","Supramolecular interactions in the x-ray crystal structure of potassium tris(oxalato)ferrate(III) trihydrate","Journal of Coordination Chemistry","2005","58","","355","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528669","6.1939","","69.549","","3.8895","","90","","90","","90","","1675.52","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Ta38.864 Li5.68 O100","","- Li5.68 O100 Ta38.864 -","- O101 Ta37.864 -","- O101 Ta37.864 -","1","0.25","","Grey, I.E.; Mumme, W.G.; Roth, R.S.","The crystal chemistry of L-Ta2 O5 and related structures","Journal of Solid State Chemistry","2005","178","","3308","3314","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528687","3.9288","","3.9288","","20.429","","90","","90","","90","","315.331","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr3 Fe Mo O7","","- Fe Mo O7 Sr3 -","- Fe0.976 Mo0.976 O6.904 Sr3 -","- Fe1.952 Mo1.952 O13.808 Sr6 -","2","0.0625","","Li, Z.; Liao, F.; Li, G.; You, L.; Sun, J.; Lin, J.; Wang, Y.; Loong, C.-K.","Synthesis and characterization of a Ruddlesden-Popper compound: Sr2 Fe Mo O7","Journal of Solid State Chemistry","2005","178","","3315","3322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528696","5.81249","","5.81249","","7.14368","","90","","90","","120","","209.015","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba3 Mn Nb2 O9 -","- Ba3 Mn Nb2 O9 -","- Ba3 Mn Nb2 O9 -","1","0.0833333","","Liu, Y.; Withers, R.L.; Whichello, A.P.; Noren, L.; Ting, V.; Fitz Gerald, J.D.; Brink, F.","A combined diffraction and dielectric properties investigation of Ba3 Mn Nb2 O9 complex perovskites","Journal of Solid State Chemistry","2005","178","","3389","3395","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528709","6.108","","6.108","","15.554","","90","","90","","90","","580.283","","","","","","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","","La2 Pd Ga12","","- Ga12 La2 Pd -","- Ga12 La2 Pd -","- Ga24 La4 Pd2 -","2","0.125","","Macaluso, R.T.; Fisk, Z.; Millican, J.N.; Nakatsuji, S.; Carter, B.; Lee, H.-O.; Moreno, N.O.; Chan, J.Y.","A comparison of the structure and localized magnetism in Ce3 Pd Ga12 with heavy fermion Ce Pd Ga6","Journal of Solid State Chemistry","2005","178","","3547","3553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528710","6.104","","6.104","","15.549","","90","","90","","90","","579.337","","","","","","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","","Ce2 Pd Ga12","","- Ce2 Ga12 Pd -","- Ce2 Ga12 Pd -","- Ce4 Ga24 Pd2 -","2","0.125","","Macaluso, R.T.; Millican, J.N.; Nakatsuji, S.; Lee, H.-O.; Fisk, Z.; Carter, B.; Chan, J.Y.; Moreno, N.O.","A comparison of the structure and localized magnetism in Ce3 Pd Ga12 with heavy fermion Ce Pd Ga6","Journal of Solid State Chemistry","2005","178","","3547","3553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528757","8.1452","","8.1452","","8.1452","","90","","90","","90","","540.387","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ba4 Ca0.92 Cu3 O8.68 -","- Ba4 Ca0.92 Cu3 O8.7 -","- Ba8 Ca1.84 Cu6 O17.4 -","2","0.0208333","","Nguyen, X.H.; Soubeyroux, J.L.; Galez, P.; Bertrand, C.; Pisch, A.; Beauquis, S.; Bouree-Vigneron, F.","High resolution and in situ neutron powder diffraction study of the crystal structure and the stability of Ba4 Ca Cu3 O(8+delta)","Journal of Solid State Chemistry","2005","178","","3207","3217","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528758","8.1976","","8.1976","","8.0709","","90","","90","","90","","542.37","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba4 Ca Cu2.93 O7.19 -","- Ba4 Ca Cu2.93 O7.202 -","- Ba8 Ca2 Cu5.86 O14.404 -","2","0.125","","Nguyen, X.H.; Bouree-Vigneron, F.; Galez, P.; Pisch, A.; Soubeyroux, J.L.; Beauquis, S.; Bertrand, C.","High resolution and in situ neutron powder diffraction study of the crystal structure and the stability of Ba4 Ca Cu3 O(8+delta)","Journal of Solid State Chemistry","2005","178","","3207","3217","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528794","6.5681","","6.5681","","6.5681","","90","","90","","90","","283.347","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li0.94 Ag2 In1.06","","- Ag2 In1.06 Li0.94 -","- Ag2 In1.06 Li0.94 -","- Ag8 In4.24 Li3.76 -","4","0.0208333","","Pavlyuk, V.V.; Dmytriv, G.S.; Pauly, H.; Chumak, I.V.; Ehrenberg, H.","The crystal structure of the Li Ag2 In compound","Journal of Solid State Chemistry","2005","178","","3303","3307","","","","","","","","","","","","","","","","","","","","","","has coordinates","151481","2020-10-21","18:00:00",""
"1528834","8.6475","","8.6475","","8.507","","90","","90","","120","","550.92","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","(C N3 H6) (Ta F6)","","- C H6 F6 N3 Ta -","- C F6 N3 Ta -","- C3 F18 N9 Ta3 -","3","0.0833333","","Saada, M.A.; Hemon-Ribaud, A.; Leblanc, M.; Maisonneuve, V.","Anion and cation disorder in [C N3 H6].(Ta F6)","Solid State Sciences","2005","7","","1070","1073","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528847","3.551","","3.551","","3.551","","90","","90","","90","","44.777","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ca Ni D3","","- Ca D3 Ni -","- Ca D3 Ni -","- Ca D3 Ni -","1","0.0208333","","Sato, T.; Noreus, D.; Takeshita, H.; Haeussermann, U.","Hydrides with the perovskite structure: general bonding and stability considerations and the new representative Ca Ni H3","Journal of Solid State Chemistry","2005","178","","3381","3388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528884","10.127","","10.127","","10.127","","90","","90","","90","","1038.59","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Pb3 V (P O4)3","","- O10.86 P3 Pb3 V -","- O10.86 P3 Pb3 V -","- O43.44 P12 Pb12 V4 -","4","0.0833333","","Shpanchenko, R.V.; Panin, R.V.; Hadermann, J.; Bougerol, C.; Antipov, E.V.; Takayama-Muromachi, E.","Synthesis and structure investigation of the Pb3 V (P O4)3 eulytite","Journal of Solid State Chemistry","2005","178","","3715","3721","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528905","15.161","","8.756","","17.428","","90","","96.64","","90","","2298.04","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(C (N H2)3)3 (Sb2 Cl9)","","- C3 H18 Cl9 N9 Sb2 -","- C3 H18 Cl9 N9 Sb2 -","- C12 H72 Cl36 N36 Sb8 -","4","0.5","","Szklarz, P.; Zaleski, J.; Falinska, K.; Jakubas, R.; Medycki, W.; Bator, G.","The structure, phase transition and molecular dynamics of [C (N H2)3]3 [Sb2 Br9]","Journal of Physics: Condensed Matter","2005","17","","2509","2528","","","","","","","","","","","","","","","","","","","","","","has coordinates","151721","2020-10-21","18:00:00",""
"1528906","15.725","","9.04","","18.681","","90","","96.68","","90","","2637.55","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(C (N H2)3)3 (Sb2 Br9)","","- C3 H18 Br9 N9 Sb2 -","- C3 H18 Br9 N9 Sb2 -","- C12 H72 Br36 N36 Sb8 -","4","0.5","","Szklarz, P.; Jakubas, R.; Zaleski, J.; Bator, G.; Falinska, K.; Medycki, W.","The structure, phase transition and molecular dynamics of [C (N H2)3]3 [Sb2 Br9]","Journal of Physics: Condensed Matter","2005","17","","2509","2528","","","","","","","","","","","","","","","","","","","","","","has coordinates","151722","2020-10-21","18:00:00",""
"1528910","2.8056","","2.8056","","14.1079","","90","","90","","120","","96.171","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Li Al0.32 Co0.68 O2","","- Al0.32 Co0.68 Li O2 -","- Al0.318 Co0.682 Li O2 -","- Al0.954 Co2.046 Li3 O6 -","3","0.0833333","","Takahashi, Y.; Akimoto, J.; Kijima, N.","Single crystal synthesis and structure refinement of the Li Co O2 - Li Al O2 solid solution compounds: Li Al0.32 Co0.68 O2 and Li Al0.71 Co0.29 O2","Journal of Solid State Chemistry","2005","178","","3667","3671","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528911","2.8023","","2.8023","","14.184","","90","","90","","120","","96.463","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Li Al0.71 Co0.29 O2","","- Al0.71 Co0.29 Li O2 -","- Al0.711 Co0.289 Li O2 -","- Al2.133 Co0.867 Li3 O6 -","3","0.0833333","","Takahashi, Y.; Kijima, N.; Akimoto, J.","Single crystal synthesis and structure refinement of the Li Co O2 - Li Al O2 solid solution compounds: Li Al0.32 Co0.68 O2 and Li Al0.71 Co0.29 O2","Journal of Solid State Chemistry","2005","178","","3667","3671","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528932","17.6031","","12.1052","","8.2399","","90","","103.903","","90","","1704.39","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pr2 Co6 Al18.94","","- Al18.94 Co6 Pr2 -","- Al19 Co6 Pr2 -","- Al76 Co24 Pr8 -","4","0.5","","Tougait, O.; Kaczorowski, D.; Noel, H.","Pr Co2 Al8 and Pr2 Co6 Al19: Crystal structure and electronic properties","Journal of Solid State Chemistry","2005","178","","3639","3647","","","","","","","","","","","","","","","","","","","","","","has coordinates","151784","2020-10-21","18:00:00",""
"1528945","18.6838","","18.6838","","13.3829","","90","","90","","90","","4671.76","","","","","","","","","","","","","6","I -4","I -4","82","","(Mn12 O12 ((C F2 Cl) C O O)16 (H2 O)4) (H2 O)4","","- C32 H16 Cl16 F32 Mn12 O52 -","- C32 H16 Cl16 F32 Mn12 O52 -","- C64 H32 Cl32 F64 Mn24 O104 -","2","0.25","","Tsai Huilieu; Shiao Hongann; Lee Genehsiang; Wur Chingshuei; Jwo Tunyih; Yang Cheni","Single-molecule magnets: [Mn12 O12 (O2 C C F2 Cl)16 (H2 O)4](0/-)","Polyhedron","2005","24","","2205","2214","","","","","","","","","","","","","","","","","","","","","","has coordinates","151797","2020-10-21","18:00:00",""
"1528964","3.3684","","4.4762","","12.26","","90","","90","","90","","184.852","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Sc3 Rh C4","","- C4 Rh Sc3 -","- C4 Rh Sc3 -","- C8 Rh2 Sc6 -","2","0.125","","Vogt, C.; Hoffmann, R.D.; Poettgen, R.","The superstructure of Sc3 Rh C4 and Sc3 Ir C4","Solid State Sciences","2005","7","","1003","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528965","3.3966","","4.4525","","12.2424","","90","","90","","90","","185.146","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Sc3 Ir C4","","- C4 Ir Sc3 -","- C4 Ir Sc3 -","- C8 Ir2 Sc6 -","2","0.125","","Vogt, C.; Hoffmann, R.D.; Poettgen, R.","The superstructure of Sc3 Rh C4 and Sc3 Ir C4","Solid State Sciences","2005","7","","1003","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529001","28.666","","7.225","","7.776","","90","","105.41","","90","","1552.6","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N H4)2 Mn3 (H2 O)4 (Mo (C N)7)2 (H2 O)5","","- C8 Mn3 Mo2 N10 O9 -","- C8 Mn3 Mo2 N10 O9 -","- C32 Mn12 Mo8 N40 O36 -","4","0.5","","Willemin, S.; Le Goff, X.F.; Larionova, J.; Bolvin, H.; Donnadieu, B.; Ruiz, E.; Guerin, C.; Henner, B.","Cation templation of Mn(2+)/[Mo (C N)7](4-) system: formation of pseudo-dimorphs (N H4)2 Mn3 (H2 O)4 [Mo (C N)7]2 . nH2 O (n = 4,5)","Polyhedron","2005","24","","1033","1046","","","","","","","","","","","","","","","","","","","","","","has coordinates","151896","2020-10-21","18:00:00",""
"1529012","7.323","","8.004","","6.95","","90","","108.809","","90","","385.609","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb2 U2 O7","","- O7 Rb2 U2 -","- O7 Rb2 U2 -","- O14 Rb4 U4 -","2","0.5","","Yagoubi, S.; Dion, C.; Obbade, S.; Abraham, F.","Crystal structures of Rb2 U2 O7 and Rb8 U9 O31, a new layered rubidium uranate","Journal of Solid State Chemistry","2005","178","","3218","3232","","","","","","","","","","","","","","","","","","","","","","has coordinates","151931","2020-10-21","18:00:00",""
"1529013","6.9925","","14.2884","","34.062","","90","","90","","90","","3403.19","","","","","","","","","","","","","3","P b n a","-P 2ac 2b","60","","Rb8 U9 O31","","- O31 Rb8 U9 -","- O31 Rb8 U9 -","- O124 Rb32 U36 -","4","0.5","","Yagoubi, S.; Obbade, S.; Dion, C.; Abraham, F.","Crystal structures of Rb2 U2 O7 and Rb8 U9 O31, a new layered rubidium uranate","Journal of Solid State Chemistry","2005","178","","3218","3232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529027","10.43638","","15.01832","","8.85531","","90","","105.739","","90","","1335.92","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Si6 O12 (C3 D6)0.45","","- C1.35 D2.7 O12 Si6 -","- C1.35 D2.7 O12 Si6 -","- C5.4 D10.8 O48 Si24 -","4","1","","Yang, X.; Toby, B.H.; Camblor, M.A.; Lee, Y.; Olson, D.H.","Propene adsorption sites in zeolite ITQ-12: a combined synchrotron x-ray and neutron diffraction study","J. Phys. Chem. B","2005","109","","7894","7899","","","","","","","","","","","","","","","","","","","","","","has coordinates","151947","2020-10-21","18:00:00",""
"1529028","18.668","","18.668","","7.953","","90","","90","","120","","2400.25","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","(In (O H) (C2 O4) (H2 O))3 (H2 O)","","- C6 H11 In3 O19 -","- C6 H11 In3 O19 -","- C36 H65.9999 In18 O114 -","6","0.333333","","Yang, S.; Li, G.; Tian, S.; Liao, F.; Lin, J.","An open-framework three-dimensional indium oxalate: [In (O H) (C2 O4) (H2 O)]3.H2 O","Journal of Solid State Chemistry","2005","178","","3703","3707","","","","","","","","","","","","","","","","","","","","","","has coordinates","151948","2020-10-21","18:00:00",""
"1529040","5.4698","","7.4157","","5.283","","90","","90","","90","","214.291","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tm0.5 Ca0.5 Mn O3","","- Ca0.5 Mn O3 Tm0.5 -","- Ca0.5 Mn O3 Tm0.5 -","- Ca2 Mn4 O12 Tm2 -","4","0.5","","Yoshii, K.; Abe, H.; Ikeda, N.","Structure, magnetism and transport of the perovskite manganites Ln0.5 Ca0.5 Mn O3 (Ln = Ho, Er, Tm, Yb, and Lu)","Journal of Solid State Chemistry","2005","178","","3615","3623","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529057","8.3848","","8.3848","","8.3848","","90","","90","","90","","589.492","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Tb Ir O6","","- Ba2 Ir O6 Tb -","- Ba2 Ir O6 Tb -","- Ba8 Ir4 O24 Tb4 -","4","0.0208333","","Zhou, Q.; Kennedy, B.J.","Independent structural and valence state transitions in the cation-ordered double perovskites Ba(2-x) Sr(x) Tb Ir O4","Journal of Solid State Chemistry","2005","178","","3589","3594","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529412","13.491","0.001","11.0459","0.0007","16.299","0.001","90","","111.392","0.007","90","","2261.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl4 Cu F N3 O4 -","- C17 H22 Cl4 Cu F N3 O4 -","- C68 H88 Cl16 Cu4 F4 N12 O16 -","4","1","","A.D. Vasilev; N.N. Golovnev; M.S. Molokeev; T.D. Churilov","Preparation and crystal structure of hydrated crystalline complex of ciprofloxacin and copper tetrachloride","Journal of Structural Chemistry","2005","46","2","363","370","10.1007/s10947-006-0055-8","","","1.54056","","","0.0469","0.0349","","","0.0918","0.0973","","","","","","1.012","","","","has coordinates,has Fobs","288183","2023-12-08","14:40:33",""
"1529413","6.541","0.002","19.157","0.004","10.726","0.002","90","","96.24","0.02","90","","1336.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H2 N7 O2 -","- C2 H7 N7 O2 -","- C16 H56 N56 O16 -","8","2","","A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; A.M. Sirotinin; R.S. Stepanov","Crystal and molecular structure of nitraminotetrazoles and nitramino-1,2,4-triazoles. V. 5-nitraminotetrazole methylammonium salt","Journal of Structural Chemistry","2005","46","3","517","522","10.1007/s10947-006-0132-z","","","1.54178","CuKα","","0.0442","0.04","","","0.0997","0.1016","","","","","","1.019","","","","has coordinates,has Fobs","188564","2020-10-21","18:00:00",""
"1529414","7.8691","0.0005","25.946","0.002","8.2833","0.0003","90","","95.394","0.004","90","","1683.73","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl N6 Ni0.5 O4 S3 -","- C9 H18 Cl N6 Ni0.5 O4 S3 -","- C36 H72 Cl4 N24 Ni2 O16 S12 -","4","1","","N.N.Golovnev; A.D. Vasiliev; M.S. Molokeev; I.I. Golovneva","Crystal structure of perchlorate hexakis-(ethylenethiourea) nickel (II)","Izv.Vyssh.Uchebn.Zaved.,Khim.Khim.Tek.(Russ.)(Bull.Colleg.,Chem.,Chem.Technol.)","2005","48","8","134","136","","","","1.54059","","","0.0766","0.0699","","","0.2032","0.2084","","","","","","1.479","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1534490","10.6985","","10.6985","","14.2264","","90","","90","","120","","1410.17","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba4 Mo12 S18 -","- Ba4 Mo12 S18 -","- Ba8 Mo24 S36 -","2","0.0833333","","Salloum, D.; Gougeon, P.; Potel, M.; Gautier, R.","Ba4 Mo12 S18: A superconductor containing the dimeric unit (Mo6)2 S24, the missing link between the Mo6 S14 and Mo9 S17 units","Angew. Chem. Int. ed.","2005","44","","1363","1365","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534520","9.8757","","12.8854","","11.9192","","90","","90","","90","","1516.75","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Rb Al3 (P3 O10)2","","- Al3 O20 P6 Rb -","- Al3 O20 P6 Rb -","- Al12 O80 P24 Rb4 -","4","0.5","","Lesage, J.; Guesdon, A.; Raveau, B.","Two aluminotriphosphates with closely related intersecting tunnel structures involving tetrahedral ""AlP"" chains and layers : A Al3 (P3 O10)2, A = Rb, Cs","Journal of Solid State Chemistry","2005","178","","1212","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534524","10.0048","","13.3008","","12.1698","","90","","90","","90","","1619.46","","","","","","","","","","","","","4","C 2 c b","C -2ac 2","41","","Cs Al3 (P3 O10)2","","- Al3 Cs O20 P6 -","- Al3 Cs O20 P6 -","- Al12 Cs4 O80 P24 -","4","","","Lesage, J.; Raveau, B.; Guesdon, A.","Two aluminotriphosphates with closely related intersecting tunnel structures involving tetrahedral ""AlP"" chains and layers : A Al3 (P3 O10)2, A = Rb, Cs","Journal of Solid State Chemistry","2005","178","","1212","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534539","4.005","","4.005","","20.93","","90","","90","","90","","335.718","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Pd6.2 Sn Te2 -","- Pd6.206 Sn Te2 -","- Pd12.412 Sn2 Te4 -","2","0.0625","","Savilov, S.V.; Kuznetsov, A.N.; Getzschmann, J.; Popovkin, B.A.; Simon, P.; Khrustalev, V.N.; Ruck, M.; Doert, T.","Synthesis, crystal structure and electronic structure of modulated Pd(7-delta) Sn Te2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","293","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534553","16.0621","","12.5709","","22.632","","90","","95.087","","90","","4551.74","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ba6 Pr3 I19","","- Ba6 I19 Pr3 -","- Ba6 I19 Pr3 -","- Ba24 I76 Pr12 -","4","0.5","","Gerlitzki, N.; Meyer, G.; Mudring, A.V.","Ba6 Pr3 I19: Linear (Pr3 I16) trimers with two excess electrons in a three-centre - two-electron band","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","381","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","161367","2020-10-21","18:00:00",""
"1534562","9.62","","4.2299","","7.2224","","90","","98.002","","90","","291.03","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Eu2 Cl2 (N C N)","","- C Cl2 Eu2 N2 -","- C Cl2 Eu2 N2 -","- C2 Cl4 Eu4 N4 -","2","0.25","","Liao, W.; Dronskowski, R.","Carbodiimides with extended structures by an azide-cyanide route: synthesis and crystal structure of M2 Cl2 N C N (M= Eu and Sr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","496","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534564","9.6225","","4.2508","","7.2498","","90","","97.839","","90","","293.77","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Sr2 Cl2 N C N","","- C Cl2 N2 Sr2 -","- C Cl2 N2 Sr2 -","- C2 Cl4 N4 Sr4 -","2","0.25","","Liao, W.; Dronskowski, R.","Carbodiimides with extended structures by an azide-cyanide route: synthesis and crystal structure of M2 Cl2 N C N (M = Eu and Sr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","496","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534618","13.1176","","10.1703","","6.5042","","90","","90.114","","90","","867.723","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- N2 Pr4 Se3 -","- N2 Pr4 Se3 -","- N8 Pr16 Se12 -","4","0.5","","Lissner, F.; Schleid, T.","Pr4 N2 S3 und Pr4 N2 Se3: Zwei nicht-isotype Praseodymium(III)-Nitridchalkogenide","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","427","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534620","17.8857","","9.8604","","12.6649","","90","","134.546","","90","","1591.85","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pr4 N2 S3","","- N2 Pr4 S3 -","- N2 Pr4 S3 -","- N16 Pr32 S24 -","8","1","","Lissner, F.; Schleid, T.","Pr4 N2 S3 und Pr4 N2 Se3: Zwei nicht-isotype Praseodymium(III)-Nitridchalkogenide","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","427","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","161493","2020-10-21","18:00:00",""
"1534642","8.6857","","5.0521","","9.4954","","90","","90","","90","","416.668","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Al (O H)3","","- Al H3 O3 -","- Al O3 -","- Al8 O24 -","8","1","","Liu, H.; Tse, J.S.; Hu, J.; Liu, Z.; Wang, L.; Weidner, D.J.; Chen, J.; Meng, Y.; Mao, H.-K.; Haeusermann, D.","Structural Refinement of the High-Pressure Phase of Aluminium Trihydroxide: In-Situ High-Pressure Angle Dispersive Synchrotron X-ray Diffraction and Theoretical Studies","J. Phys. Chem. B","2005","109","","8857","8860","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534644","11.096","","6.5703","","8.3623","","90","","90","","90","","609.646","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Cl Cu H Na3 O5 P -","- Cl Cu H Na3 O5 P -","- Cl4 Cu4 H4 Na12 O20 P4 -","4","0.5","","Liu, W.; Li, M.-R.; Yang, X.-X.; Chen, H.-H.; Zhao, J.-T.","Low-temperature flux synthesis of a novel one-dimensional copper (II) chlorophosphate: crystal structure and magnetic property of Na3[CuO(HPO4)Cl]","Journal of Solid State Chemistry","2005","178","","912","916","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534654","9.1508","","25.5271","","8.3574","","90","","90","","90","","1952.23","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn4 (P2 O7)2 (H2 O)10","","- H20 O24 P4 Zn4 -","- H20 O24 P4 Zn4 -","- H80 O96 P16 Zn16 -","4","0.5","","Assaaoudi, H.; Belanger-Gariepy, F.; Butler, I. S.; Kozinski, J.","Crystal structure, vibrational spectra and thermal decomposition of a new tetrazinc(II) dipyrophosphate decahydrate, Zn~4~(P~2~O~7~)~2~.~10~H~2~O","Journal of Chemical Crystallography","2005","35","1","49","59","10.1007/s10870-005-1154-7","","","","","","","","","","","","","","","","","","","","","has coordinates","174916","2020-10-21","18:00:00",""
"1534660","12.3572","","17.2354","","18.1337","","90","","90","","90","","3862.14","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ba2 Sn Se5","","- Ba2 Se5 Sn -","- Ba2 Se5 Sn -","- Ba32 Se80 Sn16 -","16","4","","Assoud, A.; Kleinke, H.; Soheilnia, N.","The new semiconducting polychalcogenide Ba2 Sn Se5 exhibiting Se3(2-) units and distorted Sn Se6 octahedra","Journal of Solid State Chemistry","2005","178","","1087","1093","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534666","7.9612","","10.3444","","11.7798","","90","","90","","90","","970.112","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cs2 Sn Si3 O9","","- Cs2 O9 Si3 Sn -","- Cs2 O9 Si3 Sn -","- Cs8 O36 Si12 Sn4 -","4","1","","Lo, F.-R.; Lii, K.-H.","High-temperature, high-pressure hydrothermal synthesis and characterization of a new framework stannosilicate: Cs2 Sn Si3 O9","Journal of Solid State Chemistry","2005","178","","1017","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534683","22.2248","","12.6847","","28.2393","","90","","96.0234","","90","","7917.13","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Na K7 (S2 W18 O62) (H2 O)22","","- H44 K7 Na O84 S2 W18 -","- K7 Na O84 S2 W18 -","- K28 Na4 O336 S8 W72 -","4","1","","Long De-Liang; Cronin, L.; Abbas, H.; Koegerler, P.","Confined electron-transfer reactions within a molecular metal oxide ""Trojan Horse""","Angew. Chem. Int. ed.","2005","44","","3415","3419","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534771","7.51","","7.51","","13.171","","90","","90","","90","","742.846","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Tm4.82 Ni2 In1.18","","- In1.18 Ni2 Tm4.82 -","- In1.17 Ni2 Tm4.83 -","- In4.68 Ni8 Tm19.32 -","4","0.125","","Lukachuk, M.; Kal'ichak, Ya.M.; Poettgen, R.; Dzevenko, M.","On the Crystal Chemistry of Tm2 Ni1.896(4) In, Tm2.22(2) Ni1.81(1) In0.78(2), Tm4.83(3) Ni2 In1.17(3), and Er5 Ni2 In","Journal of Solid State Chemistry","2005","178","","1247","1253","","","","","","","","","","","","","","","","","","","","","","has coordinates","161751","2020-10-21","18:00:00",""
"1534775","7.3437","","7.3437","","3.586","","90","","90","","90","","193.393","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Tm2.22 Ni1.81 In0.78","","- In0.78 Ni1.81 Tm2.22 -","- In0.779 Ni1.814 Tm2.221 -","- In1.558 Ni3.628 Tm4.442 -","2","0.125","","Lukachuk, M.; Poettgen, R.; Kal'ichak, Ya.M.; Dzevenko, M.","On the Crystal Chemistry of Tm2 Ni1.896(4) In, Tm2.22(2) Ni1.81(1) In0.78(2), Tm4.83(3) Ni2 In1.17(3), and Er5 Ni2 In","Journal of Solid State Chemistry","2005","178","","1247","1253","","","","","","","","","","","","","","","","","","","","","","has coordinates","161756","2020-10-21","18:00:00",""
"1534779","7.3108","","7.3108","","3.588","","90","","90","","90","","191.771","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Tm2 Ni1.89 In","","- In Ni1.89 Tm2 -","- In Ni1.896 Tm2 -","- In2 Ni3.792 Tm4 -","2","0.125","","Lukachuk, M.; Kal'ichak, Ya.M.; Poettgen, R.; Dzevenko, M.","On the Crystal Chemistry of Tm2 Ni1.896(4) In, Tm2.22(2) Ni1.81(1) In0.78(2), Tm4.83(3) Ni2 In1.17(3), and Er5 Ni2 In","Journal of Solid State Chemistry","2005","178","","1247","1253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534783","17.395","","6.778","","7.663","","90","","90","","90","","903.493","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Zr5 Ir2 In3.93","","- In3.93 Ir2 Zr5 -","- In3.934 Ir2 Zr5 -","- In15.736 Ir8 Zr20 -","4","0.5","","Lukachuk, M.; Hoffmann, R.D.; Poettgen, R.","Zr5 Ir2 In4 - A Superstructure of the Lu5 Ni2 In4 Type","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","127","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","161766","2020-10-21","18:00:00",""
"1534809","11.4048","","11.4048","","11.4062","","90","","90","","120","","1284.83","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Rb2 (Mo (I O3)6)","","- I6 Mo O18 Rb2 -","- I6 Mo O18 Rb2 -","- I18 Mo3 O54 Rb6 -","3","0.166667","","Shehee, T.C.; Pehler, S.F.; Albrecht-Schmitt, T.E.","Hydrothermal synthesis and structures of the homoleptic iodate complexes [M (I O)6](2-) (M = Mo, Zr)","Journal of Alloys Compd.","2005","388","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534812","11.7684","","11.7684","","11.7201","","90","","90","","120","","1405.71","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Cs2 (Zr (I O3)6)","","- Cs2 I6 O18 Zr -","- Cs2 I6 O18 Zr -","- Cs6 I18 O54 Zr3 -","3","0.166667","","Shehee, T.C.; Pehler, S.F.; Albrecht-Schmitt, T.E.","Hydrothermal synthesis and structures of the homoleptic iodate complexes [M (I O)6](2-) (M = Mo, Zr)","Journal of Alloys Compd.","2005","388","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534815","11.5575","","11.5575","","11.4987","","90","","90","","120","","1330.17","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Rb2 (Zr (I O3)6)","","- I6 O18 Rb2 Zr -","- I6 O18 Rb2 Zr -","- I18 O54 Rb6 Zr3 -","3","0.166667","","Shehee, T.C.; Pehler, S.F.; Albrecht-Schmitt, T.E.","Hydrothermal synthesis and structures of the homoleptic iodate complexes [M (I O)6](2-) (M= Mo, Zr)","Journal of Alloys Compd.","2005","388","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534821","8.746","","7.48","","5.013","","90","","90","","90","","327.951","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Shepelev, Yu.F.; Filatov, S.K.; Bubnova, R.S.; Sennova, N.A.; Pilneva, N.A.","Li B3 O5 crystal structure at 20, 227, and 377 degree C","Journal of Solid State Chemistry","2005","178","","2987","2997","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534857","11.2418","","18.5245","","7.3188","","90","","90","","90","","1524.13","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","(Ni (H2 O)6)2 (P2 O6)","","- H24 Ni2 O18 P2 -","- H24 Ni2 O18 P2 -","- H96 Ni8 O72 P8 -","4","0.5","","Haag, J.M.; LeBret, G.C.; Cleary, D.A.; Twamley, B.","Room Temperature Synthesis and Solid-State Structure of Ni2 P2 O6 . 12 H2 O","Journal of Solid State Chemistry","2005","178","","1308","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","161901","2020-10-21","18:00:00",""
"1534873","11.495","","7.2293","","25.394","","90","","90","","90","","2110.26","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K (U O2 (I O3)3)","","- I3 K O11 U -","- I3 K O11 U -","- I24 K8 O88 U8 -","8","1","","Shvareva, T.Y.; Almond, P.M.; Albrecht-Schmitt, T.E.","Crystal chemistry and ion-exchange properties of the layered uranyl iodate K [U O2 (I O3)3]","Journal of Solid State Chemistry","2005","178","","499","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534934","26.753","","26.753","","21.241","","90","","90","","90","","15202.7","","","","","","","","","","","","","8","I 4/m","-I 4","87","","K12 Li13 (Cu20 Cl (O H)24 (H2 O)12 (P8 W48 O184)) (H2 O)22","","- Cl Cu20 H92 K12 Li13 O242 P8 W48 -","- Cl Cu20 K12 O242 P8 W48 -","- Cl2 Cu40 K24 O484 P16 W96 -","2","0.125","","Mal, S.S.; Kortz, U.","The wheel-shaped Cu20 tungstophosphate [Cu20 Cl (O H)24 (H2 O)12 (P8 W48 O184)](25-) ion","Angew. Chem. Int. ed.","2005","44","","3777","3780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534937","9.0065","","9.0574","","9.3057","","90","","116.88","","90","","677.098","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pb3 Fe2 (P O4)4","","- Fe2 O16 P4 Pb3 -","- Fe2 O16 P4 Pb3 -","- Fe4 O32 P8 Pb6 -","2","0.5","","Malakho, A.P.; Morozov, V.A.; Lazoryak, B.I.; Pokholok, K.V.; van Tendeloo, G.","Layered ordering of vacancies of lead iron phosphate Pb3 Fe2 (P O4)4","Solid State Sciences","2005","7","","397","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","162017","2020-10-21","18:00:00",""
"1534954","9.3962","","9.3962","","7.2225","","90","","90","","120","","552.233","","","","","","","","","","","","","2","P -3","-P 3","147","","W (N3)6","","- N18 W -","- N18 W -","- N36 W2 -","2","0.333333","","Haiges, R.; Boatz, J.A.; Bau, R.; Yousufuddin, M.; Schroer, T.; Schneider, S.; Christe, K.O.","Polyazide chemistry: the first binary group 6 azides, Mo (N3)6, W (N3)6, [Mo (N3)7]-, and [W (N3)7-, the [N W (N3)4]- and [N Mo (N3)4]-","Angew. Chem. Int. ed.","2005","44","","1860","1865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535000","13.8354","","13.8354","","9.8893","","90","","90","","90","","1892.99","","","","","","","","","","","","","5","I -4 m 2","I -4 -2","119","","Rb5 K Sn5 Zn4 S17","","- K Rb5 S17 Sn5 Zn4 -","- K Rb5.04 S17 Sn5 Zn4 -","- K2 Rb10.08 S34 Sn10 Zn8 -","2","0.125","","Manos, M.J.; Iyer, R.G.; Quarez, E.; Liao, J.H.; Kanatzidis, M.G.","{Sn [Zn4 Sn4 S17]}(6-): A robust open framework based on metal-linked penta-supertetrahedral [Zn4 Sn4 S17](10-) clusters with ion-exchange properties","Angew. Chem. Int. ed.","2005","44","","3552","3555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535009","7.4453","","9.8923","","23.064","","90","","90","","90","","1698.69","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na (N H3)5 Rb Se3 (N H3)3","","- H24 N8 Na Rb Se3 -","- H24 N8 Na Rb Se3 -","- H96 N32 Na4 Rb4 Se12 -","4","0.5","","Hanauer, T.; Kraus, F.; Korber, N.","Synthesis and Crystal Structure of Tetraamminelithium-Rubidiumtriselenide, Li (N H3)4 Rb Se3 and Pentaamminesodium-Rubidiumtriselenide-Ammonia (1/3), Na (N H3)5 Rb Se3 * 3(N H3)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","119","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535013","19.924","","5.9664","","20.476","","90","","112.92","","90","","2241.9","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Li (N H3)4 Rb Se3","","- H12 Li N4 Rb Se3 -","- H12 Li N4 Rb Se3 -","- H96 Li8 N32 Rb8 Se24 -","8","1","","Hanauer, T.; Kraus, F.; Korber, N.","Synthesis and Crystal Structure of Tetraamminelithium-Rubidiumtriselenide, Li (N H3)4 Rb Se3 and Pentaamminesodium-Rubidiumtriselenide-Ammonia (1/3), Na (N H3)5 Rb Se3 * 3(N H3)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","119","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535031","3.959","","16.413","","11.2362","","90","","90","","90","","730.118","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Ce2 Fe1.82 S5 -","- Ce2 Fe1.8235 S5 -","- Ce8 Fe7.294 S20 -","4","1","","Harms, W.; Mills, A.M.; Wagner, F.E.; Soehnel, T.; Laubschat, C.; Geibel, C.; Hossain, Z.; Ruck, M.","The nonstoichiometric ternary cerium iron sulfide Ce2 Fe1.82 S5","Solid State Sciences","2005","7","","59","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535039","7.5034","","7.5034","","6.5152","","90","","90","","120","","317.669","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Fe (N O)3 I","","- Fe1.02 I1.02 N3 O3 -","- Fe1.02 I1.02 N3 O3 -","- Fe2.04 I2.04 N6 O6 -","2","0.166667","","Beck, W.; Enzmann, A.; Mayer, P.","Formation and structure of iodotrinitrosyliron, [Fe (N O)3 I]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","105","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","162166","2020-10-21","18:00:00",""
"1535040","13.86882","","9.93488","","10.02158","","90","","90","","90","","1380.82","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Y2 (Mo O4)3","","- Mo3 O12 Y2 -","- Mo3 O12 Y2 -","- Mo12 O48 Y8 -","4","0.5","","Marinkovic, B.A.; Jardim, P.M.; Rizzo, F.; de Avillez, R.R.","Crystal structure and negative thermal expansion of metastable Y2 Mo3 O12","Solid State Sciences","2005","7","","1377","1383","","","","","","","","","","","","","","","","","","","","","","has coordinates","162167","2020-10-21","18:00:00",""
"1535050","8.1999","","6.2781","","9.3186","","90","","107.39","","90","","457.793","","","","","","","","","","","","","4","A 1 2/m 1","-A 2y","12","","Cu3 (Te O3)2 Br2","","- Br2 Cu3 O6 Te2 -","- Br2 Cu3 O6 Te2 -","- Br4 Cu6 O12 Te4 -","2","0.25","","Becker, R.; Johnsson, M.; Kremer, R.K.; Lemmens, P.","Crystal structure and magnetic properties of Cu3(TeO3)2Br2 - a layered compound with a new Cu(II) coordination polyhedron","Journal of Solid State Chemistry","2005","178","","2024","2029","","","","","","","","","","","","","","","","","","","","","","has coordinates","206168","2020-10-21","18:00:00",""
"1535059","5.2344","","6.6739","","8.9688","","90","","95.276","","90","","311.987","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Mn3 (P O4)2","","- Mn3 O8 P2 -","- Mn3 O8 P2 -","- Mn6 O16 P4 -","2","0.5","","Massa, W.; Yakubovich, O.V.; Dimitrova, O.V.","A Novel Modification of Manganese Orthophosphate Mn3 (P O4)2","Solid State Sciences","2005","7","","950","956","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535061","6.3719","","9.8524","","14.358","","90","","90","","90","","901.374","","","","","","","","","","","","","5","P c m n","-P 2n 2ac","62","","Cu3 Bi (Te O3)2 O2 Cl","","- Bi Cl Cu3 O8 Te2 -","- Bi Cl Cu3 O8 Te2 -","- Bi4 Cl4 Cu12 O32 Te8 -","4","0.5","","Becker, R.; Mats, J.","Crystal structure of Cu3 Bi (Te O3)2 O2 Cl: a Kagome lattice type compound","Solid State Sciences","2005","7","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535097","4.451","","4.451","","10.868","","90","","90","","120","","186.464","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","La2 I2 Ge","","- Ge I2 La2 -","- Ge I2 La2 -","- Ge I2 La2 -","1","0.0833333","","Mattausch, H.J.; Zheng, C.; Ryazanov, M.; Simon, A.","Reduced lanthanum halides with Ge as interstitials: La2 I2 Ge, La2 I2 Ge2, La3 Cl2 Ge3, La3 Br2 Ge3, La3 I3 Ge, La6 I5 Ge3 and La(7+x) I12 Ge","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","302","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535100","4.465","","4.465","","32.591","","90","","90","","120","","562.693","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","La2 I2 Ge","","- Ge I2 La2 -","- Ge I2 La2 -","- Ge3 I6 La6 -","3","0.0833333","","Mattausch, H.J.; Ryazanov, M.; Zheng, C.; Simon, A.","Reduced lanthanum halides with Ge as interstitials: La2 I2 Ge, La2 I2 Ge2, La3 Cl2 Ge3, La3 Br2 Ge3, La3 I3 Ge, La6 I5 Ge3 and La(7+x) I12 Ge","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","302","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535103","18.622","","4.3263","","10.897","","90","","98","","90","","869.366","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","La3 Br2 Ge3","","- Br2 Ge3 La3 -","- Br2 Ge3 La3 -","- Br8 Ge12 La12 -","4","0.5","","Mattausch, H.J.; Zheng, C.; Ryazanov, M.; Simon, A.","Reduced lanthanum halides with Ge as interstitials: La2 I2 Ge, La2 I2 Ge2, La3 Cl2 Ge3, La3 Br2 Ge3, La3 I3 Ge, La6 I5 Ge3 and La(7+x) I12 Ge","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","302","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","162293","2020-10-21","18:00:00",""
"1535106","18.047","","4.297","","10.739","","90","","98.25","","90","","824.169","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","La3 Cl2 Ge3","","- Cl2 Ge3 La3 -","- Cl2 Ge3 La3 -","- Cl8 Ge12 La12 -","4","0.5","","Mattausch, H.J.; Zheng, C.; Simon, A.; Ryazanov, M.","Reduced lanthanum halides with Ge as interstitials: La2 I2 Ge, La2 I2 Ge2, La3 Cl2 Ge3, La3 Br2 Ge3, La3 I3 Ge, La6 I5 Ge3 and La(7+x) I12 Ge","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","302","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","162297","2020-10-21","18:00:00",""
"1535109","5.3304","","4.0305","","7.5445","","90","","100.75","","90","","159.243","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","La Cl (C N2)","","- C Cl La N2 -","- C Cl La N2 -","- C2 Cl2 La2 N4 -","2","0.5","","Srinivasan, R.; Tragl, S.; Glaser, J.; Meyer, H.J.","Lb Cl (C N)2 with Ln = La, Ge, and Pr: Synthesis and structure of a new lanthanide chloride cyanamide related to the Pb F Cl-type structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","479","483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535110","12.6036","","12.6036","","12.6036","","90","","90","","90","","2002.09","","","","","","","","","","","","","3","I 41 3 2","I 4bd 2c 3","214","","La3 I3 Ge","","- Ge I3 La3 -","- Ge I3 La3 -","- Ge8 I24 La24 -","8","0.166667","","Mattausch, H.J.; Zheng, C.; Ryazanov, M.; Simon, A.","Reduced lanthanum halides with Ge as interstitials: La2 I2 Ge, La2 I2 Ge2, La3 Cl2 Ge3, La3 Br2 Ge3, La3 I3 Ge, La6 I5 Ge3 and La(7+x) I12 Ge","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","302","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535113","13.5304","","6.2504","","6.1017","","90","","104.805","","90","","498.892","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","La2 O (C N2)2","","- C2 La2 N4 O -","- C2 La2 N4 O -","- C8 La8 N16 O4 -","4","0.5","","Srinivasan, R.; Tragl, S.; Meyer, H.J.","Synthesis and structure of the new compound La2 O (C N2)2 possessing an interchanged anion proportion compared to the parent La2 O2 (C N2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","719","722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535114","19.338","","4.423","","14.895","","90","","128.16","","90","","1001.73","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","La6 I5 Ge3","","- Ge3 I5 La6 -","- Ge3 I5 La6 -","- Ge6 I10 La12 -","2","0.25","","Mattausch, H.J.; Simon, A.; Zheng, C.; Ryazanov, M.","Reduced lanthanum halides with Ge as interstitials: La2 I2 Ge, La2 I2 Ge2, La3 Cl2 Ge3, La3 Br2 Ge3, La3 I3 Ge, La6 I5 Ge3 and La(7+x) I12 Ge","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","302","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","162305","2020-10-21","18:00:00",""
"1535117","7.855","","9.26","","4.801","","90","","90","","90","","349.212","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Sr N8 Si6","","- N8 Si6 Sr -","- N8 Si6 Sr -","- N16 Si12 Sr2 -","2","0.25","","Stadler, F.; Oeckler, O.; Schnick, W.; Hoeppe, H.A.; Senker, J.; Kroll, P.","Sr Si6 N8 - A Reduced Nitridosilicate With A Si-Si-bond","Angew. Chem. Int. ed.","2005","44","","567","570","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535118","16.122","","16.122","","10.768","","90","","90","","120","","2423.84","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","La7.72 I12 Ge","","- Ge I12 La7.72 -","- Ge I12 La7.72 -","- Ge3 I36 La23.16 -","3","0.166667","","Mattausch, H.J.; Simon, A.; Zheng, C.; Ryazanov, M.","Reduced lanthanum halides with Ge as interstitials: La2 I2 Ge, La2 I2 Ge2, La3 Cl2 Ge3, La3 Br2 Ge3, La3 I3 Ge, La6 I5 Ge3 and La(7+x) I12 Ge","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","302","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535121","6.7702","","6.7975","","6.7292","","116.779","","96.089","","84","","274.346","","","","","","","","","","","","","3","P -1","-P 1","2","","Na2 S2 O7","","- Na2 O7 S2 -","- Na2 O7 S2 -","- Na4 O14 S4 -","2","1","","Stahl, K.; Balic-Zunic, T.; Fehrmann, R.; da Silva, F.; Eriksen, K.M.; Berg, R.W.","The crystal structure determinations and refinements of K2 S2 O7, K Na S2 O7, and Na2 S2 O7 from X-ray powder diffraction and single-crystal data","Journal of Solid State Chemistry","2005","178","","1697","1704","","","","","","","","","","","","","","","","","","","","","","has coordinates","162312","2020-10-21","18:00:00",""
"1535123","5.90495","","7.20112","","7.41885","","101.707","","90.6945","","94.2387","","307.941","","","","","","","","","","","","","4","P -1","-P 1","2","","K Na S2 O7","","- K Na O7 S2 -","- K Na O7 S2 -","- K2 Na2 O14 S4 -","2","1","","Stahl, K.; Balic-Zunic, T.; da Silva, F.; Eriksen, K.M.; Fehrmann, R.; Berg, R.W.","The crystal structure determinations and refinements of K2 S2 O7, K Na S2 O7, and Na2 S2 O7 from X-ray powder diffraction and single-crystal data","Journal of Solid State Chemistry","2005","178","","1697","1704","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535126","12.3653","","7.3122","","7.2868","","90","","93.0792","","90","","657.903","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","K2 S2 O7","","- K2 O7 S2 -","- K2 O7 S2 -","- K8 O28 S8 -","4","0.5","","Stahl, K.; Balic-Zunic, T.; da Silva, F.; Berg, R.W.; Eriksen, K.M.; Fehrmann, R.","The crystal structure determinations and refinements of K2 S2 O7, K Na S2 O7, and Na2 S2 O7 from X-ray powder diffraction and single-crystal data","Journal of Solid State Chemistry","2005","178","","1697","1704","","","","","","","","","","","","","","","","","","","","","","has coordinates","162319","2020-10-21","18:00:00",""
"1535140","19.2745","","11.3698","","52.4082","","90","","93.63","","90","","11462.1","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Bi14 P4 O31","","- Bi14 O31 P4 -","- Bi14 O31 P4 -","- Bi224 O496 P64 -","16","2","","Mauvy, F.; Launay, J.C.; Darriet, J.","Synthesis, crystal structures and ionic conductivities of Bi14 P4 O31 and Bi 50 V4 O85. Two members of the series Bi18-4m M4m O27+4m (M = P, V) related to the fluorite-type structure.","Journal of Solid State Chemistry","2005","178","","2015","2023","","","","","","","","","","","","","","","","","","","","","","has coordinates","162342","2020-10-21","18:00:00",""
"1535224","18.401","","3.9032","","21.944","","90","","106.1","","90","","1514.26","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","La5 Ti3.25 Zr0.25 S5 O9.25","","- La5 O9.25 S5 Ti3.25 Zr0.25 -","- La5 O9.25 S5 Ti3.252 Zr0.248 -","- La20 O37 S20 Ti13.008 Zr0.992 -","4","0.5","","Meignen, V.; Meerschaut, A.; Cario, L.; Lafond, A.","Synthesis and crystal structure of a new oxychalcogenide La5 Ti3.25 Zr0.25 S5 O9.25","Journal of Solid State Chemistry","2005","178","","1637","1643","","","","","","","","","","","","","","","","","","","","","","has coordinates","162480","2020-10-21","18:00:00",""
"1535233","23.8579","","6.4875","","13.3992","","90","","90","","90","","2073.9","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(N H4)2 Ag6 Sn3 S10","","- Ag6 H8 N2 S10 Sn3 -","- Ag6 N2 S10 Sn3 -","- Ag24 N8 S40 Sn12 -","4","0.5","","Baiyin, Menghe; Ye, Ling; An, Yonglin; Liu, Xin; Jia, Cuiying; Ning, Guiling","A solvothermal synthesis and the structure of (NH~4~)~2~Ag~6~Sn~3~S~10~","Bulletin of the Chemical Society of Japan","2005","78","7","1283","1284","10.1246/bcsj.78.1283","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535248","4.2136","","4.2136","","7.039","","90","","90","","120","","108.23","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Yb Cu Ge","","- Cu Ge Yb -","- Cu Ge Yb -","- Cu2 Ge2 Yb2 -","2","0.166667","","Heying, B.; Rodewald, U.C.; Ochiai, A.; Poettgen, R.; Katoh, K.; Niide, Y.","Synthesis and Structure of YbCuGe and YbIrGe","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","655","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535250","6.7109","","4.2155","","7.5716","","90","","90","","90","","214.199","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Ir Ge","","- Ge Ir Yb -","- Ge Ir Yb -","- Ge4 Ir4 Yb4 -","4","0.5","","Heying, B.; Niide, Y.; Rodewald, U.C.; Katoh, K.; Poettgen, R.; Ochiai, A.","Synthesis and Structure of YbCuGe and YbIrGe","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","655","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535313","18.374","","18.374","","63.6678","","90","","90","","120","","18614.8","","","","","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","K12.75 Na4.5 ((Si W8 O31 Cu3 (O H) (H2 O)2 (N3))3 (N3)) (H2 O)24","","- Cu9 H63 K12.75 N12 Na4.5 O126 Si3 W24 -","- Cu9 K12.75 N12 Na4.5 O121.25 Si3 W24 -","- Cu54 K76.5 N72 Na27 O727.5 Si18 W144 -","6","0.333333","","Mialane, P.; Dolbecq, A.; Marrot, J.; Riviere, E.; Secheresse, F.","A Nonanuclear Copper(II) Polyoxometalate Assembled Around a mu-1,1,1,3,3,3-Azido Ligand and Its Parent Tetranuclear Complex","Chemistry - A European Journal","2005","11","","1771","1778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535316","11.9946","","19.0711","","23.455","","90","","99.761","","90","","5287.67","","","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","K0.5 Na0.5 Cs11 ((Si W10 O36 Cu2 (H2 O) (N3)2)2) (H2 O)26 O0.5","","- Cs11 Cu4 H56 K0.5 N12 Na0.5 O100.5 Si2 W20 -","- Cs11 Cu4 K0.5 N12 Na0.5 O100.5 Si2 W20 -","- Cs22 Cu8 K N24 Na O201 Si4 W40 -","2","0.5","","Mialane, P.; Dolbecq, A.; Marrot, J.; Secheresse, F.; Riviere, E.","A Nonanuclear Copper(II) Polyoxometalate Assembled Around a mu-1,1,1,3,3,3-Azido Ligand and Its Parent Tetranuclear Complex","Chemistry - A European Journal","2005","11","","1771","1778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535321","10.1685","","4.0355","","6.5929","","90","","101.111","","90","","265.468","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Al3 Tb2 Si2","","- Al3 Si2 Tb2 -","- Al3 Si2 Tb2 -","- Al6 Si4 Tb4 -","2","0.25","","Bobev, S.; Tobash, P.H.; Thompson, J.D.; Fritsch, V.; Sarrao, J.L.; Hundley, M.F.; Fisk, Z.","Ternary rare-earth alumo-silicides - single-crystal growth from Al flux, structural and physical properties","Journal of Solid State Chemistry","2005","178","","2091","2103","","","","","","","","","","","","","","","","","","","","","","has coordinates","162629","2020-10-21","18:00:00",""
"1535323","10.0851","","4.0126","","6.5597","","90","","100.814","","90","","260.74","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Al3 Ho2 Si2 -","- Al3 Ho2 Si2 -","- Al6 Ho4 Si4 -","2","0.25","","Bobev, S.; Tobash, P.H.; Fisk, Z.; Fritsch, V.; Thompson, J.D.; Hundley, M.F.; Sarrao, J.L.","Ternary rare-earth alumo-silicides - single-crystal growth from Al flux, structural and physical properties","Journal of Solid State Chemistry","2005","178","","2091","2103","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535325","10.0443","","4.0013","","6.5432","","90","","100.668","","90","","258.428","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Al3 Er2 Si2 -","- Al3 Er2 Si2 -","- Al6 Er4 Si4 -","2","0.25","","Bobev, S.; Thompson, J.D.; Tobash, P.H.; Fritsch, V.; Fisk, Z.; Hundley, M.F.; Sarrao, J.L.","Ternary rare-earth alumo-silicides - single-crystal growth from Al flux, structural and physical properties","Journal of Solid State Chemistry","2005","178","","2091","2103","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535329","10.1228","","4.0231","","6.5746","","90","","100.956","","90","","262.871","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Al3 Dy2 Si2 -","- Al3 Dy2 Si2 -","- Al6 Dy4 Si4 -","2","0.25","","Bobev, S.; Tobash, P.H.; Fritsch, V.; Thompson, J.D.; Hundley, M.F.; Fisk, Z.; Sarrao, J.L.","Ternary rare-earth alumo-silicides - single-crystal growth from Al flux, structural and physical properties","Journal of Solid State Chemistry","2005","178","","2091","2103","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535332","10.0094","","3.9932","","6.5282","","90","","100.458","","90","","256.595","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Al3 Tm2 Si2","","- Al3 Si2 Tm2 -","- Al3 Si2 Tm2 -","- Al6 Si4 Tm4 -","2","0.25","","Bobev, S.; Tobash, P.H.; Hundley, M.F.; Fritsch, V.; Thompson, J.D.; Sarrao, J.L.; Fisk, Z.","Ternary rare-earth alumo-silicides - single-crystal growth from Al flux, structural and physical properties","Journal of Solid State Chemistry","2005","178","","2091","2103","","","","","","","","","","","","","","","","","","","","","","has coordinates","162644","2020-10-21","18:00:00",""
"1535335","4.1255","","4.1255","","14.432","","90","","90","","90","","245.629","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Al Gd Si -","- Al Gd Si -","- Al4 Gd4 Si4 -","4","0.125","","Bobev, S.; Tobash, P.H.; Fritsch, V.; Thompson, J.D.; Hundley, M.F.; Sarrao, J.L.; Fisk, Z.","Ternary rare-earth alumo-silicides - single-crystal growth from Al flux, structural and physical properties","Journal of Solid State Chemistry","2005","178","","2091","2103","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535362","9.8339","","22.114","","8.4955","","90","","105.757","","90","","1778.06","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ir3 Mg17.1 In1.9","","- In1.9 Ir3 Mg17.1 -","- In1.908 Ir3 Mg17.092 -","- In7.632 Ir12 Mg68.368 -","4","0.5","","Hlukhyy, V.; Poettgen, R.","The magnesium-rich intermetallics Ir3.30(1) Mg17.96(4) In0.74(4) and Ir3 Mg17.1(1) In1.9(1)","Journal of Solid State Chemistry","2005","178","","79","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","162681","2020-10-21","18:00:00",""
"1535364","9.791","","21.974","","8.482","","90","","105.79","","90","","1756.02","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ir3.30 Mg17.96 In0.74","","- In0.74 Ir3.3 Mg17.96 -","- In0.741 Ir3.301 Mg17.958 -","- In2.964 Ir13.204 Mg71.832 -","4","0.5","","Hlukhyy, V.; Poettgen, R.","The magnesium-rich intermetallics Ir3.30(1) Mg17.96(4) In0.74(4) and Ir3 Mg17.1(1) In1.9(1)","Journal of Solid State Chemistry","2005","178","","79","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","162685","2020-10-21","18:00:00",""
"1535431","16.76","","12.321","","17.425","","90","","90","","90","","3598.26","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ir13 Al45","","- Al45 Ir13 -","- Al45 Ir13 -","- Al180 Ir52 -","4","0.5","","Bostroem, M.; Niewa, R.; Prots', Yu.M.; Grin', Yu.","Synthesis, phase relationship and crystal structure of the new binary compound Ir13 Al45","Journal of Solid State Chemistry","2005","178","","339","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","162815","2020-10-21","18:00:00",""
"1535437","6.3779","","6.4318","","8.7337","","90","","94.776","","90","","357.024","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Al9 Ir2 -","- Al9 Ir2 -","- Al18 Ir4 -","2","0.5","","Bostroem, M.; Rosner, H.; Prots', Yu.M.; Grin', Yu.; Burkhardt, U.","The Co2 Al9 structure type revisited","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","534","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535441","6.4329","","6.4099","","8.8068","","90","","93.464","","90","","362.478","","","","","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- Ga9 Ir2 -","- Ga9 Ir2 -","- Ga18 Ir4 -","2","1","","Bostroem, M.; Grin', Yu.; Rosner, H.; Prots', Yu.M.; Burkhardt, U.","The Co2 Al9 structure type revisited","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","534","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535444","6.3501","","6.4266","","8.7181","","90","","94.809","","90","","354.529","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Al9 Rh2 -","- Al9 Rh2 -","- Al18 Rh4 -","2","0.5","","Bostroem, M.; Rosner, H.; Grin', Yu.; Burkhardt, U.; Prots', Yu.M.","The Co2 Al9 structure type revisited","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","534","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535448","6.4164","","6.4119","","8.7847","","90","","93.39","","90","","360.782","","","","","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- Ga9 Rh2 -","- Ga9 Rh2 -","- Ga18 Rh4 -","2","1","","Bostroem, M.; Rosner, H.; Prots', Yu.M.; Burkhardt, U.; Grin', Yu.","The Co2 Al9 structure type revisited","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","534","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535476","10.773","","10.773","","8.1453","","90","","90","","120","","818.674","","","","","","","","","","","","","3","P -6","P -6","174","","K2 Os O5","","- K2 O5 Os -","- K2 O5 Os -","- K12 O30 Os6 -","6","1","","Mogare, K.M.; Jansen, M.; Klein, W.","Synthesis and crystal structure of potassium osmate(VIII), K2 Os O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","468","471","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535560","7.37","","7.37","","17.937","","90","","90","","90","","974.282","","","","","","","","","","","","","4","P 41 2 2","P 4w 2c","91","","Sr2 (H2 F3) (H F2)2 (P F6)","","- F13 H4 P Sr2 -","- F13 H4 P Sr2 -","- F52 H16 P4 Sr8 -","4","0.5","","Tramsek, M.; Tavcar, G.; Benkic, P.; Bunic, T.; Zemva, B.","Alkaline earth metal poly(hydrogenfluorides) hexafluoroarsenates(V) and hexafluorophosphates(V): M2(H2F3)(HF2)(AF6) (M = Ca, A = As; M = Sr, A = As, P)","Journal of Fluorine Chemistry","2005","126","","1088","1094","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535562","7.1467","","7.1467","","17.548","","90","","90","","90","","896.27","","","","","","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","Ca2 (H2 F3) (H F2)2 (As F6)","","- As Ca2 F13 H4 -","- As Ca2 F13 H4 -","- As4 Ca8 F52 H16 -","4","0.5","","Tramsek, M.; Benkic, P.; Tavcar, G.; Zemva, B.; Bunic, T.","Alkaline earth metal poly(hydrogen fluorides) hexafluoroarsenates(V) and hexafluorophosphates(V): M2(H2F3)(HF2)(AF6) (M = Ca, A = As; M = Sr, A = As, P)","Journal of Fluorine Chemistry","2005","126","","1088","1094","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535627","14.1447","","9.5686","","14.3596","","90","","118.873","","90","","1701.91","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Br3 (H2 O) Sn (O H)2 Sn (O H2) Br3)2 (H2 O)7","","- Br12 H26 O15 Sn4 -","- Br12 H26 O15 Sn4 -","- Br24 H52 O30 Sn8 -","2","0.5","","Howie R.A.; Skakle, J.M.S.; Wardell, J.L.","Synthesis and crystal structure of bis-{di-mu-hydroxobis[fac-tribromoaquotin(IV)]} heptahydrate","Inorganica Chimica Acta","2005","358","","3283","3286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535630","10.4788","","8.425","","17.9897","","90","","94.7478","","90","","1582.75","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K2 Li V S4","","- K2 Li S4 V -","- K2 Li S4 V -","- K16 Li8 S32 V8 -","8","1","","Huang, F.Q.; Deng, B.; Ibers, J.A.","Syntheses and structures of six compounds in the A2 Li M S4 (A = K, Rb, Cs; M = V, Nb, Ta) family","Journal of Solid State Chemistry","2005","178","","194","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535633","5.8134","","13.083","","23.164","","90","","90","","90","","1761.78","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Rb2 Li V S4","","- Li Rb2 S4 V -","- Li Rb2 S4 V -","- Li8 Rb16 S32 V8 -","8","0.25","","Huang, F.Q.; Deng, B.; Ibers, J.A.","Syntheses and structures of six compounds in the A2 Li M S4 (A = K, Rb, Cs; M = V, Nb, Ta) family","Journal of Solid State Chemistry","2005","178","","194","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535637","5.8316","","13.6095","","24.177","","90","","90","","90","","1918.81","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Cs2 Li V S4","","- Cs2 Li S4 V -","- Cs2 Li S4 V -","- Cs16 Li8 S32 V8 -","8","0.25","","Huang, F.Q.; Ibers, J.A.; Deng, B.","Syntheses and structures of six compounds in the A2 Li M S4 (A = K, Rb, Cs; M = V, Nb, Ta) family","Journal of Solid State Chemistry","2005","178","","194","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535641","6.9186","","7.2518","","9.7609","","96.65","","92.239","","91.279","","485.883","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Li Nb S4 -","- Cs2 Li Nb S4 -","- Cs4 Li2 Nb2 S8 -","2","1","","Huang, F.Q.; Deng, B.; Ibers, J.A.","Syntheses and structures of six compounds in the A2 Li M S4 (A = K, Rb, Cs; M = V, Nb, Ta) family","Journal of Solid State Chemistry","2005","178","","194","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535645","7.0452","","11.3929","","11.8205","","71.747","","87.766","","83.652","","895.502","","","","","","","","","","","","","4","P -1","-P 1","2","","Rb2 Li Ta S4","","- Li Rb2 S4 Ta -","- Li Rb2 S4 Ta -","- Li4 Rb8 S16 Ta4 -","4","2","","Huang, F.Q.; Deng, B.; Ibers, J.A.","Syntheses and structures of six compounds in the A2 Li M S4 (A = K, Rb, Cs; M = V, Nb, Ta) family","Journal of Solid State Chemistry","2005","178","","194","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535648","7.0285","","11.3919","","11.8129","","71.761","","87.877","","83.876","","893.182","","","","","","","","","","","","","4","P -1","-P 1","2","","Rb2 Li Nb S4","","- Li Nb Rb2 S4 -","- Li Nb Rb2 S4 -","- Li4 Nb4 Rb8 S16 -","4","2","","Huang, F.Q.; Deng, B.; Ibers, J.A.","Syntheses and structures of six compounds in the A2 Li M S4 (A = K, Rb, Cs; M = V, Nb, Ta) family","Journal of Solid State Chemistry","2005","178","","194","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535651","11.0653","","11.0643","","15.5796","","90","","100.244","","90","","1877","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- In Rb S2 -","- In Rb S2 -","- In16 Rb16 S32 -","16","2","","Huang, F.Q.; Deng, B.; Ellis, D.E.; Ibers, J.A.","Preparation, structures, and band gaps of RbInS2 and RbInSe2","Journal of Solid State Chemistry","2005","178","","2128","2132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535655","11.477","","11.471","","16.186","","90","","100.16","","90","","2097.51","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- In Rb Se2 -","- In Rb Se2 -","- In16 Rb16 Se32 -","16","2","","Huang, F.Q.; Deng, B.; Ellis, D.E.; Ibers, J.A.","Preparation, structures, and band gaps of RbInS2 and RbInSe2","Journal of Solid State Chemistry","2005","178","","2128","2132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535683","5.4593","","5.7219","","7.735","","90","","90.222","","90","","241.621","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pr2 Li Ir O6","","- Ir Li O6 Pr2 -","- Ir Li O6 Pr2 -","- Ir2 Li2 O12 Pr4 -","2","0.5","","Mugavero, S.J.; Smith, M.D.; zur Loye, H.C.","Crystal growth and magnetic properties of Ln2 Li Ir O6 (Ln = Pr, Nd, Sm, Eu)","Journal of Solid State Chemistry","2005","178","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535685","5.429","","5.7412","","7.704","","90","","90.543","","90","","240.115","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Nd2 Li (Ir O6)","","- Ir Li Nd2 O6 -","- Ir Li Nd2 O6 -","- Ir2 Li2 Nd4 O12 -","2","0.5","","Mugavero, S.J.; Smith, M.D.; zur Loye, H.C.","Crystal growth and magnetic properties of Ln2 Li Ir O6 (Ln = Pr, Nd, Sm, Eu)","Journal of Solid State Chemistry","2005","178","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535688","5.3736","","5.748","","7.6346","","90","","90.368","","90","","235.808","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sm2 Li Ir O6","","- Ir Li O6 Sm2 -","- Ir Li O6 Sm2 -","- Ir2 Li2 O12 Sm4 -","2","0.5","","Mugavero, S.J.; Smith, M.D.; zur Loye, H.C.","Crystal growth and magnetic properties of Ln2 Li Ir O6 (Ln = Pr, Nd, Sm, Eu)","Journal of Solid State Chemistry","2005","178","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535689","19.2111","","31.003","","32.252","","102.404","","99.506","","95.362","","18336.8","","","","","","","","","","","","","4","P -1","-P 1","2","","H91 Li48 U48 O427","","- H91 Li48 O427 U48 -","- Li48 O427 U48 -","- Li96 O854 U96 -","2","1","","Burns, P.C.; Sigmon, G.; Kubatko, K.A.; Fryer, B.J.; Soderholm, L.; Gagnon, J.E.; Antonio, M.R.","Actinyl Peroxide Nanospheres","Angew. Chem. Int. ed.","2005","44","","2135","2139","","","","","","","","","","","","","","","","","","","","","","has coordinates","163134","2020-10-21","18:00:00",""
"1535692","5.3549","","5.7538","","7.6129","","90","","90.782","","90","","234.539","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Eu2 Ir Li O6 -","- Eu2 Ir Li O6 -","- Eu4 Ir2 Li2 O12 -","2","0.5","","Mugavero, S.J.; Smith, M.D.; zur Loye, H.C.","Crystal growth and magnetic properties of Ln2 Li Ir O6 (Ln = Pr, Nd, Sm, Eu)","Journal of Solid State Chemistry","2005","178","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535693","18.1554","","18.1554","","26.6926","","90","","90","","90","","8798.38","","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- H200 Li28 Np49.1 O374 -","- Li28 Np49.058 O374 -","- Li28 Np49.058 O374 -","1","0.0625","","Burns, P.C.; Soderholm, L.; Sigmon, G.; Fryer, B.J.; Gagnon, J.E.; Antonio, M.R.; Kubatko, K.A.","Actinyl Peroxide Nanospheres","Angew. Chem. Int. ed.","2005","44","","2135","2139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535696","5.5536","","5.6355","","7.8528","","90","","90.177","","90","","245.77","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La2 Li Ir O6","","- Ir La2 Li O6 -","- Ir La2 Li O6 -","- Ir2 La4 Li2 O12 -","2","0.5","","Mugavero, S.J.; Smith, M.D.; zur Loye, H.C.","Crystal growth and magnetic properties of Ln2 Li Ir O6 (Ln = Pr, Nd, Sm, Eu)","Journal of Solid State Chemistry","2005","178","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535697","19.2609","","33.813","","28.1628","","90","","90","","90","","18341.6","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- H80 K72 O316 U56.82 -","- K72 O316 U56.812 -","- K144 O632 U113.624 -","2","0.25","","Burns, P.C.; Fryer, B.J.; Sigmon, G.; Kubatko, K.A.; Soderholm, L.; Gagnon, J.E.; Antonio, M.R.","Actinyl Peroxide Nanospheres","Angew. Chem. Int. ed.","2005","44","","2135","2139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535699","13.1402","","19.0642","","17.5666","","90","","90.274","","90","","4400.51","","","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","Cs4 K3 Na3 (Cd4 Cl2 (As W9 O34)2) (H2 O)20","","- As2 Cd4 Cl2 Cs4 H40 K3 Na3 O88 W18 -","- As2 Cd4 Cl2 Cs4 K3 Na3 O88 W18 -","- As4 Cd8 Cl4 Cs8 K6 Na6 O176 W36 -","2","0.5","","Hussain, F.; Bi, L.H.; Rauwald, U.; Reicke, M.; Kortz, U.","Structure and Solution Properties of the Cadmium(II)-Substituted Tungstoarsenate [Cd4 Cl2 (B-alpha-As W9 O34)2](12-)","Polyhedron","2005","24","","847","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535700","38.84","","36.52","","41.3","","90","","102.863","","90","","57111.3","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- H944 O1752 U256 -","- O1752 U256 -","- O1752 U256 -","1","0.25","","Burns, P.C.; Kubatko, K.A.; Fryer, B.J.; Antonio, M.R.; Sigmon, G.; Soderholm, L.; Gagnon, J.E.","Actinyl Peroxide Nanospheres","Angew. Chem. Int. ed.","2005","44","","2135","2139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535739","4.256","","24.993","","4.258","","90","","90","","90","","452.924","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nd1 Se1 Te2","","- Nd Se Te2 -","- Nd Se Te2 -","- Nd4 Se4 Te8 -","4","0.25","","Tsinde, B.P.F.; Doert, T.","The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions","Solid State Sciences","2005","7","","573","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535746","4.257","","25.176","","4.259","","90","","90.04","","90","","456.455","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ce1 Se1 Te2","","- Ce1.0257 Se1.0257 Te2 -","- Ce1.0257 Se1.0257 Te2 -","- Ce4.1028 Se4.1028 Te8 -","4","0.5","","Tsinde, B.P.F.; Doert, T.","The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions","Solid State Sciences","2005","7","","573","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","163205","2020-10-21","18:00:00",""
"1535748","9.5553","","9.5553","","6.9516","","90","","90","","120","","549.673","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Mn Nd4 O Se6 -","- Mn Nd4 O Se6 -","- Mn2 Nd8 O2 Se12 -","2","0.166667","","Ijjaali, I.; Bin Deng; Ibers, J.A.","Seven new rare-earth transition-metal oxychalcogenides: Syntheses and characterization of Ln4 Mn O Se6 (Ln = La, Ce, Nd), Ln4 Fe O Se6 (Ln = La, Ce, Sm), and La4 Mn O S6","Journal of Solid State Chemistry","2005","178","","1503","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535750","4.261","","25.23","","4.262","","90","","90","","90","","458.186","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Se Te2 -","- Ce0.9989 Se0.9989 Te2 -","- Ce3.9956 Se3.9956 Te8 -","4","0.25","","Tsinde, B.P.F.; Doert, T.","The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions","Solid State Sciences","2005","7","","573","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535752","9.6795","","9.6795","","7.0235","","90","","90","","120","","569.889","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Mn Ce4 O Se6","","- Ce4 Mn O Se6 -","- Ce4 Mn O Se6 -","- Ce8 Mn2 O2 Se12 -","2","0.166667","","Ijjaali, I.; Bin Deng; Ibers, J.A.","Seven new rare-earth transition-metal oxychalcogenides: Syntheses and characterization of Ln4 Mn O Se6 (Ln = La, Ce, Nd), Ln4 Fe O Se6 (Ln = La, Ce, Sm), and La4 Mn O S6","Journal of Solid State Chemistry","2005","178","","1503","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535754","4.262","","25.034","","4.272","","90","","90","","90","","455.801","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pr1 Se1 Te2","","- Pr Se Te2 -","- Pr Se Te1.994 -","- Pr4 Se4 Te7.976 -","4","0.25","","Tsinde, B.P.F.; Doert, T.","The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions","Solid State Sciences","2005","7","","573","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535755","9.6405","","9.6405","","6.9888","","90","","90","","120","","562.513","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Fe Ce4 O Se6","","- Ce4 Fe O Se6 -","- Ce4 Fe O Se6 -","- Ce8 Fe2 O2 Se12 -","2","0.166667","","Ijjaali, I.; Bin Deng; Ibers, J.A.","Seven new rare-earth transition-metal oxychalcogenides: Syntheses and characterization of Ln4 Mn O Se6 (Ln = La, Ce, Nd), Ln4 Fe O Se6 (Ln = La, Ce, Sm), and La4 Mn O S6","Journal of Solid State Chemistry","2005","178","","1503","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535759","9.7596","","9.7596","","7.0722","","90","","90","","120","","583.377","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Mn La4 O Se6","","- La4 Mn O Se6 -","- La4 Mn O Se6 -","- La8 Mn2 O2 Se12 -","2","0.166667","","Ijjaali, I.; Ibers, J.A.; Bin Deng","Seven new rare-earth transition-metal oxychalcogenides: Syntheses and characterization of Ln4 Mn O Se6 (Ln = La, Ce, Nd), Ln4 Fe O Se6 (Ln = La, Ce, Sm), and La4 Mn O S6","Journal of Solid State Chemistry","2005","178","","1503","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535764","9.4489","","9.4489","","6.8784","","90","","90","","120","","531.839","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Fe Sm4 O Se6","","- Fe O Se6 Sm4 -","- Fe O Se6 Sm4 -","- Fe2 O2 Se12 Sm8 -","2","0.166667","","Ijjaali, I.; Bin Deng; Ibers, J.A.","Seven new rare-earth transition-metal oxychalcogenides: Syntheses and characterization of Ln4 Mn O Se6 (Ln = La, Ce, Nd), Ln4 Fe O Se6 (Ln = La, Ce, Sm), and La4 Mn O S6","Journal of Solid State Chemistry","2005","178","","1503","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535768","9.4766","","9.4766","","6.8246","","90","","90","","120","","530.778","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Mn La4 O S6","","- La4 Mn O S6 -","- La4 Mn O S6 -","- La8 Mn2 O2 S12 -","2","0.166667","","Ijjaali, I.; Ibers, J.A.; Bin Deng","Seven new rare-earth transition-metal oxychalcogenides: Syntheses and characterization of Ln4 Mn O Se6 (Ln = La, Ce, Nd), Ln4 Fe O Se6 (Ln = La, Ce, Sm), and La4 Mn O S6","Journal of Solid State Chemistry","2005","178","","1503","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535773","9.7388","","9.7388","","7.0512","","90","","90","","120","","579.168","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Fe La4 O Se6 -","- Fe La4 O Se6 -","- Fe2 La8 O2 Se12 -","2","0.166667","","Ijjaali, I.; Bin Deng; Ibers, J.A.","Seven new rare-earth transition-metal oxychalcogenides: Syntheses and characterization of Ln4 Mn O Se6 (Ln = La, Ce, Nd), Ln4 Fe O Se6 (Ln = La, Ce, Sm), and La4 Mn O S6","Journal of Solid State Chemistry","2005","178","","1503","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535796","4.9806","","4.9806","","10.075","","90","","90","","90","","249.924","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Li Sc F4","","- F4 Li Sc -","- F4 Li Sc -","- F16 Li4 Sc4 -","4","0.25","","Tyagi, A.K.; Koehler, J.; Weber, J.; Balog, P.","Synthesis and structures of Li3 Sc F6 and high pressure Li Sc F4, luminescence properties of Li Sc F4, a new phase in the system Li F - Sc F3","Journal of Solid State Chemistry","2005","178","","2620","2625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535801","8.783","","8.783","","9.518","","90","","90","","120","","635.861","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Li3 Sc F6","","- F6 Li3 Sc -","- F6 Li3 Sc -","- F36 Li18 Sc6 -","6","0.5","","Tyagi, A.K.; Koehler, J.; Balog, P.; Weber, J.","Synthesis and structures of Li3 Sc F6 and high pressure Li Sc F4, luminescence properties of Li Sc F4, a new phase in the system Li F - Sc F3","Journal of Solid State Chemistry","2005","178","","2620","2625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535840","14.5502","","14.5502","","14.5502","","90","","90","","90","","3080.4","","","","","","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","","- Ba6 Ge25 -","- Ba5.983 Ge25 -","- Ba23.932 Ge100 -","4","0.166667","","Carillo-Cabrera, W.; Grin', Yu.; Borrmann, H.; Baenitz, M.; Paschen, S.; Steglich, F.","Ba6 Ge25: low-temperature Ge-Ge bond breaking during temperature-induced structure transformation","Journal of Solid State Chemistry","2005","178","","715","728","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535899","22.4176","","22.4176","","7.1882","","90","","90","","90","","3612.42","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","Cs5 (Ag4 (C N)4 Cl)2 (Ag Cl4)","","- C8 Ag9 Cl6 Cs5 N8 -","- C8 Ag9 Cl6 Cs4.96 N8 -","- C32 Ag36 Cl24 Cs19.84 N32 -","4","0.125","","Urban, V.; Pretsch, T.; Hartl, H.","From Ag C N chains to a fivefold helix and a fishnet-shaped framework structure","Angew. Chem. Int. ed.","2005","44","","2794","2797","","","","","","","","","","","","","","","","","","","","","","has coordinates","163399","2020-10-21","18:00:00",""
"1535902","20.0593","","20.0593","","20.0593","","90","","90","","90","","8071.37","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Cs5 (Ag (C N)2)4 I","","- C8 Ag4 Cs5 I N8 -","- C8 Ag4 Cs5 I N8 -","- C96 Ag48 Cs60 I12 N96 -","12","0.25","","Urban, V.; Pretsch, T.; Hartl, H.","From Ag C N chains to a fivefold helix and a fishnet-shaped framework structure","Angew. Chem. Int. ed.","2005","44","","2794","2797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535917","3.9908","","3.9908","","22.079","","90","","90","","120","","304.53","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ba2 N -","- Ba2 N -","- Ba6 N3 -","3","0.0833333","","Vajenine, G.V.; Grzechnik, A.; Loa, I.; Syassen, K.; Simon, A.; Hanfland, M.","Interplay of metallic and ionic bonding in layered subnitrides AE2 N (AE = Ca, Sr, or Ba) under high pressure","Comptes Rendus Chimie","2005","8","","1897","1905","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535922","3.553","","3.553","","18.114","","90","","90","","120","","198.032","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ca2 N -","- Ca2 N -","- Ca6 N3 -","3","0.0833333","","Vajenine, G.V.; Loa, I.; Grzechnik, A.; Syassen, K.; Hanfland, M.; Simon, A.","Interplay of metallic and ionic bonding in layered subnitrides AE2 N (AE = Ca, Sr, or Ba) under high pressure","Comptes Rendus Chimie","2005","8","","1897","1905","10.1016/j.crci.2005.02.030","","","","","","","","","","","","","","","","","","","","","has coordinates","282212","2023-04-03","10:59:39",""
"1535927","3.7622","","3.7622","","19.589","","90","","90","","120","","240.119","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Sr2 N","","- N Sr2 -","- N Sr2 -","- N3 Sr6 -","3","0.0833333","","Vajenine, G.V.; Loa, I.; Grzechnik, A.; Syassen, K.; Simon, A.; Hanfland, M.","Interplay of metallic and ionic bonding in layered subnitrides AE2 N (AE = Ca, Sr, or Ba) under high pressure","Comptes Rendus Chimie","2005","8","","1897","1905","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535943","8.9962","","8.9962","","26.521","","90","","90","","90","","2146.39","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Pr2 (Mo6 O21) (H2 O)","","- H2 Mo6 O22 Pr2 -","- Mo6 O22 Pr2 -","- Mo24 O88 Pr8 -","4","0.25","","Naruke, H.; Yamase, T.","The crystal structure of the monohydrate R2 Mo6 O21 * H2 O (R= Pr, Nd, Sm, and Eu): a layer structure containing disordered [Mo2 O7]2- groups","Journal of Solid State Chemistry","2005","178","","702","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","163452","2020-10-21","18:00:00",""
"1535946","15.708","","15.708","","15.708","","90","","90","","90","","3875.81","","","","","","","","","","","","","8","F m -3 m","-F 4 2 3","225","","Cs3 Mn (Nb6 Cl9 O3 (C N)6) (H2 O)0.86","","- C6 H1.72 Cl9 Cs3 Mn N6 Nb6 O3.86 -","- C6 Cl8.76 Cs3.1376 Mn N6 Nb6 O3.86 -","- C24 Cl35.04 Cs12.5504 Mn4 N24 Nb24 O15.44 -","4","0.0208333","","Naumov, N.G.; Cordier, S.; Perrin, C.","An extended open framework based on disordered [Nb6 Cl9 O3 (C N)6]5- cluster units: synthesis and crystal structure of Cs3 Mn [Nb6 Cl9 O3 (C N)6]. 0.6H2 O","Solid State Sciences","2005","7","","1517","1521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535997","9.5427","","10.151","","10.503","","95.97","","104.48","","112.92","","883.876","","","","","","","","","","","","","5","P -1","-P 1","2","","Nd2 Te Mo6 O24 (H2 O)19","","- H38 Mo6 Nd2 O43 Te -","- H38 Mo6 Nd2 O43 Te -","- H38 Mo6 Nd2 O43 Te -","1","0.5","","Charushnikova, I.A.; Auwer, C.D.; Fedoseev, A.M.; Yusov, A.B.","Crystal structure of a new neodymium hexamolybdotellurate, Nd2 Te Mo6 O24 . 19H2 O","Kristallografiya","2005","50","","223","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536053","3.837","","3.837","","7.6834","","90","","90","","90","","113.119","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Ce0.05 Sr0.95 Co O2.77","","- Ce0.05 Co O2.77 Sr0.95 -","- Ce0.05 Co O2.8 Sr0.95 -","- Ce0.1 Co2 O5.6 Sr1.9 -","2","0.125","","James, M.; Wallwork, K.S.; Withers, R.L.; Goossens, D.J.; Colella, M.; Wilson, K.F.; Horvat, J.; Wang, X.-L.","Structure and magnetism in the oxygen-deficient perovskites Ce(1-x) Sr(x) Co O(3-delta) (x >= 0.90)","Materials Research Bulletin","2005","40","","1415","1431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536056","7.6841","","7.6841","","15.4099","","90","","90","","90","","909.884","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ce0.10 Sr0.90 Co O2.80","","- Ce0.1 Co O2.8 Sr0.9 -","- Ce0.1 Co O2.8 Sr0.9 -","- Ce1.6 Co16 O44.8 Sr14.4 -","16","0.5","","James, M.; Wallwork, K.S.; Withers, R.L.; Goossens, D.J.; Colella, M.; Wilson, K.F.; Horvat, J.; Wang, X.-L.","Structure and magnetism in the oxygen-deficient perovskites Ce(1-x) Sr(x) Co O(3-delta) (x >= 0.90)","Materials Research Bulletin","2005","40","","1415","1431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536057","8.036","","8.24","","10.41","","90","","124.73","","90","","566.511","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Mn (H P O3)","","- H Mn O3 P -","- H Mn O3 P -","- H8 Mn8 O24 P8 -","8","2","","Chung, U.-C.; Jubera, V.; Mesa, J.L.; Pizarro, J.L.; Lezama, L.; Arriortua, M.I.; Rojo, T.","Mn (H P O3): a new manganese(II) phosphite with a condensed structure","Journal of Solid State Chemistry","2005","178","","2913","2921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536096","15.309","","13.057","","15.305","","90","","115.75","","90","","2755.52","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Cu I)8 P8.7 As3.3","","- As3.3 Cu8 I8 P8.7 -","- As3.302 Cu8.021 I8 P8.7 -","- As13.208 Cu32.084 I32 P34.8 -","4","1","","Jayasekera, B.; Lo, A.Y.H.; Brock, S.L.; Schurko, R.W.; Nazri, G.A.","Structure-property correlations in solid solutions of (Cu I)8 P(12-x) As(x), 2.4 <= x <= 6.6","Chemistry - A European Journal","2005","11","","3762","3772","","","","","","","","","","","","","","","","","","","","","","has coordinates","163695","2020-10-21","18:00:00",""
"1536110","5.6016","","12.258","","5.6016","","90","","106.08","","90","","369.582","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Sc3 Rh C4","","- C4 Rh Sc3 -","- C4 Rh Sc3 -","- C16 Rh4 Sc12 -","4","0.5","","Vogt, C.; Hoffmann, R.D.; Poettgen, R.","The Superstructure of Sc3 Rh C4 and Sc3 Ir C4","Solid State Sciences","2005","7","","1003","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536114","5.5996","","12.241","","5.5994","","90","","105.35","","90","","370.118","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Sc3 Ir C4","","- C4 Ir Sc3 -","- C4 Ir Sc3 -","- C16 Ir4 Sc12 -","4","0.5","","Vogt, C.; Hoffmann, R.D.; Poettgen, R.","The Superstructure of Sc3 Rh C4 and Sc3 Ir C4","Solid State Sciences","2005","7","","1003","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536139","10.845","","10.25","","7.9624","","90","","115.18","","90","","801.003","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Na Ba (P O2 N H)3","","- Ba H3 N3 Na O6 P3 -","- Ba H3 N3 Na O6 P3 -","- Ba4 H12 N12 Na4 O24 P12 -","4","0.5","","Correll, S.; Sedlmaier, S.; Schnick, W.","Synthesis, crystal structures and properties of the trimetaphosphimates Na Ba (P O2 N H)3, K Sr (P O2 N H)3 4(H2 O) and N H4 Sr (P O2 N H)3 4(H2 O)","Solid State Sciences","2005","7","","1261","1271","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536223","11.574","","12.594","","13.277","","94.59","","112.68","","92.97","","1772.71","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Mo5 Na4 O35 Sb12 -","- Mo5 Na4 O35 Sb12 -","- Mo10 Na8 O70 Sb24 -","2","1","","Wang, Y.; Zhang, H.; Sun, R.; Huang, C.; Yu, X.","Synthesis and characteristics of a new three-dimensional molybdoantimonate Na4Sb12Mo5O35","Journal of Solid State Chemistry","2005","178","","902","907","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536232","7.2856","","9.8951","","6.7627","","90","","93.12","","90","","486.812","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K Cu Ga F6","","- Cu F6 Ga K -","- Cu F6 Ga K -","- Cu4 F24 Ga4 K4 -","4","1","","Dahlke, P.; Babel, D.; Pebler, J.","Struktur- und magnetochemische Untersuchungen an K Cu Ga F6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","115","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536256","20.01","","11.6445","","20.4136","","90","","107.27","","90","","4542.06","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bi46 V8 O89","","- Bi46 O89 V8 -","- Bi46 O89 V8 -","- Bi92 O178 V16 -","2","0.5","","Darriet, J.; Launay, J.C.; Zuniga, F.J.","Crystal structures of the ionic conductors Bi46 M8 O89 (M = P, V) related to the fluorite-type structure","Journal of Solid State Chemistry","2005","178","","1753","1764","","","","","","","","","","","","","","","","","","","","","","has coordinates","163903","2020-10-21","18:00:00",""
"1536258","19.6073","","11.4181","","21.1119","","90","","112.14","","90","","4377.99","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Bi46 P8 O89","","- Bi46 O89 P8 -","- Bi46 O89 P8 -","- Bi92 O178 P16 -","2","0.25","","Darriet, J.; Launay, J.C.; Zuniga, F.J.","Crystal structures of the ionic conductors Bi46 M8 O89 (M = P, V) related to the fluorite-type structure","Journal of Solid State Chemistry","2005","178","","1753","1764","","","","","","","","","","","","","","","","","","","","","","has coordinates","163907","2020-10-21","18:00:00",""
"1536285","7.7667","","11.3513","","10.1368","","90","","90","","90","","893.682","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Eu (N (C N)2)3","","- C6 Eu N9 -","- C6 Eu N9 -","- C24 Eu4 N36 -","4","0.25","","Juergens, B.; Irran, E.; Schnick, W.","Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu","Journal of Solid State Chemistry","2005","178","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536287","7.813","","11.3864","","10.1204","","90","","90","","90","","900.33","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sm (N (C N)2)3","","- C6 N9 Sm -","- C6 N9 Sm -","- C24 N36 Sm4 -","4","0.25","","Juergens, B.; Irran, E.; Schnick, W.","Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu","Journal of Solid State Chemistry","2005","178","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536290","7.87787","","11.4459","","10.1554","","90","","90","","90","","915.705","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nd (N (C N)2)3","","- C6 N9 Nd -","- C6 N9 Nd -","- C24 N36 Nd4 -","4","0.25","","Juergens, B.; Irran, E.; Schnick, W.","Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu","Journal of Solid State Chemistry","2005","178","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536293","7.9045","","11.4619","","10.1674","","90","","90","","90","","921.172","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pr (N (C N)2)3","","- C6 N9 Pr -","- C6 N9 Pr -","- C24 N36 Pr4 -","4","0.25","","Juergens, B.; Schnick, W.; Irran, E.","Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu","Journal of Solid State Chemistry","2005","178","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536296","7.94935","","11.5215","","10.2096","","90","","90","","90","","935.081","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ce (N (C N)2)3","","- C6 Ce N9 -","- C6 Ce N9 -","- C24 Ce4 N36 -","4","0.25","","Juergens, B.; Irran, E.; Schnick, W.","Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu","Journal of Solid State Chemistry","2005","178","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536299","7.9988","","11.5822","","10.2668","","90","","90","","90","","951.154","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La (N (C N)2)3","","- C6 La N9 -","- C6 La N9 -","- C24 La4 N36 -","4","0.25","","Juergens, B.; Irran, E.; Schnick, W.","Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu","Journal of Solid State Chemistry","2005","178","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536321","13.35","","7.765","","6.307","","90","","90","","90","","653.801","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge Mn2 Se4 -","- Ge Mn2 Se4 -","- Ge4 Mn8 Se16 -","4","0.5","","Deiseroth, H.J.; Kremer, R.K.; Aleksandrov, K.","Structural and magnetic properties of Mn2 Ge Se4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","448","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536394","9.7575","","6.75649","","7.96884","","90","","115.384","","90","","474.637","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(N H4) (Mn2 Mo2 O8 (O H) (H2 O))","","- H7 Mn2 Mo2 N O10 -","- Mn2 Mo2 N O10 -","- Mn4 Mo4 N2 O20 -","2","0.25","","Palacio, L.A.; Echavarria, A.; Hoyos, D.A.; Saldarriaga, C.","Synthesis, characterization and structural data of an ammonium manganomolybdate type Sigma(X)","Solid State Sciences","2005","7","","1043","1048","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536439","5.69484","","5.69484","","7.33013","","90","","90","","120","","205.876","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","K2 C O3","","- C K2 O2.4999 -","- C K2 O2.99988 -","- C2 K4 O5.99976 -","2","0.0833333","","Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.","Crystal Structures and Topochemical Aspects of the High-Temperature Phases and Decomposition Products of the Alkali-Metal Oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536440","13.3005","","29.006","","9.8809","","90","","91.76","","90","","3810.2","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","C60 Se8 (C S2)","","- C61 S2 Se8 -","- C61 S2 Se8 -","- C244 S8 Se32 -","4","1","","Panthoefer, M.; Shopova, D.; Jansen, M.","Crystal structure and stablility of the fullerene-chalcogene co-Crystal C60/Se8/CS2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","1387","1390","","","","","","","","","","","","","","","","","","","","","","has coordinates","164154","2020-10-21","18:00:00",""
"1536441","5.89596","","5.89596","","7.80268","","90","","90","","120","","234.9","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb2 (C O3)","","- C O3 Rb2 -","- C O2.99988 Rb2 -","- C2 O5.99976 Rb4 -","2","0.0833333","","Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.","Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536443","9.6957","","14.046","","20.238","","90","","90","","90","","2756.13","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cs (W6 C Cl18) (C H3 O H)","","- C2 H4 Cl18 Cs O W6 -","- C2 H4 Cl18 Cs O W6 -","- C8 H16 Cl72 Cs4 O4 W24 -","4","1","","Weisser, M.; Meyer, H.J.; Stroebele, M.","A synthesis route for carbon-centered triprismo-hexatungsten cluster compounds and the crystal structure of Cs [W6 C Cl18] * (C H3 O H)","Comptes Rendus Chimie","2005","8","","1820","1826","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536445","7.684","","5.8912","","10.1437","","90","","90","","90","","459.185","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (C O3)","","- C O3 Rb2 -","- C O3 Rb2 -","- C4 O12 Rb8 -","4","0.5","","Dinnebier, R.E.; Hanson, J.C.; Jansen, M.; Vensky, S.","Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536447","8.836","","8.836","","17.84","","90","","90","","120","","1206.25","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Na (W6 N Cl18)","","- Cl18 N Na W6 -","- Cl18 N Na W6 -","- Cl36 N2 Na2 W12 -","2","0.166667","","Welch, E.J.; Yu, C.L.; Crawford, N.R.M.; Long, J.R.","Synthesis and characterization of the nitrogen-centered trigonal prismatic clusters [W6 N Cl18](n-) (n = 1-3)","Angew. Chem. Int. ed.","2005","44","","2549","2553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536449","5.8745","","10.129","","7.30725","","90","","97.2921","","90","","431.285","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb2 (C O3)","","- C O3 Rb2 -","- C O3 Rb2 -","- C4 O12 Rb8 -","4","1","","Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.","Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536505","8.8594","","5.3265","","7.0493","","90","","90","","90","","332.654","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Be F4 -","- Ba Be F4 -","- Ba4 Be4 F16 -","4","0.5","","Werner, F.; Kubel, F.","Barite-type Ba(BeF~4~)~x~(SO~4~)~1-x~ (x=1 and approx.0.5)","Journal of Chemical Crystallography","2005","35","6","457","462","10.1007/s10870-005-2220-x","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536509","8.8657","","5.3902","","7.1007","","90","","90","","90","","339.328","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ba (Be F4)0.535 (S O4)0.465","","- Ba Be0.535 F2.14 O1.86 S0.465 -","- Ba Be0.535 F2.14 O1.86 S0.465 -","- Ba4 Be2.14 F8.56 O7.44 S1.86 -","4","0.5","","Werner, F.; Kubel, F.","Barite-type Ba(BeF~4~)~x~(SO~4~)~1-x~ (x=1 and approx.0.5)","Journal of Chemical Crystallography","2005","35","6","457","462","10.1007/s10870-005-2220-x","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536645","15.3255","","15.3255","","20.7565","","90","","90","","90","","4875.1","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca14 Mn P11 -","- Ca14 Mn P11 -","- Ca112 Mn8 P88 -","8","0.25","","Kim, H.; Kauzlarich, S.M.","Structure and magnetic properties of Ca14MnP11","Journal of Solid State Chemistry","2005","178","","1935","1939","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536653","10.804","","10.804","","16.258","","90","","90","","120","","1643.49","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Cs2 Mo6 I14","","- Cs2 I14 Mo6 -","- Cs2 I14 Mo6 -","- Cs4 I28 Mo12 -","2","0.166667","","Kirakci, K.; Perrin, C.; Cordier, S.","Synthesis and characterization of Cs2 Mo6 X14 (X = Br or I) hexamolybdenum cluster halides: efficient Mo6 cluster precursors for solution chemistry synthesis","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","411","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","164449","2020-10-21","18:00:00",""
"1536656","10.1925","","10.1925","","15.069","","90","","90","","120","","1355.74","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Cs2 Mo6 Br14","","- Br14 Cs2 Mo6 -","- Br14 Cs2.036 Mo6 -","- Br28 Cs4.072 Mo12 -","2","0.166667","","Kirakci, K.; Cordier, S.; Perrin, C.","Synthesis and characterization of Cs2 Mo6 X14 (X = Br or I) hexamolybdenum cluster halides: efficient Mo6 cluster precursors for solution chemistry synthesis","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","411","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","164453","2020-10-21","18:00:00",""
"1536674","14.9989","","6.4183","","15.1365","","90","","117.629","","90","","1290.99","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","K2 Ta2 S10","","- K2 S10 Ta2 -","- K2 S10 Ta2 -","- K8 S40 Ta8 -","4","1","","Wu, Y.; Naether, C.; Bensch, W.","Synthesis, crystal structure and properties of K2 Ta2 S10: A novel ternary tantalum polysulfide with Ta S8 polyhedra forming infinite anionic chains","Journal of Solid State Chemistry","2005","178","","1569","1574","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536677","14.5408","","12.6577","","17.57","","90","","94.791","","90","","3222.51","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K4.04 Ba1.96 (Nb2 S11)2","","- Ba1.96 K4.04 Nb4 S22 -","- Ba1.957 K4.043 Nb4 S22 -","- Ba7.828 K16.172 Nb16 S88 -","4","1","","Wu, Y.; Naether, C.; Lehnert, N.; Bensch, W.","Synthesis, crystal structure and properties of K4 Ba2 (Nb2 S11)2","Solid State Sciences","2005","7","","1062","1069","","","","","","","","","","","","","","","","","","","","","","has coordinates","164490","2020-10-21","18:00:00",""
"1536738","6.5283","","8.8754","","7.6798","","90","","98.82","","90","","439.716","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Fe2 (H2 O)4 (Se O3)2)","","- Fe2 H8 O10 Se2 -","- Fe2 O10 Se2 -","- Fe4 O20 Se4 -","2","0.5","","Xiao, D.; An, H.; Wang, E.; Xu, L.","Synthesis and structure of a novel three-dimensional metal selenite containing multidirectional intersecting double helical chains: [Fe2 (H2 O)4 (Se O3)2]","Journal of Molecular Structure","2005","740","","249","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536761","5.79919","","5.83756","","8.21749","","90","","90.1945","","90","","278.186","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ca Sr2 (Te O6)","","- Ca O6 Sr2 Te -","- Ca O6 Sr2 Te -","- Ca2 O12 Sr4 Te2 -","2","0.5","","Prior, T.J.; Battle, P.D.; Couper, V.J.","Structural chemistry of the cation-ordered perovskites Sr2 Ca Mo1-x Tex O6 (0 <= x <= 1)","Journal of Solid State Chemistry","2005","178","","153","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536764","5.76228","","5.8479","","8.18707","","90","","90.1941","","90","","275.88","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ca Sr2 (Mo O6)","","- Ca Mo O6 Sr2 -","- Ca Mo O6 Sr2 -","- Ca2 Mo2 O12 Sr4 -","2","0.5","","Prior, T.J.; Couper, V.J.; Battle, P.D.","Structural chemistry of the cation-ordered perovskites Sr2 Ca Mo1-x Tex O6 (0 <= x <= 1)","Journal of Solid State Chemistry","2005","178","","153","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536833","12.8306","","14.9701","","21.702","","79.23","","89.227","","86.51","","4087.39","","","","","","","","","","","","","5","P -1","-P 1","2","","Na16 ((Y4 (O H)4 (H2 O)8) (P2 W15 O56)2) (H2 O)42","","- Na4 O158 P4 W30 Y4 -","- Na4 O158 P4 W30 Y4 -","- Na4 O158 P4 W30 Y4 -","1","0.5","","Fang Xikui; Hill, C.L.; Anderson, T.M.; Benelli, C.","Polyoxometalate-supported Y- and YbIII-hydroxo/oxo clusters from carbonate-assisted hydrolysis","Chemistry - A European Journal","2005","11","","712","718","","","","","","","","","","","","","","","","","","","","","","has coordinates","164713","2020-10-21","18:00:00",""
"1536849","9.1597","","15.7586","","18.4332","","90","","95.601","","90","","2648.02","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Rb3 Er3 (P S4)4","","- Er3 P4 Rb3 S16 -","- Er3 P4 Rb3 S16 -","- Er12 P16 Rb12 S64 -","4","1","","Komm, T.; Schleid, T.","The first rubidium rare-earth(III) thiophosphates: Rb3 M3 [P S4] (M = Pr, Er)","Journal of Solid State Chemistry","2005","178","","454","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536853","9.2679","","10.5083","","14.5328","","84.329","","88.008","","80.704","","1389.67","","","","","","","","","","","","","4","P -1","-P 1","2","","Rb3 Pr3 (P S4)4","","- P4 Pr3 Rb3 S16 -","- P4 Pr3 Rb3 S16 -","- P8 Pr6 Rb6 S32 -","2","1","","Komm, T.; Schleid, T.","The first rubidium rare-earth(III) thiophosphates: Rb3 M3 [P S4] (M = Pr, Er)","Journal of Solid State Chemistry","2005","178","","454","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","164740","2020-10-21","18:00:00",""
"1536885","12.258","","7.1024","","13.391","","90","","104.25","","90","","1129.96","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Nd2 (Se O4) (Se O3)2 (H2 O)2","","- H4 Nd2 O12 Se3 -","- Nd2 O12 Se3 -","- Nd8 O48 Se12 -","4","0.5","","Feng, M.-L.; Mao, J.-G.","Synthesis and crystal structure of a new neodymium(III) selenate-selenite: Nd2 (Se O4) (Se O3)2 (H2 O)2","Journal of Alloys Compd.","2005","388","","23","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","164769","2020-10-21","18:00:00",""
"1536886","5.231","","8.203","","16.216","","90","","91.73","","90","","695.51","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(F S (O H)2) (Sb F6)","","- F7 H2 O2 S Sb -","- F7 O2 S Sb -","- F28 O8 S4 Sb4 -","4","1","","Kornath, A.; Seelbinder, R.; Minkwitz, R.","Synthesis of Fluorodihydroxysulfonium Hexafluoroantimonate [F S (O H)2]+ [Sb F6]-","Angew. Chem. Int. ed.","2005","44","","973","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536889","7.329","","11.013","","22.802","","90","","90","","90","","1840.45","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","La (Se2 O5) (H Se O3) (H2 O)2","","- H5 La O10 Se3 -","- H La O10 Se3 -","- H8 La8 O80 Se24 -","8","1","","Feng, M.-L.; Mao, J.-G.","Synthesis, crystal structure and characterization of a new layered lanthanum(III) diselenite hydrogenselenite: La (Se2 O5) (H Se O3) . H2 O","Journal of Alloys Compd.","2005","391","","33","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536927","10.7254","","10.7254","","10.7254","","90","","90","","90","","1233.79","","","","","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Br8 P22 Sn16.8 Zn7.2 -","- Br8 P22 Sn16.776 Zn7.2 -","- Br8 P22 Sn16.776 Zn7.2 -","1","0.0208333","","Kovnir, K.A.; Shatruk, M.M.; Baenitz, M.; Presnyakov, I.A.; Dikarev, E.V.; Reshetova, L.N.; Baitinger, M.; Shevelkov, A.V.; Schnelle, W.; Grin', Yu.; Haarmann, F.","Novel compounds Sn20 Zn4 P22-nI8 (n = 1.2), Sn17 Zn7 P22 I8, and Sn17 Zn7 P22 Br8: Synthesis, properties, and special features of their clathrate-like crystal structures","Solid State Sciences","2005","7","","957","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536931","10.8425","","10.8425","","10.8425","","90","","90","","90","","1274.64","","","","","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Sn17.2 Zn6.8 I8 P22","","- I8 P22 Sn17.2 Zn6.8 -","- I8 P22 Sn17.184 Zn6.816 -","- I8 P22 Sn17.184 Zn6.816 -","1","0.0208333","","Kovnir, K.A.; Shatruk, M.M.; Baitinger, M.; Presnyakov, I.A.; Reshetova, L.N.; Dikarev, E.V.; Grin', Yu.; Haarmann, F.; Baenitz, M.; Schnelle, W.; Shevelkov, A.V.","Novel compounds Sn20 Zn4 P22-nI8 (n= 1.2), Sn17 Zn7 P22 I8, and Sn17 Zn7 P22 Br8: Synthesis, properties, and special features of their clathrate-like crystal structures","Solid State Sciences","2005","7","","957","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","164832","2020-10-21","18:00:00",""
"1536934","10.881","","10.881","","10.881","","90","","90","","90","","1288.27","","","","","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Sn20.03 Zn3.96 P20.83 I8","","- I8 P20.83 Sn20.03 Zn3.96 -","- I8 P20.8 Sn19.92 Zn4.08 -","- I8 P20.8 Sn19.92 Zn4.08 -","1","0.0208333","","Kovnir, K.A.; Shatruk, M.M.; Haarmann, F.; Presnyakov, I.A.; Reshetova, L.N.; Grin', Yu.; Baenitz, M.; Baitinger, M.; Dikarev, E.V.; Schnelle, W.; Shevelkov, A.V.","Novel compounds Sn20 Zn4 P22-nI8 (n = 1.2), Sn17 Zn7 P22 I8, and Sn17 Zn7 P22 Br8: Synthesis, properties, and special features of their clathrate-like crystal structures","Solid State Sciences","2005","7","","957","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","164836","2020-10-21","18:00:00",""
"1536963","7.563","","7.563","","4.381","","90","","90","","90","","250.589","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ce2 Ge2 In -","- Ce2 Ge2 In -","- Ce4 Ge4 In2 -","2","0.125","","Zaremba, V.I.; Nychyporuk, G. P.; Johrendt, D.; Rodewald, U.C.; Poettgen, R.","Structure and Chemical Bonding of Ce2 Ge2 In and Ce2 Pt2 In","Solid State Sciences","2005","7","","998","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536971","7.2786","","7.2786","","4.2816","","90","","90","","90","","226.831","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Sm2.022 Mg0.978 Si2","","- Mg0.978 Si2 Sm2.022 -","- Mg0.978 Si2 Sm2.022 -","- Mg1.956 Si4 Sm4.044 -","2","0.125","","Kraft, R.; Poettgen, R.","Syntheses and crystal structure of the ternary silicides RE2 Si2 Mg (RE = Y, La-Nd, Sm, Gd-Lu) and structure refinement of Dy5 Si3","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","1707","1713","","","","","","","","","","","","","","","","","","","","","","has coordinates","164892","2020-10-21","18:00:00",""
"1536974","7.1385","","7.1385","","4.1907","","90","","90","","90","","213.55","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Dy2 Mg Si2 -","- Dy2 Mg Si2 -","- Dy4 Mg2 Si4 -","2","0.125","","Kraft, R.; Poettgen, R.","Syntheses and crystal structure of the ternary silicides RE2 Si2 Mg (RE = Y, La-Nd, Sm, Gd-Lu) and structure refinement of Dy5 Si3","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","1707","1713","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536977","8.41","","8.41","","6.313","","90","","90","","120","","386.686","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Dy5 Si3 -","- Dy5 Si3 -","- Dy10 Si6 -","2","0.0833333","","Kraft, R.; Poettgen, R.","Syntheses and crystal structure of the ternary silicides RE2 Si2 Mg (RE = Y, La-Nd, Sm, Gd-Lu) and structure refinement of Dy5 Si3","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","1707","1713","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537003","4.334","","18.03","","29.83","","90","","90","","90","","2330.98","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Gd Ni In2","","- Gd In2 Ni -","- Gd In2 Ni -","- Gd28 In56 Ni28 -","28","1.75","","Zaremba, V.I.; Hlukhyy, V.; Poettgen, R.","The high-temperature modification of Gd Ni In2 - an intergrowth structure of Mg Cu Al2 related slabs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","327","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537045","7.814","","7.814","","3.838","","90","","90","","120","","202.947","","","","","","","","","","","","","3","P -6","P -6","174","","Gd3 Rh1.94 In4","","- Gd3 In4 Rh1.94 -","- Gd3 In4 Rh1.94 -","- Gd3 In4 Rh1.94 -","1","0.166667","","Rodewald, U.C.; Lukachuk, M.; Hoffmann, R.D.; Poettgen, R.","Syntheses and Structure of Gd3 Rh1.94 0(7) In4","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2005","136","","1985","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","165019","2020-10-21","18:00:00",""
"1537059","6.872","","6.872","","11.706","","90","","90","","90","","552.809","","","","","","","","","","","","","4","P 42/m","-P 4c","84","","K2 Li (N H2)3","","- H6 K2 Li N3 -","- H6 K2 Li N3 -","- H24 K8 Li4 N12 -","4","0.5","","Kraus, F.; Korber, N.","K2 Li (N H2)3 and K2 Na (N H2)3 - Synthesis and crystal structure of two crystal-chemically isotypic mixed-cationic amides","Journal of Solid State Chemistry","2005","178","","1241","1246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537061","7.0044","","7.0044","","12.3617","","90","","90","","90","","606.485","","","","","","","","","","","","","4","P 42/m","-P 4c","84","","K2 Na (N H2)3","","- H6 K2 N3 Na -","- H6 K2 N3 Na -","- H24 K8 N12 Na4 -","4","0.5","","Kraus, F.; Korber, N.","K2 Li (N H2)3 and K2 Na (N H2)3 - Synthesis and crystal structure of two crystal-chemically isotypic mixed-cationic amides","Journal of Solid State Chemistry","2005","178","","1241","1246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537063","8.4787","","13.272","","17.139","","88.564","","89.773","","81.63","","1907.5","","","","","","","","","","","","","5","P -1","-P 1","2","","Cs (Na (N H3)6)(B10 H10) (N H3)","","- B10 Cs H31 N7 Na -","- B10 Cs H31 N7 Na -","- B40 Cs4 H124 N28 Na4 -","4","2","","Kraus, F.; Albert, B.","Synthesis and crystal structure of cesium hexamminesodium decahydro-closo-decaboranate(10)-ammonia(1/1), Cs [Na (N H3)6](B10 H10) . N H3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","152","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537075","30.949","","4.3042","","19.675","","90","","90","","90","","2620.92","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La7 Sb11 Br4","","- Br4 La7 Sb11 -","- Br4 La7 Sb11 -","- Br16 La28 Sb44 -","4","0.5","","Zheng, C.; Li, S.; Mattausch, H.J.","Fused stars and nano-stripes in rare earth halide compound La7 Sb11 Br4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","421","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","165062","2020-10-21","18:00:00",""
"1537086","6.4418","","10.4922","","12.8243","","90","","104.122","","90","","840.582","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn2 (P O2 N H)4 (H2 O)8","","- H20 N4 O16 P4 Zn2 -","- H20 N4 O16 P4 Zn2 -","- H40 N8 O32 P8 Zn4 -","2","0.5","","Roemer, S.R.; Schnick, W.","Synthesis, crystal structures and properties of the tetrametaphosphimates M(II)2 (P O2 NH)4 * 8(H2 O) with M= Mg, Mn, Co, Zn","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","31","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","165091","2020-10-21","18:00:00",""
"1537089","6.4541","","10.501","","12.833","","90","","104.66","","90","","841.435","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mg2 (P O2 N H)4 (H2 O)8","","- H20 Mg2 N4 O16 P4 -","- H20 Mg2 N4 O16 P4 -","- H40 Mg4 N8 O32 P8 -","2","0.5","","Roemer, S.R.; Schnick, W.","Synthesis, crystal structures and properties of the tetrametaphosphimates M(II)2 (P O2 NH)4 * 8(H2 O) with M= Mg, Mn, Co, Zn","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","31","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","165095","2020-10-21","18:00:00",""
"1537091","6.4334","","10.49","","12.867","","90","","104.28","","90","","841.517","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Co2 (P O2 N H)4 (H2 O)8","","- Co2 H20 N4 O16 P4 -","- Co2 H20 N4 O16 P4 -","- Co4 H40 N8 O32 P8 -","2","0.5","","Roemer, S.R.; Schnick, W.","Synthesis, crystal structures and properties of the tetrametaphosphimates M(II)2 (P O2 NH)4 * 8(H2 O) with M= Mg, Mn, Co, Zn","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","31","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537095","6.4869","","10.631","","13.108","","90","","103.93","","90","","877.372","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mn2 (P O2 N H)4 (H2 O)8","","- H20 Mn2 N4 O16 P4 -","- H20 Mn2 N4 O16 P4 -","- H40 Mn4 N8 O32 P8 -","2","0.5","","Roemer, S.R.; Schnick, W.","Synthesis, crystal structures and properties of the tetrametaphosphimates M(II)2 (P O2 NH)4 . 8H2 O with M= Mg, Mn, Co, Zn","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","31","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","165103","2020-10-21","18:00:00",""
"1537120","4.0935","","25.984","","4.1746","","90","","90","","90","","444.033","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Ce3 Ni3.10 Si6.90","","- Ce3 Ni3.1 Si6.9 -","- Ce3 Ni3.124 Si6.876 -","- Ce6 Ni6.248 Si13.752 -","2","0.125","","Fritsch, V.; Bobev, S.; Thompson, J.D.; Sarrao, J.L.","Antiferromagnetic order in Ce3 Ni(2+x) Si(8-x)","Journal of Alloys Compd.","2005","388","","28","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","165137","2020-10-21","18:00:00",""
"1537123","4.1257","","26.167","","4.2186","","90","","90","","90","","455.428","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- La3 Ni3 Si7 -","- La3 Ni3.01 Si6.99 -","- La6 Ni6.02 Si13.98 -","2","0.125","","Fritsch, V.; Bobev, S.; Thompson, J.D.; Sarrao, J.L.","Antiferromagnetic order in Ce3 Ni(2+x) Si(8-x)","Journal of Alloys Compd.","2005","388","","28","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537164","23.189","","7.2489","","6.9376","","90","","90","","90","","1166.17","","","","","","","","","","","","","7","C m m m","-C 2 2","65","","Cs4.34 Na1.90 (Ti (Ti0.80 Nb0.18)4 Si12 O34 (O H)5) (H2 O)5.37","","- Cs4.34 H15.74 Na1.9 Nb0.72 O44.37 Si12 Ti4.2 -","- Cs4.3448 Na1.92 Nb0.72 O44.376 Si12 Ti4.1832 -","- Cs4.3448 Na1.92 Nb0.72 O44.376 Si12 Ti4.1832 -","1","0.0625","","Zubkova, N.V.; Giester, G.; Pushcharovsky, D.Yu.; Pekov, I.V.; Tillmanns, E.; Chukanov, N.V.; Turchkova, A.G.","Crystal structures of K- and Cs-exchanged forms of Zorite","Kristallografiya","2005","50","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537168","23.262","","7.247","","6.966","","90","","90","","90","","1174.33","","","","","","","","","","","","","7","C m m m","-C 2 2","65","","K4.75 Na1.82 (Ti (Ti0.79 Nb0.20)4 Si12 O34 (O H)5.2) (H2 O)10.62","","- H26.44 K4.75 Na1.82 Nb0.8 O49.82 Si12 Ti4.16 -","- K4.7472 Na1.8244 Nb0.8 O49.8176 Si12 Ti4.1588 -","- K4.7472 Na1.8244 Nb0.8 O49.8176 Si12 Ti4.1588 -","1","0.0625","","Zubkova, N.V.; Tillmanns, E.; Pushcharovsky, D.Yu.; Pekov, I.V.; Turchkova, A.G.; Giester, G.; Chukanov, N.V.","Crystal structures of K- and Cs-exchanged forms of Zorite","Kristallografiya","2005","50","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","165191","2020-10-21","18:00:00",""
"1537221","5.922","","18.396","","11.864","","90","","90","","90","","1292.48","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Pb2 Bi (V0.84 P0.16) O6","","- Bi O6 P0.16 Pb2 V0.84 -","- Bi O6 P0.16 Pb2 V0.84 -","- Bi8 O48 P1.28 Pb16 V6.72 -","8","1","","Labidi, O.; Conflant, P.; Roussel, P.; Drache, M.; Huve, M.; Wignacourt, J.P.","Stabilization of a new delta' polymorph in P-substituted Pb2 Bi V O6: Single crystal structure of Pb2 Bi (V0.84 P0.16) O6 and conduction properties of related materials","Journal of Solid State Chemistry","2005","178","","2247","2255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537251","18.9915","","18.9915","","12.5935","","90","","90","","120","","3933.65","","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","K2 (H2 O)4 H2 Si Mo12 O40 (H2 O)7","","- H24 K2 Mo12 O51 Si -","- K2 Mo12 O51 Si -","- K6 Mo36 O153 Si3 -","3","0.5","","Gao, S.; Cao, R.; Bi, W.; Lin, Z.; Li, X.","Porous structures constructed from [Si Mo12 O40] and [Si W12 O40] Keggin units","Microporous and Mesoporous Materials","2005","80","","139","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537254","18.93","","18.93","","12.491","","90","","90","","120","","3876.4","","","","","","","","","","","","","6","P 32 2 1","P 32 2""","154","","K2 Na2 (H2 O)4 Si W12 O40 (H2 O)4","","- H16 K2 Na2 O48 Si W12 -","- K2 Na2 O48 Si W12 -","- K6 Na6 O144 Si3 W36 -","3","0.5","","Gao, S.; Lin, Z.; Cao, R.; Bi, W.; Li, X.","Porous structures constructed from [Si Mo12 O40] and [Si W12 O40] Keggin units","Microporous and Mesoporous Materials","2005","80","","139","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537258","14.2085","","14.2085","","12.4863","","90","","90","","90","","2520.75","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","Na4 (H2 O)8 Si Mo12 O40 (H2 O)6","","- H28 Mo12 Na4 O54 Si -","- Mo12 Na4 O54 Si -","- Mo24 Na8 O108 Si2 -","2","0.125","","Gao, S.; Cao, R.; Bi, W.; Li, X.; Lin, Z.","Porous structures constructed from [Si Mo12 O40] and [Si W12 O40] Keggin units","Microporous and Mesoporous Materials","2005","80","","139","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537268","7.526","","7.526","","3.8638","","90","","90","","120","","189.528","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Gd Rh Sn -","- Gd Rh Sn -","- Gd3 Rh3 Sn3 -","3","0.25","","Latka, K.; Kmiec, R.; Kruk, R.; Poettgen, R.; Fickenscher, T.; Hoffmann, R.D.; Pacyna, A.W.","Structure, magnetic properties and Moessbauer spectroscopy of Gd Rh Sn","Journal of Solid State Chemistry","2005","178","","2077","2090","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1544345","5.3452","0.0002","7.9323","0.0003","6.0292","0.0003","90","","90","","90","","255.636","0.019","","","","","","","","","","","","3","C m c m","-C 2c 2","63","epsilon-Li2SO4 7.2 GPa and 723 K D.C.","","","- Li2 O4 S -","- Li2 O4 S -","- Li8 O16 S4 -","4","0.25","","Parfitt, D.C.; Keen, D.A.; Hull, S.; Crichton, W.A.; Mezouar, M.; Wilson, M.; Madden, P.A.","High-pressure forms of lithium sulphate: structural determination and computer simulation Sample: P = 5.2 GPa and T = 723 K","Physical Review B","2005","72","","054121","054127","10.1103/PhysRevB.72.054121","","","","","","","","","","","","","","","","","","","","","has coordinates","187514","2020-10-21","18:00:00",""
"1544611","13.4104","0.00009","13.4104","0.00009","13.4104","0.00009","90","","90","","90","","2411.71","0.03","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","melanophlogite beta phase at 84 C","","melanophlogite beta phase at 84 C","- O2 Si -","- M0.173913 O2 Si -","- M8 O92 Si46 -","46","0.958333","","Nakagawa, T.; Kihara, K.; Fujinami, S.","X-ray studies of structural changes in melanophlogite with varying temperature : Sample at 84 C","Journal of Mineralogical and Petrological Sciences","2005","100","","247","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","188554","2020-10-21","18:00:00",""
"1544612","26.786","0.002","26.786","0.002","13.3351","0.0004","90","","90","","90","","9567.8","1.1","","","","","","","","","","","","2","?","?","","melanophlogite alpha phase at -50 C","","melanophlogite alpha phase at -50 C","- O2 Si -","- M0.173913 O2 Si -","- M32 O368 Si184 -","184","","","Nakagawa, T.; Kihara, K.; Fujinami, S.","X-ray studies of structural changes in melanophlogite with varying temperature : Sample at -50 C","Journal of Mineralogical and Petrological Sciences","2005","100","","247","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","188555","2020-10-21","18:00:00",""
"1544613","26.808","0.003","26.808","0.003","13.394","0.004","90","","90","","90","","9626","3","","","","","","","","","","","","2","?","?","","melanophlogite alpha phase at 60 C","","melanophlogite alpha phase at 60 C","- O2 Si -","- M0.173913 O2 Si -","- M32 O368 Si184 -","184","","","Nakagawa, T.; Kihara, K.; Fujinami, S.","X-ray studies of structural changes in melanophlogite with varying temperature : Sample at 60 C","Journal of Mineralogical and Petrological Sciences","2005","100","","247","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","188556","2020-10-21","18:00:00",""
"1544846","7.8228","0.0002","7.8228","0.0002","5.0271","0.0001","90","","90","","90","","307.639","0.013","","","","","","","","","","","","6","P -4 21 m","P -4 2ab","113","(Ca1.53 Na0.47)(Mg0.52Fe3+0.49)Si1.99O7","","synthetic melilite","- Ca1.53 Fe0.49 Mg0.52 Na0.47 O7 Si1.99 -","- Ca1.53 Fe0.485 Mg0.515 Na0.47 O7 Si2 -","- Ca3.06 Fe0.97 Mg1.03 Na0.94 O14 Si4 -","2","0.25","","Akasaka, M.; Nagashima, M.; Makino, K.; Ohashi, H.","Distribution of Fe3+ in a synthetic (Ca,Na)2(Mg,Fe3+)Si2O7-melilite: 57Fe Mossbauer and X-ray Rietveld studies","Journal of Mineralogical and Petrological Sciences","2005","100","","229","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","189336","2020-10-21","18:00:00",""
"1548498","28.309","0.0013","24.2881","0.0011","10.6225","0.0005","90","","95.253","0.001","90","","7273.1","0.6","295","2","295","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C114 H82 Au4 F12 N4 O12 P4 S4 -","- C114 H82 Au4 F12 N4 O12 P4 S4 -","- C228 H164 Au8 F24 N8 O24 P8 S8 -","2","0.25","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.0945","0.0659","","","0.2158","0.2375","","","","","","1.04","","","","has coordinates","204399","2020-10-21","18:00:00",""
"1548499","27.4266","0.0017","21.6592","0.0015","23.647","0.0016","90","","90","","90","","14047.2","1.6","295","2","295","2","","","","","","","","9","P n n m","-P 2 2n","58","","","","- C118 H90 Au4 Br F12 N4 O13 P4 S4 -","- C118 H90 Au4 Br F12 N4 O13 P4 S4 -","- C472 H360 Au16 Br4 F48 N16 O52 P16 S16 -","4","0.5","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.1191","0.066","","","0.2076","0.2444","","","","","","1.047","","","","has coordinates","204400","2020-10-21","18:00:00",""
"1548500","28.242","0.004","24.405","0.004","10.3082","0.0016","90","","96.392","0.003","90","","7060.7","1.9","193","2","193","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C100 H72 Au4 F12 N4 O16.8 P4 S4 -","- C100 H72 Au4 F12 N4 O16.8 P4 S4 -","- C200 H144 Au8 F24 N8 O33.6 P8 S8 -","2","0.25","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.1365","0.0748","","","0.2187","0.2426","","","","","","0.968","","","","has coordinates,has disorder","204402","2020-10-21","18:00:00",""
"1548501","28.406","0.002","24.235","0.0016","10.7465","0.0008","90","","94.496","0.002","90","","7375.3","0.9","295","2","295","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C117 H84 Au4 Cl2 F12 N4 O12 P4 S4 -","- C117 H80.6 Au4 Cl2 F12 N4 O12 P4 S4 -","- C234 H161.2 Au8 Cl4 F24 N8 O24 P8 S8 -","2","0.25","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.1452","0.0705","","","0.1948","0.2321","","","","","","0.941","","","","has coordinates","204403","2020-10-21","18:00:00",""
"1548502","21.247","0.003","18.09","0.002","20.065","0.002","90","","90","","90","","7712.1","1.6","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C40 H33 Au2 N2 O6.5 P2 -","- C40 H33 Au2 N2 O6.5 P2 -","- C320 H264 Au16 N16 O52 P16 -","8","1","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.0753","0.053","","","0.1215","0.1323","","","","","","1.055","","","","has coordinates,has disorder","204404","2020-10-21","18:00:00",""
"1548503","14.092","0.002","9.7574","0.0015","29.812","0.005","90","","101.907","0.004","90","","4011","1.1","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32.5 Ag F3 N1.5 O3 P2 S -","- C42 H32.5 Ag F3 N1.5 O3 P2 S -","- C168 H130 Ag4 F12 N6 O12 P8 S4 -","4","1","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.1091","0.0664","","","0.1698","0.1868","","","","","","0.954","","","","has coordinates","204405","2020-10-21","18:00:00",""
"1548504","9.7009","0.0006","14.5954","0.001","24.0063","0.0016","90","","90","","90","","3399","0.4","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 Ag Cl N O4 P2 -","- C40 H31 Ag Cl N O4 P2 -","- C160 H124 Ag4 Cl4 N4 O16 P8 -","4","1","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.0772","0.0708","","","0.1853","0.192","","","","","","1.054","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1548505","19.4287","0.0007","36.4741","0.0012","42.9932","0.0015","90","","90","","90","","30466.9","1.8","223","2","223","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C156 H120 Ag4 Cl12 O16 P8 -","- C156 H120 Ag4 Cl12 O16 P8 -","- C1248 H960 Ag32 Cl96 O128 P64 -","8","0.25","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.11","0.0843","","","0.2108","0.2263","","","","","","1.087","","","","has coordinates,has disorder","204407","2020-10-21","18:00:00",""
"1548506","9.7572","0.0005","14.8314","0.0008","24.1685","0.0014","90","","90","","90","","3497.5","0.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 Ag F6 N P3 -","- C40 H31 Ag F6 N P3 -","- C160 H124 Ag4 F24 N4 P12 -","4","1","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.0558","0.052","","","0.1233","0.1256","","","","","","1.148","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1548507","18.7319","0.0008","18.51","0.0008","25.8368","0.0011","90","","90","","90","","8958.3","0.7","293","2","293","2","","","","","","","","8","P m n 21","P 2ac -2","31","","","","- C90.45 H83.9 Ag2 Cl0.7 F12 N4 O1.5 P6 -","- C90.45 H83.9 Ag2 Cl0.7 F12 N4 O1.5 P6 -","- C361.8 H335.6 Ag8 Cl2.8 F48 N16 O6 P24 -","4","1","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.0473","0.0412","","","0.1158","0.1211","","","","","","1.061","","","","has coordinates,has disorder","204409","2020-10-21","18:00:00",""
"1548508","15.7878","0.0014","39.138","0.004","21.1625","0.0017","90","","111.148","0.002","90","","12195.7","1.9","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C131 H127 Ag3 B3 F12 O5 P6 -","- C131 H127 Ag3 B3 F12 O5 P6 -","- C524 H508 Ag12 B12 F48 O20 P24 -","4","1","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.1134","0.066","","","0.1513","0.1727","","","","","","0.966","","","","has coordinates,has disorder","204410","2020-10-21","18:00:00",""
"1549540","19.73","0.002","9.1074","0.0007","13.3681","0.001","90","","117.897","0.008","90","","2123","0.4","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Cd O8 -","- C9 H8 Cd O8 -","- C72 H64 Cd8 O64 -","8","1","","Köferstein, Roberto; Robl, Christian","Cd(H2O)2[C6H3(COO)2(COOH)] - Ein zweidimensionales Koordinationspolymer mit Kationenaustauschermerkmalen","Zeitschrift für Anorganische und Allgemeine Chemie","2005","631","6-7","1035","","10.1002/zaac.200400480","","","","","","0.026","0.023","","","","","","","","","","","","","","has coordinates","283830","2023-05-17","22:00:16",""
"1549541","7.2394","0.0007","8.1338","0.0014","9.31","0.002","74.24","0.02","79.235","0.015","65.451","0.01","478.19","0.15","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cu2 N2 O14 -","- C14 H18 Cu2 N2 O14 -","- C14 H18 Cu2 N2 O14 -","1","0.5","","Köferstein, Roberto; Robl, Christian","Über die Schichtstruktur von Cu2(H2O)4[C4H4N2][C6H2(COO)4]·2H2O","Zeitschrift für anorganische und allgemeine Chemie","2005","631","10","1756","","10.1002/zaac.200500141","","","","","","0.035","0.033","","","","","","","","","","","","","","has coordinates","208314","2020-10-21","18:00:00",""
"1550865","8.926","0.0003","8.926","0.0003","8.4985","0.0002","90","","90","","120","","586.39","0.03","","","","","","","","","","","","3","P 63","P 6c","173","SrAl2O4","","","- Al2 O4 Sr -","- Al2 O4 Sr -","- Al12 O24 Sr6 -","6","1","","Fukuda, K.; Fukushima, K.","Crystal structure of hexagonal SrAl2O4 at 1073 K","Journal of Sold State Chemistry","2005","178","","2709","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","214558","2020-10-21","18:00:00",""
"1556110","9.1105","0.0007","9.7461","0.0009","13.7386","0.0011","90","","101.569","0.005","90","","1195.09","0.17","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-(R)-3nb","(R)-(-)-6-Acetoxymethyl-2'-bromobiphenyl-2,3,4,5-tetrazcarboxylic acid tetramethyl ester","","- C23 H21 Br O10 -","- C23 H21 Br O10 -","- C46 H42 Br2 O20 -","2","1","","Tanaka, Ken; Nishida, Goushi; Ogino, Masakazu; Hirano, Masao; Noguchi, Keiichi","Enantioselective synthesis of axially chiral biaryls through rhodium-catalyzed complete intermolecular cross-cyclotrimerization of internal alkynes.","Organic letters","2005","7","14","3119","3121","10.1021/ol0511880","","","1.5418","CuKα","","0.0305","0.0287","","","0.078","0.0798","","","","","","1.051","","","","has coordinates","244972","2020-10-21","18:00:00",""
"1556111","11.9029","0.0013","6.4499","0.0004","13.0137","0.0014","90","","99.747","0.013","90","","984.67","0.17","173","","173","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Cl N O5 -","- C21 H22 Cl N O5 -","- C42 H44 Cl2 N2 O10 -","2","1","","Weisser, Roland; Yue, Weimin; Reiser, Oliver","Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure.","Organic letters","2005","7","24","5353","5356","10.1021/ol051457m","","","0.71073","MoKα","","0.0412","0.0308","","","0.0634","0.0658","","","","","","0.894","","","","has coordinates","243473","2020-10-21","18:00:00",""
"1556112","5.7104","0.0005","14.5249","0.0016","20.567","0.002","90","","90","","90","","1705.9","0.3","173","","173","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Weisser, Roland; Yue, Weimin; Reiser, Oliver","Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure.","Organic letters","2005","7","24","5353","5356","10.1021/ol051457m","","","0.71073","MoKα","","0.0913","0.0392","","","0.0711","0.0817","","","","","","0.694","","","","has coordinates","243474","2020-10-21","18:00:00",""
"1556113","5.31","0.0006","10.8386","0.001","12.8074","0.0012","90","","90","","90","","737.1","0.13","173","","173","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","1","","Weisser, Roland; Yue, Weimin; Reiser, Oliver","Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure.","Organic letters","2005","7","24","5353","5356","10.1021/ol051457m","","","0.71073","MoKα","","0.0292","0.0226","","","0.0446","0.0458","","","","","","0.988","","","","has coordinates","243475","2020-10-21","18:00:00",""
"1556114","9.0186","0.001","10.1685","0.0011","10.338","0.0012","106.26","0.007","92.413","0.008","114.734","0.007","812.73","0.17","296","2","296","2","","","","","","","","5","P 1","P 1","1","'(R)-(+)-2-Butyl-1-(2-chlorophenyl)-2,5,6,7- tetrahydro[2]pyrindin-3-one'","","","- C18 H20 Cl N O -","- C18 H20 Cl N O -","- C36 H40 Cl2 N2 O2 -","2","2","","Tanaka, Ken; Wada, Azusa; Noguchi, Keiichi","Rhodium-catalyzed chemo-, regio-, and enantioselective [2 + 2 + 2] cycloaddition of alkynes with isocyanates.","Organic letters","2005","7","21","4737","4739","10.1021/ol052041b","","","1.5418","CuKα","","0.0633","0.0538","","","0.1548","0.169","","","","","","0.996","","","","has coordinates","244972","2020-10-21","18:00:00",""
"1567488","5.3789","0.0002","5.4361","0.0002","7.6388","0.0003","90","","90","","90","","223.36","0.015","","","298","","","","100","","","","","3","P b n m","-P 2c 2ab","62","CaTiO3","","perovskite","- Ca O3 Ti -","- Ca O3 Ti -","- Ca4 O12 Ti4 -","4","0.5","","Ali, R.; Yashima, M.","Space group and crystal structure of the perovskite CaTiO3 from 296 to 1720 K : ortho phase at 296 K","Journal of Solid State Chemistry","2005","178","","2867","2872","10.1016/j.jssc.2005.06.027","","","","","","","","","","","","","","","","","","","","","has coordinates","277276","2022-08-17","10:16:25",""
"1567489","5.4984","0.0004","5.4984","0.0004","7.7828","0.0008","90","","90","","90","","235.29","0.03","","","298","","","","100","","","","","3","I 4/m c m","-I 4 2c","140","CaTiO3","","perovskite at 1598 K","- Ca O3 Ti -","- Ca O3 Ti -","- Ca4 O12 Ti4 -","4","0.125","","Ali, R.; Yashima, M.","Space group and crystal structure of the perovskite CaTiO3 from 296 to 1720 K : tetragonal phase at 1598 K","Journal of Solid State Chemistry","2005","178","","2867","2872","10.1016/j.jssc.2005.06.027","","","","","","","","","","","","","","","","","","","","","has coordinates","277277","2022-08-17","10:17:12",""
"1567490","3.8967","0.0001","3.8967","0.0001","3.8967","0.0001","90","","90","","90","","59.169","0.003","","","298","","","","100","","","","","3","P m -3 m","-P 4 2 3","221","CaTiO3","","perovskite at 1720 K","- Ca O3 Ti -","- Ca O3 Ti -","- Ca O3 Ti -","1","0.0208333","","Ali, R.; Yashima, M.","Space group and crystal structure of the perovskite CaTiO3 from 296 to 1720 K : tetragonal phase at 1720 K","Journal of Solid State Chemistry","2005","178","","2867","2872","10.1016/j.jssc.2005.06.027","","","","","","","","","","","","","","","","","","","","","has coordinates","277278","2022-08-17","10:18:05",""
"2014597","24.0733","0.0009","9.9223","0.0003","20.5055","0.0008","90","","111.22","0.002","90","","4565.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-Oxo-bis{[(6-hydroxymethyl-2-pyridylmethyl)bis(2-pyridylmethyl)amine -κ^5^N,N',N'',N''',O]iron(III)} tetrakis(perchlorate)","","- C38 H40 Cl4 Fe2 N8 O19 -","- C38 H40 Cl4 Fe2 N8 O19 -","- C152 H160 Cl16 Fe8 N32 O76 -","4","0.5","AV1198","Yun-Ling, Gao; Xiao-Jun, Peng; Shi-Guo, Sun; Chang-Neng, Chen; Li-Cheng, Sun","μ-Oxo-bis{[(6-hydroxymethyl-2-pyridylmethyl)bis(2-pyridylmethyl)amine-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>]iron(III)} tetrakis(perchlorate)","Acta Crystallographica Section C","2005","61","1","m13","m15","10.1107/S0108270104028148","","","0.71073","MoKα","","","0.0752","","","0.1659","0.191","","","","","","1.09","","","","has coordinates,has Fobs","213925","2020-10-21","18:00:00",""
"2014598","8.4073","0.0002","8.6544","0.0003","11.8014","0.0004","71.814","0.0014","70.7538","0.0013","82.343","0.002","769.74","0.04","293","","","","","","","","","","","5","P -1","-P 1","2","","8-Chloro-7-(2,6-dichlorobenzyl)-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione","","- C14 H11 Cl3 N4 O2 -","- C14 H11 Cl3 N4 O2 -","- C28 H22 Cl6 N8 O4 -","2","1","AV1201","Belyakov, Sergey; Alksnis, Edgars; Muravenko, Velta; Lukevics, Edmunds","8-Chloro-7-(2,6-dichlorobenzyl)-1,3-dimethyl-7<i>H</i>-purine-2,6(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section C","2005","61","1","o63","o64","10.1107/S0108270104023133","","","0.71073","MoKα","","0.0592","0.0492","","","0.1207","0.1299","","","","","","1.015","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014599","14.052","0.003","11.33","0.002","17.283","0.003","90","","107.2","0.03","90","","2628.6","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","9-(2-chloroethylamino)acridine monohydrate","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C120 H120 Cl8 N16 O8 -","8","1","AV1203","Youssif Ebead; Artur Sikorski; Karol Krzymiński; Lis, Tadeusz; Jerzy Błażejowski","9-(2-Chloroethylamino)acridine monohydrate and its precursor 9-phenoxyacridine","Acta Crystallographica Section C","2005","61","2","o85","o87","10.1107/S0108270104025156","","","1.54178","CuKα","","0.0883","0.0451","","","0.1044","0.136","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014600","9.4","0.003","10.301","0.003","14.955","0.004","90","","106.89","0.03","90","","1385.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-Phenoxyacridine","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","AV1203","Youssif Ebead; Artur Sikorski; Karol Krzymiński; Lis, Tadeusz; Jerzy Błażejowski","9-(2-Chloroethylamino)acridine monohydrate and its precursor 9-phenoxyacridine","Acta Crystallographica Section C","2005","61","2","o85","o87","10.1107/S0108270104025156","","","0.71073","MoKα","","0.0467","0.0428","","","0.1113","0.1147","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014601","9.3766","0.0019","17.734","0.004","16.35","0.003","90","","98.54","0.03","90","","2688.6","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tris(2,2'-bisoxazoline-k^2^N,N')copper(II) diperchlorate","tris[2,2'-bi(4,5-dihydrooxazole)-k^2^N,N']copper(II) diperchlorate","","- C18 H24 Cl2 Cu N6 O14 -","- C18 H24 Cl2 Cu N6 O14 -","- C72 H96 Cl8 Cu4 N24 O56 -","4","1","AV1208","Lü, Zheng-Liang; Liu, Zhi-Liang; Zhang, De-Qing","Tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate and tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","2005","61","3","m147","m150","10.1107/S010827010402815X","","","0.71073","MoKα","","0.1357","0.0494","","","0.094","0.1119","","","","","","0.83","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014602","9.3911","0.0019","17.683","0.004","16.743","0.003","90","","101.14","0.03","90","","2728","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(2,2'-bisoxazoline-k^2^N,N')nickel(II) diperchlorate","tris[2,2'-bi(4,5-dihydrooxazole)-k^2^N,N']nickel(II) diperchlorate","","- C18 H24 Cl2 N6 Ni O14 -","- C18 H24 Cl2 N6 Ni O14 -","- C72 H96 Cl8 N24 Ni4 O56 -","4","1","AV1208","Lü, Zheng-Liang; Liu, Zhi-Liang; Zhang, De-Qing","Tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate and tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","2005","61","3","m147","m150","10.1107/S010827010402815X","","","0.71073","MoKα","","0.1164","0.0511","","","0.0931","0.1039","","","","","","0.933","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014603","5.76","0.001","8.177","0.001","10.639","0.002","106.1","0.01","96.91","0.01","97.4","0.01","470.98","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^N:N'-μ-p- phenylenebis(oxyacetato)-κ^2^O:O']","","- C20 H20 Co N2 O8 -","- C20 H20 Co N2 O8 -","- C20 H20 Co N2 O8 -","1","0.5","AV1215","Yu-Mei Dai; En Tang; Zhao-Ji Li; Yuan-Gen Yao","Poly[[diaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-μ-<i>p</i>-phenylenebis(oxyacetato)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","2","m61","m63","10.1107/S0108270104031397","","","0.71073","MoKα","","","0.0723","","","0.167","0.183","","","","","","1.111","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014604","4.604","0.002","12.514","0.004","14.422","0.004","90","","90","","90","","830.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-amidino-4-hydroxyproline","N-Amidino-4-hydroxy-L-proline monohydrate","","- C6 H13 N3 O4 -","- C6 H13 N3 O4 -","- C24 H52 N12 O16 -","4","1","AV1216","Ślepokura, Katarzyna; Gawłowska, Monika","<i>N</i>-Amidino-4-hydroxy-<small>L</small>-proline monohydrate and <i>N</i>-amidino-<small>L</small>-methionine monohydrate","Acta Crystallographica Section C","2005","61","1","o25","o28","10.1107/S0108270104029373","","","0.71073","MoKα","","0.0502","0.0385","","","0.0776","0.0813","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014605","8.982","0.003","9.844","0.003","12.066","0.004","90","","105.64","0.03","90","","1027.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-amidino-L-methionine monohydrate","","- C6 H15 N3 O3 S -","- C6 H15 N3 O3 S -","- C24 H60 N12 O12 S4 -","4","2","AV1216","Ślepokura, Katarzyna; Gawłowska, Monika","<i>N</i>-Amidino-4-hydroxy-<small>L</small>-proline monohydrate and <i>N</i>-amidino-<small>L</small>-methionine monohydrate","Acta Crystallographica Section C","2005","61","1","o25","o28","10.1107/S0108270104029373","","","0.71073","MoKα","","0.0527","0.0393","","","0.0742","0.0777","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014606","11.7324","0.0018","12.3985","0.0019","13.228","0.002","90","","101.817","0.003","90","","1883.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl [(Z)-1-iodo-2-phenyl-1-hexenyl]phosphonate","","- C16 H24 I O3 P -","- C16 H24 I O3 P -","- C64 H96 I4 O12 P4 -","4","1","AV1218","Mbianda, Xavier Y.; Fernandes, Manuel A.","Diethyl [(<i>Z</i>)-1-iodo-2-phenyl-1-hexenyl]phosphonate","Acta Crystallographica Section C","2005","61","3","o168","o170","10.1107/S0108270104032913","","","0.71073","MoKα","","0.0405","0.0308","","","0.08","0.0862","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014607","10.1453","0.001","20.0868","0.0019","12.0925","0.0012","90","","105.193","0.002","90","","2378.2","0.4","571","2","571","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-hydroxo-bis{(acetonitrile)[N-benzyl-N-(6-methyl-2- pyridylmethyl)benzylamine-κ^2^N',N'']copper(II)} diperchlorate","","- C46 H52 Cl2 Cu2 N6 O10 -","- C46 H52 Cl2 Cu2 N6 O10 -","- C92 H104 Cl4 Cu4 N12 O20 -","2","0.5","AV1222","Rojas, Dario; García, Ana María; Manzur, Jorge; Vega, Andrés","Di-μ-hydroxo-bis{(acetonitrile)dibenzyl(6-methyl-2-pyridylmethyl)amine-κ^2^<i>N</i>,<i>N</i>]copper(II)} bis(perchlorate)","Acta Crystallographica Section C","2005","61","2","m115","m116","10.1107/S010827010500034X","","","0.71073","MoKα","","0.0773","0.0571","","","0.1692","0.1826","","","","","","1.04","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014608","10.2083","0.0002","10.2083","0.0002","10.2083","0.0002","90","","90","","90","","1063.8","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti Yb -","- O12 P3 Rb2 Ti0.9999 Yb1.0001 -","- O48 P12 Rb8 Ti3.9996 Yb4.0004 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.71073","MoKα","","0.0242","0.024","","0.0563","0.0562","0.0563","","","","","","1.237","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014609","10.2111","0.0002","10.2111","0.0002","10.2111","0.0002","90","","90","","90","","1064.68","0.04","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti Yb -","- O12 P3 Rb2 Ti Yb -","- O48 P12 Rb8 Ti4 Yb4 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.71073","MoKα","","0.0234","0.023","","0.0538","0.0536","0.0538","","","","","","1.277","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014610","10.2132","0.0002","10.2132","0.0002","10.2132","0.0002","90","","90","","90","","1065.33","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti1.68 Yb0.32 -","- O12 P3 Rb2 Ti1.685 Yb0.315 -","- O48 P12 Rb8 Ti6.74 Yb1.26 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.872","Synchrotron","","0.0444","0.0439","","","0.1172","0.1179","","","","","","1.179","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014611","10.2228","0.0005","10.2228","0.0005","10.2228","0.0005","90","","90","","90","","1068.34","0.09","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti1.68 Yb0.32 -","- O12 P3 Rb2 Ti1.685 Yb0.315 -","- O48 P12 Rb8 Ti6.74 Yb1.26 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.872","Synchrotron","","0.0245","0.0244","","0.0631","0.0631","0.0631","","","","","","1.208","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014612","10.0215","0.0008","10.0215","0.0008","10.0215","0.0008","90","","90","","90","","1006.46","0.14","100","2","100","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","calcium nitride fluoride","dicalcium nitride fluoride","","- Ca2 F N -","- Ca2 F0.998 N -","- Ca32 F15.968 N16 -","16","0.0833333","BC1056","Jack, Danielle R.; Zeller, Matthias; Wagner, Timothy R.","Doubled-cubic Ca~2~NF","Acta Crystallographica Section C","2005","61","1","i6","i8","10.1107/S0108270104026666","","","0.71073","MoKα","","0.0291","0.0283","","","0.0627","0.0636","","","","","","1.387","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014613","7.0082","0.0004","7.0082","0.0004","8.6518","0.0007","90","","90","","90","","424.93","0.05","293","2","293","2","","","","","","","","3","P 41 2 2","P 4w 2c","91","silver ruthenate(V)","Trisilver oxoruthenate(V)","","- Ag3 O4 Ru -","- Ag3 O4 Ru -","- Ag12 O16 Ru4 -","4","0.5","BC1060","Klein, Wilhelm; Jansen, Martin","Trisilver oxoruthenate(V), Ag~3~RuO~4~","Acta Crystallographica Section C","2005","61","1","i1","i2","10.1107/S0108270104030082","","","0.71073","MoKα","","0.0318","0.0311","","","0.0762","0.0776","","","","","","1.372","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014614","9.7955","0.0008","8.9781","0.0008","5.251","0.006","90","","106.033","0.007","90","","443.8","0.5","298","1","298","1","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","Ca-clinopyroxene","","Petedunnite","- Ca O6 Si2 Zn -","- Ca O6 Si2 Zn -","- Ca4 O24 Si8 Zn4 -","4","0.5","BC1062","Redhammer, Günther J.; Roth, G.","A comparison of the clinopyroxene compounds CaZnSi~2~O~6~ and CaZnGe~2~O~6~","Acta Crystallographica Section C","2005","61","2","i20","i22","10.1107/S0108270104033153","","","0.71073","MoKα","","","0.0212","","","","0.0578","","","","","","1.052","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2014615","10.1659","0.0008","9.0096","0.0007","5.4369","0.0004","90","","105.181","0.004","90","","480.59","0.06","298","2","298","1","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","","- Ca Ge2 O6 Zn -","- Ca Ge2 O6 Zn -","- Ca4 Ge8 O24 Zn4 -","4","0.5","BC1062","Redhammer, Günther J.; Roth, G.","A comparison of the clinopyroxene compounds CaZnSi~2~O~6~ and CaZnGe~2~O~6~","Acta Crystallographica Section C","2005","61","2","i20","i22","10.1107/S0108270104033153","","","0.71073","MoKα","","","0.0248","","","","0.0569","","","","","","1.065","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2014616","8.31058","0.00005","8.31058","0.00005","8.31058","0.00005","90","","90","","90","","573.976","0.006","298","1","298","1","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","magnesium aluminum iron chromite","","","- Al0.41 Cr1.42 Fe0.65 Mg0.4 O4 -","- Al0.4 Cr1.42 Fe0.65 Mg0.4 O4 -","- Al3.2 Cr11.36 Fe5.2 Mg3.2 O32 -","8","0.0416667","BC1063","Santos, Joab S.; Doriguetto, Antônio C.; Fernandes, Nelson G.","Magnesium aluminium chromite","Acta Crystallographica Section C","2005","61","3","i27","i28","10.1107/S0108270105000338","","","0.71073","MoKα","","0.0155","0.0151","","","0.0407","0.0408","","","","","","1.402","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014617","4.7223","0.0011","4.7223","0.0011","10.298","0.003","90","","90","","90","","229.65","0.1","293","2","293","2","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","lithium chlorite","lithium chlorate(III)","","- Cl Li O2 -","- Cl Li O2 -","- Cl4 Li4 O8 -","4","0.25","BC1064","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Two alkali metal chlorites, LiClO~2~ and KClO~2~","Acta Crystallographica Section C","2005","61","2","i17","i19","10.1107/S0108270104032482","","","0.71073","MoKα","","0.087","0.0466","","","0.09","0.0967","","","","","","0.909","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014618","6.1446","0.0009","6.3798","0.0012","7.3755","0.0019","90","","90","","90","","289.13","0.1","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","potassium chlorite","potassium chlorate(III)","","- Cl K O2 -","- Cl K O2 -","- Cl4 K4 O8 -","4","0.25","BC1064","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Two alkali metal chlorites, LiClO~2~ and KClO~2~","Acta Crystallographica Section C","2005","61","2","i17","i19","10.1107/S0108270104032482","","","0.71073","MoKα","","0.0341","0.0295","","","0.0728","0.0742","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014619","6.1973","0.001","6.4757","0.001","7.5249","0.001","102.386","0.01","96.983","0.01","102.544","0.01","283.4","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","β-Digadolinium tetraborate","Digadolinium tetraborate","","- B4 Gd2 O9 -","- B4 Gd2 O9 -","- B8 Gd4 O18 -","2","1","BC1065","Emme, Holger; Huppertz, Hubert","High-pressure synthesis of the new rare-earth oxoborate β-Gd~2~B~4~O~9~","Acta Crystallographica Section C","2005","61","2","i23","i24","10.1107/S0108270104033396","","","0.71073","MoKα","","0.036","0.0257","","","0.0472","0.0498","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014620","7.011","0.002","7.196","0.002","12.907","0.003","89.51","0.03","76.24","0.02","89.39","0.02","632.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ag0.5 Nb2 P Rb0.38 S10 -","- Ag0.5 Nb2 P Rb0.375 S10 -","- Ag Nb4 P2 Rb0.75 S20 -","2","1","","Dong, Yongkwan; Kim, Sangrok; Yun, Hoseop","A new thiophosphate, Rb~0.38~Ag~0.5~Nb~2~PS~10~","Acta Crystallographica, Section C","2005","61","","i25","i26","10.1107/S0108270105000351","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2014621","17.924","0.005","11.702","0.003","14.339","0.004","90","","112.249","0.006","90","","2783.6","1.3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-iodo-bis{[1,1'-methylenebis(3,5-dimethyl-4H-pyrazole)]copper(I)}","","- C22 H32 Cu2 I2 N8 -","- C22 H32 Cu2 I2 N8 -","- C88 H128 Cu8 I8 N32 -","4","0.5","BM1589","Xu, Ying; Li, Hong-Xi; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping","Di-μ-iodo-bis{[1,1'-methylenebis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)]copper(I)}","Acta Crystallographica Section C","2005","61","1","m4","m6","10.1107/S0108270104028379","","","0.71073","MoKα","","0.0514","0.0416","","","0.0783","0.0821","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014622","13.0776","0.0006","15.1667","0.0007","22.4675","0.0011","73.557","0.002","87.49","0.002","78.807","0.002","4192.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(S,S-diphenylsulfimide)cobalt(II) diiodide diphenylsulfimide acetonitrile disolvate","","- C88 H83 Co I2 N9 S7 -","- C88 H83 Co I2 N9 S7 -","- C176 H166 Co2 I4 N18 S14 -","2","1","BM1594","Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.","The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes","Acta Crystallographica Section C","2005","61","1","m34","m39","10.1107/S0108270104029051","","","0.71073","MoKα","","0.0614","0.0302","","","0.0562","0.0638","","","","","","0.893","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014623","18.8566","0.0004","18.8566","0.0004","18.8566","0.0004","90","","90","","90","","6704.9","0.2","120","2","120","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","hexakis(S,S-diphenylsulfimide)iron(III) trichloride","","- C72 H66 Cl3 Fe N6 S6 -","- C72 H66 Cl3 Fe N6 S6 -","- C288 H264 Cl12 Fe4 N24 S24 -","4","0.166667","BM1594","Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.","The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes","Acta Crystallographica Section C","2005","61","1","m34","m39","10.1107/S0108270104029051","","","0.71073","MoKα","","0.0777","0.0462","","","0.101","0.1131","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014624","13.7287","0.0005","10.862","0.0004","18.3936","0.0006","90","","93.864","0.002","90","","2736.64","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","diiodotetrakis(S,S-diphenylsulfimide)platinum(IV) dichloride dichloromethane disolvate, [Pt(C~12~H~11~NS)~6~]Cl~2~.2CH~2~Cl~2~","","- C50 H48 Cl6 I2 N4 Pt S4 -","- C50 H48 Cl6 I2 N4 Pt S4 -","- C100 H96 Cl12 I4 N8 Pt2 S8 -","2","0.5","BM1594","Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.","The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes","Acta Crystallographica Section C","2005","61","1","m34","m39","10.1107/S0108270104029051","","","0.71073","MoKα","","0.0481","0.0441","","","0.1393","0.1429","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014625","6.7978","0.0007","12.5513","0.0012","8.5306","0.0008","90","","96.529","0.002","90","","723.12","0.12","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","4-fluoroanilinium 5-sulfosalicylate monohydrate","4-fluoroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H14 F N O7 S -","- C13 H14 F N O7 S -","- C26 H28 F2 N2 O14 S2 -","2","1","BM1595","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-<i>X</i>-substituted anilines (<i>X</i> = F, Cl or Br)","Acta Crystallographica Section C","2005","61","2","o105","o109","10.1107/S0108270104033451","","","0.71073","MoKα","","0.0297","0.0283","","","0.0723","0.0732","","","","","","1.028","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014626","7.455","0.004","11.849","0.007","33.848","0.019","90","","90.817","0.012","90","","2990","3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-chloroanilinium 5-sulfosalicylate hemihydrate","4-chloroanilinium 3-carboxy-4-hydroxybenzenesulfonate hemihydrate","","- C13 H13 Cl N O6.5 S -","- C13 H13 Cl N O6.5 S -","- C104 H104 Cl8 N8 O52 S8 -","8","2","BM1595","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-<i>X</i>-substituted anilines (<i>X</i> = F, Cl or Br)","Acta Crystallographica Section C","2005","61","2","o105","o109","10.1107/S0108270104033451","","","0.7107","MoKα","","0.0558","0.0486","","","0.1282","0.1324","","","","","","1.207","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014627","12.781","0.0019","6.986","0.001","35.454","0.005","90","","90","","90","","3165.6","0.8","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4-bromoanilinium 5-sulfosalicylate monohydrate","4-bromoanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H14 Br N O7 S -","- C13 H14 Br N O7 S -","- C104 H112 Br8 N8 O56 S8 -","8","1","BM1595","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-<i>X</i>-substituted anilines (<i>X</i> = F, Cl or Br)","Acta Crystallographica Section C","2005","61","2","o105","o109","10.1107/S0108270104033451","","","0.71073","MoKα","","0.0497","0.0382","","","0.1068","0.1121","","","","","","1.069","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014628","12.825","0.0013","16.2","0.0016","28.721","0.003","90","","97.318","0.002","90","","5918.6","1","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C60 H50 Br6 N2 P2 Pd2 S2 -","- C60 H50 Br6 N2 P2 Pd2 S2 -","- C240 H200 Br24 N8 P8 Pd8 S8 -","4","1","BM1597","Dale, Sophie H.; Elsegood, Mark R. J.; Gilby, Liam M.; Holmes, Kathryn E.; Kelly, Paul F.","Bis[(diphenylsulfimido)triphenylphosphonium] di-μ-bromo-bis[dibromopalladate(II)]","Acta Crystallographica Section C","2005","61","1","m40","m42","10.1107/S0108270104029464","","","0.71073","MoKα","","0.0461","0.0356","","","0.0781","0.0815","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014629","15.2885","0.0001","7.1995","0.0001","28.2539","0.0003","90","","94.077","0.0004","90","","3102.02","0.06","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3'-Dimethyl-1,1'-methylenediimidazolium tetrachlorocobaltate(II)","","- C9 H14 Cl4 Co N4 -","- C9 H14 Cl4 Co N4 -","- C72 H112 Cl32 Co8 N32 -","8","1","BM1598","Zeller, A.; Herdtweck, E.; Strassner, T.","3,3'-Dimethyl-1,1'-methylenediimidazolium tetrachlorocobaltate(II)","Acta Crystallographica Section C","2005","61","1","m46","m47","10.1107/S0108270104030471","","","0.71073","MoKα","","0.0314","0.0263","","","0.0646","0.0667","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014630","13.7562","0.0015","8.4253","0.0009","9.4761","0.001","90","","97.368","0.002","90","","1089.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium 2,4,6-trimethylbenzenesulfonate","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","BM1599","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Gilby, Liam M.; Kelly, Paul F.","Polymorphism in ammonium 2,4,6-trimethylbenzenesulfonate","Acta Crystallographica Section C","2005","61","3","o134","o137","10.1107/S0108270104034274","","","0.71073","MoKα","","0.0408","0.0308","","","0.0869","0.0936","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014631","8.4792","0.0013","9.6152","0.0015","26.864","0.004","90","","90","","90","","2190.2","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ammonium 2,4,6-trimethylbenzenesulfonate","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C72 H120 N8 O24 S8 -","8","1","BM1599","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Gilby, Liam M.; Kelly, Paul F.","Polymorphism in ammonium 2,4,6-trimethylbenzenesulfonate","Acta Crystallographica Section C","2005","61","3","o134","o137","10.1107/S0108270104034274","","","0.71073","MoKα","","0.0979","0.0662","","","0.1531","0.1988","","","","","","1.15","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014632","12.2627","0.0011","27.86","0.002","12.2402","0.0011","90","","114.438","0.002","90","","3807.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(Diphenylselenio)diphenylsulfimidium tetraphenylborate","","- C48 H40 B N S Se -","- C48 H40 B N S Se -","- C192 H160 B4 N4 S4 Se4 -","4","1","BM1600","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Gilby, Liam M.; Holmes, Kathryn E.; Kelly, Paul F.","<i>N</i>-(Diphenylselenio)diphenylsulfimidium tetraphenylborate","Acta Crystallographica Section C","2005","61","2","o112","o113","10.1107/S0108270104033505","","","0.71073","MoKα","","0.0512","0.0426","","","0.1118","0.1157","","","","","","1.02","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014633","6.2384","0.0005","9.8255","0.0007","12.5432","0.0009","69.344","0.001","78.054","0.001","79.396","0.001","698.64","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","Leu-Phe*","3-benzylidene-6-isobutylpiperazine-2,5-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","2","BM1602","Bagaria, A.; Ramakumar, S.; Gupta, M.; Chauhan, V. S.","Cyclo(<small>L</small>-leucyl-α,β-dehydrophenylalanine): the first diketopiperazine containing an α,β-dehydrophenylalanine residue","Acta Crystallographica Section C","2005","61","3","o174","o176","10.1107/S0108270105001629","","","0.71073","MoKα","","0.049","0.045","","","0.11","0.1127","","","","","","1.11","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014634","7.6642","0.0008","7.9235","0.0008","15.6651","0.0016","81.177","0.002","79.128","0.002","89.983","0.002","922.77","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-6-methylpyridinium) tetrachlorozincate(II)","","- C12 H18 Cl4 N4 Zn -","- C12 H18 Cl4 N4 Zn -","- C24 H36 Cl8 N8 Zn2 -","2","1","DN1068","Zhi-Min Jin; Nan Shun; Ya-Ping Lü; Mao-Lin Hu; Liang Shen","Bis(2-amino-6-methylpyridinium) tetrachlorozincate(II)","Acta Crystallographica Section C","2005","61","1","m43","m45","10.1107/S0108270104030458","","","0.71073","MoKα","","0.0396","0.0333","","","0.0832","0.0872","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014635","12.936","0.003","33.696","0.008","10.604","0.003","90.35","0.01","120.67","0.01","89.6","0.01","3975.5","1.8","174","2","174","2","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","4'-Hydroxybiphenyl-4-carbonitrile","","- C13 H9 N O -","- C13 H9 N O -","- C208 H144 N16 O16 -","16","","DN1069","Britton, Doyle","4'-Hydroxybiphenyl-4-carbonitrile","Acta Crystallographica Section C","2005","61","1","o35","o37","10.1107/S010827010403046X","","","0.71073","MoKα","","0.071","0.055","","","0.114","0.119","","","","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014636","6.6556","0.0007","7.8062","0.0008","9.669","0.001","75.043","0.002","86.534","0.002","79.042","0.002","476.45","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","8-Hydroxy-2-methylquinoline-7-carboxylic acid monohydrate","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","DN1072","Firley, Delphine; Fraisse, Bernard; Zouhiri, Fatima; Spasojević-de Biré, Anne; Desmaële, Didier; d'Angelo, Jean; Ghermani, Nour Eddine","7-Carboxylato-8-hydroxy-2-methylquinolinium monohydrate and 7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate at 100K","Acta Crystallographica Section C","2005","61","3","o154","o157","10.1107/S0108270104031403","","","0.71073","MoKα","","0.043","0.0371","","","0.1052","0.1089","","","","","","1.049","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014637","7.1089","0.0004","9.4102","0.0005","9.623","0.0005","96.719","0.001","110.184","0.001","107.941","0.001","556.57","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate","","- C11 H12 Cl N O4 -","- C11 H12 Cl N O4 -","- C22 H24 Cl2 N2 O8 -","2","1","DN1072","Firley, Delphine; Fraisse, Bernard; Zouhiri, Fatima; Spasojević-de Biré, Anne; Desmaële, Didier; d'Angelo, Jean; Ghermani, Nour Eddine","7-Carboxylato-8-hydroxy-2-methylquinolinium monohydrate and 7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate at 100K","Acta Crystallographica Section C","2005","61","3","o154","o157","10.1107/S0108270104031403","","","0.71073","MoKα","","0.0344","0.0301","","","0.0837","0.0862","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014638","8.8959","0.0016","8.9014","0.0016","8.9288","0.0016","88.895","0.015","87.795","0.015","66.667","0.014","648.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Acetoxy-2-(acetylamino)pyridinium-1-squarate","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C26 H20 N4 O12 -","2","1","DN1073","Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Odabaşoglu, Mustafa; Büyükgüngör, Orhan","3-Acetoxy-2-(acetylamino)pyridinium-1-squarate","Acta Crystallographica Section C","2005","61","3","o148","o150","10.1107/S0108270104031841","","","0.71073","MoKα","","0.1349","0.069","","","0.1344","0.154","","","","","","1.024","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014639","7.312","0.005","14.774","0.005","10.902","0.005","90","","95.076","0.005","90","","1173.1","1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[N-(2-hydroxyethyl)ethylendiamine-κ^3^N,N',O] cis-bis(isothiocyanato-κN)copper(II)","","- C6 H12 Cu N4 O S2 -","- C6 H12 Cu N4 O S2 -","- C24 H48 Cu4 N16 O4 S8 -","4","1","FA1084","Pas̨aoǧlu, Hümeyra; Karadaǧ, Ahmet; Tezcan, Fatma; Büyükgüngör, Orhan","[<i>N</i>-(2-Hydroxyethyl)ethylenediamine-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]-<i>cis</i>-bis(isothiocyanato-κ<i>N</i>)copper(II)","Acta Crystallographica Section C","2005","61","2","m93","m94","10.1107/S0108270104033803","","","0.71069","MoKα","","0.0459","0.0311","","","0.0556","0.0585","","","","","","0.899","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014640","7.777","0.002","11.575","0.003","20.16","0.005","90","","90","","90","","1814.8","0.8","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-2-methoxymethyl-1-(ferrocenylmethyl)pyrrolidinium iodide","","- C17 H24 Fe I N O -","- C17 H24 Fe I N O -","- C68 H96 Fe4 I4 N4 O4 -","4","1","FA1094","Palusiak, Marcin; Janowska, Izabela; Zakrzewski, Janusz; Grabowski, Sławomir J.","Charge-assisted N—H···I and C—H···I hydrogen bonding in (1<i>R</i>,2<i>S</i>)-1-(ferrocenylmethyl)-2-(methoxymethyl)pyrrolidinium iodide","Acta Crystallographica Section C","2005","61","1","m55","m57","10.1107/S0108270104027581","","","0.71073","MoKα","","","0.0241","","","","0.0436","","","","","","0.815","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014641","8.4148","0.0012","8.731","0.0016","9.8916","0.0016","102.177","0.016","104.587","0.012","113.166","0.013","606.1","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis{[η^2^-3-(3-amino-1-pyridinio)propene]copper(I)}-di-μ-chloro- copper(I)-di-μ-chloro-copper(I)-di-μ-chloro]","","- C16 H12 Cl6 Cu4 N4 -","- C16 H22 Cl6 Cu4 N4 -","- C16 H22 Cl6 Cu4 N4 -","1","0.5","FA1102","Goreshnik, Evgeny; Schollmeyer, Dieter; Mys'kiv, Marian","<i>catena</i>-Poly[bis[(η^2^-1-allyl-3-aminopyridinium)copper(I)]-di-μ-chloro-copper(I)-di-μ-chloro-copper(I)-di-μ-chloro]","Acta Crystallographica Section C","2005","61","3","m127","m129","10.1107/S0108270105000806","","","1.54178","CuKα","","0.0713","0.06","","","0.1633","0.1747","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014642","12.115","0.003","12.225","0.004","15.71","0.003","90","","90","","90","","2326.7","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nimbolide","(4α,5α,6α,7α,15β,17α)-7,15:21,23-diepoxy-6 -hydroxy-4,8-dimethyl-1-oxo-18,24-dinor-11,12-secochola-2,13,20,22-tetraene- 4,11-dicarboxylic acid γ-lactone methyl ester","","- C27 H30 O7 -","- C27 H30 O7 -","- C108 H120 O28 -","4","1","FA1106","Solomon, K. Anand; Malathi, R.; Rajan, S. S.; Anitha, G.; Raj, J. Josepha Lourdu; Narasimhan, S.; Suresh, G.; Gopalakrishnan, Geetha","The isomeric compounds nimbolide and isonimbolide","Acta Crystallographica Section C","2005","61","2","o70","o72","10.1107/S0108270104031385","","","1.54178","CuKα","","0.0841","0.0585","","","0.162","0.1832","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014643","9.026","0.002","14.009","0.018","18.495","0.005","90","","90","","90","","2339","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isonimbolide","(4α,5α,6α,7α,15α)-7,15:21,23-diepoxy-6-hydroxy- 4,8-dimethyl-1-oxo-18,24-dinor-11,12-secochola-2,16,20,22-tetraene-4,11- dicarboxylic acid γ-lactone methyl ester","","- C27 H30 O7 -","- C27 H30 O7 -","- C108 H120 O28 -","4","1","FA1106","Solomon, K. Anand; Malathi, R.; Rajan, S. S.; Anitha, G.; Raj, J. Josepha Lourdu; Narasimhan, S.; Suresh, G.; Gopalakrishnan, Geetha","The isomeric compounds nimbolide and isonimbolide","Acta Crystallographica Section C","2005","61","2","o70","o72","10.1107/S0108270104031385","","","0.71073","MoKα","","0.2353","0.0655","","","0.1429","0.1976","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014644","8.7458","0.0015","9.2177","0.0014","9.7938","0.0015","96.339","0.012","105.022","0.014","100.649","0.013","738.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-N-isopropylbenzamidinium chloride ethanol solvate","","- C12 H22 Cl N3 O -","- C12 H22 Cl N3 O -","- C24 H44 Cl2 N6 O2 -","2","1","FA1107","Jarak, Ivana; Karminski - Zamola, Grace; Pavlović, Gordana; Popović, Zora","4-Amino-<i>N</i>-isopropylbenzamidinium chloride ethanol solvate","Acta Crystallographica Section C","2005","61","2","o98","o100","10.1107/S0108270104033281","","","0.71073","MoKα","","0.0624","0.0467","","","0.1333","0.1447","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014645","9.5092","0.0002","19.1979","0.0002","20.6024","0.0005","90","","96.88","0.001","90","","3734.02","0.13","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","28,31,36,39-tetraoxa-9,17,42-pentaaza-1,25- diazoniapentacyclo[23.8.5.1^11,15^.0^3,8^.0^18,23^]nonatriaconta- 3,5,7,9,11,13,15,16,18,20,22-undecane bis(perchlorate)","","- C33 H43 Cl2 N5 O12 -","- C33 H43 Cl2 N5 O12 -","- C132 H172 Cl8 N20 O48 -","4","0.5","FA1108","Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; Fernández-Martínez, Susana; De Blas, Andres; Rodríguez-Blas, Teresa","A Schiff base lateral macrobicycle derived from 4,13-diaza-18-crown-6 in its protonated form","Acta Crystallographica Section C","2005","61","2","o92","o94","10.1107/S0108270104033657","","","0.71073","MoKα","","0.1122","0.0678","","","0.1836","0.2143","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014646","9.2411","0.0009","16.934","0.002","17.9235","0.0018","90","","90","","90","","2804.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-N-tosyl-L-glutamic acid","(+)-N-[(4-methylphenyl)sulfonyl]-L-glutamic acid","","- C12 H15 N O6 S -","- C12 H15 N O6 S -","- C96 H120 N8 O48 S8 -","8","2","FA1112","Zachara, Janusz; Madura, Izabela; Hajmowicz, Halina; Synoradzki, Ludwik","The hydrogen-bonding network in (+)-<i>N</i>-tosyl-<small>L</small>-glutamic acid","Acta Crystallographica Section C","2005","61","3","o181","o184","10.1107/S0108270105002088","","","0.71073","MoKα","","0.0315","0.0276","","","0.0727","0.0747","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014647","4.738","0.004","8.954","0.009","9.073","0.01","108.33","0.04","92.84","0.04","99.98","0.04","357.6","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","azopyridine‒succinic acid (1/1)","di-4-pyridyldiazene‒succinic acid (1/1)","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","1","0.5","FG1785","Zhang, Jing; Ye, Ling; Wu, Li-Xin","Hydrogen-bonded azopyridine and succinic acid co-crystal","Acta Crystallographica Section C","2005","61","1","o38","o40","10.1107/S0108270104030392","","","0.71073","MoKα","","0.0516","0.0426","","","0.123","0.1384","","","","","","1.144","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014648","9.3142","0.0019","10.315","0.002","12.169","0.002","87.87","0.03","84.04","0.03","68.68","0.03","1083.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[[[aqua(2,2'-bipyridine-κ^2^N,N')manganese(II)]- μ~3~-p-phenylenebis(oxyacetato)-κ^3^O:O':O''] dihydrate]","","- C20 H22 Mn N2 O9 -","- C20 H22 Mn N2 O9 -","- C40 H44 Mn2 N4 O18 -","2","1","FG1790","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Two two-dimensional Mn^II^ and Na^I^ coordination polymers constructed by the flexible benzene-1,4-dioxyacetate ligand","Acta Crystallographica Section C","2005","61","1","m25","m29","10.1107/S0108270104029531","","","0.71073","MoKα","","0.04","0.036","","","0.091","0.094","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014649","5.3754","0.0011","5.9136","0.0012","11.236","0.002","85.83","0.03","82.01","0.03","83.54","0.03","350.86","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","poly[[di-μ-aqua-bis[aquasodium(I)]]-μ~4~-p-phenylenebis(oxyacetato)- κO:O',O'':O''',O'''':O''''']","","- C10 H16 Na2 O10 -","- C10 H16 Na2 O10 -","- C10 H16 Na2 O10 -","1","0.5","FG1790","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Two two-dimensional Mn^II^ and Na^I^ coordination polymers constructed by the flexible benzene-1,4-dioxyacetate ligand","Acta Crystallographica Section C","2005","61","1","m25","m29","10.1107/S0108270104029531","","","0.71073","MoKα","","0.041","0.037","","","0.096","0.099","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014650","9.9034","0.001","10.9374","0.0009","16.408","0.002","90","","102.252","0.005","90","","1736.8","0.3","150.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[chlorodipyridinemanganese(II)]-μ~3~-6-oxo-1,6-dihydropyridine- 2-carboxylato]","","- C16 H14 Cl Mn N3 O3 -","- C16 H14 Cl Mn N3 O3 -","- C64 H56 Cl4 Mn4 N12 O12 -","4","1","FG1797","Bian, Guo-Qing; Kuroda-Sowa, Takayoshi; Sugimoto, Sayuri; Maekawa, Masahiko; Munakata, Megumu","<i>catena</i>-Poly[[chlorodipyridinemanganese(II)]-μ~3~-6-oxo-1,6-dihydropyridine-2-carboxylato]","Acta Crystallographica Section C","2005","61","3","m144","m146","10.1107/S0108270105002684","","","0.7107","MoKα","","","0.03","","","","0.0619","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014651","9.202","0.009","17.136","0.016","11.087","0.009","90","","92.53","0.03","90","","1747","3","296.1","","296.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Di-2-pyridylamine-κ^2^N,N')(naphthalene-2,3-diolato-κ^2^O,O')palladium(II) monohydrate","","- C20 H17 N3 O3 Pd -","- C20 H17 N3 O3 Pd -","- C80 H68 N12 O12 Pd4 -","4","1","FG1798","Yue Wang; Yu Mizubayashi; Mamiko Odoko; Nobuo Okabe","(Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) monohydrate and (di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(3-oxidonaphthalene-2-carboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2005","61","2","m67","m70","10.1107/S010827010403197X","","","0.71075","MoKα","","0.0225","0.0194","","","0.0528","0.0537","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014652","12.168","0.009","11.5","0.01","13.195","0.008","90","","94.94","0.03","90","","1840","2","296.1","","296.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(di-2-pyridylamine-κ^2^N,N')(2-oxidonaphthalene-3-carboxylato- κ^2^O,O')palladium(II)","","- C21 H15 N3 O3 Pd -","- C21 H15 N3 O3 Pd -","- C84 H60 N12 O12 Pd4 -","4","1","FG1798","Yue Wang; Yu Mizubayashi; Mamiko Odoko; Nobuo Okabe","(Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) monohydrate and (di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(3-oxidonaphthalene-2-carboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2005","61","2","m67","m70","10.1107/S010827010403197X","","","0.71073","MoKα","","0.0329","0.0218","","","0.048","0.0489","","","","","","0.899","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014653","11.337","0.005","11.337","0.005","9.91","0.005","90","","90","","120","","1103.1","0.9","293","","293","","","","","","","","","6","P 63","P 6c","173","Tris[(R)-lactamide-κ^2^O,O']zinc(II) tetrabromozincate","Tris[(R)-2-hydroxypropanamide-κ^2^O,O']zinc(II) tetrabromozincate","","- C9 H21 Br4 N3 O6 Zn2 -","- C9 H21 Br4 N3 O6 Zn2 -","- C18 H42 Br8 N6 O12 Zn4 -","2","0.333333","FG1801","Bekaert, Alain; Lemoine, Pascale; Brion, Jean Daniel; Viossat, Bernard","Tris[(<i>R</i>)-lactamide-κ^2^<i>O</i>,<i>O</i>']zinc(II) tetrabromozincate","Acta Crystallographica Section C","2005","61","2","m76","m77","10.1107/S0108270104032512","","","0.71073","MoKα","","0.0711","0.0435","","","0.0788","0.0878","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014654","19.28","0.005","9.715","0.003","18.05","0.005","90","","109.509","0.005","90","","3186.8","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate","","- C15 H9 Cl F3 N O5 -","- C15 H9 Cl F3 N O5 -","- C120 H72 Cl8 F24 N8 O40 -","8","2","FG1802","Li, Bin; Lan, Yu-Ming; Hsu, Chi-Tung; Liu, Zhen-Long; Song, Hai-Bin; Wu, Chao; Yang, Hua-Zheng","Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors","Acta Crystallographica Section C","2005","61","2","o122","o126","10.1107/S0108270105000545","","","0.71073","MoKα","","0.1836","0.0546","","","0.1202","0.1632","","","","","","0.872","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014655","14.326","0.013","7.802","0.007","14.337","0.013","90","","110.599","0.015","90","","1500","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","methyl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin- 1-yl]benzoate","","- C14 H10 Cl F3 N2 O4 -","- C14 H10 Cl F3 N2 O4 -","- C56 H40 Cl4 F12 N8 O16 -","4","1","FG1802","Li, Bin; Lan, Yu-Ming; Hsu, Chi-Tung; Liu, Zhen-Long; Song, Hai-Bin; Wu, Chao; Yang, Hua-Zheng","Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors","Acta Crystallographica Section C","2005","61","2","o122","o126","10.1107/S0108270105000545","","","0.71073","MoKα","","0.056","0.0389","","","0.1035","0.1151","","","","","","1.103","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014656","22.887","0.009","7.25","0.003","9.497","0.004","90","","90","","90","","1575.8","1.1","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]-4-(trifluoromethyl)piperidine- 2,6-dione","","- C15 H10 Cl F4 N O3 -","- C15 H10 Cl F4 N O3 -","- C60 H40 Cl4 F16 N4 O12 -","4","1","FG1802","Li, Bin; Lan, Yu-Ming; Hsu, Chi-Tung; Liu, Zhen-Long; Song, Hai-Bin; Wu, Chao; Yang, Hua-Zheng","Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors","Acta Crystallographica Section C","2005","61","2","o122","o126","10.1107/S0108270105000545","","","0.71073","MoKα","","0.0689","0.0465","","","0.1124","0.1236","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014657","9.313","0.005","9.38","0.005","10.485","0.006","99.663","0.009","104.263","0.009","112.778","0.008","782.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]-1,3,4,5,6,7- hexahydroisoindole-1,3-dione","","- C17 H13 Cl F N O3 -","- C17 H13 Cl F N O3 -","- C34 H26 Cl2 F2 N2 O6 -","2","1","FG1803","Bin Li; Hai-Bin Song; Chi-Tung Hsu; Ke-Liang Zhang; Chao Wu; Hua-Zheng Yang","Two isomeric 2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]hexahydroisoindole-1,3-dione compounds","Acta Crystallographica Section C","2005","61","2","o114","o117","10.1107/S0108270104034146","","","0.71073","MoKα","","0.0632","0.0426","","","0.1006","0.1113","","","","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014658","22.712","0.015","7.474","0.005","18.655","0.012","90","","99.061","0.011","90","","3127","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]-cis-1,3,3a,4,7,7a- hexahydroisoindole-1,3-dione","","- C17 H13 Cl F N O3 -","- C17 H13 Cl F N O3 -","- C136 H104 Cl8 F8 N8 O24 -","8","1","FG1803","Bin Li; Hai-Bin Song; Chi-Tung Hsu; Ke-Liang Zhang; Chao Wu; Hua-Zheng Yang","Two isomeric 2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]hexahydroisoindole-1,3-dione compounds","Acta Crystallographica Section C","2005","61","2","o114","o117","10.1107/S0108270104034146","","","0.71073","MoKα","","0.0992","0.0595","","","0.1345","0.1553","","","","","","1.017","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014659","7.112","0.001","14.676","0.003","12.145","0.002","90","","96.65","0.03","90","","1259.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[copper(II)-μ-5-carboxy-1H-imidazole-4-carboxylato],","","- C10 H6 Cu N4 O8 -","- C10 H6 Cu N4 O8 -","- C40 H24 Cu4 N16 O32 -","4","1","FG1804","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","A three-dimensional supramolecular network built with the zigzag chain complex bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato)copper(II)","Acta Crystallographica Section C","2005","61","2","m98","m100","10.1107/S0108270104034158","","","0.71073","MoKα","","0.0616","0.0408","","","0.0948","0.1009","","","","","","1.034","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014660","8.726","0.0017","11.295","0.002","16.284","0.003","90.16","0.03","96.76","0.03","103.85","0.03","1546.7","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","[μ-2,2'-(1,4-butanediyl)bis(1H-benzimidazole)-κ^2^N^3^:N^3'^]bis{[2,2'- (1,4-butanediyl)bis(1H-benzimidazole)-κ^2^N^3^,N^3'^](nitrato-κO)cobalt(II)} dinitrate ethanol disolvate","","- C58 H66 Co2 N16 O14 -","- C58 H66 Co2 N16 O14 -","- C58 H66 Co2 N16 O14 -","1","0.5","FG1805","Jin Yang; Jian-Fang Ma; Ying-Ying Liu","A dinuclear complex of cobalt(II) with 2,2'-(1,4-butanediyl)dibenzimidazole","Acta Crystallographica Section C","2005","61","2","m101","m103","10.1107/S0108270105000478","","","0.71073","MoKα","","0.0661","0.0402","","","0.0849","0.0892","","","","","","0.906","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014661","9.4512","0.0019","10.583","0.002","9.5998","0.0019","90","","113.9","0.03","90","","877.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(pyridin-3-ol)manganese(II)]-di-μ-pyridin-3-olato]","","- C20 H18 Mn N4 O4 -","- C20 H18 Mn N4 O4 -","- C40 H36 Mn2 N8 O8 -","2","0.5","FG1807","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[[bis(pyridin-3-ol)manganese(II)]-di-μ-pyridin-3-olato]","Acta Crystallographica Section C","2005","61","3","m133","m135","10.1107/S0108270105001101","","","0.71073","MoKα","","0.0307","0.0289","","","0.0935","0.0949","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014662","8.547","0.002","10.308","0.002","10.611","0.002","91.654","0.004","100.667","0.004","93.623","0.003","916.1","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1H-imidazole-5-carboxaldehyde","1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1H-imidazole-5-carboxaldehyde","","- C17 H20 Br Cl N2 O3 -","- C17 H20 Br Cl N2 O3 -","- C34 H40 Br2 Cl2 N4 O6 -","2","1","FG1810","Nagaraj, B.; Narasimhamurthy, T.; Yathirajan, H. S.; Nagaraja, P.; Narasegowda, R. S.; Rathore, Ravindranath S.","C—halogen···π dimer and C—H···π interactions in 1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1<i>H</i>-imidazole-5-carbaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1<i>H</i>-imidazole-5-carbaldehyde","Acta Crystallographica Section C","2005","61","3","o177","o180","10.1107/S0108270105001794","","","0.71073","MoKα","","0.0869","0.0549","","","0.1492","0.1697","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014663","12.4899","0.0005","9.4887","0.0003","14.1018","0.0005","90","","94.319","0.001","90","","1666.5","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1H-imidazole- 5-carboxaldehyde","2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1H-imidazole- 5-carboxaldehyde","","- C17 H19 Cl N2 O3 -","- C17 H19 Cl N2 O3 -","- C68 H76 Cl4 N8 O12 -","4","1","FG1810","Nagaraj, B.; Narasimhamurthy, T.; Yathirajan, H. S.; Nagaraja, P.; Narasegowda, R. S.; Rathore, Ravindranath S.","C—halogen···π dimer and C—H···π interactions in 1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1<i>H</i>-imidazole-5-carbaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1<i>H</i>-imidazole-5-carbaldehyde","Acta Crystallographica Section C","2005","61","3","o177","o180","10.1107/S0108270105001794","","","0.71073","MoKα","","0.046","0.0388","","","0.0995","0.1058","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014664","12.813","0.004","13.349","0.004","14.381","0.005","89.282","0.005","79.966","0.004","89.837","0.004","2421.9","1.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","Poly[tetrasodium(I)-tetra-μ~2~-bis(butanedioxy)borato-μ~2~-butanediol]","","- C9 H18.5 B Na O4.5 -","- C9 H18.5 B Na O4.5 -","- C72 H148 B8 Na8 O36 -","8","4","FG1811","Gainsford, Graeme J.; Kemmitt, Tim","Poly[tetrasodium(I)-tetra-μ~2~-bis(butane-1,4-diyldioxy)borato-μ~2~-1,4-butanediol]","Acta Crystallographica Section C","2005","61","3","m136","m138","10.1107/S0108270105002520","","","0.71073","MoKα","","0.0818","0.0603","","","0.1436","0.1538","","","","","","0.992","","","","has coordinates,has Fobs","183154","2020-10-21","18:00:00",""
"2014665","5.7754","0.0008","7.9446","0.0012","30.044","0.005","90","","93.807","0.012","90","","1375.5","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dimethylgenistein","5-hydroxy-4',7-dimethoxyisoflavone","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","FR1473","Zun-Ting Zhang; Xiao-Bing Wang; Qian-Guang Liu; Jian-Bin Zheng; Kai-Bai Yu","Hydrogen bonding and π‒π stacking in dimethylgenistein","Acta Crystallographica Section C","2005","61","1","o29","o31","10.1107/S0108270104009758","","","0.71073","MoKα","","0.054","0.0347","","","0.0817","0.0866","","","","","","0.903","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014666","11.707","0.002","5.4487","0.001","9.6477","0.0019","90","","126.155","0.008","90","","496.89","0.17","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cobalt oxalate dihydrate","catena-Poly[[diaquacobalt(II)]-μ-oxalato]","","- C2 H4 Co O6 -","- C2 H4 Co O6 -","- C8 H16 Co4 O24 -","4","0.5","FR1511","Bacsa, John; Eve, Desmond; Dunbar, Kim R.","<i>catena</i>-Poly[[diaquacobalt(II)]-μ-oxalato]","Acta Crystallographica Section C","2005","61","1","m58","m60","10.1107/S0108270104030409","","","0.71073","MoKα","","0.0334","0.032","","","0.0877","0.0888","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014667","18.0977","0.0012","37.603","0.003","12.9239","0.0009","90","","90","","90","","8795.1","1.1","213","2","213","2","","","","","","","","8","P n n a","-P 2a 2bc","52","Ru2(DPhF)3(OOCMe)(MeCN)(BF4),0.5CH2CL2","(μ-acetato)acetonitriletris(μ-N,N'-diphenylformamidinato)diruthenium tetrafluoroborate dichloromethane hemisolvate","","- C43.5 H40 B Cl F4 N7 O2 Ru2 -","- C43.5 H40 B Cl F4 N7 O2 Ru2 -","- C348 H320 B8 Cl8 F32 N56 O16 Ru16 -","8","1","FR1512","Angaridis, Panagiotis; Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping","A paramagnetic precursor for polymeric supramolecular assemblies based on multiply bonded dimetal units: μ-acetato-acetonitriletris(μ-<i>N</i>,<i>N</i>'-diphenylformamidinato)diruthenium tetrafluoroborate dichloromethane hemisolvate","Acta Crystallographica Section C","2005","61","2","m71","m73","10.1107/S0108270104032408","","","0.71073","MoKα","","0.0753","0.0563","","","0.1348","0.1443","","","","","","1.81","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014668","15.2123","0.0014","14.7393","0.0013","8.955","0.0008","90","","104.649","0.002","90","","1942.6","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ-acetato-κ^8^O:O'-bis[(N^1^,N^2^-di-p-anisylformamidine- κN^2^)ruthenium(II)](Ru—Ru)","","- C38 H44 N4 O12 Ru2 -","- C38 H44 N4 O12 Ru2 -","- C76 H88 N8 O24 Ru4 -","2","0.5","FR1513","Angaridis, Panagiotis; Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiao-Ping","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(<i>N</i>^1^,<i>N</i>^2^-di-<i>p</i>-anisylformamidine-κ<i>N</i>^2^)ruthenium(II)](<i>Ru{—</i>Ru}): an example of an axial bis-adduct of {Ru~2~}^4+^ tetracarboxylate with N-donor ligands","Acta Crystallographica Section C","2005","61","2","m109","m111","10.1107/S0108270104032494","","","0.71073","MoKα","","0.0755","0.0473","","","0.1112","0.134","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014669","15.526","0.004","11.521","0.004","11.828","0.006","90","","98.423","0.015","90","","2092.9","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,3-dimethyl-3-(trichlorogermyl)propionic acid","3,3-dimethyl-3-(trichlorogermyl)propionic acid","","- C5 H9 Cl3 Ge O2 -","- C5 H9 Cl3 Ge O2 -","- C40 H72 Cl24 Ge8 O16 -","8","2","FR1515","Parvez, Masood; Khosa, Kaleem M.; Mazhar, Muhammad; Ali, Saqib; Sohail, Manzar","3-Germyl-3,3-dimethylpropionic acid derivatives","Acta Crystallographica Section C","2005","61","1","m51","m54","10.1107/S0108270104030963","","","0.71073","MoKα","","0.072","0.034","","","0.069","0.079","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014670","7.785","0.001","15.678","0.002","32.703","0.005","90","","96.668","0.005","90","","3964.5","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,3-dimethyl-3-(triphenylgermyl)propionic acid","3,3-dimethyl-3-(triphenylgermyl)propionic acid","","- C23 H24 Ge O2 -","- C23 H24 Ge O2 -","- C184 H192 Ge8 O16 -","8","2","FR1515","Parvez, Masood; Khosa, Kaleem M.; Mazhar, Muhammad; Ali, Saqib; Sohail, Manzar","3-Germyl-3,3-dimethylpropionic acid derivatives","Acta Crystallographica Section C","2005","61","1","m51","m54","10.1107/S0108270104030963","","","0.71073","MoKα","","0.076","0.04","","","0.079","0.093","","","","","","1.01","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014671","20.041","0.003","9.37","0.002","12.816","0.005","90","","108.436","0.009","90","","2283.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,3-dimethyl-3-(tri-p-tolylgermyl)propionic acid","3,3-dimethyl-3-(tri-p-tolylgermyl)propionic acid","","- C26 H30 Ge O2 -","- C26 H30 Ge O2 -","- C104 H120 Ge4 O8 -","4","1","FR1515","Parvez, Masood; Khosa, Kaleem M.; Mazhar, Muhammad; Ali, Saqib; Sohail, Manzar","3-Germyl-3,3-dimethylpropionic acid derivatives","Acta Crystallographica Section C","2005","61","1","m51","m54","10.1107/S0108270104030963","","","0.71073","MoKα","","0.079","0.04","","","0.083","0.095","","","","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014672","6.1251","0.0012","7.3258","0.0015","10.456","0.002","93.35","0.03","91.28","0.03","96","0.03","465.62","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-Diphenyl-1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene","","- C24 H18 N4 -","- C24 H18 N4 -","- C24 H18 N4 -","1","0.5","FR1518","Gao, En-Qing","1,4-Diphenyl-1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene: weak C—H···N and C—H···π hydrogen bonds","Acta Crystallographica Section C","2005","61","2","o110","o111","10.1107/S0108270104034079","","","0.71073","MoKα","","0.0591","0.0411","","","0.1003","0.1095","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014673","17.0906","0.0013","5.9866","0.0003","15.6784","0.0015","90","","108.496","0.007","90","","1521.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzylamino-3-(4-methylbenzyl)-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","FR1519","Yilmaz, Veysel T.; Kazak, Canan; Ağar, Erbil; Kahveci, Bahittin; Guven, Kutalmis","Three 1,2,4-triazole derivatives containing subtituted benzyl and benzylamino groups","Acta Crystallographica Section C","2005","61","2","o101","o104","10.1107/S0108270104033931","","","0.71073","MoKα","","0.0586","0.039","","","0.0988","0.1059","","","","","","0.929","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014674","16.8511","0.0019","5.996","0.005","17.65","0.002","90","","109.403","0.009","90","","1682.1","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Methylbenzyl)-4-(4-methylbenzylamino)-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C18 H20 N4 O -","- C18 H20 N4 O -","- C72 H80 N16 O4 -","4","1","FR1519","Yilmaz, Veysel T.; Kazak, Canan; Ağar, Erbil; Kahveci, Bahittin; Guven, Kutalmis","Three 1,2,4-triazole derivatives containing subtituted benzyl and benzylamino groups","Acta Crystallographica Section C","2005","61","2","o101","o104","10.1107/S0108270104033931","","","0.71073","MoKα","","0.1131","0.0412","","","0.0694","0.0776","","","","","","0.967","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014675","16.5043","0.001","17.4355","0.0013","5.919","0.003","90","","90","","90","","1703.3","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Chlorobenzyl)-4-(4-methylbenzylamino)-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C68 H68 Cl4 N16 O4 -","4","1","FR1519","Yilmaz, Veysel T.; Kazak, Canan; Ağar, Erbil; Kahveci, Bahittin; Guven, Kutalmis","Three 1,2,4-triazole derivatives containing subtituted benzyl and benzylamino groups","Acta Crystallographica Section C","2005","61","2","o101","o104","10.1107/S0108270104033931","","","0.71073","MoKα","","0.072","0.0314","","","0.0479","0.0532","","","","","","0.739","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014676","15.4015","0.0008","5.524","0.0003","22.1182","0.0011","90","","110.367","0.002","90","","1764.13","0.16","298","2","305","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,2',4,4',6,6'-Hexanitroazobenzene (HNAB-III)","bis(2,4,6-trinitrophenyl)diazene","","- C12 H4 N8 O12 -","- C12 H4 N8 O12 -","- C48 H16 N32 O48 -","4","2","GA1037","Mark A. Rodriguez; Charles F. Campana; A. David Rae; Edward Graeber; Bruno Morosin","Form III of 2,2',4,4',6,6'-hexanitroazobenzene (HNAB-III)","Acta Crystallographica Section C","2005","61","3","o127","o130","10.1107/S0108270105000569","","","0.71073","MoKα","","0.0771","0.0377","","","0.0706","0.0856","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014677","13.621","0.003","12.461","0.002","7.232","0.001","90","","93.62","0.03","90","","1225","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4'-(propane-2,2-diyl)diphenol","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","GA1076","Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr; Dziwinski, Euzebiusz","2,4'-Isopropylidenediphenol","Acta Crystallographica Section C","2005","61","1","o45","o46","10.1107/S010827010403015X","","","0.71069","MoKα","","0.067","0.0425","","","0.1105","0.1364","","","","","","1.138","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014678","7.888","0.0015","14.591","0.003","12.955","0.002","90","","91.799","0.003","90","","1490.3","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Chloro(η^6^-ethoxyphenyl){(1R,2R)-N-(p-toluenesulfonyl)- 1,2-diphenylethylenediamino}ruthenium(II) methanol solvate","","- C30 H35 Cl N2 O4 Ru S -","- C30 H35 Cl N2 O4 Ru S -","- C60 H70 Cl2 N4 O8 Ru2 S2 -","2","1","GA1080","Soleimannejad, Janet; Adams, Harry; White, Colin","[(1<i>R</i>,2<i>R</i>)-2-Amino-1,2-diphenyl-<i>N</i>-(<i>p</i>-tolylsulfonyl)ethylamido]chloro(η^6^-ethoxybenzene)ruthenium(II) methanol solvate","Acta Crystallographica Section C","2005","61","3","m125","m126","10.1107/S0108270104033815","","","0.71073","MoKα","","0.0553","0.0386","","","0.0773","0.0829","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014679","11.537","0.004","16.729","0.003","16.882","0.004","90","","95.96","0.02","90","","3240.7","1.5","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,2'-(phenylphosphinediyl)dibenzenethiolato-κ^3^S,P,S']germanium(IV)","","- C36 H26 Ge P2 S4 -","- C36 H26 Ge P2 S4 -","- C144 H104 Ge4 P8 S16 -","4","1","GA1085","Chiang, Michael Y.; Lin, Jing-Wei; Zeng, Wen-Feng","Bis[2,2'-(phenylphosphinediyl)dibenzenethiolato-κ^3^<i>S</i>,<i>P</i>,<i>S</i>']germanium(IV)","Acta Crystallographica Section C","2005","61","2","m84","m86","10.1107/S0108270104033256","","","0.71069","MoKα","","","0.0329","","","","0.0939","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014680","7.995","0.002","9.465","0.002","11.899","0.002","92.12","0.03","98.96","0.03","106.28","0.03","850.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-ethylphenyl acridine-9-carboxylate","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C44 H34 N2 O4 -","2","1","GA1086","Sikorski, Artur; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy","2-Ethylphenyl acridine-9-carboxylate and 2,5-dimethylphenyl acridine-9-carboxylate","Acta Crystallographica Section C","2005","61","1","o50","o52","10.1107/S0108270104030537","","","0.71073","MoKα","","0.1108","0.044","","","0.1037","0.1253","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014681","11.769","0.002","15.404","0.003","10.125","0.002","90","","115.18","0.03","90","","1661.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-dimethylphenyl acridine-9-carboxylate","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","GA1086","Sikorski, Artur; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy","2-Ethylphenyl acridine-9-carboxylate and 2,5-dimethylphenyl acridine-9-carboxylate","Acta Crystallographica Section C","2005","61","1","o50","o52","10.1107/S0108270104030537","","","0.71073","MoKα","","0.0957","0.0362","","","0.0906","0.103","","","","","","0.916","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014682","7.3195","0.0007","15.5186","0.0014","16.424","0.0015","90","","94.182","0.002","90","","1860.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br N2 O5 Re -","- C18 H16 Br N2 O5 Re -","- C72 H64 Br4 N8 O20 Re4 -","4","1","GA1088","Wei, Lihui; Zubieta, Jon","<i>fac</i>-Bromotricarbonyl[2-(2-pyridylmethyl)-2,3-dihydro-1<i>H</i>-isoindol-1-one]rhenium(I) methanol solvate","Acta Crystallographica Section C","2005","61","2","m95","m97","10.1107/S0108270104029592","","","0.71073","MoKα","","0.0348","0.0281","","","0.0606","0.0634","","","","","","1.035","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014683","6.6513","0.0008","9.603","0.005","21.481","0.003","90","","90","","90","","1372","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N5 O4 -","- C12 H17 N5 O4 -","- C48 H68 N20 O16 -","4","1","GA1089","Seela, Frank; Zhang, Yun-Long; Xu, Kui-Ying; Eickmeier, Henning","7-Vinyl-8-aza-7-deaza-2'-deoxyadenosine monohydrate","Acta Crystallographica Section C","2005","61","1","o60","o62","10.1107/S0108270104029476","","","0.71073","MoKα","","0.1252","0.0583","","","0.094","0.1131","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014684","8.7169","0.0005","11.2997","0.0005","9.794","0.0005","90","","104.534","0.004","90","","933.82","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl (2-pyridylmethyl)phosphonate","","- C8 H12 N O3 P -","- C8 H12 N O3 P -","- C32 H48 N4 O12 P4 -","4","1","GA1090","Chęcińska, Lilianna; Małecka, Magdalena; Aranowska, Katarzyna; Ochocki, Justyn","Ethyl (2-pyridylmethyl)phosphonate","Acta Crystallographica Section C","2005","61","1","o4","o6","10.1107/S0108270104029221","","","1.54178","CuKα","","0.0631","0.0455","","","0.1258","0.1338","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014685","7.2209","0.0006","9.6252","0.0007","15.0478","0.0012","98.251","0.001","92.279","0.001","94.196","0.001","1030.92","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[bis[aqua(1,10-phenanthroline-κ^2^N,N')lead(II)]- di-μ^3^-5-carboxy-3-sulfonatobenzoato- 1:2:1'κ^4^O^3^:O^1^,O^1'^:O^1^;2':1:2κ^4^O^1^:O^1^,O^1'^:O^3^] dihydrate]","","- C20 H16 N2 O9 Pb S -","- C20 H16 N2 O9 Pb S -","- C40 H32 N4 O18 Pb2 S2 -","2","1","GA1091","Li, Xin-Hua; Xiao, Hong-Ping; Zhang, Qiao; Hu, Mao-Lin","<i>catena</i>-Poly[[bis[aqua(1,10-phenanthroline)lead(II)]-di-μ~3~-5-carboxy-3-sulfonatobenzoato] dihydrate]","Acta Crystallographica Section C","2005","61","3","m130","m132","10.1107/S0108270105000132","","","0.71073","MoKα","","0.0255","0.0238","","","0.0576","0.0583","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014686","16.888","0.005","11.722","0.005","20.258","0.007","90","","112.483","0.005","90","","3705","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[[diaquadicadmium(II)-di-μ~2~-4,4'-bipyridyl-di-μ~2~-2-sulfonatobenzoato] dihydrate]","","- C34 H32 Cd2 N4 O14 S2 -","- C34 H32 Cd2 N4 O14 S2 -","- C136 H128 Cd8 N16 O56 S8 -","4","0.5","GD1351","Su, Wei; Bi, Wen-Hua; Li, Xing; Cao, Rong","A novel three-dimensional supramolecular coordination polymer: poly[[diaquadicadmium(II)-di-μ~2~-4,4'-bipyridyl-di-μ~2~-2-sulfonatobenzoato] dihydrate]","Acta Crystallographica Section C","2005","61","1","m16","m18","10.1107/S0108270104028434","","","0.71073","MoKα","","0.0288","0.0267","","","0.0588","0.0599","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014687","12.76","0.008","13.346","0.009","19.758","0.013","91.619","0.012","97.925","0.011","106.44","0.01","3188","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","di-μ-4-methylbenzoato-κ^4^O:O'-bis[bis(4-methylbenzoato- κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')dysprosium(III)] tetra-μ-4-methylbenzoato-κ^8^O:O'-bis[(4-methylbenzoato- κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')dysprosium(III)]","","- C72 H58 Dy2 N4 O12 -","- C72 H58 Dy2 N4 O12 -","- C144 H116 Dy4 N8 O24 -","2","1","GD1354","Li, Xia; Zhang, Zhuo-Yong; Wang, Dao-Yong; Song, Hai-Bin; Zou, Ying-Quan","Dimeric hexakis(4-methylbenzoato)bis(1,10-phenanthroline)didysprosium(III)","Acta Crystallographica Section C","2005","61","2","m81","m83","10.1107/S0108270104032585","","","0.71073","MoKα","","0.0811","0.0434","","","0.0906","0.1214","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014688","7.8016","0.0008","7.6538","0.0009","16.5597","0.0017","90","","93.966","0.009","90","","986.44","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium chlorate(VII) monohydrate","","- C21 H25 Cl N2 O7 -","- C21 H25 Cl N2 O7 -","- C42 H50 Cl2 N4 O14 -","2","1","GD1357","Agata Białońska; Zbigniew Ciunik","Similar environments for the ClO~4~^{-^}, HSO~4~^{-^} and H~2~PO~4~^{-^} anions offered by strychnine self-assemblies","Acta Crystallographica Section C","2005","61","3","o161","o164","10.1107/S0108270105001034","","","0.71073","MoKα","","0.0733","0.0545","","","0.1318","0.1401","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014689","7.7884","0.0008","7.6686","0.0008","17.578","0.0018","90","","100.388","0.007","90","","1032.66","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium hydrogen sulphate (VI) dihydrate","","- C21 H28 N2 O8 S -","- C21 H28 N2 O8 S -","- C42 H56 N4 O16 S2 -","2","1","GD1357","Agata Białońska; Zbigniew Ciunik","Similar environments for the ClO~4~^{-^}, HSO~4~^{-^} and H~2~PO~4~^{-^} anions offered by strychnine self-assemblies","Acta Crystallographica Section C","2005","61","3","o161","o164","10.1107/S0108270105001034","","","0.71073","MoKα","","0.054","0.0466","","","0.1181","0.1257","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014690","7.6407","0.0012","7.6624","0.0009","17.992","0.002","90","","91.203","0.012","90","","1053.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium dihydrogen phosphate(V) dihydrate","","- C21 H29 N2 O8 P -","- C21 H29 N2 O8 P -","- C42 H58 N4 O16 P2 -","2","1","GD1357","Agata Białońska; Zbigniew Ciunik","Similar environments for the ClO~4~^{-^}, HSO~4~^{-^} and H~2~PO~4~^{-^} anions offered by strychnine self-assemblies","Acta Crystallographica Section C","2005","61","3","o161","o164","10.1107/S0108270105001034","","","0.71073","MoKα","","0.0851","0.0542","","","0.0753","0.0826","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014691","16.993","0.003","22.455","0.005","13.391","0.003","90","","103.48","0.03","90","","4968.9","1.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-Dibenzyl-4,13-diaza-18-crown-6","7,16-Dibenzyl-1,4,10,13-tetraoxo-7,16-diazacyclooctadecane","","- C26 H38 N2 O4 -","- C26 H38 N2 O4 -","- C208 H304 N16 O32 -","8","2","GD1362","Basok, Stepan S.; Croitoru Lilia; Fonari, Marina S.; Ganin, Eduard V.; Gelmboldt, Vladimir O.; Lipkowski, Janusz; Simonov, Yurii A.","A new phase of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, and 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(tetrafluoroborate) monohydrate, both determined at 123K","Acta Crystallographica Section C","2005","61","3","o188","o192","10.1107/S010827010500260X","","","0.71073","MoKα","","0.1355","0.0764","","","0.1257","0.1411","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014692","7.929","0.0006","9.387","0.0006","11.607","0.0007","69.342","0.004","72.226","0.004","81.48","0.004","768.98","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","N,N'-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis tetrafluoroborate monohydrate","N,N'-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis tetrafluoroborate monohydrate","","- C26 H40 B2 F8 N2 O4.2 -","- C26 H40 B2 F8 N2 O4.204 -","- C26 H40 B2 F8 N2 O4.204 -","1","0.5","GD1362","Basok, Stepan S.; Croitoru Lilia; Fonari, Marina S.; Ganin, Eduard V.; Gelmboldt, Vladimir O.; Lipkowski, Janusz; Simonov, Yurii A.","A new phase of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, and 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(tetrafluoroborate) monohydrate, both determined at 123K","Acta Crystallographica Section C","2005","61","3","o188","o192","10.1107/S010827010500260X","","","0.71073","MoKα","","0.0542","0.0406","","","0.0972","0.1023","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014693","16.5198","0.0016","7.3512","0.0007","7.6309","0.0006","90","","107.06","0.01","90","","885.92","0.15","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","poly[[bis(3-methylpyridine)cadmium(II)]-tetra-μ-cyano-nickel(II)]","","- C16 H14 Cd N6 Ni -","- C16 H14 Cd N6 Ni -","- C32 H28 Cd2 N12 Ni2 -","2","0.25","GD1364","Aygün, Muhittin; Utlu, Gökhan; Gökçe, Aytaç Gürhan; Akyüz, Sevim; Özbey, Süheyla","The two-dimensional coordination polymer poly[[bis(3-methylpyridine)cadmium(II)]-tetra-μ-cyano-nickel(II)]","Acta Crystallographica Section C","2005","61","3","m117","m118","10.1107/S0108270105000636","","","0.71073","MoKα","","0.0296","0.0283","","","0.0828","0.0843","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014694","13.653","0.004","13.637","0.005","11.893","0.004","90","","112.19","0.03","90","","2050.3","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3,5-tri-tert-butyl-2,4-difluoro-6-phenylcyclotriborazane","","- C18 H32 B3 F2 N3 -","- C18 H32 B3 F2 N3 -","- C72 H128 B12 F8 N12 -","4","0.5","GG1227","Chivers, Tristram; Fedorchuck, Chantall; Parvez, Masood","An asymmetrically substituted borazine","Acta Crystallographica Section C","2005","61","1","o47","o49","10.1107/S0108270104030410","","","0.71069","MoKα","","0.049","0.043","","","0.117","0.124","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014695","10.7732","0.0004","18.3479","0.0007","27.5862","0.0009","90","","90","","90","","5452.8","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(tetrabutylammonium) tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV)","","- C41 H72 N2 O3 S12 Sn -","- C41 H72 N2 O3 S12 Sn -","- C164 H288 N8 O12 S48 Sn4 -","4","1","GG1230","Comerlato, Nadia M.; Ferreira, Glaucio B.; Harrison, William T. A.; Howie, R. Alan; Wardell, James L.","Bis(tetra-<i>n</i>-butylammonium) and bis(tetraphenylphosphonium) salts of tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV), both at 120K","Acta Crystallographica Section C","2005","61","3","m139","m143","10.1107/S0108270105001782","","","0.71073","MoKα","","0.0844","0.05","","","0.0988","0.1097","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014696","14.2844","0.0002","26.4828","0.0004","15.4538","0.0002","90","","90.4168","0.0006","90","","5845.88","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(tetraphenylphosphonium) tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV)","","- C57 H40 O3 P2 S12 Sn -","- C57 H40 O3 P2 S12 Sn -","- C228 H160 O12 P8 S48 Sn4 -","4","1","GG1230","Comerlato, Nadia M.; Ferreira, Glaucio B.; Harrison, William T. A.; Howie, R. Alan; Wardell, James L.","Bis(tetra-<i>n</i>-butylammonium) and bis(tetraphenylphosphonium) salts of tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV), both at 120K","Acta Crystallographica Section C","2005","61","3","m139","m143","10.1107/S0108270105001782","","","0.71073","MoKα","","0.0445","0.0307","","","0.0734","0.078","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014697","5.4146","0.0012","10.969","0.002","19.968","0.004","90","","90","","90","","1186","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","7-Deaza-2'-deoxyguanosine","2-amino-7-(2-deoxy-β-D-erythro-pentofuranosyl-3,7- dihydropyrrolo[2,3-d]pyrimidin-4-one","","- C11 H14 N4 O4 -","- C11 H14 N4 O4 -","- C44 H56 N16 O16 -","4","1","GG1237","Seela, Frank; Shaikh, Khalil I.; Eickmeier, Henning","7-Deaza-2'-deoxyguanosine","Acta Crystallographica Section C","2005","61","3","o151","o153","10.1107/S0108270105000971","","","0.71073","MoKα","","0.0808","0.0507","","","0.1063","0.1195","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014698","14.5478","0.0011","4.9229","0.0004","11.3006","0.0009","90","","100.711","0.001","90","","795.22","0.11","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(p-tolylethynyl)benzene","","- C24 H18 -","- C24 H18 -","- C48 H36 -","2","0.5","GG1238","Filatov, Alexander S.; Petrukhina, Marina A.","1,4-Bis(<i>p</i>-tolylethynyl)benzene","Acta Crystallographica Section C","2005","61","3","o193","o194","10.1107/S0108270105000983","","","0.71073","MoKα","","0.0577","0.0449","","","0.1374","0.1438","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014699","7.398","0.002","8.413","0.002","38.628","0.011","90","","90","","90","","2404.2","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate","(S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl 4,7,7-trimethyl-3-oxo-2-oxobicyclo[2.2.1]heptane-1-carboxylate","","- C28 H32 O5 -","- C28 H32 O5 -","- C112 H128 O20 -","4","1","HJ1032","Esterhuysen, Catharine; Bredenkamp, Martin W.; Lloyd, Gareth O.","Resolution of (<i>S</i>,<i>S</i>)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization","Acta Crystallographica Section C","2005","61","1","o32","o34","10.1107/S0108270104029671","","","0.71073","MoKα","","0.0531","0.0385","","","0.0777","0.082","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014700","7.071","0.0005","6.85","0.0004","48.717","0.004","90","","90","","90","","2359.7","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(R,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate","(R,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl 4,7,7-trimethyl-3-oxo-2-oxobicyclo[2.2.1]heptane-1-carboxylate","","- C28 H32 O5 -","- C28 H32 O5 -","- C112 H128 O20 -","4","1","HJ1032","Esterhuysen, Catharine; Bredenkamp, Martin W.; Lloyd, Gareth O.","Resolution of (<i>S</i>,<i>S</i>)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization","Acta Crystallographica Section C","2005","61","1","o32","o34","10.1107/S0108270104029671","","","0.71073","MoKα","","0.0839","0.067","","","0.1236","0.1306","","","","","","1.191","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014701","10.2353","0.0008","12.1885","0.0009","24.9647","0.0019","90","","93.895","0.002","90","","3107.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-1,2-Bis(4-pyridyl)ethene-κ^2^N:N'-bis(tetraaqua{4-[2-(4- pyridinio)ethenyl]pyridine-κN}cobalt(II)) hexaaquacobalt(II) tetrakis(sulfate) octahydrate","","- C36 H76 Co3 N6 O38 S4 -","- C36 H76 Co3 N6 O38 S4 -","- C72 H152 Co6 N12 O76 S8 -","2","0.5","HJ1033","Xin-Hua Li; Hong-Ping Xiao; Sai-Zhen Yang","μ-1,2-Bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>'-bis(tetraaqua{4-[2-(4-pyridinio)ethenyl]pyridine-κ<i>N</i>}cobalt(II)) hexaaquacobalt(II) tetrakis(sulfate) octahydrate","Acta Crystallographica Section C","2005","61","2","m112","m114","10.1107/S0108270104030434","","","0.71073","MoKα","","0.083","0.0679","","","0.1377","0.144","","","","","","1.195","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014702","26.522","0.006","6.872","0.0013","13.811","0.004","90","","120.93","0.007","90","","2159.2","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Pt(PEt~3~)Br~2~]~2~","trans-Di-μ-bromo-bis[bromo(triethylphosphine-κP)platinum(II)]","","- C12 H30 Br4 P2 Pt2 -","- C12 H30 Br4 P2 Pt2 -","- C48 H120 Br16 P8 Pt8 -","4","0.5","HJ1034","Cornet, Stéphanie M. M.; Dillon, Keith. B.; Goeta, Andrés E.; Thompson, Amber L.","<i>trans</i>-Di-μ-bromo-bis[bromo(triethylphosphine-κ<i>P</i>)platinum(II)]","Acta Crystallographica Section C","2005","61","2","m74","m75","10.1107/S0108270104032731","","","0.71073","MoKα","","0.0226","0.0198","","","0.0448","0.0457","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014703","9.251","0.0003","16.4054","0.0005","17.8005","0.0005","113.016","0.001","93.684","0.001","101.966","0.001","2400.55","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[[tris[(5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetracyclotetradiene)copper(II)]-tri-μ-cyamo-bis[tricyanocobalt(III)]]dimethylformamide solvate trihydrate]","","- C87 H109 Co2 Cu3 N25 O4 -","- C87 H109 Co2 Cu3 N25 O4 -","- C87 H109 Co2 Cu3 N25 O4 -","1","0.5","HJ1035","Li, Yan-Ping; Yang, Pin; Huang, Zi-Xiang; Xie, Fu-Xin","Cyano-bridged extended heteronuclear supramolecular architectures with hexacyanocobalt(III) as building blocks","Acta Crystallographica Section C","2005","61","3","m122","m124","10.1107/S0108270104033943","","","0.71073","MoKα","","0.0938","0.0755","","","0.1873","0.2004","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014704","10.1224","0.0004","34.3476","0.0016","10.9696","0.0004","90","","108.435","0.003","90","","3618.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tri-μ~2~-chloro-tetrachloro-μ~3~-oxo-hexakis(tetrahydrofuran- κO)dititanium(III)samarium(III)","","- C24 H48 Cl7 O7 Sm Ti2 -","- C24 H48 Cl7 O7 Sm Ti2 -","- C96 H192 Cl28 O28 Sm4 Ti8 -","4","0.5","HJ1036","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","Tri-μ~2~-chloro-tetrachloro-μ~3~-oxo-hexakis(tetrahydrofuran-κ<i>O</i>)dititanium(III)samarium(III): a novel trinuclear Sm‒Ti mixed species","Acta Crystallographica Section C","2005","61","2","m64","m66","10.1107/S0108270104032986","","","0.71073","MoKα","","0.0264","0.0228","","","0.0528","0.0539","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014705","18.7505","0.001","4.6414","0.001","11.3866","0.001","90","","98.394","0.01","90","","980.3","0.2","293","2","","","","","","","","","","3","P 1 c 1","P -2yc","7","","Bis[4-(3-pyridylmethyleneamino)phenyl]methane","","- C25 H20 N4 -","- C25 H20 N4 -","- C50 H40 N8 -","2","1","HJ1037","Wang, Qing; Pi, Xiang-Dong; Su, Cheng-Yong","Bis[4-(3-pyridylmethyleneamino)phenyl]methane","Acta Crystallographica Section C","2005","61","2","o73","o74","10.1107/S010827010403272X","","","0.71073","MoKα","","","0.0351","","","","0.0706","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014706","16.0933","0.0002","10.21","0.0001","3.49811","0.00004","90","","90","","90","","574.784","0.011","295","","295","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","sodium calcium orthoborate","","- B4 Ca4 Na4 O12 -","- B4 Ca4 Na4 O12 -","- B8 Ca8 Na8 O24 -","2","0.25","IZ1043","Wu, L.; X.-L. Chen; Li, X.-Z.; Dai, L.; Xu, Y.-P.; Zhao, M.","Synthesis and <i>ab initio</i> X-ray powder diffraction structure of the new alkali and alkali earth metal borate NaCa(BO~3~)","Acta Crystallographica Section C","2005","61","3","i32","i34","10.1107/S010827010401964X","","","1.54056","CuKα~1~","","","","","","","","","","2.06","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014707","25.572","0.005","4.4516","0.0009","24.967","0.005","90","","99.85","0.03","90","","2800.3","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","α-Disamarium tetraborate","Disamarium tetraborate","","- B4 O9 Sm2 -","- B4 O9 Sm2 -","- B80 O180 Sm40 -","20","2.5","IZ1049","Emme, Holger; Huppertz, Hubert","High-pressure syntheses of α-RE~2~B~4~O~9~ (RE = Sm, Ho), with a structure type displaying edge-sharing BO~4~ tetrahedra","Acta Crystallographica Section C","2005","61","3","i29","i31","10.1107/S0108270104030446","","","0.71073","MoKα","","0.0186","0.0135","","","0.0279","0.0287","","","","","","0.952","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014708","25.09","0.005","4.3941","0.0009","24.742","0.005","90","","99.83","0.03","90","","2687.7","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","α-Diholmium tetraborate","Diholmium tetraborate","","- B4 Ho2 O9 -","- B4 Ho2 O9 -","- B80 Ho40 O180 -","20","2.5","IZ1049","Emme, Holger; Huppertz, Hubert","High-pressure syntheses of α-RE~2~B~4~O~9~ (RE = Sm, Ho), with a structure type displaying edge-sharing BO~4~ tetrahedra","Acta Crystallographica Section C","2005","61","3","i29","i31","10.1107/S0108270104030446","","","0.71073","MoKα","","0.0381","0.0328","","","0.0757","0.0772","","","","","","1.024","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014709","5.2082","0.001","7.3705","0.0015","7.8068","0.0016","96.35","0.03","106.91","0.03","92.79","0.03","283.93","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[disilver(I)-μ~8~-1,5-naphthalenedisulfonato- 3,4-η:7,8-η:κ^6^O:O':O'':O''':O'''':O''''']","","- C10 H6 Ag2 O6 S2 -","- C10 H6 Ag2 O6 S2 -","- C10 H6 Ag2 O6 S2 -","1","0.5","JZ1673","Gao, Shan; Lu, Zhen-Zhong; Huo, Li-Hua; Zhu, Zhi-Biao; Zhao, Hui","Poly[disilver(I)-μ~8~-1,5-naphthalenedisulfonato]","Acta Crystallographica Section C","2005","61","1","m22","m24","10.1107/S0108270104029701","","","0.71073","MoKα","","0.0345","0.0339","","","0.091","0.0916","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014710","6.1036","0.0008","7.2946","0.0011","8.5571","0.0013","99.605","0.012","92.776","0.012","113.758","0.011","340.98","0.09","296","","296","","","","","","","","","5","P -1","-P 1","2","","trans-Diaquabis(6-hydroxypicolinato-κ^2^N,O^2^)copper(II)","","- C12 H12 Cu N2 O8 -","- C12 H12 Cu N2 O8 -","- C12 H12 Cu N2 O8 -","1","0.5","JZ1676","S̨engül, Abdurrahman; Büyükgüngör, Orhan","<i>trans</i>-Diaquabis(6-hydroxypicolinato-κ^2^<i>N</i>,<i>O</i>^2^)copper(II)","Acta Crystallographica Section C","2005","61","3","m119","m121","10.1107/S0108270104031178","","","0.71073","MoKα","","0.0346","0.0293","","","0.0692","0.0707","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014711","16.6892","0.0009","13.8568","0.0008","20.425","0.0012","90","","105.225","0.001","90","","4557.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-(p-phenylenediethynyl)-bis[(trimethyl phosphite)gold(I)] dichloromethane hemisolvate","","- C16.5 H33 Au2 Cl O6 P2 -","- C16.5 H23 Au2 Cl O6 P2 -","- C132 H184 Au16 Cl8 O48 P16 -","8","1","JZ1684","Millar, David; Zakharov, Lev N.; Rheingold, Arnold L.; Linda H. Doerrer","Aurophilic interactions in μ-<i>p</i>-phenylenediethynyl-bis[(trimethyl phosphite)gold(I)] dichloromethane hemisolvate","Acta Crystallographica Section C","2005","61","2","m90","m92","10.1107/S0108270104033402","","","0.71073","MoKα","","0.0248","0.0202","","","0.0494","0.0515","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014712","6.7053","0.0018","8.823","0.002","14.547","0.004","90.272","0.003","101.316","0.003","103.116","0.004","820.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aquachloro(2,2'-bi-1H-imidazole)copper(II) chloro(iminodiacetato)copper(II) monohydrate","","- C10 H15 Cl2 Cu2 N5 O6 -","- C10 H15 Cl2 Cu2 N5 O6 -","- C20 H30 Cl4 Cu4 N10 O12 -","2","1","OB1205","Gao, Xiao-Li; Wei, Yi-Bin; Li, Yan-Ping; Yang, Pin","Aqua(2,2'-bi-1<i>H</i>-imidazole)chlorocopper(II) chloro(iminodiacetato)copper(II) monohydrate","Acta Crystallographica Section C","2005","61","1","m10","m12","10.1107/S0108270104028732","","","0.71073","MoKα","","0.0505","0.0398","","","0.095","0.0995","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014713","7.025","0.001","6.724","0.001","20.2","0.004","90","","90.27","0.03","90","","954.2","0.3","293","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-amino-4,6-dimethylpyrimidinium hydrogensulfate","2-amino-4,6-dimethylpyrimidinium hydrogen sulfate","","- C6 H11 N3 O4 S -","- C6 H11 N3 O4 S -","- C24 H44 N12 O16 S4 -","4","1","OB1206","Madhukar Hemamalini; Packianathan Thomas Muthiah; Urszula Rychlewska; Agnieszka Plutecka","Hydrogen-bonding patterns in 2-amino-4,6-dimethylpyrimidinium hydrogen sulfate","Acta Crystallographica Section C","2005","61","2","o95","o97","10.1107/S0108270104030975","","","0.71073","MoKα","","0.031","0.0268","","","0.0701","0.0723","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014714","7.534","0.004","9.621","0.005","11.051","0.005","113.233","0.008","96.932","0.009","106.746","0.009","679.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","di-μ-sulfito-κ^3^O,O':O'';κ^3^O:O',O''-bis[(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')zinc(II)] dihydrate","","- C24 H28 N4 O8 S2 Zn2 -","- C24 H28 N4 O8 S2 Zn2 -","- C24 H28 N4 O8 S2 Zn2 -","1","0.5","OB1207","M. Enriqueta Díaz de Vivar; Sergio Baggio; Muõz, Juan Carlos; Ricardo Baggio","Di-μ-sulfito-bis[(4,4'-dimethyl-2,2'-bipyridine)zinc(II)] dihydrate and poly[[aqua(1,10-phenanthroline)zinc(II)]-μ~3~-sulfito-zinc(II)-μ~3~-sulfito]","Acta Crystallographica Section C","2005","61","1","m30","m33","10.1107/S0108270104029865","","","0.7107","MoKα","","0.072","0.0639","","","0.1765","0.182","","","","","","1.013","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014715","8.0271","0.0016","9.4817","0.0019","10.286","0.002","80.98","0.03","80.39","0.03","75.55","0.03","742","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[[aqua(1,10-phenanthroline-κ^2^N,N')zinc(II)]-μ~3~-sulfito-κ^2^O:O':O''- zinc(II)-μ~3~-sulfito-κ^3^O:O:O']","","- C12 H10 N2 O7 S2 Zn2 -","- C12 H10 N2 O7 S2 Zn2 -","- C24 H20 N4 O14 S4 Zn4 -","2","1","OB1207","M. Enriqueta Díaz de Vivar; Sergio Baggio; Muõz, Juan Carlos; Ricardo Baggio","Di-μ-sulfito-bis[(4,4'-dimethyl-2,2'-bipyridine)zinc(II)] dihydrate and poly[[aqua(1,10-phenanthroline)zinc(II)]-μ~3~-sulfito-zinc(II)-μ~3~-sulfito]","Acta Crystallographica Section C","2005","61","1","m30","m33","10.1107/S0108270104029865","","","0.71073","MoKα","","0.0811","0.0304","","","0.0693","0.0787","","","","","","0.966","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014716","21.06","0.005","12.643","0.004","12.018","0.008","90","","90","","90","","3200","2","93.1","","","","","","","","","","","5","P m m a","-P 2a 2a","51","","Tetra-n-butylammonium bromide‒water (1/38)","","- C16 H112 Br N O38 -","- C16 H38 Br N O38 -","- C32 H76 Br2 N2 O76 -","2","0.25","OB1208","Shimada, Wataru; Shiro, Motoo; Kondo, Hidemasa; Takeya, Satoshi; Oyama, Hiroyuki; Ebinuma, Takao; Narita, Hideo","Tetra-<i>n</i>-butylammonium bromide‒water (1/38)","Acta Crystallographica Section C","2005","61","2","o65","o66","10.1107/S0108270104032743","","","0.7107","MoKα","","","0.059","","","","0.156","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014717","7.3032","0.0009","14.038","0.0012","24.1952","0.0018","90","","91.812","0.004","90","","2479.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[bis(benzimidazole)(salicylato-κO)copper(II)]- μ-salicylato-O,O':O'']","","- C28 H22 Cu N4 O6 -","- C28 H22 Cu N4 O6 -","- C112 H88 Cu4 N16 O24 -","4","1","OB1209","Hong Li; Kai-Liang Yin; Duan-Jun Xu","<i>catena</i>-Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(salicylato-κ<i>O</i>)copper(II)]-μ-salicylato-<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2005","61","1","m19","m21","10.1107/S0108270104029580","","","0.71073","MoKα","","0.052","0.036","","","0.079","0.084","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014718","20.8346","0.0007","8.0289","0.0003","21.3189","0.0008","90","","90","","90","","3566.2","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Di-μ-acetato-bis[bis(4-aminobenzoato)(2,2'-bipyridyl)manganese(II)]","","- C38 H34 Mn2 N6 O8 -","- C38 H34 Mn2 N6 O8 -","- C152 H136 Mn8 N24 O32 -","4","1","OB1213","Zhang, Quan-Zheng; Lu, Can-Zhong","Di-μ-acetato-bis[bis(4-aminobenzoato)(2,2'-bipyridyl)manganese(II)]","Acta Crystallographica Section C","2005","61","2","m78","m80","10.1107/S0108270104032615","","","0.71073","MoKα","","0.0432","0.0401","","","0.0978","0.1007","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014719","13.2321","0.0014","8.9874","0.0006","13.9519","0.0015","90","","103.854","0.008","90","","1610.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(acesulfamato)tetraaquacobalt(II)","tetraaquabis[6-methyl-1,2,3-oxathiazin-4(3H)-onato 2,2-dioxide-κN]cobalt(II)","","- C8 H16 Co N2 O12 S2 -","- C8 H16 Co N2 O12 S2 -","- C32 H64 Co4 N8 O48 S8 -","4","0.5","SK1780","İçbudak, Hasan; Bulut, Ahmet; Çetin, Naziye; Kazak, Canan","Bis(acesulfamato)tetraaquacobalt(II)","Acta Crystallographica Section C","2005","61","1","m1","m3","10.1107/S0108270104028574","","","0.71073","MoKα","","0.0364","0.0279","","","0.0658","0.0675","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014720","5.0116","0.0003","8.9507","0.0006","16.0882","0.0011","86.095","0.001","84.841","0.001","78.241","0.001","702.75","0.08","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","6-methyl-5-(N-methylcarbamoyl)-4-phenyl-1,2,3,4-dihydropyrimidine-2-thione monohydrate","","- C13 H17 N3 O2 S -","- C13 H17 N3 O2 S -","- C26 H34 N6 O4 S2 -","2","1","SK1782","K. Ravikumar; B. Sridhar","Two carbamoyl-substituted dihydropyrimidines: potential mimics of dihydropyridine calcium channel blockers","Acta Crystallographica Section C","2005","61","1","o41","o44","10.1107/S0108270104028926","","","0.71073","MoKα","","0.0437","0.0412","","","0.1126","0.1149","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014721","4.8853","0.0003","9.7093","0.0007","16.0343","0.0011","79.506","0.001","84.792","0.001","82.834","0.001","740.18","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","4-(4-chlorophenyl)-6-methyl-5-(N-methylcarbamoyl)-1,2,3,4-dihydropyrimidine- 2-thione monohydrate","","- C13 H16 Cl N3 O2 S -","- C13 H16 Cl N3 O2 S -","- C26 H32 Cl2 N6 O4 S2 -","2","1","SK1782","K. Ravikumar; B. Sridhar","Two carbamoyl-substituted dihydropyrimidines: potential mimics of dihydropyridine calcium channel blockers","Acta Crystallographica Section C","2005","61","1","o41","o44","10.1107/S0108270104028926","","","0.71073","MoKα","","0.0614","0.0554","","","0.1459","0.1504","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014722","7.5939","0.001","9.2822","0.0018","18.164","0.002","90","","90","","90","","1280.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Bromo-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H- pyrazolo[3,4-d]pyrimidine-4,6-diamine","","- C10 H13 Br N6 O3 -","- C10 H13 Br N6 O3 -","- C40 H52 Br4 N24 O12 -","4","1","SK1785","Seela, Frank; Sirivolu, Venkata Ramana; He, Junlin; Eickmeier, Henning","3-Bromo-1-(2-deoxy-β-<small>D</small>-<i>erythro</i>-pentofuranosyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamine: a nucleoside which strongly enhances DNA duplex stability","Acta Crystallographica Section C","2005","61","2","o67","o69","10.1107/S0108270104032123","","","0.71073","MoKα","","0.0909","0.0563","","","0.1224","0.1394","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014723","6.742","0.007","12.174","0.004","25.893","0.006","90","","90","","90","","2125","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17-Oxo-5α-androstane-3α,4β-diyl diacetate","","- C23 H34 O5 -","- C23 H34 O5 -","- C92 H136 O20 -","4","1","SK1786","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Fernandes Roleira, F.M.; Tavares da Silva, E.J.","17-Oxo-5α-androstane-3α,4β-diyl diacetate and 17-oxo-5β-androstane-3α,4β-diyl diacetate","Acta Crystallographica Section C","2005","61","3","o131","o133","10.1107/S0108270104034250","","","0.71073","MoKα","","0.1132","0.0408","","","0.0918","0.1274","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014724","22.885","0.003","22.885","0.004","7.9582","0.0012","90","","90","","120","","3609.5","1","293","2","293","2","","","","","","","","3","P 65","P 65","170","","17-Oxo-5β-androstane-3α,4β-diyl diacetate","","- C23 H34 O5 -","- C23 H34 O5 -","- C138 H204 O30 -","6","1","SK1786","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Fernandes Roleira, F.M.; Tavares da Silva, E.J.","17-Oxo-5α-androstane-3α,4β-diyl diacetate and 17-oxo-5β-androstane-3α,4β-diyl diacetate","Acta Crystallographica Section C","2005","61","3","o131","o133","10.1107/S0108270104034250","","","0.71073","MoKα","","0.1164","0.0463","","","0.1184","0.1398","","","","","","0.871","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014725","16.453","0.003","7.173","0.001","22.368","0.003","90","","107.26","0.02","90","","2520.9","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5,6,8,9-Pentachloropyrimido[1,2a][1,8]naphthyridin-10-one","","- C11 H2 Cl5 N3 O -","- C11 H2 Cl5 N3 O -","- C88 H16 Cl40 N24 O8 -","8","2","SK1788","Bortoluzzi, Adailton J.; Joussef, Antonio C.; Silva, Luiz E.; Rebelo, Ricardo A.","4,5,6,8,9-Pentachloropyrimido[1,2-<i>a</i>][1,8]naphthyridin-10-one","Acta Crystallographica Section C","2005","61","1","o1","o3","10.1107/S0108270104031713","","","0.71073","MoKα","","0.0461","0.0353","","","0.1052","0.1113","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014726","12.853","0.0002","5.602","0.0006","16.598","0.0008","90","","93.241","0.002","90","","1193.19","0.14","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(1H-Indol-3-yl)-2-(3-thienyl)acrylonitrile","","- C15 H10 N2 S -","- C15 H10 N2 S -","- C60 H40 N8 S4 -","4","1","SK1789","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(3-thienyl)acrylonitrile and (<i>Z</i>)-3-[1-(4-<i>tert</i>-butylbenzyl)-1<i>H</i>-indol-3-yl]-2-(3-thienyl)acrylonitrile","Acta Crystallographica Section C","2005","61","2","o78","o80","10.1107/S0108270104032925","","","0.71073","MoKα","","0.0899","0.0473","","","0.1004","0.1157","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014727","25.4535","0.0004","6.2152","0.0001","28.1787","0.0004","90","","102.797","0.001","90","","4347.1","0.12","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Z)-3-[1-(4-tert-Butylbenzyl)-1H-indol-3-yl]-2-(3-thienyl)acrylonitrile","","- C26 H24 N2 S -","- C26 H24 N2 S -","- C208 H192 N16 S8 -","8","1","SK1789","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(3-thienyl)acrylonitrile and (<i>Z</i>)-3-[1-(4-<i>tert</i>-butylbenzyl)-1<i>H</i>-indol-3-yl]-2-(3-thienyl)acrylonitrile","Acta Crystallographica Section C","2005","61","2","o78","o80","10.1107/S0108270104032925","","","1.54178","CuKα","","0.0469","0.0426","","","0.113","0.1157","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014728","8.421","0.002","11.915","0.002","13.932","0.002","90","","104.04","0.02","90","","1356.1","0.5","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ti(DMP)(NMe2)2Cl","chlorobis(dimethylamido)(η^5^-2,5-dimethylpyrrolyl)titanium(IV)","","- C10 H20 Cl N3 Ti -","- C10 H20 Cl N3 Ti -","- C40 H80 Cl4 N12 Ti4 -","4","1","SK1790","Duarte, M. Teresa; Ferreira, A.; Dias, A. R.; Salema, M. M.; Ferreira da Silva, João","Chlorobis(dimethylamido)(η^5^-2,5-dimethylpyrrolyl)titanium(IV), [Ti(NMe~2~)~2~(DMP)Cl]","Acta Crystallographica Section C","2005","61","2","m104","m106","10.1107/S0108270104031695","","","1.5418","CuKα","","0.0686","0.0494","","","0.1258","0.1417","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014729","7.1134","0.0002","12.0842","0.0005","14.319","0.0006","90","","92.624","0.002","90","","1229.57","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-Nitrobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","SK1791","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in (<i>E</i>)-2-nitrobenzaldehyde 4-nitrophenylhydrazone and a hydrogen-bonded framework structure in (<i>E</i>)-4-nitrobenzaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","1","o10","o14","10.1107/S0108270104028483","","","0.71073","MoKα","","0.0554","0.0413","","","0.1032","0.1116","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014730","5.9635","0.0002","11.0881","0.0006","18.9959","0.001","90","","93.048","0.003","90","","1254.31","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4-Nitrobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","SK1791","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in (<i>E</i>)-2-nitrobenzaldehyde 4-nitrophenylhydrazone and a hydrogen-bonded framework structure in (<i>E</i>)-4-nitrobenzaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","1","o10","o14","10.1107/S0108270104028483","","","0.71073","MoKα","","0.1111","0.0525","","","0.1139","0.1368","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014731","8.6066","0.0005","9.1751","0.0005","11.9799","0.0007","90","","109.321","0.002","90","","892.73","0.09","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(1-hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.1017","0.0635","","","0.1799","0.207","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014732","4.1085","0.0003","8.4497","0.0005","17.1272","0.0011","90","","94.721","0.002","90","","592.56","0.07","291","2","291","2","","","","","","","","4","P 1 n 1","P -2yac","7","","1,3-dimethyl-5-(1-propylaminoethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C22 H34 N6 O6 -","2","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0596","0.0459","","","0.116","0.1261","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014733","18.4577","0.0004","18.4577","0.0004","19.7736","0.0004","90","","90","","120","","5834.1","0.2","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","5-[1-(2,2-dimethoxyethylamino)ethylidene]-1,3-dimethylpyrimidine- 2,4,6(1H,3H,5H)-trione","","- C12 H19 N3 O5 -","- C12 H19 N3 O5 -","- C216 H342 N54 O90 -","18","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0583","0.042","","","0.1076","0.115","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014734","7.0696","0.0005","9.0734","0.0007","11.9214","0.0008","70.995","0.002","82.084","0.002","84.729","0.002","715.23","0.09","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","5-[1-(benzylamino)ethylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C30 H34 N6 O6 -","2","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0891","0.0537","","","0.1462","0.1666","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014735","7.9669","0.0005","17.267","0.0011","13.6223","0.0009","90","","90","","90","","1873.9","0.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(1-hydrazinoethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C8 H12 N4 O3 -","- C8 H12 N4 O3 -","- C64 H96 N32 O24 -","8","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0889","0.0464","","","0.1157","0.1287","","","","","","0.944","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014736","14.402","0.0007","9.111","0.0014","9.704","0.0013","90","","108.484","0.008","90","","1207.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","S-Ethyl N-(4-chlorobenzoyl)dithiocarbamate","","- C10 H10 Cl N O S2 -","- C10 H10 Cl N O S2 -","- C40 H40 Cl4 N4 O4 S8 -","4","1","SK1793","Low, John N.; Cobo, Justo; Insuasty, Henry; Cortés, Edward; Insuaty, Braulio; Glidewell, Christopher","<i>S</i>-Ethyl <i>N</i>-(4-chlorobenzoyl)dithiocarbamate: sheets built from π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2005","61","1","o7","o9","10.1107/S0108270104029361","","","0.71073","MoKα","","0.1557","0.0546","","","0.1154","0.1389","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014737","9.1606","0.0005","7.2295","0.0004","11.5201","0.0006","90","","97.515","0.001","90","","756.38","0.07","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-bis(4-nitrobenzylidene)ethane-1,2-diamine","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C32 H28 N8 O8 -","2","0.5","SK1795","Bomfim, Joao A. S.; Wardell, James L.; Low, John N.; Skakle, Janet M. S.; Glidewell, Christopher","π-Stacked hydrogen-bonded sheets in <i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)ethane-1,2-diamine and π-stacked hydrogen-bonded chains in <i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)propane-1,3-diamine","Acta Crystallographica Section C","2005","61","1","o53","o56","10.1107/S0108270104030719","","","0.71073","MoKα","","0.0647","0.0498","","","0.1437","0.1581","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014738","12.9412","0.0006","7.3062","0.0003","16.9061","0.0008","90","","99.559","0.002","90","","1576.29","0.12","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(4-nitrobenzylidene)propane-1,3-diamine","","- C17 H16 N4 O4 -","- C17 H16 N4 O4 -","- C68 H64 N16 O16 -","4","0.5","SK1795","Bomfim, Joao A. S.; Wardell, James L.; Low, John N.; Skakle, Janet M. S.; Glidewell, Christopher","π-Stacked hydrogen-bonded sheets in <i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)ethane-1,2-diamine and π-stacked hydrogen-bonded chains in <i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)propane-1,3-diamine","Acta Crystallographica Section C","2005","61","1","o53","o56","10.1107/S0108270104030719","","","0.71073","MoKα","","0.0816","0.0523","","","0.1378","0.1575","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014739","11.0529","0.0004","15.4381","0.0006","9.2768","0.0004","90","","90.951","0.002","90","","1582.74","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3-Difluoro-5-nitro-1H-indol-2(3H)-one","","- C8 H4 F2 N2 O3 -","- C8 H4 F2 N2 O3 -","- C64 H32 F16 N16 O24 -","8","2","SK1799","Glidewell, Christopher; Low, John N.; Wardell, James L.","3,3-Difluoro-5-nitro-1<i>H</i>-indol-2(3<i>H</i>)-one: sheets of <i>R</i>~2~^2^(8) and <i>R</i>~4~^6^(34) rings built from three-centre N—H···(O)~2~ hydrogen bonds","Acta Crystallographica Section C","2005","61","1","o57","o59","10.1107/S0108270104031026","","","0.71073","MoKα","","0.0449","0.034","","","0.085","0.0902","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014740","7.802","0.0002","12.5233","0.0005","13.892","0.0006","83.5872","0.0018","89.022","0.002","72.611","0.002","1287.01","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Tris[4-(4-nitrophenyl)-3-aza-3-butenyl]amine","","- C27 H27 N7 O6 -","- C27 H27 N7 O6 -","- C54 H54 N14 O12 -","2","1","SK1801","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Tris[4-(4-nitrophenyl)-3-aza-3-butenyl]amine: π-stacked chains of hydrogen-bonded <i>R</i>_<b>2</b>^<b>2</b>(26) dimers","Acta Crystallographica Section C","2005","61","2","o75","o77","10.1107/S0108270104033141","","","0.71073","MoKα","","0.0997","0.0514","","","0.1074","0.1238","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014741","6.1494","0.0007","6.1984","0.0008","7.3642","0.0009","83.486","0.006","82.58","0.008","65.067","0.007","251.86","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,5-Piperazinedione‒oxalic acid‒water (1/1/2)","","- C6 H12 N2 O8 -","- C6 H12 N2 O8 -","- C6 H12 N2 O8 -","1","0.5","SK1802","Sarangarajan, Thanjavur Ramabhadran; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Piperazine-2,5-dione‒oxalic acid‒water (1/1/2) and a redetermination of piperazine-2,5-dione, both at 120K: hydrogen-bonded sheets containing multiple ring types","Acta Crystallographica Section C","2005","61","2","o118","o121","10.1107/S0108270104034055","","","0.71073","MoKα","","0.0464","0.0424","","","0.1324","0.1357","","","","","","1.196","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014742","3.8967","0.001","11.527","0.003","5.159","0.002","90","","96.46","0.02","90","","230.26","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Piperazinedione","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C8 H12 N4 O4 -","2","0.5","SK1802","Sarangarajan, Thanjavur Ramabhadran; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Piperazine-2,5-dione‒oxalic acid‒water (1/1/2) and a redetermination of piperazine-2,5-dione, both at 120K: hydrogen-bonded sheets containing multiple ring types","Acta Crystallographica Section C","2005","61","2","o118","o121","10.1107/S0108270104034055","","","0.71073","MoKα","","0.0677","0.067","","","0.2049","0.206","","","","","","1.245","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014743","5.6222","0.0003","8.0912","0.0004","10.5852","0.0005","90","","95.485","0.003","90","","479.32","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Diphenylmercury","","- C12 H10 Hg -","- C12 H10 Hg -","- C24 H20 Hg2 -","2","0.5","SK1803","Glidewell, Christopher; Low, John N.; Wardell, James L.","Diphenylmercury, redetermined at 120K: sheets built from a single C—H···π(arene) hydrogen bond","Acta Crystallographica Section C","2005","61","2","m107","m108","10.1107/S0108270104034134","","","0.71073","MoKα","","0.0259","0.0168","","","0.0406","0.0446","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014744","8.0671","0.0003","8.0739","0.0004","8.6212","0.0005","112.616","0.002","115.06","0.003","93.81","0.003","451.55","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Iodo-6-methoxy-4-nitroaniline","","- C7 H7 I N2 O3 -","- C7 H7 I N2 O3 -","- C14 H14 I2 N4 O6 -","2","1","SK1806","Garden, Simon J.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Iodo-6-methoxy-4-nitroaniline: tripartite ribbons built from N—H···O hydrogen bonds and iodo‒nitro interactions are π-stacked into sheets","Acta Crystallographica Section C","2005","61","3","o145","o147","10.1107/S0108270105000661","","","0.71073","MoKα","","0.032","0.0251","","","0.0507","0.053","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014745","10.33","0.0005","12.2408","0.0004","7.9804","0.0004","90","","96.215","0.002","90","","1003.17","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Nitrophenyl phenyl ether","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","1","SK1810","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","4-Nitrophenyl phenyl ether: sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2005","61","3","o185","o187","10.1107/S0108270105002076","","","0.71073","MoKα","","0.0708","0.0423","","","0.0995","0.1126","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014746","6.768","0.0009","19.989","0.003","9.4923","0.0012","90","","90.717","0.002","90","","1284.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[aquacopper(II)]-μ~3~-2,2'-bipyridyl-3,3'-dicarboxylato-κ^4^N,N':O:O' dihydrate]","","- C12 H12 Cu N2 O7 -","- C12 H6 Cu N2 O7 -","- C48 H24 Cu4 N8 O28 -","4","1","SQ1177","Zhao, Bao-Zhong; Hao, Xiang-Rong; Han, Zhan-Gang; Fu, Qiang; Chen, Ya-Guang","A novel copper(II) coordination polymer with 2,2'-bipyridyl-3,3'-dicarboxylic acid","Acta Crystallographica Section C","2005","61","1","m48","m50","10.1107/S0108270104028720","","","0.71073","MoKα","","0.0577","0.0394","","","0.0873","0.0941","","","","","","0.945","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014747","26.5955","0.0001","11.4267","0.0003","16.5915","0.0004","90","","92.053","0.001","90","","5038.9","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[μ-N,N'-Bis(2-aminoethyl)oxamidato(2-)]bis[(4,5-diazafluoren-9-one)perchloratocopper(II)] 4,5-diazafluoren-9-one disolvate","","- C50 H36 Cl2 Cu2 N12 O14 -","- C50 H36 Cl2 Cu2 N12 O14 -","- C200 H144 Cl8 Cu8 N48 O56 -","4","0.5","SQ1182","Li, Yan-Ping; Yang, Pin; Huang, Zi-Xiang; Xie, Fu-Xin","[μ-<i>N</i>,<i>N</i>'-Bis(2-aminoethyl)oxamidato(2‒)]bis[(4,5-diazafluoren-9-one)perchloratocopper(II)] 4,5-diazafluoren-9-one disolvate","Acta Crystallographica Section C","2005","61","1","m7","m9","10.1107/S0108270104028367","","","0.71073","MoKα","","0.1004","0.0689","","","0.1685","0.1984","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014748","73.814","0.015","7.008","0.0014","6.871","0.0014","90","","94.98","0.03","90","","3540.9","1.3","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N O -","- C21 H25 N O -","- C168 H200 N8 O8 -","8","1","SQ1183","Davey, Roger J.; Gillon, Amy L.; Quayle, Michael J.; Rashad, Omar","4'-Octyloxybiphenyl-4-carbonitrile polymorph III","Acta Crystallographica Section C","2005","61","3","o143","o144","10.1107/S0108270105000326","","","0.71073","MoKα","","","0.0585","","","","0.1592","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014749","18.2168","0.0004","7.5623","0.0002","22.1355","0.0005","90","","90","","90","","3049.41","0.13","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","fenofibric acid","2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid","","- C17 H15 Cl O4 -","- C17 H15 Cl O4 -","- C136 H120 Cl8 O32 -","8","1","SQ1185","Rath, Nigam P.; Haq, Wahajul; Balendiran, Ganesaratnam K.","Fenofibric acid","Acta Crystallographica Section C","2005","61","2","o81","o84","10.1107/S0108270104032573","","","0.71073","MoKα","","0.0485","0.0416","","","0.0957","0.0991","","","","","","1.114","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014750","9.955","0.004","6.9722","0.0012","14.673","0.004","90","","90","","90","","1018.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-hydroxy-3-methoxy-4-methyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin- 1(8aH)-one","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C40 H56 N8 O12 -","4","1","SQ1186","Cetina, Mario; Nagl, Ante; Prekupec, Svjetlana; Raić-Malić, Silvana; Mintas, Mladen","Hydrogen-bonding and C—H···π interactions in 7-hydroxy-3-methoxy-4-methyl-5,6,7,8-tetrahydropyrido[1,2-<i>c</i>]pyrimidin-1(9<i>H</i>)-one","Acta Crystallographica Section C","2005","61","3","o158","o160","10.1107/S010827010500079X","","","0.71073","MoKα","","0.0688","0.0399","","","0.0973","0.1077","","","","","","1.063","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014751","8.067","0.003","11.029","0.003","12.769","0.004","90","","112.12","0.02","90","","1052.5","0.6","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-hydroxy-5-hydroxymethyl-3,6-dioxatricyclo[6.3.1.0^1.5^]dodecan-2-one","","- C11 H16 O5 -","- C11 H16 O5 -","- C44 H64 O20 -","4","1","SQ1188","Rodríguez, M.L.; Febles, M.; Pérez, C.; Pérez-Hernández , N.; Martín , J.D.; Foces-Foces, C.","Hydrogen-bonding patterns of two dihydroxylactone derivatives","Acta Crystallographica Section C","2005","61","3","o138","o142","10.1107/S0108270105000557","","","0.71073","MoKα","","0.057","0.045","","","0.112","0.121","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014752","7.8896","0.0006","12.7281","0.001","21.8425","0.0018","90","","90","","90","","2193.4","0.3","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,7-bis(hydroxymethyl)-3,6-dioxatricyclo[5.3.1.0^1.5^]undecan-2-one","","- C11 H16 O5 -","- C11 H16 O5 -","- C88 H128 O40 -","8","1","SQ1188","Rodríguez, M.L.; Febles, M.; Pérez, C.; Pérez-Hernández , N.; Martín , J.D.; Foces-Foces, C.","Hydrogen-bonding patterns of two dihydroxylactone derivatives","Acta Crystallographica Section C","2005","61","3","o138","o142","10.1107/S0108270105000557","","","0.71073","MoKα","","0.092","0.053","","","0.117","0.132","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014753","9.204","0.001","10.502","0.001","13.009","0.001","90","","93.061","0.004","90","","1255.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropylammonium (2R,3R)(+)-hydrogen tartrate","","- C26 H37 N O7 -","- C26 H37 N O7 -","- C52 H74 N2 O14 -","2","1","SQ1190","Košutić-Hulita, Nada; Miroslav Žegarac","Tolterodinium (+)-(2<i>R</i>,3<i>R</i>)-hydrogen tartrate","Acta Crystallographica Section C","2005","61","3","o171","o173","10.1107/S0108270105001599","","","1.54178","CuKα","","0.0687","0.0564","","","0.1411","0.1477","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014754","3.6509","0.0019","9.368","0.005","12.554","0.006","90","","90","","90","","429.4","0.4","293","2","293","1","","","","","","","","3","C m 2 m","C -2 -2","38","","hexaaluminium dititanium tridecaoxide","","- Al6 O13 Ti2 -","- Al5.998 O13 Ti2.002 -","- Al11.996 O26 Ti4.004 -","2","0.25","SQ1191","Stefan T. Norberg; Stefan Hoffmann; Masahiro Yoshimura; Nobuo Ishizawa","Al~6~Ti~2~O~13~, a new phase in the Al~2~O~3~‒TiO~2~ system","Acta Crystallographica Section C","2005","61","3","i35","i38","10.1107/S0108270105002532","","","0.71073","MoKα","","0.082","0.074","","0.131","0.123","0.123","","","1.394","","","1.378","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014755","9.703","0.002","15.288","0.003","8.386","0.002","90","","99.97","0.01","90","","1225.2","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cu N14 O6 -","- C16 H28 Cu N14 O6 -","- C32 H56 Cu2 N28 O12 -","2","0.5","SQ1194","Zaleski, Jacek; Mieczysław Gabryszewski; Zarychta, Bartosz","Tetrakis(1-ethyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)bis(nitrato-κ<i>O</i>)copper(II) and bis(nitrato-κ<i>O</i>)tetrakis(1-propyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)","Acta Crystallographica Section C","2005","61","3","m151","m154","10.1107/S0108270105003446","","","0.71073","MoKα","","0.0927","0.0448","","","0.0759","0.0893","","","","","","0.83","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014756","8.027","0.006","8.523","0.005","11.672","0.005","89.67","0.04","73.5","0.05","70.19","0.06","716.7","0.8","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 Cu N14 O6 -","- C20 H36 Cu N14 O6 -","- C20 H36 Cu N14 O6 -","1","0.5","SQ1194","Zaleski, Jacek; Mieczysław Gabryszewski; Zarychta, Bartosz","Tetrakis(1-ethyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)bis(nitrato-κ<i>O</i>)copper(II) and bis(nitrato-κ<i>O</i>)tetrakis(1-propyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)","Acta Crystallographica Section C","2005","61","3","m151","m154","10.1107/S0108270105003446","","","0.71073","MoKα","","0.0317","0.0261","","","0.0593","0.0609","","","","","","0.975","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014757","9.308","0.003","9.578","0.003","16.13","0.004","77.21","0.03","87.36","0.03","81.57","0.03","1387.1","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","brucinium L-glycerate 4.75 hydrate","brucinium L-glycerate 4.75 hydrate","","- C26 H41.5 N2 O12.75 -","- C26 H41.5 N2 O12.75 -","- C52 H83 N4 O25.5 -","2","2","SX1156","Białońska, Agata; Ciunik, Zbigniew; Popek, Tomasz; Lis, Tadeusz","Cyclic water pentamers in triclinic crystals of brucinium <small>L</small>-glycerate","Acta Crystallographica Section C","2005","61","2","o88","o91","10.1107/S0108270104031853","","","0.71073","MoKα","","0.0432","0.0369","","","0.0781","0.081","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014758","6.808","0.001","9.995","0.002","11.421","0.002","106.38","0.02","104.8","0.02","102.23","0.02","686.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetramethylammonium 2,5-dinitrophenolate monohydrate","","- C10 H17 N3 O6 -","- C10 H17 N3 O6 -","- C20 H34 N6 O12 -","2","1","SX1165","Genivaldo Julio Perpétuo; Jan Janczak","Tetramethylammonium 2,5-dinitrophenolate monohydrate","Acta Crystallographica Section C","2005","61","3","o165","o167","10.1107/S0108270105001253","","","0.71073","MoKα","","0.1","0.0358","","","0.0561","0.0639","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014759","15.6553","0.0016","5.9436","0.0007","5.9177","0.0007","90","","93.905","0.009","90","","549.36","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium bis(hypophosphite)","strontium bis(dihydrogenphosphate)","","- H4 O4 P2 Sr -","- H4 O4 P2 Sr -","- H16 O16 P8 Sr4 -","4","0.5","TA1468","Kuratieva, Natalia V.; Naumova, Marina I.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The bivalent metal hypophosphites Sr(H~2~PO~2~)~2~, Pb(H~2~PO~2~)~2~ and Ba(H~2~PO~2~)~2~","Acta Crystallographica Section C","2005","61","2","i14","i16","10.1107/S010827010403166X","","","0.71073","MoKα","","0.0577","0.0296","","","0.0667","0.0723","","","","","","0.791","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014760","15.516","0.003","6.0081","0.0012","5.9686","0.0012","90","","93.3","0.03","90","","555.48","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Lead bis(hypohposphite)","Lead bis(dihydrogenphosphate)","","- H4 O4 P2 Pb -","- H4 O4 P2 Pb -","- H16 O16 P8 Pb4 -","4","0.5","TA1468","Kuratieva, Natalia V.; Naumova, Marina I.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The bivalent metal hypophosphites Sr(H~2~PO~2~)~2~, Pb(H~2~PO~2~)~2~ and Ba(H~2~PO~2~)~2~","Acta Crystallographica Section C","2005","61","2","i14","i16","10.1107/S010827010403166X","","","0.71073","MoKα","","0.0797","0.0333","","","0.0527","0.0576","","","","","","0.994","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014761","6.239","0.0008","15.584","0.003","6.1726","0.0013","90","","90","","90","","600.15","0.19","296","2","296","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Barium bis(hypophosphite)","Barium bis(dihydrogenphosphate) ?","","- Ba H4 O4 P2 -","- Ba H4 O4 P2 -","- Ba4 H16 O16 P8 -","4","0.25","TA1468","Kuratieva, Natalia V.; Naumova, Marina I.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The bivalent metal hypophosphites Sr(H~2~PO~2~)~2~, Pb(H~2~PO~2~)~2~ and Ba(H~2~PO~2~)~2~","Acta Crystallographica Section C","2005","61","2","i14","i16","10.1107/S010827010403166X","","","0.71069","MoKα","","0.0532","0.0316","","","0.0748","0.0827","","","","","","0.887","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014762","8.778","0.003","11.52","0.005","14.717","0.006","90","","118.05","0.03","90","","1313.4","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","345OMT","(E,E)-2,5-Dimethoxy-1,4-bis[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene","","- C30 H34 O8 -","- C30 H34 O8 -","- C60 H68 O16 -","2","0.5","TA1476","Vande Velde, Christophe M. L.; Geise, Herman J.; Blockhuys, Frank","(<i>E</i>,<i>E</i>)-2,5-Dimethoxy-1,4-bis[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene","Acta Crystallographica Section C","2005","61","1","o21","o24","10.1107/S0108270104028744","","","0.71073","Mokα","","0.1417","0.0534","","","0.1131","0.1366","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014763","20.56","0.004","8.5138","0.0017","10.387","0.002","90","","97.46","0.03","90","","1802.8","0.6","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis[(pyridine-4-carboxylato)zinc(II)]-di-μ~3~-phosphato]","","- C12 H12 N2 O12 P2 Zn2 -","- C12 H12 N2 O12 P2 Zn2 -","- C48 H48 N8 O48 P8 Zn8 -","4","1","TA1477","Guang-Sheng Guo; Yong-Ge Wei; Jing Li; Ying Wang; Hong-You Guo","A new layered zinc phosphate templated by protonated isonicotinate, [Zn~2~(C~6~H~5~NO~2~)~2~(HPO~4~)~2~]","Acta Crystallographica Section C","2005","61","2","m87","m89","10.1107/S0108270104031671","","","0.71073","MoKα","","0.0528","0.0395","","","0.0913","0.0969","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014764","6.9077","0.0014","9.2332","0.0018","21.809","0.004","90","","91.31","0.004","90","","1390.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrapotassium dicarbonatodioxoperoxouranium(VI) 2.5-hydrate","","- C2 H5 K4 O12.5 U -","- C2 H5 K4 O12.5 U -","- C8 H20 K16 O50 U4 -","4","1","TA1480","Zehnder, Ralph A.; Peper, Shane M.; Scott, Brian L.; Runde, Wolfgang H.","Tetrapotassium dicarbonatodioxoperoxouranium(VI) 2.5-hydrate, K~4~[U(CO~3~)~2~O~2~(O~2~)]·2.5H~2~O","Acta Crystallographica Section C","2005","61","1","i3","i5","10.1107/S0108270104027994","","","0.71073","MoKα","","0.0492","0.0393","","","0.0933","0.0954","","","","","","1.561","","","","has coordinates,has Fobs","189249","2020-10-21","18:00:00",""
"2014765","7.5466","0.0015","9.042","0.002","22.412","0.008","90","","90","","90","","1529.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1H- pyrazole-4-carboxylate","","- C13 H18 N6 O2 -","- C13 H18 N6 O2 -","- C52 H72 N24 O8 -","4","1","AV1221","Chao Wu; You-Quan Zhu; Hua-Bin Li; Jian-Rong Li; Xue-Ling Ren; Bin Li; Hua-Zheng Yang","Ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1<i>H</i>-pyrazole-4-carboxylate and ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section C","2005","61","5","o281","o283","10.1107/S0108270105007821","","","0.71073","MoKα","","0.0457","0.0378","","","0.0959","0.1013","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014766","10.536","0.002","13.715","0.003","14.443","0.003","90","","93.57","0.008","90","","2083","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1H- pyrazole-4-carboxylate","","- C18 H19 N7 O6 S -","- C18 H19 N7 O6 S -","- C72 H76 N28 O24 S4 -","4","1","AV1221","Chao Wu; You-Quan Zhu; Hua-Bin Li; Jian-Rong Li; Xue-Ling Ren; Bin Li; Hua-Zheng Yang","Ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1<i>H</i>-pyrazole-4-carboxylate and ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section C","2005","61","5","o281","o283","10.1107/S0108270105007821","","","0.71073","MoKα","","0.0883","0.0499","","","0.1147","0.1336","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014767","8.825","0.004","14.401","0.006","17.033","0.007","90","","90","","90","","2164.7","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-4-(4,6-dimethylpyrimidin-2-ylsulfanyl)-5-[(2S,5R)-2-isopropyl- 5-methylcyclohexyloxy]-2,3,4,5-tetrahydrofuran-2-one","","- C20 H30 N2 O3 S -","- C20 H30 N2 O3 S -","- C80 H120 N8 O12 S4 -","4","1","AV1224","Lan He; Yu-Mei Liu; Wei Zhang; Qing-Hua Chen","Two new chiral nucleoside analogues: (4<i>R</i>,5<i>R</i>)-4-(4,6-dimethylpyrimidin-2-ylsulfanyl)-5-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-2,3,4,5-tetrahydrofuran-2-one and (4<i>R</i>,5<i>R</i>)-5-[(2<i>S</i>,5<i>R</i>)-isopropyl-5-methylcyclohexyloxy]-4-(4-methyl-1,3-thiazol-2-ylamino)-2,3,4,5-tetrahydrofuran-2-one","Acta Crystallographica Section C","2005","61","6","o390","o392","10.1107/S0108270105007833","","","0.71073","MoKα","","0.0509","0.0372","","","0.0887","0.0967","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014768","8.841","0.003","11.203","0.003","19.692","0.006","90","","90","","90","","1950.4","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-5-[(2S,5R)-2-isopropyl-5-methylcyclohexyloxy)-4-(4-methyl-1,3- thiazol-2-ylamino)-2,3,4,5-tetrahydrofuran-2-one","","- C18 H28 N2 O3 S -","- C18 H28 N2 O3 S -","- C72 H112 N8 O12 S4 -","4","1","AV1224","Lan He; Yu-Mei Liu; Wei Zhang; Qing-Hua Chen","Two new chiral nucleoside analogues: (4<i>R</i>,5<i>R</i>)-4-(4,6-dimethylpyrimidin-2-ylsulfanyl)-5-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-2,3,4,5-tetrahydrofuran-2-one and (4<i>R</i>,5<i>R</i>)-5-[(2<i>S</i>,5<i>R</i>)-isopropyl-5-methylcyclohexyloxy]-4-(4-methyl-1,3-thiazol-2-ylamino)-2,3,4,5-tetrahydrofuran-2-one","Acta Crystallographica Section C","2005","61","6","o390","o392","10.1107/S0108270105007833","","","0.71073","MoKα","","0.0641","0.0418","","","0.0897","0.0985","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014769","10.4682","0.0012","10.9027","0.0012","18.4929","0.0012","90","","101.39","0.007","90","","2069.1","0.4","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-Bis[(4-methoxybenzoyl)methylsulfanyl]thiophene","","- C22 H20 O4 S3 -","- C22 H20 O4 S3 -","- C88 H80 O16 S12 -","4","1","AV1231","Özbey, Süheyla; Kaynak, F. Betül; Ertas, Erdal; Ozturk, Turan","3,4-Bis[(4-methoxybenzoyl)methylsulfanyl]thiophene","Acta Crystallographica Section C","2005","61","6","o393","o395","10.1107/S0108270105005251","","","0.71073","MoKα","","","0.0356","","","","0.0998","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014770","5.2176","0.0006","8.0061","0.0009","8.7683","0.001","78.662","0.002","84.15","0.002","88.891","0.002","357.26","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Bis(thiocarbohydrazide)thiocyanatoiron(II)","","- C4 H12 Fe N10 S4 -","- C4 H12 Fe N10 S4 -","- C4 H12 Fe N10 S4 -","1","0.5","AV1233","Guang-Qi Xiang; Wei-Dong Wang; Mao-Lin Hu; Zhi-Min Jin; Ya-Ping Lü","Bis(thiocarbohydrazide)dithiocyanatoiron(II)","Acta Crystallographica Section C","2005","61","6","m311","m312","10.1107/S0108270105009881","","","0.71073","MoKα","","0.0305","0.0297","","","0.0791","0.0801","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014771","10.4876","0.0006","11.2572","0.0007","12.4998","0.0008","99.603","0.001","110.874","0.002","112.7","0.002","1190.15","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","8,15,28,35- tetraazaheptacyclo[35.3.1.1^2,6^.1^17,21^.1^22,26^.0^9,14^.O^29,34^]tetraconta- 37,38,39,40-tetrol dimethyl sulfoxide tetrasolvate","","- C48 H52 N4 O8 S4 -","- C48 H52 N4 O8 S4 -","- C48 H52 N4 O8 S4 -","1","0.5","AV1234","Plitt, Patrick; Rominger, Frank; Krämer, Roland","<i>N</i>,<i>N</i>:<i>N</i>',<i>N</i>'-Bis(2,2'-dihydroxybiphenyl-3,3'-dimethylidene)benzene-1,2-diamine dimethyl sulfoxide tetrasolvate","Acta Crystallographica Section C","2005","61","6","o396","o397","10.1107/S010827010501022X","","","0.71073","MoKα","","0.1137","0.0491","","","0.0933","0.1116","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014772","16.1203","0.0015","7.7373","0.0007","15.2135","0.0018","90","","90","","90","","1897.5","0.3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Poly[(μ-thiocyanato-1:2κ^2^S:N)bis(thiocyanato-2κN)bis(N-methylformamide- 2κO)manganese(II)mercury(II)]","","- C8 H10 Hg Mn N6 O2 S4 -","- C8 H10 Hg Mn N6 O2 S4 -","- C32 H40 Hg4 Mn4 N24 O8 S16 -","4","1","AV1235","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Zhang, Guang-Hui; Geng, Yan-Ling","Poly[bis(<i>N</i>-methylformamide)tetra-μ-thiocyanato-manganese(II)mercury(II)]","Acta Crystallographica Section C","2005","61","6","m278","m280","10.1107/S0108270105010814","","","0.71069","MoKα","","0.0701","0.0395","","","0.0679","0.0767","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014773","22.7811","0.0007","9.2121","0.0002","22.8913","0.0006","90","","97.829","0.002","90","","4759.2","0.2","130.15","0.02","130.15","0.02","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Poly[diaquahexakis(dimethyl sulfoxide-κO)cerium [(μ~2~-hexacosaoxooctamolybdate)sodium]]","","- C12 H40 Ce Mo8 Na O34 S6 -","- C12 H40 Ce Mo8 Na O34 S6 -","- C48 H160 Ce4 Mo32 Na4 O136 S24 -","4","0.5","AV1236","Li-Juan Chen; Can-Zhong Lu; Quan-Zheng Zhang; Shu-Mei Chen","Poly[diaquahexakis(dimethyl sulfoxide-κ<i>O</i>)cerium [(μ~2~-hexacosaoxooctamolybdate)sodium]]","Acta Crystallographica Section C","2005","61","6","m269","m271","10.1107/S0108270105010206","","","0.71073","MoKα","","0.0217","0.0208","","","0.0548","0.0554","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014774","6.2082","0.0001","7.2183","0.0001","11.2335","0.0003","90","","100.477","0.002","90","","495.01","0.017","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","MIL-12 (Ga)","Digallium phosphate pentafluoride propane-1,3-diaminium","","- C3 H12 F5 Ga2 N2 O4 P -","- C3 H12 F5 Ga2 N2 O4 P -","- C6 H24 F10 Ga4 N4 O8 P2 -","2","0.5","AV1243","Loiseau, Thierry; Ferey, Gerard","A layered fluorinated gallium phosphate organically templated by propane-1,3-diaminium, an analog of the aluminophosphate MIL-12: Ga~2~(PO~4~)F~5~·C~3~H~12~N~2~","Acta Crystallographica Section C","2005","61","6","m315","m317","10.1107/S0108270105014290","","","0.71073","MoKα","","0.0378","0.0279","","","0.0674","0.0722","","","","","","0.902","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014775","16.898","0.0014","7.6853","0.0007","13.2955","0.0012","90","","103.967","0.007","90","","1675.6","0.3","122","1","122","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(2-methylquinolin-8-olato)nitridochromium(V)","","- C20 H16 Cr N3 O2 -","- C20 H16 Cr N3 O2 -","- C80 H64 Cr4 N12 O8 -","4","0.5","BG1000","Torben Birk; Henning Osholm Sørensen; Jesper Bendix","Two square-pyramidal chromium(V)‒nitride complexes: bis(2-methylquinolin-8-olato)nitridochromium(V) and nitridobis(2-sulfidopyridine <i>N</i>-oxide)chromium(V)","Acta Crystallographica Section C","2005","61","5","m231","m233","10.1107/S0108270105008693","","","0.71073","MoKα","","0.038","0.0284","","","0.0773","0.0846","","","","","","1.144","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014776","11.0511","0.0012","14.1558","0.0012","15.2486","0.0011","90","","90","","90","","2385.4","0.4","122","1","122","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","nitridobis(2-sulfidopyridine N-oxide)chromium(V)","","- C10 H8 Cr N3 O2 S2 -","- C10 H8 Cr N3 O2 S2 -","- C80 H64 Cr8 N24 O16 S16 -","8","1","BG1000","Torben Birk; Henning Osholm Sørensen; Jesper Bendix","Two square-pyramidal chromium(V)‒nitride complexes: bis(2-methylquinolin-8-olato)nitridochromium(V) and nitridobis(2-sulfidopyridine <i>N</i>-oxide)chromium(V)","Acta Crystallographica Section C","2005","61","5","m231","m233","10.1107/S0108270105008693","","","0.71073","MoKα","","0.0348","0.0253","","","0.0648","0.0736","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014777","7.2505","0.0007","16.3379","0.001","26.4894","0.0017","90","","90","","90","","3137.9","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-Dimethyl-1,4-benzoquinone monooxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C128 H144 N16 O32 -","16","2","BM1603","Odabaşoğlu, Mustafa; Albayrak, Çiğdem; Büyükgüngör, Orhan","2,6-Dimethyl-1,4-benzoquinone 4-monooxime","Acta Crystallographica Section C","2005","61","4","o240","o242","10.1107/S0108270105005500","","","0.71073","MoKα","","0.0895","0.0481","","","0.1266","0.1425","","","","","","0.872","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014778","8.659","0.0002","14.392","0.0017","15.7057","0.0012","90","","102.519","0.014","90","","1910.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium chloride","","- C22 H24 Cl N O2 -","- C22 H24 Cl N O2 -","- C88 H96 Cl4 N4 O8 -","4","1","BM1604","Tamuly, Chandan; Sarma, Rupam S.; Batsanov, Andrei S.; Goeta, Andrés E.; Baruah, Jubaraj B.","4-[Bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium chloride and bromide","Acta Crystallographica Section C","2005","61","5","o324","o327","10.1107/S0108270105008206","","","0.71073","MoKα","","0.0642","0.0484","","","0.1296","0.1419","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014779","8.7217","0.0004","14.7461","0.0006","15.4836","0.0006","90","","101.59","0.01","90","","1950.76","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium bromide","","- C22 H24 Br N O2 -","- C22 H24 Br N O2 -","- C88 H96 Br4 N4 O8 -","4","1","BM1604","Tamuly, Chandan; Sarma, Rupam S.; Batsanov, Andrei S.; Goeta, Andrés E.; Baruah, Jubaraj B.","4-[Bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium chloride and bromide","Acta Crystallographica Section C","2005","61","5","o324","o327","10.1107/S0108270105008206","","","0.71073","MoKα","","0.0317","0.0267","","","0.0676","0.07","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014780","13.6486","0.0002","9.3529","0.0001","17.8913","0.0003","90","","109.214","0.001","90","","2156.67","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-tert-Butyl-6-phenylsulfanyl-2-[bis(pyrazol-1-yl)methyl]phenol","","- C23 H24 N4 O S -","- C23 H24 N4 O S -","- C92 H96 N16 O4 S4 -","4","1","BM1606","Isabelle Sylvestre; Colin A. Kilner; Malcolm A. Halcrow","2-[Bis(pyrazol-1-yl)methyl]-4-<i>tert</i>-butyl-6-(phenylsulfanyl)phenol","Acta Crystallographica Section C","2005","61","5","o294","o296","10.1107/S0108270105007675","","","0.71073","MoKα","","0.055","0.0442","","","0.1176","0.1288","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014781","7.405","0.002","8.89","0.004","11.883","0.003","101.39","0.03","98.05","0.02","92.7","0.03","757","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-Poly[[[(N,N,N',N'-tetramethylethylenediamine)copper(II)]-μ-oxalato] tetrahydrate]","catena-Poly[[[(N,N,N',N'-tetramethylethylenediamine)copper(II)]-μ-oxalato] tetrahydrate]","","- C8 H24 Cu N2 O8 -","- C8 H24 Cu N2 O8 -","- C16 H48 Cu2 N4 O16 -","2","1","DN1074","Jedidi Ferjani; Graia Mohsen; Tahar Jouini","<i>catena</i>-Poly[[[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)copper(II)]-μ-oxalato] tetrahydrate]","Acta Crystallographica Section C","2005","61","5","m237","m239","10.1107/S010827010500435X","","","0.71073","MoKα","","0.0388","0.032","","","0.0869","0.0907","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014782","10.2367","0.0009","8.4158","0.0006","7.5111","0.0007","90","","103.208","0.007","90","","629.96","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxyethylhydrazinium dichloride","","- C2 H10 Cl2 N2 O -","- C2 H10 Cl2 N2 O -","- C8 H40 Cl8 N8 O4 -","4","1","DN1076","Günseli Turgut; Metin Zora; Odabaşoǧlu, Mustafa; Ersanlı, Cem Cüneyt; Büyükgüngör, Orhan","(2-Hydroxyethyl)hydrazinium(2+) dichloride","Acta Crystallographica Section C","2005","61","5","o321","o323","10.1107/S0108270105007183","","","0.71073","MoKα","","0.025","0.019","","","0.05","0.05","","","","","","1.17","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014783","5.435","0.001","7.599","0.002","8.938","0.002","90","","90","","90","","369.14","0.14","298","2","298","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","Li (Mo O2)2 (As O4) O","Lithium dioxomolybdenum arsenate oxide","","- As Li Mo2 O9 -","- As Li Mo2 O9 -","- As2 Li2 Mo4 O18 -","2","0.25","DN1082","Hajji, Mounir; Zid, Mohamed Faouzi; Jouini, Tahar","Li(MoO~2~)~2~O(AsO~4~)","Acta Crystallographica Section C","2005","61","5","i57","i58","10.1107/S0108270105009856","","","0.71073","MoKα","","0.023","0.0207","","","0.0557","0.059","","","","","","1.146","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014784","24.253","0.002","13.953","0.0012","20.2762","0.0019","90","","125.102","0.002","90","","5613.6","0.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3,4,5-tetramethylimidazol-2-ylidene‒tris(pentafluorophenyl)borane","","- C25 H12 B F15 N2 -","- C25 H12 B F15 N2 -","- C200 H96 B8 F120 N16 -","8","1","DN1084","Phillips, Andrew D.; Power, Philip P.","A main-group donor‒acceptor adduct: 1,3,4,5-tetramethylimidazol-2-ylidene‒tris(pentafluorophenyl)borane","Acta Crystallographica Section C","2005","61","5","o291","o293","10.1107/S0108270105006293","","","0.71073","MoKα","","0.0521","0.0372","","","0.098","0.1033","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014785","7.1352","0.0011","8.505","0.002","9.056","0.002","112.52","0.03","108.53","0.03","97.31","0.03","461.5","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","4,4'-Bipyrazolium bromide monohydrate","4-(1H-pyrazol-4-yl)pyrazolium bromide monohydrate","","- C6 H9 Br N4 O -","- C6 H9 Br N4 O -","- C12 H18 Br2 N8 O2 -","2","1","DN1085","Domasevitch, Konstantin V.; Boldog, Ishtvan","Polar hydrogen-bonded organic chains in 4,4'-bipyrazolium bromide and perchlorate monohydrates","Acta Crystallographica Section C","2005","61","6","o373","o376","10.1107/S0108270105010887","","","0.71073","MoKα","","0.0563","0.0262","","","0.0663","0.0719","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014786","7.7691","0.0007","7.9578","0.0011","9.826","0.002","69.941","0.018","70.38","0.01","65.393","0.008","505.4","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","4,4'-Bipyrazolium perchlorate monohydrate","4-(1H-pyrazol-4-yl)pyrazolium perchlorate monohydrate","","- C6 H9 Cl N4 O5 -","- C6 H9 Cl N4 O5 -","- C12 H18 Cl2 N8 O10 -","2","1","DN1085","Domasevitch, Konstantin V.; Boldog, Ishtvan","Polar hydrogen-bonded organic chains in 4,4'-bipyrazolium bromide and perchlorate monohydrates","Acta Crystallographica Section C","2005","61","6","o373","o376","10.1107/S0108270105010887","","","0.71073","MoKα","","0.0589","0.0372","","","0.102","0.1128","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014787","6.6274","0.0019","3.9625","0.0011","15.26","0.004","90","","100.615","0.005","90","","393.89","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,10-dihyhydroxy-5H,10H-diimidazo[1,2-a:1',2'-d]pyrazine","5,10-dihyhydroxy-5H,10H-diimidazo[1,2-a:1',2'-d]pyrazine","","- C8 H8 N4 O2 -","- C8 H8 N4 O2 -","- C16 H16 N8 O4 -","2","0.5","DN1086","Cheruzel, Lionel E.; Mashuta, Mark S.; Buchanan, Robert M.","5,10-dihydroxy-5<i>H</i>,10<i>H</i>-diimidazo[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazine","Acta Crystallographica Section C","2005","61","6","o361","o362","10.1107/S0108270105010280","","","0.71073","MoKα","","0.0476","0.0355","","","0.068","0.0707","","","","","","1.081","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014788","10.6129","0.0009","8.975","0.0005","12.6808","0.001","90","","113.227","0.006","90","","1109.96","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(acesulfamato-κ^2^N^3^,O^4^)bis(2-aminopyrimidine-κN^1^)copper(II)","bis[6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide(1-)-κ^2^N^3^,O^4^]bis(2-aminopyrimidine-κN^1^)copper(II)","","- C16 H18 Cu N8 O8 S2 -","- C16 H18 Cu N8 O8 S2 -","- C32 H36 Cu2 N16 O16 S4 -","2","0.5","FA1117","Bulut, Ahmet; İçbudak, Hasan; Sezer, Gözde; Kazak, Canan","Bis(acesulfamato-κ^2^<i>N</i>^3^,<i>O</i>^4^)bis(2-aminopyrimidine-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2005","61","5","m228","m230","10.1107/S0108270105008188","","","0.71073","MoKα","","0.0486","0.0456","","","0.1141","0.1156","","","","","","1.217","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014789","22.0496","0.0019","22.0496","0.0019","8.8155","0.0015","90","","90","","90","","4286","0.9","98","2","98","2","","","","","","","","5","I -4","I -4","82","","Poly[disodium(I)-di-μ~2~-methanolato-di-μ~2~-tetramethoxyborato]","","- C10 H32 B2 Na2 O10 -","- C10 H32 B2 Na2 O10 -","- C80 H256 B16 Na16 O80 -","8","1","FA1119","Gainsford, Graeme J.; Kemmitt, Tim","Poly[di-μ~2~-methanolato-di-μ~2~-tetramethoxyborato-disodium(I)]","Acta Crystallographica Section C","2005","61","4","m206","m208","10.1107/S0108270105005524","","","0.71073","MoKα","","0.0345","0.0266","","","0.0629","0.0659","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014790","5.9784","0.0009","5.9784","0.0009","5.9784","0.0009","90","","90","","90","","213.68","0.06","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","Lithium Aluminum Germanium alloy","Lithium Aluminum Germanium","","- Al Ge Li -","- Al Ge Li -","- Al4 Ge4 Li4 -","4","0.0416667","FA1121","Tillard, Monique; Belin, Claude; Spina, Laurent; Jia, Yong Zhong","Two cubic polymorphs of AlGeLi","Acta Crystallographica Section C","2005","61","5","i51","i53","10.1107/S0108270105007171","","","0.7107","MoKα","","0.0113","0.0113","","","0.0282","0.0282","","","","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014791","6.137","0.0008","6.137","0.0008","6.137","0.0008","90","","90","","90","","231.14","0.05","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","Lithium Aluminum Germanium alloy","","","- Al Ge Li -","- Al Ge Li -","- Al4 Ge4 Li4 -","4","0.0208333","FA1121","Tillard, Monique; Belin, Claude; Spina, Laurent; Jia, Yong Zhong","Two cubic polymorphs of AlGeLi","Acta Crystallographica Section C","2005","61","5","i51","i53","10.1107/S0108270105007171","","","0.71073","MoKα","","0.0376","0.0376","","","0.0896","0.0896","","","","","","1.272","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014792","9.0806","0.0017","12.1903","0.0017","6.3424","0.0012","90","","106.379","0.016","90","","673.6","0.2","20","2","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","ammonium copper Tutton salt","perdeuterated diammonium hexaaquacopper(II) bis(sulfate)","","- Cu0.966 D17.16 H2.84 N2 O14 S2 Zn0.034 -","- Cu0.966 D17.16 H2.84 N2 O14 S2 Zn0.034 -","- Cu1.932 D34.32 H5.68 N4 O28 S4 Zn0.068 -","2","0.5","FA1122","Schultz, Arthur J.; Cowan, John A.; Hitchman, Michael A.; Stratemeier, Horst","Single-crystal neutron-diffraction study of 3.4% Zn-doped (ND~4~)~2~[Cu(D~2~O)~6~](SO~4~)~2~ at 20 K","Acta Crystallographica Section C","2005","61","5","m234","m236","10.1107/S0108270105009121","","","","white-beam","","","0.0542","","","","0.0889","","","","","","1.171","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014793","8.9188","0.001","5.9619","0.0011","15.4047","0.0012","90","","96.974","0.008","90","","813.05","0.19","290","","290","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cerium triiodate","","- Ce I3 O9 -","- Ce I3 O9 -","- Ce4 I12 O36 -","4","1","FA1123","Chen, Xue-An; Zhang, Li; Chang, Xi-Nan; Zang, He-Gui; Xiao, Wei-Qiang","Cerium triiodate, Ce(IO~3~)~3~","Acta Crystallographica Section C","2005","61","6","i61","i62","10.1107/S0108270105010759","","","0.71073","MoKα","","0.0359","0.0324","","","0.0856","0.087","","","","","","1.169","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014794","15.9664","0.001","13.753","0.0012","13.5082","0.0011","90","","112.343","0.006","90","","2743.5","0.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(I) hydrogensquarate hemihydrate","","- C32 H26 Cu N4 O4.5 -","- C32 H26 Cu N4 O4.5 -","- C128 H104 Cu4 N16 O18 -","4","1","FA1124","Uçar, İbrahim; Bulut, Ahmet; Büyükgüngör, Orhan","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) hydrogen squarate hemihydrate","Acta Crystallographica Section C","2005","61","6","m266","m268","10.1107/S010827010501053X","","","0.71073","MoKα","","0.1155","0.0408","","","0.0627","0.0753","","","","","","0.805","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2014795","9.638","0.0008","5.6665","0.0003","13.8866","0.0011","90","","107.642","0.004","90","","722.73","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba O8 Te V2 -","- Ba O8 Te V2 -","- Ba4 O32 Te4 V8 -","4","1","FA1130","Hou, Ju-Ying; Huang, Chang-Cang; Zhang, Han-Hui; Yang, Qi-Yu; Chen, Yi-Ping; Xu, Jian-Fu","Barium divanadium(V) tellurite(IV)","Acta Crystallographica Section C","2005","61","6","i59","i60","10.1107/S010827010501111X","","","0.71073","MoKα","","0.0196","0.0169","","","0.0548","0.0556","","","","","","1.234","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014796","7.5983","0.0009","7.8834","0.001","8.2843","0.001","96.126","0.01","108.37","0.01","101.011","0.01","454.8","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","bis[μ-2-(2-aminoethyl)pyridine-κ^2^N:N']disilver(I) dinitrate","","- C14 H20 Ag2 N6 O6 -","- C14 H20 Ag2 N6 O6 -","- C14 H20 Ag2 N6 O6 -","1","0.5","FA1131","Khan, M. A. H.; Prasad, T. K.; Rajasekharan, M. V.","Silver(I) complexes of 2-(2-aminoethyl)pyridine: nitrate and perchlorate salts of bis[μ-2-(2-aminoethyl)pyridine-κ^2^<i>N</i>:<i>N</i>']disilver(I)","Acta Crystallographica Section C","2005","61","6","m281","m283","10.1107/S0108270105012448","","","0.71073","MoKα","","0.0207","0.0185","","","0.0455","0.0466","","","","","","1.071","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014797","7.9933","0.0005","8.099","0.0005","8.4726","0.0005","98.294","0.001","97.99","0.001","110.495","0.001","497.67","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis[μ-2-(2-aminoethyl)pyridine-κ^2^N:N']disilver(I) diperchlorate","","- C14 H20 Ag2 Cl2 N4 O8 -","- C14 H20 Ag2 Cl2 N4 O8 -","- C14 H20 Ag2 Cl2 N4 O8 -","1","0.5","FA1131","Khan, M. A. H.; Prasad, T. K.; Rajasekharan, M. V.","Silver(I) complexes of 2-(2-aminoethyl)pyridine: nitrate and perchlorate salts of bis[μ-2-(2-aminoethyl)pyridine-κ^2^<i>N</i>:<i>N</i>']disilver(I)","Acta Crystallographica Section C","2005","61","6","m281","m283","10.1107/S0108270105012448","","","0.71073","MoKα","","0.0188","0.0184","","","0.0477","0.048","","","","","","1.129","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014798","9.1229","0.0003","12.098","0.0005","32.8793","0.0012","90","","90","","90","","3628.9","0.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cis-Co(en)2(N3)2 picrate","cis-diazidobis(ethylenediamine-κ^2^N,N')cobalt(III) picrate","","- C10 H18 Co N13 O7 -","- C10 H18 Co N13 O7 -","- C80 H144 Co8 N104 O56 -","8","1","FA1132","Sharma, Raj Pal; Sharma, Rajni; Bala, Ritu; Bond, Andrew D.","Second-sphere coordination in anion binding: <i>cis</i>-diazidobis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) picrate","Acta Crystallographica Section C","2005","61","6","m272","m274","10.1107/S0108270105011960","","","0.71073","MoKα","","0.0503","0.0423","","","0.1111","0.1152","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014799","7.3269","0.0011","10.079","0.0016","21.813","0.003","90","","90","","90","","1610.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Aza-7-deaza-7-propynyladenosine methanol solvate","4-amino-3-propynyl-1-(β-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine methanol solvate","","- C14 H19 N5 O5 -","- C14 H19 N5 O5 -","- C56 H76 N20 O20 -","4","1","FG1796","Lin, Wenqing; Xu, Kui-Ying; Eickmeier, Henning; Seela, Frank","8-Aza-7-deaza-7-propynyladenosine methanol solvate","Acta Crystallographica Section C","2005","61","4","o195","o197","10.1107/S0108270105001927","","","0.71073","MoKα","","0.0755","0.0544","","","0.1494","0.1639","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014800","7.5295","0.0005","15.857","0.0013","12.3755","0.0009","90","","90.457","0.006","90","","1477.53","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(3-pyridinio)benzimidazolium] di-μ-chloro-bis[trichlorocadmium(II)]","","- C24 H22 Cd2 Cl8 N6 -","- C24 H22 Cd2 Cl8 N6 -","- C48 H44 Cd4 Cl16 N12 -","2","0.5","FG1821","Xia, Chang-Kun; Zhang, Quan-Zheng; Chen, Shu-Mei; He, Xiang; Lu, Can-Zhong","Bis[2-(3-pyridinio)benzimidazolium] di-μ-chloro-bis[trichlorocadmium(II)]","Acta Crystallographica Section C","2005","61","4","m203","m205","10.1107/S0108270105005937","","","0.71073","MoKα","","0.0371","0.0311","","","0.0888","0.0905","","","","","","1.163","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014801","9.3933","0.0011","11.4531","0.0014","11.9823","0.0013","93.289","0.009","105.303","0.009","93.674","0.01","1237.1","0.3","213","2","213","2","","","","","","","","3","P -1","-P 1","2","","bis(4-tert-butyl-2,6-dimethylphenyl)hexa-1,5-diyne-3,4-dione","","- C30 H34 O2 -","- C30 H34 O2 -","- C60 H68 O4 -","2","1","FG1824","Faust, Rüdiger; Bruhn, Clemens; Rossi, Sara","A diaryl-terminated hexa-1,5-diyne-3,4-dione","Acta Crystallographica Section C","2005","61","4","o253","o255","10.1107/S0108270105006426","","","0.71073","MoKα","","0.0552","0.0386","","","0.1019","0.1073","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014802","13.017","0.004","7.726","0.004","15.972","0.003","90","","95.675","0.019","90","","1598.4","1","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Biquinoline-κ^2^N,N')chloropalladium(II)","","- C18 H12 Cl2 N2 Pd -","- C18 H12 Cl2 N2 Pd -","- C72 H48 Cl8 N8 Pd4 -","4","1","FG1828","Muranishi, Yasunori; Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')dichloropalladium(II), -copper(II) and -zinc(II)","Acta Crystallographica Section C","2005","61","6","m307","m310","10.1107/S0108270105013375","","","0.71069","MoKα","","0.0528","0.0274","","","0.0683","0.0756","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014803","19.43","0.003","8.528","0.002","11.884","0.003","90","","125.991","0.01","90","","1593.3","0.6","296.2","","296.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Biquinoline-κ^2^N,N')chlorocopper(II)","","- C18 H12 Cl2 Cu N2 -","- C18 H12 Cl2 Cu N2 -","- C72 H48 Cl8 Cu4 N8 -","4","0.5","FG1828","Muranishi, Yasunori; Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')dichloropalladium(II), -copper(II) and -zinc(II)","Acta Crystallographica Section C","2005","61","6","m307","m310","10.1107/S0108270105013375","","","0.71069","MoKα","","0.1213","0.0453","","","0.1075","0.1307","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014804","7.986","0.002","12.257","0.006","16.839","0.0016","90","","102.464","0.013","90","","1609.4","0.9","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,2'-Biquinoline-κ^2^N,N')chlorozinc(II)","","- C18 H12 Cl2 N2 Zn -","- C18 H12 Cl2 N2 Zn -","- C72 H48 Cl8 N8 Zn4 -","4","1","FG1828","Muranishi, Yasunori; Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')dichloropalladium(II), -copper(II) and -zinc(II)","Acta Crystallographica Section C","2005","61","6","m307","m310","10.1107/S0108270105013375","","","0.71069","MoKα","","0.1458","0.0438","","","0.0982","0.1224","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014805","10.205","0.012","13.129","0.01","25.82","0.02","90","","99.26","0.04","90","","3414","5","296.1","","296.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ~2~-1,8-naphthyridine-1:2κ^2^N:N';3:4κ^2^N:N')- bis(μ~2~-salicylato-1:4κ^2^O:O';2:3κ^2^O:O')- tetrakis(salicylato-1κO;2κO;3κO;4κO)tetrasilver(I)(4 Ag—Ag)","","- C74 H56 Ag4 N8 O18 -","- C74 H56 Ag4 N8 O18 -","- C148 H112 Ag8 N16 O36 -","2","0.5","FG1829","Wang, Yue; Okabe, Nobuo","Tetrakis(μ~2~-1,8-naphthyridine)-1:2κ^4^<i>N</i>:<i>N</i>';3:4κ^4^<i>N</i>:<i>N</i>'-bis(μ~2~-salicylato)-1:4κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-tetrakis(salicylic acid)-1κ<i>O</i>,2κ<i>O</i>,3κ<i>O</i>,4κ<i>O</i>-tetrasilver(I)(4<i>Ag{—</i>Ag})","Acta Crystallographica Section C","2005","61","6","m263","m265","10.1107/S0108270105010498","","","0.71073","MoKα","","0.05","0.0267","","","0.0518","0.0538","","","","","","0.803","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014806","8.5791","0.0012","5.7966","0.0003","12.3414","0.0017","90","","111.645","0.01","90","","570.46","0.12","150","2","150","2","","","","","","","","2","P 1 21 1","P 2yb","4","","2,3-diphenylbuta-1,3-diene","","- C16 H14 -","- C16 H14 -","- C32 H28 -","2","1","FG1830","Lutz, Martin; Spek, Anthony L.; van der Wiel, Bas C.; van Walree, Cornelis A.","Pseudomerohedrally twinned crystal structure of 2,3-diphenylbuta-1,3-diene","Acta Crystallographica Section C","2005","61","5","o300","o302","10.1107/S0108270105008978","","","0.71073","MoKα","","0.0353","0.0314","","","0.0769","0.0802","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014807","8.7065","0.0018","7.7518","0.0013","9.333","0.004","90","","109.15","0.02","90","","595","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-bis(bromoacetamide)butane","Butane-1,4-diyl bis(bromoacetamide)","","- C8 H14 Br2 N2 O2 -","- C8 H14 Br2 N2 O2 -","- C16 H28 Br4 N4 O4 -","2","0.5","FG1832","Martínez-Palau, Meritxell; Urpí, Lourdes; Font-Bardia, Mercè; Puiggalí, Jordi","<i>N</i>,<i>N</i>'-Butane-1,4-diylbis(bromoacetamide)","Acta Crystallographica Section C","2005","61","6","o345","o347","10.1107/S0108270105011212","","","0.71073","MoKα","","0.1588","0.0599","","","0.129","0.1593","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014808","9.7456","0.0011","11.237","0.0012","14.5676","0.0016","73.043","0.002","70.943","0.002","85.26","0.002","1442.2","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis[(acetato-κ^2^O,O')bis(4,4'-dimethyl-2,2'-bipyridyl-κ^2^N,N')zinc(II)] trithionate pentahydrate","","- C52 H64 N8 O15 S3 Zn2 -","- C52 H64 N8 O15 S3 Zn2 -","- C52 H64 N8 O15 S3 Zn2 -","1","0.5","FG1836","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Bis[(acetato-κ^2^<i>O</i>,<i>O</i>')bis(4,4'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')zinc(II)] trithionate pentahydrate","Acta Crystallographica Section C","2005","61","6","m289","m291","10.1107/S0108270105012515","","","0.71073","MoKα","","0.0744","0.0541","","","0.1318","0.1443","","","","","","1.032","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014809","10.1195","0.0006","9.8062","0.0006","8.9643","0.0006","90","","99.098","0.001","90","","878.37","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DL-threonine‒arsenic acid (1/1)","","- C4 H12 As N O7 -","- C4 H12 As N O7 -","- C16 H48 As4 N4 O28 -","4","1","FG1837","Wilkinson, Hazel S.; Harrison, William T. A.","A 1:1 adduct of <small>DL</small>-threonine and arsenic acid","Acta Crystallographica Section C","2005","61","6","m253","m255","10.1107/S0108270105012291","","","0.71073","MoKα","","0.0665","0.0371","","","0.0795","0.087","","","","","","0.936","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014810","15.159","0.004","16.758","0.004","8.954","0.002","90","","116.534","0.004","90","","2035","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aquabis(1H-benzimidazole-κN^3^)manganese(II)]-μ-adipato]","","- C20 H22 Mn N4 O5 -","- C20 H22 Mn N4 O5 -","- C80 H88 Mn4 N16 O20 -","4","0.5","FR1500","Yu Liu; Duan-Jun Xu; Chen-Hsiung Hung","<i>catena</i>-Poly[[aquabis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)manganese(II)]-μ-adipato]","Acta Crystallographica Section C","2005","61","4","m155","m157","10.1107/S0108270105003057","","","0.71073","MoKα","","0.05","0.038","","","0.082","0.086","","","","","","0.925","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014811","10.1041","0.0004","7.221","0.0003","17.8026","0.0007","90","","90","","90","","1298.91","0.09","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,5-Dichloro-2,5-dihydrothiophene 1-oxide","","- C4 H4 Cl2 O S -","- C4 H4 Cl2 O S -","- C32 H32 Cl16 O8 S8 -","8","1","FR1507","Pett, Virginia B.; Haynes, LeRoy W.","2,5-Dichloro-2,5-dihydrothiophene 1-oxide: determinaton of the complete stereochemistry","Acta Crystallographica Section C","2005","61","4","o211","o212","10.1107/S0108270105004257","","","0.71073","MoKα","","0.0358","0.0315","","","0.0839","0.0894","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014812","7.2618","0.0011","7.5232","0.0012","19.033","0.005","90","","92.745","0.01","90","","1038.6","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ammonium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate monohydrate","","- C8 H7 N5 O3 -","- C8 H7 N5 O3 -","- C32 H28 N20 O12 -","4","1","FR1520","Tafeenko, Viktor A.; Peschar, Rene; Kajukov, Yakov S.; Kornilov, Kirill N.; Aslanov, Leonid A.","Ammonium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate monohydrate","Acta Crystallographica Section C","2005","61","6","o366","o368","10.1107/S0108270105009200","","","1.54179","CuKα","","0.0454","0.0389","","","0.0997","0.104","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014813","21.593","0.005","13.328","0.005","9.352","0.005","90","0.005","104.008","0.005","90","0.005","2611.4","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N^1^-(4-Bromophenyl)-N^2^-hydroxy-2-oxo-2-phenylacetamidine","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C112 H88 Br8 N16 O16 -","8","1","GA1096","Serkan Soylu; Murat Taş; Hümeyra Batı; Nezihe Çalışkan","<i>N</i>^1^-(4-Bromophenyl)-<i>N</i>^2^-hydroxy-2-oxo-2-phenylacetamidine","Acta Crystallographica Section C","2005","61","5","o343","o344","10.1107/S0108270105009868","","","0.71069","MoKα","","0.0813","0.0408","","","0.0793","0.0894","","","","","","0.994","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014814","9.885","0.003","8.867","0.002","17.092","0.004","90","","90","","90","","1498.1","0.7","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2H-tetrazole-κ^2^N^1^:N^4^]","","- C8 H16 Cl2 Cu N8 -","- C8 H16 Cl2 Cu N8 -","- C32 H64 Cl8 Cu4 N32 -","4","0.5","GA1097","Lyakhov, Alexander S.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","Coordination polymers formed by bridging 2-substituted tetrazole ligands: poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^] and poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section C","2005","61","4","m158","m160","10.1107/S0108270105004002","","","0.71073","MoKα","","0.0434","0.0408","","","0.1223","0.1243","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014815","8.524","0.003","8.855","0.003","9.593","0.002","90","","105.51","0.02","90","","697.7","0.4","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2H-tetrazole-κ^2^N^1^:N^4^]","","- C8 H12 Cl2 Cu N8 -","- C8 H12 Cl2 Cu N8 -","- C16 H24 Cl4 Cu2 N16 -","2","0.5","GA1097","Lyakhov, Alexander S.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","Coordination polymers formed by bridging 2-substituted tetrazole ligands: poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^] and poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section C","2005","61","4","m158","m160","10.1107/S0108270105004002","","","0.71073","MoKα","","0.0387","0.0365","","","0.1068","0.1085","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014816","11.1069","0.0018","8.2919","0.0014","18.642","0.003","90","","98.061","0.003","90","","1699.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloro(2-benzoylpyridine-κN)(butane-1,4-diyl)thiosemicarbazonato- κ^2^N^1^,S)copper(II)","","- C17 H17 Cl Cu N4 S -","- C17 H17 Cl Cu N4 S -","- C68 H68 Cl4 Cu4 N16 S4 -","4","1","GA1101","A. Sreekanth; V. Suni; Rohith P. John; Munirathinam Nethaji; M. R. Prathapachandra Kurup","Bis(μ-phenyl 2-pyridyl ketone <i>N</i>^4^,<i>N</i>^4^-butane-1,4-diylthiosemicarbazonato)bis[chlorocopper(II)]","Acta Crystallographica Section C","2005","61","6","m284","m286","10.1107/S010827010501142X","","","0.71073","MoKα","","0.0387","0.0312","","","0.0764","0.0798","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014817","11.059","0.006","14.254","0.007","14.615","0.008","87.526","0.008","74.913","0.008","87.249","0.008","2221","2","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","μ-peroxodisulfato-1κO:2κO'-bis[(acetato-κ^2^O,O')aqua(2,2':6',2''- terpyridine-κ^3^N,N',N'')cadmium(II) heptahydrate","","- C34 H46 Cd2 N6 O21 S2 -","- C34 H32 Cd2 N6 O21 S2 -","- C68 H64 Cd4 N12 O42 S4 -","2","1","GA1102","M. Enriqueta Díaz de Vivar; Miguel Angel Harvey; María Teresa Garland; Sergio Baggio; Ricardo Baggio","Two Cd and Hg peroxodisulfate complexes with aromatic amines","Acta Crystallographica Section C","2005","61","5","m240","m244","10.1107/S0108270105009273","","","0.71073","MoKα","","0.0806","0.0458","","","0.1049","0.1214","","","","","","0.867","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014818","7.334","0.0011","30.125","0.006","10.434","0.0017","90","","103.689","0.015","90","","2239.8","0.7","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-poly[[[bis(2,2'-bipyridine-κ^2^N,N')mercury(II)]-μ-peroxodisulfato- κ^2^O:O'] 0.4-hydrate]","","- C20 H16.8 Hg N4 O8.4 S2 -","- C20 H16.7988 Hg N4 O8.3994 S2 -","- C80 H67.1952 Hg4 N16 O33.5976 S8 -","4","1","GA1102","M. Enriqueta Díaz de Vivar; Miguel Angel Harvey; María Teresa Garland; Sergio Baggio; Ricardo Baggio","Two Cd and Hg peroxodisulfate complexes with aromatic amines","Acta Crystallographica Section C","2005","61","5","m240","m244","10.1107/S0108270105009273","","","0.71073","MoKα","","0.0368","0.0279","","","0.0585","0.0613","","","","","","0.84","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014819","14.79","0.015","9.373","0.008","15.01","0.03","90","","90","","90","","2081","5","298","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(Triphenylmethylsulfanyl)phthalimide","","- C27 H19 N O2 S -","- C27 H19 N O2 S -","- C108 H76 N4 O8 S4 -","4","1","GD1360","Brito, Ivań; Vargas, Danitza; Reyes, Andrea; Cárdenas, Alejandro; López-Rodríguez, Matías","<i>N</i>-(Triphenylmethylsulfanyl)phthalimide","Acta Crystallographica Section C","2005","61","4","o234","o236","10.1107/S0108270105004270","","","0.71073","MoKα","","","0.0478","","","","0.1136","","","","","","1.191","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014820","9.434","0.002","10.905","0.002","12.26","0.002","103.14","0.03","103.4","0.03","109.51","0.03","1090.8","0.6","290","2","290","2","","","","","","","","7","P -1","-P 1","2","","9-[2,6-Dichlorophenoxy)carbonyl]-10-methylacridinium trifluoromethanesulfonate","","- C22 H14 Cl2 F3 N O5 S -","- C22 H14 Cl2 F3 N O5 S -","- C44 H28 Cl4 F6 N2 O10 S2 -","2","1","GD1365","Artur Sikorski; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski","9-(2,6-Dichlorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-dichlorophenyl acridine-9-carboxylate","Acta Crystallographica Section C","2005","61","4","o227","o230","10.1107/S0108270105004506","","","0.71073","MoKα","","0.1254","0.0438","","","0.095","0.1214","","","","","","0.999","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014821","8.004","0.002","9.423","0.002","12.428","0.002","101.92","0.03","107.04","0.03","105.37","0.03","822","0.4","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","2,6-dichlorophenyl acridine-9-carboxylate","","- C20 H11 Cl2 N O2 -","- C20 H11 Cl2 N O2 -","- C40 H22 Cl4 N2 O4 -","2","1","GD1365","Artur Sikorski; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski","9-(2,6-Dichlorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-dichlorophenyl acridine-9-carboxylate","Acta Crystallographica Section C","2005","61","4","o227","o230","10.1107/S0108270105004506","","","0.71073","MoKα","","0.0689","0.0328","","","0.0842","0.0982","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014822","8.743","0.002","14.696","0.003","8.565","0.003","90","","93.29","0.02","90","","1098.7","0.5","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","cobaloxime","[(S)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^N,N')[(S)-1- phenylethylamine]cobalt(III)","","- C19 H31 Co N6 O5 -","- C19 H31 Co N6 O5 -","- C38 H62 Co2 N12 O10 -","2","1","GD1367","Orisaku, Keiko Komori; Hagiwara, Mieko; Ohgo, Yoshiki; Arai, Yoshifusa; Ohgo, Yoshiaki","[(<i>S</i>)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>S</i>)-1-phenylethylamine]cobalt(III) and bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(<i>N</i>-methylcarbamoyl)ethyl][(<i>R</i>)-1-phenylethylamine]cobalt(III) monohydrate","Acta Crystallographica Section C","2005","61","4","m190","m193","10.1107/S0108270105004725","","","0.71069","MoKα","","0.0318","0.0246","","","0.063","0.0658","","","","","","1.211","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014823","14.1206","0.0019","14.169","0.002","12.372","0.002","90","","90","","90","","2475.3","0.6","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cobaloxime","bis(dimethylglyoximato-κ^2^N,N')[(R)-1-(N-methylcarbamoyl)ethyl][(R)- 1-phenylethylamine]cobalt(III) monohydrate","","- C20 H35 Co N6 O6 -","- C20 H35 Co N6 O6 -","- C80 H140 Co4 N24 O24 -","4","1","GD1367","Orisaku, Keiko Komori; Hagiwara, Mieko; Ohgo, Yoshiki; Arai, Yoshifusa; Ohgo, Yoshiaki","[(<i>S</i>)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>S</i>)-1-phenylethylamine]cobalt(III) and bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(<i>N</i>-methylcarbamoyl)ethyl][(<i>R</i>)-1-phenylethylamine]cobalt(III) monohydrate","Acta Crystallographica Section C","2005","61","4","m190","m193","10.1107/S0108270105004725","","","0.71069","MoKα","","0.1613","0.0381","","","0.0783","0.1048","","","","","","0.981","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014824","7.282","0.005","19.456","0.005","11.954","0.005","90","","105.326","0.005","90","","1633.4","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(Acridin-9-ylimino)-3-(dimethylamino)-1,3-thiazolidin-4-one","2-(Acridin-9-ylimino)-3-dimethylamino-1,3-thiazolidin-4-one","","- C18 H16 N4 O S -","- C18 H16 N4 O S -","- C72 H64 N16 O4 S4 -","4","1","GD1369","Ján Imrich; Mária Vilková; Juraj Černák","2-(Acridin-9-ylimino)-3-dimethylamino-1,3-thiazolidin-4-one","Acta Crystallographica Section C","2005","61","4","o231","o233","10.1107/S0108270105005044","","","0.71069","MoKα","","0.0728","0.0353","","","0.0693","0.0785","","","","","","0.871","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014825","7.2251","0.0011","11.193","0.0017","12.2219","0.0018","90","","101.099","0.002","90","","969.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2Z)-3-(5-hydroxy-4-oxo-4H-chromen-3-yl)acrylonitrile","","- C12 H7 N O3 -","- C12 H7 N O3 -","- C48 H28 N4 O12 -","4","1","GD1370","Araya-Maturana, Ramiro; Heredia-Moya, Jorge; Pessoa-Mahana, Hernán; Weiss-López, Boris; Muñoz, Juan Carlos","(2<i>Z</i>)-3-(5-Hydroxy-4-oxo-4<i>H</i>-chromen-3-yl)acrylonitrile","Acta Crystallographica Section C","2005","61","4","o237","o239","10.1107/S0108270105004841","","","0.71073","MoKα","","0.0569","0.0414","","","0.1074","0.113","","","","","","0.985","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014826","11.5493","0.0006","11.6207","0.0006","8.5251","0.0004","90","","107.334","0.002","90","","1092.2","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid","","- C10 H8 Cl F2 N O3 -","- C10 H8 Cl F2 N O3 -","- C40 H32 Cl4 F8 N4 O12 -","4","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.2354","0.1206","","","0.2782","0.3299","","","","","","1.569","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014827","4.9174","0.0003","8.3976","0.0003","13.5487","0.0007","90","","91.208","0.002","90","","559.36","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid","","- C11 H11 F2 N O3 -","- C11 H11 F2 N O3 -","- C22 H22 F4 N2 O6 -","2","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.0425","0.0358","","","0.0828","0.0862","","","","","","1.078","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014828","5.0075","0.0003","11.5863","0.0011","12.2219","0.0011","87.304","0.004","89.327","0.005","78.588","0.005","694.3","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(2-acetylaminophenyl)-2,2-difluoro-N-phenylacetamide","","- C16 H14 F2 N2 O2 -","- C16 H14 F2 N2 O2 -","- C32 H28 F4 N4 O4 -","2","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.1368","0.0525","","","0.0961","0.1178","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014829","16.5777","0.001","9.8176","0.0006","9.6962","0.0006","90","","96.01","0.001","90","","1569.41","0.17","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-acetylaminophenyl)-N-(4-chlorophenyl)-2,2-difluoroacetamide","","- C16 H13 Cl F2 N2 O2 -","- C16 H13 Cl F2 N2 O2 -","- C64 H52 Cl4 F8 N8 O8 -","4","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.1317","0.0545","","","0.1055","0.1324","","","","","","1.003","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014830","18.472","0.004","7.3227","0.0015","18.247","0.004","90","","115.293","0.003","90","","2231.6","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquanickel(II) bis(4',7-dimethoxylisoflavone-3'-sulfonate) octahydrate","","- C34 H54 Ni O28 S2 -","- C34 H54 Ni O28 S2 -","- C68 H108 Ni2 O56 S4 -","2","0.5","GD1372","Qiu-Ya Wang; Zun-Ting Zhang","Hexaaquanickel(II) bis(4',7-dimethoxyisoflavone-3'-sulfonate) octahydrate","Acta Crystallographica Section C","2005","61","5","m215","m217","10.1107/S0108270105007250","","","0.71073","MoKα","","0.0439","0.0321","","","0.0832","0.0923","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014831","9.417","0.0002","10.832","0.0002","13.141","0.0003","67.839","0.0008","81.304","0.0009","78.316","0.0009","1211.56","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","diaquadimethanolbis(1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene)zinc(II) bis(perchlorate) 1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene methanol 1.72-solvate 1.28-hydrate","","- C39.72 H51.44 Cl2 N12 O15 Zn -","- C39.72 H47.16 Cl2 N12 O15 Zn -","- C39.72 H47.16 Cl2 N12 O15 Zn -","1","0.5","GD1374","Rinat Shoshnik; Helena Elengoz; Israel Goldberg","Concerted coordination and hydrogen-bonding network of the 1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene [Zn(MeOH)~2~(H~2~O)~2~](ClO~4~)~2~ 3:1 complex","Acta Crystallographica Section C","2005","61","4","m187","m189","10.1107/S0108270105005329","","","0.71073","MoKα","","0.0621","0.052","","","0.1254","0.1317","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014832","8.519","0.0009","16.211","0.0015","11.862","0.002","90","","104.46","0.02","90","","1586.3","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-isopropoxy-4-methyl-β-carboline-3-carboxylate","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","GD1376","Camerman, Arthur; Mastropaolo, Donald; Hempel, Andrew; Camerman, Norman","Ethyl 5-isopropoxy-4-methyl-β-carboline-3-carboxylate: structural determinants of benzodiazepine-receptor antagonism","Acta Crystallographica Section C","2005","61","4","o265","o266","10.1107/S0108270105005457","","","0.71073","MoKα","","0.0558","0.0394","","","0.0965","0.1074","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014833","8.918","0.001","12.185","0.001","9.809","0.002","90","","106.28","0.01","90","","1023.2","0.3","295","","295","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(η^5^-Cyclopentadienyl)(N,N-dimethyldithiocarbamato-κ^2^S,S')(η^4^- tetrakis(trifluoromethyl)cyclobutadienyl)molybdenum(IV)","","- C16 H11 F12 Mo N S2 -","- C16 H11 F12 Mo N S2 -","- C32 H22 F24 Mo2 N2 S4 -","2","0.5","GD1377","Davidson, Jack L.; Jarvie, Alice; Muir, Kenneth W.","(η^5^-Cyclopentadienyl)(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[η^4^-tetrakis(trifluoromethyl)cyclobutadienyl]molybdenum(IV)","Acta Crystallographica Section C","2005","61","4","m209","m210","10.1107/S0108270105006086","","","0.71069","MoKα","","0.0289","0.0241","","","0.0655","0.0691","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014834","11.6308","0.0015","11.9248","0.0016","18.569","0.002","96.558","0.002","106.782","0.002","105.669","0.002","2321.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,3-diphenyl-1,3-propanedionato-κ^2^O,O'){hydrotris[3-(2-pyridyl)pyrazol- 1-yl]borato}praseodymium(III)","","- C54 H41 B N9 O4 Pr -","- C54 H41 B N9 O4 Pr -","- C108 H82 B2 N18 O8 Pr2 -","2","1","GD1380","Graham M. Davies; Harry Adams; Michael D. Ward","Bis(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>'){hydrotris[3-(2-pyridyl)pyrazol-1-yl]borato}praseodymium(III): another member of an unpredictable series","Acta Crystallographica Section C","2005","61","5","m221","m223","10.1107/S0108270105007791","","","0.71073","MoKα","","0.0428","0.0334","","","0.0706","0.0744","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014835","10.705","0.017","9.269","0.012","17.53","0.03","90","","97.83","0.13","90","","1723","5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2RS,7RS,8RS)-8,9,11,12-Tetrachloro-N-ethyltricyclo[6.2.2.0^2,7^]dodeca- 9,11-diene-1,10-dicarboximide","","- C16 H15 Cl4 N O2 -","- C16 H15 Cl4 N O2 -","- C64 H60 Cl16 N4 O8 -","4","1","GD1384","Grimley, Fionuala M.; O'Donnell, Cormac; Pratt, Albert C.; Long, Conor; Howie, R. Alan","The (1<i>RS</i>,2<i>RS</i>,7<i>RS</i>,8<i>RS</i>)- and (1<i>RS</i>,2<i>SR</i>,7<i>SR</i>,8<i>RS</i>)-diastereoisomers of 8,9,11,12-tetrachloro-<i>N</i>-ethyltricyclo[6.2.2.0^2,7^]dodeca-9,11-diene-1,10-dicarboximide","Acta Crystallographica Section C","2005","61","6","o369","o372","10.1107/S0108270105010218","","","0.71073","MoKα","","0.1332","0.0634","","","0.1382","0.1589","","","","","","1.005","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014836","10.937","0.007","9.228","0.004","17.1","0.006","90","","94.83","0.04","90","","1719.7","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,7SR,8RS)-8,9,11,12-tetrachloro-N-ethyltricyclo[6.2.2.0^2,7^]dodeca- 9,11-diene-1,10-dicarboximide","","- C16 H15 Cl4 N O2 -","- C16 H15 Cl4 N O2 -","- C64 H60 Cl16 N4 O8 -","4","1","GD1384","Grimley, Fionuala M.; O'Donnell, Cormac; Pratt, Albert C.; Long, Conor; Howie, R. Alan","The (1<i>RS</i>,2<i>RS</i>,7<i>RS</i>,8<i>RS</i>)- and (1<i>RS</i>,2<i>SR</i>,7<i>SR</i>,8<i>RS</i>)-diastereoisomers of 8,9,11,12-tetrachloro-<i>N</i>-ethyltricyclo[6.2.2.0^2,7^]dodeca-9,11-diene-1,10-dicarboximide","Acta Crystallographica Section C","2005","61","6","o369","o372","10.1107/S0108270105010218","","","0.71073","MoKα","","0.0965","0.0531","","","0.119","0.1343","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014837","19.0297","0.0017","11.03","0.0019","12.0952","0.0019","90","","128.519","0.009","90","","1986.3","0.6","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[diaquabis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato-κ^2^N^3^:N^3'^)zinc(II)] dihydrate]","","- C16 H10 N8 O8 Zn -","- C16 H10 N8 O8 Zn -","- C64 H40 N32 O32 Zn4 -","4","0.5","GD1389","Tafeenko, Viktor A.; Chernyshev, Vladimir V.","Poly[[[diaquazinc(II)]-bis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olato-κ^2^<i>N</i>^3^:<i>N</i>^3'^)] dihydrate]","Acta Crystallographica Section C","2005","61","6","m298","m300","10.1107/S0108270105013399","","","1.54179","CuKα","","0.0488","0.0462","","","0.0976","0.1003","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014838","21.343","0.007","15.26","0.005","16.658","0.006","90","","127.094","0.005","90","","4328","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cr2 N4 Ni O7 -","- C20 H16 Cr2 N4 Ni O7 -","- C160 H128 Cr16 N32 Ni8 O56 -","8","1","GG1225","Amy L. Kopf; Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier","Poly[nickel(II)-di-μ-4,4'-bipyridyl-κ^4^<i>N</i>:<i>N</i>'-μ-dichromato-κ^2^<i>O</i>:<i>O</i>'] and poly[copper(II)-di-μ-4,4'-bipyridyl-κ^4^<i>N</i>:<i>N</i>'-μ-dichromato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","4","m165","m168","10.1107/S0108270105001605","","","0.71073","MoKα","","0.0479","0.038","","","0.0911","0.0985","","","","","","1.084","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014839","21.603","0.003","14.8505","0.0018","16.604","0.002","90","","125.682","0.002","90","","4326.8","1","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cr2 Cu N4 O7 -","- C20 H16 Cr2 Cu N4 O7 -","- C160 H128 Cr16 Cu8 N32 O56 -","8","1","GG1225","Amy L. Kopf; Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier","Poly[nickel(II)-di-μ-4,4'-bipyridyl-κ^4^<i>N</i>:<i>N</i>'-μ-dichromato-κ^2^<i>O</i>:<i>O</i>'] and poly[copper(II)-di-μ-4,4'-bipyridyl-κ^4^<i>N</i>:<i>N</i>'-μ-dichromato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","4","m165","m168","10.1107/S0108270105001605","","","0.71073","MoKα","","0.0365","0.0308","","","0.081","0.0848","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014840","16.74","0.005","19.173","0.005","6.632","0.002","90","","90","","90","","2128.6","1.1","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(+)-(αS,1S,4R)-α,4-dimethyl-2-oxocyclohexaneacetic acid","","- C10 H16 O3 -","- C10 H16 O3 -","- C80 H128 O24 -","8","2","GG1241","Davison, Mark; Kikolski, Elizabeth M.; Mostafavi, David; Lalancette, Roger A.; Thompson, Hugh W.","Two (+)-α,4-dimethyl-2-oxocyclohexaneacetic acids: hydrogen bonding in a terpenoid γ-keto acid and in a diastereomeric lactol","Acta Crystallographica Section C","2005","61","4","o249","o252","10.1107/S0108270105004944","","","0.71073","MoKα","","0.152","0.059","","","0.074","0.093","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014841","6.728","0.002","7.455","0.002","19.829","0.005","90","","90","","90","","994.6","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-(3R,3aR,6R,7aR)-hexahydro-7a-hydroxy-3,6-dimethylbenzo[a]furan-2-one'","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","GG1241","Davison, Mark; Kikolski, Elizabeth M.; Mostafavi, David; Lalancette, Roger A.; Thompson, Hugh W.","Two (+)-α,4-dimethyl-2-oxocyclohexaneacetic acids: hydrogen bonding in a terpenoid γ-keto acid and in a diastereomeric lactol","Acta Crystallographica Section C","2005","61","4","o249","o252","10.1107/S0108270105004944","","","0.71073","MoKα","","0.057","0.038","","","0.075","0.082","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014842","10.79","0.0006","18.4004","0.001","10.8403","0.0006","90","","92.877","0.001","90","","2149.5","0.2","115","2","115","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","9,9'-spirobifluorene‒benzene (1/1)","","- C31 H22 -","- C31 H22 -","- C124 H88 -","4","1","GG1249","Douthwaite, Richard E.; Taylor, Andrew; Whitwood, Adrian C.","A new polymorph and two inclusion compounds of 9,9'-spirobifluorene","Acta Crystallographica Section C","2005","61","5","o328","o331","10.1107/S0108270105009479","","","0.71073","MoKα","","0.0556","0.042","","","0.1031","0.1108","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014843","9.774","0.004","11.427","0.004","13.075","0.005","71.339","0.008","83.106","0.009","67.03","0.007","1273.8","0.8","115","2","115","2","","","","","","","","2","P -1","-P 1","2","","9,9'-spirobifluorene‒biphenyl (1/1)","","- C37 H26 -","- C37 H26 -","- C74 H52 -","2","1","GG1249","Douthwaite, Richard E.; Taylor, Andrew; Whitwood, Adrian C.","A new polymorph and two inclusion compounds of 9,9'-spirobifluorene","Acta Crystallographica Section C","2005","61","5","o328","o331","10.1107/S0108270105009479","","","0.71073","MoKα","","0.15","0.0785","","","0.1874","0.248","","","","","","0.919","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014844","18.2491","0.0017","11.1522","0.001","18.6918","0.0017","90","","117.907","0.002","90","","3361.7","0.5","115","2","115","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","9,9'-spirobifluorene","","- C25 H16 -","- C25 H16 -","- C200 H128 -","8","2","GG1249","Douthwaite, Richard E.; Taylor, Andrew; Whitwood, Adrian C.","A new polymorph and two inclusion compounds of 9,9'-spirobifluorene","Acta Crystallographica Section C","2005","61","5","o328","o331","10.1107/S0108270105009479","","","0.71073","MoKα","","0.0516","0.0412","","","0.1073","0.1187","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014845","6.2517","0.0002","12.0363","0.0005","9.9464","0.0003","90","","102.927","0.003","90","","729.47","0.04","297","1","297","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-1,2-bis(1-methylbenzimidazol-2-yl)ethene","","- C18 H16 N4 -","- C18 H16 N4 -","- C36 H32 N8 -","2","0.5","GG1255","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Three structures containing (<i>E</i>)-1,2-bis(benzimidazol-2-yl)ethene groups","Acta Crystallographica Section C","2005","61","6","o354","o357","10.1107/S0108270105011881","","","0.71073","MoKα","","0.0427","0.0376","","","0.1061","0.111","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014846","5.1789","0.0004","11.2713","0.0008","14.4525","0.0009","90","","94.905","0.005","90","","840.55","0.1","298","1","298","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-bis(1-ethylbenzimidazol-2-yl)ethene","","- C20 H20 N4 -","- C20 H20 N4 -","- C40 H40 N8 -","2","0.5","GG1255","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Three structures containing (<i>E</i>)-1,2-bis(benzimidazol-2-yl)ethene groups","Acta Crystallographica Section C","2005","61","6","o354","o357","10.1107/S0108270105011881","","","0.71073","MoKα","","0.0707","0.0555","","","0.1457","0.1562","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014847","14.381","0.0005","8.3007","0.0003","16.4788","0.0006","90","","91.561","0.003","90","","1966.38","0.12","297","1","297","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazol-1-ium perchlorate","","- C20 H21 Cl N4 O4 -","- C20 H21 Cl N4 O4 -","- C80 H84 Cl4 N16 O16 -","4","1","GG1255","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Three structures containing (<i>E</i>)-1,2-bis(benzimidazol-2-yl)ethene groups","Acta Crystallographica Section C","2005","61","6","o354","o357","10.1107/S0108270105011881","","","0.71073","MoKα","","0.0631","0.0492","","","0.1373","0.1483","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014848","8.326","0.005","13.588","0.005","12.401","0.005","90","0.005","90","0.005","90","0.005","1403","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Bis(3-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)butane","","- C12 H20 N6 O2 -","- C12 H20 N6 O2 -","- C48 H80 N24 O8 -","4","0.5","GZ1000","Ocak Ískeleli, Nazan; Işık, Şamil; Sancak, Kemal; Şaşmaz, Selami; Ünver, Yasemin; Er, Mustafa","4,4'-Butane-1,4-diylbis[3-ethyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one] and 4-hydroxy-3-<i>n</i>-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2005","61","6","o363","o365","10.1107/S0108270105008449","","","0.71073","MoKα","","0.0663","0.0333","","","0.0662","0.0715","","","","","","0.804","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014849","27.01","0.003","4.2067","0.0003","12.1089","0.0014","90","","91.715","0.009","90","","1375.2","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-hydroxy-3-n-propyl-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C5 H9 N3 O2 -","- C5 H9 N3 O2 -","- C40 H72 N24 O16 -","8","1","GZ1000","Ocak Ískeleli, Nazan; Işık, Şamil; Sancak, Kemal; Şaşmaz, Selami; Ünver, Yasemin; Er, Mustafa","4,4'-Butane-1,4-diylbis[3-ethyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one] and 4-hydroxy-3-<i>n</i>-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2005","61","6","o363","o365","10.1107/S0108270105008449","","","0.71073","MoKα","","0.0386","0.0351","","","0.096","0.0979","","","","","","1.129","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014850","7.297","0.002","7.297","0.002","30.304","0.003","90","","90","","120","","1397.4","0.6","153.7","0.1","153.7","0.1","","","","","","","","3","P 31","P 31","144","21-De-oxy cortisone","4-Pregnen-17α-ol-3,11,20-trione","","- C21 H28 O4 -","- C21 H28 O4 -","- C63 H84 O12 -","3","1","HJ1040","Raja Dey; Vratislav Langer; P. Roychowdhury; S. Roychowdhury; M. G. B. Drew","21-Deoxycortisone (17α-hydroxy-4-pregnene-3,11,20-trione)","Acta Crystallographica Section C","2005","61","4","o201","o203","10.1107/S0108270105003756","","","0.71073","MoKα","","0.0776","0.0646","","","0.1266","0.1318","","","","","","1.19","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014851","9.227","0.003","15.323","0.006","16.504","0.006","90","","90","","90","","2333.4","1.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[(R)-1-(2-Hydroxy-5-methylphenyl)ethyl]-N-[(R)-1-(2-methoxy-5- methylphenyl)-2-phenylethyl]aminium chloride","","- C25 H30 Cl N O2 -","- C25 H30 Cl N O2 -","- C100 H120 Cl4 N4 O8 -","4","1","HJ1041","Yang, Xiao-Feng; Zhang, Guang-You; Zhang, Yan; Zhao, Jin-Yan; Wang, Xiang-Bo","<i>N</i>-[(<i>R</i>)-1-(2-Hydroxy-5-methylphenyl)ethyl]-<i>N</i>-[(<i>R</i>)-1-(2-methoxy-5-methylphenyl)-2-phenylethyl]aminium chloride","Acta Crystallographica Section C","2005","61","4","o262","o264","10.1107/S0108270105005676","","","0.71073","MoKα","","0.0619","0.0377","","","0.083","0.0966","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014852","18.1668","0.0012","13.6273","0.001","9.2692","0.0007","90","","102.998","0.003","90","","2235.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[bis(4-aminopyridine-κN)aquacadmium(II)]-μ-1,4- phenylenediacetato-κ^4^O,O':O'',O'''] dihydrate]","","- C20 H26 Cd N4 O7 -","- C20 H26 Cd N4 O7 -","- C80 H104 Cd4 N16 O28 -","4","1","HJ1044","Lin, Xiue; Wang, Yan-Qin; Cao, Rong; Li, Feng; Bi, Wen-Hua; Wang, Yu-Ling; Li, Xiao-Ju","A new chain-like cadmium(II) coordination polymer containing chains of water molecules","Acta Crystallographica Section C","2005","61","6","m292","m294","10.1107/S0108270105007274","","","0.71073","MoKα","","0.0526","0.0448","","","0.1398","0.148","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014853","9.254","0.003","13.726","0.004","13.572","0.005","90","","102.57","0.03","90","","1682.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-5-methylpyridinium (2-amino-5-methylpyridine)trichlorozincate(II)","","- C12 H17 Cl3 N4 Zn -","- C12 H17 Cl3 N4 Zn -","- C48 H68 Cl12 N16 Zn4 -","4","1","HJ1045","Zhi-Min Jin; Bin Tu; Lin He; Mao-Lin Hu; Jian-Wei Zou","2-Amino-5-methylpyridinium (2-amino-5-methylpyridine)trichlorozincate(II)","Acta Crystallographica Section C","2005","61","4","m197","m199","10.1107/S0108270105006694","","","0.71073","MoKα","","0.0414","0.0307","","","0.0701","0.0722","","","","","","0.934","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014854","7.2163","0.0006","24.102","0.002","8.0669","0.0007","90","","101.776","0.001","90","","1373.5","0.2","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","gallium(acacen)chloride","[N,N'-Ethylenediiminobis(acetylacetonato)]chlorogallium(III)","","- C12 H18 Cl Ga N2 O2 -","- C12 H18 Cl Ga N2 O2 -","- C48 H72 Cl4 Ga4 N8 O8 -","4","1","HJ1048","Vohs, Jason K.; Miller, Duston O.; Denomme, Dan R.; Ziller, Joseph W.; Fahlman, Bradley D.","Chloro[<i>N</i>,<i>N</i>'-ethylenediiminobis(acetylacetonato)]gallium(III)","Acta Crystallographica Section C","2005","61","6","m287","m288","10.1107/S0108270105013594","","","0.71073","MoKα","","0.0243","0.02","","","0.0487","0.0505","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014855","7.5229","0.0017","13.083","0.003","22.149","0.005","90","","90","","90","","2180","0.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-Methyl-2-pyridone","6-Methyl-2-pyridone","","- C6 H7 N O -","- C6 H7 N O -","- C96 H112 N16 O16 -","16","4","HJ1052","Nichol, Gary S.; Clegg, William","6-Methyl-2-pyridone: an elusive structure finally solved","Acta Crystallographica Section C","2005","61","6","o383","o385","10.1107/S0108270105012485","","","0.6768","synchrotron","","0.0966","0.0504","","","0.1073","0.1275","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014856","10.0017","0.0008","13.0822","0.0008","12.071","0.0004","90","","90","","90","","1579.42","0.17","298","","298","","","","","","","","","4","C 2 2 21","C 2c 2","20","","rubidium trigallium bis(triphosphate)","","- Ga3 O20 P6 Rb -","- Ga3 O20 P6 Rb -","- Ga12 O80 P24 Rb4 -","4","0.5","IZ1050","Lesage, Julien; Guesdon, Anne; Raveau, Bernard","RbGa~3~(P~3~O~10~)~2~: a new gallium phosphate isotypic with RbAl~3~(P~3~O~10~)~2~","Acta Crystallographica Section C","2005","61","5","i44","i46","10.1107/S0108270105006888","","","0.71069","MoKα","","0.1075","0.035","","","0.029","0.0339","","","","","","0.9","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014857","10.6953","0.0012","10.5017","0.0011","7.6064","0.0011","90","","130.504","0.007","90","","649.61","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rubidium gadolinium bis(tungstate)","","- Gd O8 Rb W2 -","- Gd O8 Rb W2 -","- Gd4 O32 Rb4 W8 -","4","0.5","IZ1053","Kun-Peng Wang; Wen-Tao Yu; Jian-Xiu Zhang; Ji-Yang Wang; Huai-Jin Zhang; Xu-Ping Wang","Rubidium gadolinium bis(tungstate)","Acta Crystallographica Section C","2005","61","6","i65","i66","10.1107/S0108270105010504","","","0.71073","MoKα","","0.053","0.0496","","","0.1324","0.1362","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014858","16.988","0.005","8.264","0.005","16.684","0.005","90","","115.545","0.005","90","","2113.3","1.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","poly[μ~2~-aqua-m~3~-dimethylformide-bis(μ~3~-phenylphosphonato)dipotassium]","poly[μ~2~-aqua-m~3~-dimethylformide-bis(μ~3~-phenylphosphonato)dipotassium]","","- C15 H21 K2 N O8 P2 -","- C15 H21 K2 N O8 P2 -","- C60 H84 K8 N4 O32 P8 -","4","1","JZ1691","Siquiera, Márcia R.; Facco, Janaina T.; Lang, Ernesto S.; Lorenzini, Fabiane; Rizzatti, Mara R.; Ellena, Javier; Burrow, Robert A.","Layered poly[μ~2~-aqua-μ~3~-dimethylformamide-di-μ~3~-phenylphosphonato-dipotassium]","Acta Crystallographica Section C","2005","61","4","m161","m164","10.1107/S0108270105001526","","","0.71073","MoKα","","0.0767","0.0441","","","0.1004","0.1158","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014859","9.6622","0.0002","14.9139","0.0004","13.985","0.0004","90","","90","","90","","2015.25","0.09","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","mer-Triiodotripyridineindium(III)","","- C15 H15 I3 In N3 -","- C15 H15 I3 In N3 -","- C60 H60 I12 In4 N12 -","4","0.5","JZ1705","Pardoe, Jennifer A. J.; Cowley, Andrew R.; Downs, Anthony J.; Greene, Timothy M.","<i>mer</i>-Triiodotripyridineindium(III)","Acta Crystallographica Section C","2005","61","4","m200","m202","10.1107/S0108270105006360","","","0.71073","MoKα","","0.0409","0.0248","","0.0427","0.0285","0.0285","","","","","","1.0149","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014860","6.878","0.0018","10.144","0.002","17.283","0.002","90","","90","","90","","1205.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-Fluoro-2'-deoxytubercidin","","- C11 H13 F N4 O3 -","- C11 H13 F N4 O3 -","- C44 H52 F4 N16 O12 -","4","1","JZ1715","Seela, Frank; Xu, Kui-Ying; Eickmeier, Henning","2'-Deoxy-5-fluorotubercidin","Acta Crystallographica Section C","2005","61","6","o408","o410","10.1107/S0108270105014265","","","0.71073","MoKα","","0.0703","0.0446","","","0.1049","0.1196","","","","","","1.035","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014861","11.3534","0.0002","12.3455","0.0002","15.3328","0.0004","67.918","0.009","84.242","0.013","69.034","0.01","1858.15","0.19","173.1","","","","","","","","","","","5","P -1","-P 1","2","","Bis(μ-pyridine-2-thiolato)-κ^4^S:N;N:S-bis[(pyridine-2-thiolato- κS)(2-pyridylphenyl-κ^2^N,C^2^)platinum(III)](Pt—Pt)","","- C42 H32 N6 Pt2 S4 -","- C42 H32 N6 Pt2 S4 -","- C84 H64 N12 Pt4 S8 -","2","1","OB1216","Koshiyama, Tamami; Kato, Masako","Bis(μ-pyridine-2-thiolato)-κ^4^<i>S</i>:<i>N</i>;<i>N</i>:<i>S</i>-bis[(pyridine-2-thiolato-κ<i>S</i>)(2-pyridylphenyl-κ^2^<i>N</i>,<i>C</i>^2^)platinum(III)](<i>Pt{—</i>Pt}): the non-solvated and acetonitrile-solvated forms","Acta Crystallographica Section C","2005","61","4","m173","m176","10.1107/S0108270105004968","","","0.7107","MoKα","","","0.048","","","","0.085","","","","","","1.173","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014862","16.39","0.001","15.5766","0.0009","17.534","0.002","90","","118.199","0.003","90","","3945.1","0.6","173.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(μ-pyridine-2-thiolato)-κ^4^S:N;N:S-bis[(pyridine-2-thiolato- κS)(2-pyridylphenyl-κ^2^N,C^2^)platinum(III)](Pt—Pt) acetonitrile solvate","","- C44 H35 N7 Pt2 S4 -","- C44 H35 N7 Pt2 S4 -","- C176 H140 N28 Pt8 S16 -","4","0.5","OB1216","Koshiyama, Tamami; Kato, Masako","Bis(μ-pyridine-2-thiolato)-κ^4^<i>S</i>:<i>N</i>;<i>N</i>:<i>S</i>-bis[(pyridine-2-thiolato-κ<i>S</i>)(2-pyridylphenyl-κ^2^<i>N</i>,<i>C</i>^2^)platinum(III)](<i>Pt{—</i>Pt}): the non-solvated and acetonitrile-solvated forms","Acta Crystallographica Section C","2005","61","4","m173","m176","10.1107/S0108270105004968","","","0.7107","MoKα","","","0.031","","","","0.074","","","","","","1.085","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014863","7.9319","0.0011","13.6577","0.0014","12.089","0.0012","90","","103.903","0.012","90","","1271.3","0.3","290","2","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-benzoylpyridinium betaine of squaric acid","2-(3-Benzoyl-1-pyridinio)-3,4-dioxocyclobutenolate","","- C16 H9 N O4 -","- C16 H9 N O4 -","- C64 H36 N4 O16 -","4","1","OB1218","Tsonko Kolev; Denitsa Yancheva; Boris Shivachev; Rosica Petrova; Michael Spiteller","2-(3-Benzoyl-1-pyridinio)-3,4-dioxocyclobutenolate","Acta Crystallographica Section C","2005","61","4","o213","o215","10.1107/S0108270105003069","","","0.71073","MoKα","","0.1423","0.0673","","","0.1832","0.2363","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014864","17.025","0.01","12.828","0.007","14.096","0.008","90","","110.075","0.006","90","","2891","3","150.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(μ-2,11-Dithia[3.3]paracyclophane-κ^2^S:S')bis[(2-carboxylatopyridine- 6-carboxylic acid-κ^2^N,O)silver(I)]","","- C30 H24 Ag2 N2 O8 S2 -","- C30 H24 Ag2 N2 O8 S2 -","- C120 H96 Ag8 N8 O32 S8 -","4","0.5","OB1220","Liu, Shu-Qin; Konaka, Hisashi; Kuroda-Sowa, Takayoshi; Ning, Gui-Ling; Munakata, Megumu","(μ-2,11-Dithia[3.3]paracyclophane-κ^2^<i>S</i>:<i>S</i>')bis[(6-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^6^)silver(I)]: a mixed-ligand silver-based dinuclear compound","Acta Crystallographica Section C","2005","61","4","m194","m196","10.1107/S0108270105006372","","","0.7107","MoKα","","","0.0263","","","","0.0597","","","","","","1.09","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014865","9.0307","0.0009","10.4375","0.0012","16.1471","0.0018","90","","90","","90","","1522","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[copper(II)-μ-L-tyrosyl-L-leucinato]","","- C15 H20 Cu N2 O4 -","- C15 H20 Cu N2 O4 -","- C60 H80 Cu4 N8 O16 -","4","1","OB1224","Ricardo Baggio; Nieves M. C. Casado; Rafael Calvo; Raul E. Rapp; María Teresa Garland","<i>catena</i>-Poly[copper(II)-μ-<small>L</small>-tyrosyl-<small>L</small>-leucinato]","Acta Crystallographica Section C","2005","61","5","m250","m252","10.1107/S010827010500987X","","","0.71073","MoKα","","0.09","0.048","","","0.094","0.111","","","","","","1.015","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014866","10.675","0.002","7.3502","0.0015","5.1968","0.0011","90","","103.877","0.003","90","","395.86","0.14","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","(1S*,2S*,4S*,5S*)Cyclohexane-1,2,4,5-tetrol monohydrate","","- C6 H14 O5 -","- C6 H14 O5 -","- C12 H28 O10 -","2","0.5","OB1226","Goverdhan Mehta; Saikat Sen; Siddharth Dey","(1<i>S</i>*,2<i>S</i>*,4<i>S</i>*,5<i>S</i>*)-Cyclohexane-1,2,4,5-tetrol monohydrate","Acta Crystallographica Section C","2005","61","6","o358","o360","10.1107/S0108270105011066","","","0.71073","MoKα","","0.0333","0.0331","","","0.082","0.0822","","","","","","1.168","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014867","23.5785","0.0005","12.1715","0.0003","7.6545","0.0002","90","","90","","90","","2196.73","0.09","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[bis(μ-salicylato-κ^2^O:O')(1,10-phenanthroline-κ^2^N,N')manganese(II)]","","- C26 H18 Mn N2 O6 -","- C26 H18 Mn N2 O6 -","- C104 H72 Mn4 N8 O24 -","4","0.5","OB1227","Jian-Rong Su; Duan-Jun Xu","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-di-μ-salicylato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","6","m256","m258","10.1107/S0108270105011078","","","0.71069","MoKα","","0.053","0.035","","","0.076","0.081","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014868","8.0366","0.001","8.8767","0.0011","14.3438","0.0017","94.121","0.002","95.416","0.002","115.946","0.002","908.67","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-(n-hexyl)-3-methyl-4-[1-(phenylimino)propyl]-2-pyrazol-5-olato}copper(II)","","- C38 H52 Cu N6 O2 -","- C38 H52 Cu N6 O2 -","- C38 H52 Cu N6 O2 -","1","0.5","OB1229","Fredy R. Pérez; Julio Belmar; Claudio Jiménez; Yanko Moreno; Patricio Hermosilla; Ricardo Baggio","Bis{1-<i>n</i>-hexyl-3-methyl-4-[1-(phenylimino)propyl]-1<i>H</i>-pyrazol-5-olato}copper(II): a new copper(II) complex with a chelating alkylpyrazolone-based enamine","Acta Crystallographica Section C","2005","61","6","m318","m320","10.1107/S0108270105014538","","","0.71073","MoKα","","0.1008","0.0661","","","0.1237","0.1386","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014869","9.405","0.002","10.683","0.002","14.211","0.002","94.02","0.01","100.62","0.02","111.21","0.01","1293.7","0.4","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","Sodium trans-cyano(trans-6,13-dimethyl-,1,4,8,11-tetraazacyclotetradecane- 6,13-diamine)cobalt triperchlorate","","- C13 H30 Cl3 Co N7 Na O12 -","- C13 H30 Cl3 Co N7 Na O12 -","- C26 H60 Cl6 Co2 N14 Na2 O24 -","2","1","RB1000","Paul V. Bernhardt; Nathan L. Kilah","Cyanocobalt(III) complexes of penta- and tetradentate-coordinated macrocyclic hexaamines","Acta Crystallographica Section C","2005","61","5","m245","m249","10.1107/S0108270105009261","","","0.71073","MoKα","","0.0689","0.0385","","","0.0968","0.1097","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014870","9.0697","0.0003","10.5362","0.0005","13.3674","0.0009","87.805","0.006","82.909","0.007","81.743","0.005","1254.21","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","trans-Dicyano(trans-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane- 6,13-diamine)cobalt(III) trans-dicyano(trans-6,13-dimethyl- 1,4,8,11-tetraazacyclotetradecane-6,13-diaminium)cobalt(III) tetraperchlorate tetrahydrate","","- C28 H70 Cl4 Co2 N16 O20 -","- C28 H70 Cl4 Co2 N16 O20 -","- C28 H70 Cl4 Co2 N16 O20 -","1","0.5","RB1000","Paul V. Bernhardt; Nathan L. Kilah","Cyanocobalt(III) complexes of penta- and tetradentate-coordinated macrocyclic hexaamines","Acta Crystallographica Section C","2005","61","5","m245","m249","10.1107/S0108270105009261","","","0.71073","MoKα","","0.0699","0.0593","","","0.1565","0.1657","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014871","7.4954","0.0004","16.3529","0.0008","16.9711","0.0008","93.024","0.002","96.132","0.002","90.623","0.002","2065.11","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Bis(4,4'-bipyridinium) hexacyanoplatinate(IV) bis(4,4'-bipyridine)","","- C46 H34 N14 Pt -","- C46 H34 N14 Pt -","- C92 H68 N28 Pt2 -","2","1","SF1000","Schlueter, John A.; Funk, Russell J.; Geiser, Urs","Bis(4,4'-bipyridinium) hexacyanoplatinate(IV) bis(4,4'-bipyridine)","Acta Crystallographica Section C","2005","61","6","m304","m306","10.1107/S0108270105010140","","","0.71073","MoKα","","0.0412","0.0276","","","0.0606","0.0651","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014872","23.685","0.005","14.183","0.002","25.264","0.008","90","","108.941","0.016","90","","8027","3","298","2","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Bis(di-2-pyridyl sulfide-κ^2^N,N')(4-methylpyrimidin-2-yl 2-pyridylmethyl sulfide-κ^2^N,S)ruthenium(II) bis(hexafluorophosphate) acetonitrile solvate","","- C33 H30 F12 N8 P2 Ru S3 -","- C33 H30 F12 N8 P2 Ru S3 -","- C264 H240 F96 N64 P16 Ru8 S24 -","8","1","SK1808","Bruno, Giuseppe; Rotondo, Archimede; Tresoldi, Giuseppe; Nicoló, Francesco; Lanza, Santo","Bis(di-2-pyridyl sulfide-κ^2^<i>N</i>,<i>N</i>')(4-methylpyrimidin-2-yl 2-pyridylmethyl sulfide-κ^2^<i>N</i>,<i>S</i>)ruthenium(II) bis(hexafluorophosphate) acetonitrile solvate","Acta Crystallographica Section C","2005","61","4","m169","m172","10.1107/S0108270105004634","","","0.71073","MoKα","","","0.0503","","","","0.1139","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014873","5.8015","0.0014","7.626","0.0019","20.661","0.005","90","","91.254","0.003","90","","913.9","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,3a-Dihydro-2H-cyclopenta[b]chromen-1-one","3,3a-dihydro-2H-cyclopenta[b]chromen-1-one","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","1","SK1811","Huo, Fang-Jun; Yin, Cai-Xia; Jin, Xiang-Lin; Yang, Pin","3,3a-Dihydrocyclopenta[<i>b</i>]chromen-1(2<i>H</i>)-ones from the reaction of salicylaldehyde and 2-cyclopenten-1-one","Acta Crystallographica Section C","2005","61","5","o332","o335","10.1107/S0108270105008528","","","0.71073","MoKα","","0.0538","0.0463","","","0.1202","0.1263","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014874","8.8978","0.0009","12.5893","0.0012","13.1797","0.0013","90","","102.157","0.002","90","","1443.2","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","5-Benzylidene-3,3a-Dihydro-2H-cyclopenta[b]chromen-1-one","2-(2-hydroxybenzylidene)-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","SK1811","Huo, Fang-Jun; Yin, Cai-Xia; Jin, Xiang-Lin; Yang, Pin","3,3a-Dihydrocyclopenta[<i>b</i>]chromen-1(2<i>H</i>)-ones from the reaction of salicylaldehyde and 2-cyclopenten-1-one","Acta Crystallographica Section C","2005","61","5","o332","o335","10.1107/S0108270105008528","","","0.71073","MoKα","","0.0701","0.0509","","","0.1231","0.1345","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014875","6.9964","0.0001","22.4244","0.0004","7.2085","0.0001","90","","93.091","0.0011","90","","1129.3","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-N-(2-nitrophenyl)nicotinamide","","- C12 H8 Cl N3 O3 -","- C12 H8 Cl N3 O3 -","- C48 H32 Cl4 N12 O12 -","4","1","SK1812","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures of three isomeric 2-chloro-<i>N</i>-(nitrophenyl)nicotinamides","Acta Crystallographica Section C","2005","61","4","o204","o208","10.1107/S0108270105003586","","","0.71073","MoKα","","0.0418","0.0381","","","0.1014","0.104","","","","","","1.193","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014876","7.5607","0.0004","7.6518","0.0003","12.6775","0.0005","81.177","0.003","84.367","0.002","61.172","0.002","634.69","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Chloro-N-(3-nitrophenyl)nicotinamide monohydrate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C24 H20 Cl2 N6 O8 -","2","1","SK1812","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures of three isomeric 2-chloro-<i>N</i>-(nitrophenyl)nicotinamides","Acta Crystallographica Section C","2005","61","4","o204","o208","10.1107/S0108270105003586","","","0.71073","MoKα","","0.057","0.0438","","","0.119","0.1285","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014877","7.2385","0.0002","24.5094","0.0006","13.5018","0.0004","90","","92.834","0.002","90","","2392.44","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-N-(4-nitrophenyl)nicotinamide","","- C12 H8 Cl N3 O3 -","- C12 H8 Cl N3 O3 -","- C96 H64 Cl8 N24 O24 -","8","2","SK1812","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures of three isomeric 2-chloro-<i>N</i>-(nitrophenyl)nicotinamides","Acta Crystallographica Section C","2005","61","4","o204","o208","10.1107/S0108270105003586","","","0.71073","MoKα","","0.1008","0.0514","","","0.1195","0.143","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014878","7.258","0.002","14.422","0.004","18.312","0.005","82.428","0.004","80.697","0.004","86.409","0.004","1873.4","0.9","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis[μ-5-sulfosalicylato(3-)]bis[(di-2-pyridylamine)copper(II)] bis[bis(di-2-pyridylamine)copper(I)] dihydrate","","- C74 H64 Cu4 N18 O14 S2 -","- C74 H64 Cu4 N18 O14 S2 -","- C74 H64 Cu4 N18 O14 S2 -","1","0.5","SK1813","Fan, Sai-Rong; Cai, Guo-Qiang; Zhu, Long-Guan; Xiao, Hong-Ping","A mixed-valence Cu^II^/Cu^I^ anion‒cation complex: bis[μ-5-sulfosalicylato(3‒)]bis[(di-2-pyridylamine)copper(II)] bis[bis(di-2-pyridylamine)copper(I)] dihydrate","Acta Crystallographica Section C","2005","61","4","m177","m179","10.1107/S0108270105004580","","","0.71073","MoKα","","0.0754","0.0692","","","0.1441","0.1475","","","","","","1.227","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014879","11.9288","0.0006","7.0604","0.0002","13.8337","0.0007","90","","90","","90","","1165.1","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Phenyl-4-nitrophthalimide","","- C14 H8 N2 O4 -","- C14 H8 N2 O4 -","- C56 H32 N8 O16 -","4","1","SK1814","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Chains of edge-fused hydrogen-bonded <i>R</i>~3~^3^(12) rings in <i>N</i>-phenyl-4-nitrophthalimide","Acta Crystallographica Section C","2005","61","4","o209","o210","10.1107/S0108270105004245","","","0.71073","MoKα","","0.0818","0.0677","","","0.1623","0.1705","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014880","10.5399","0.0007","11.2005","0.0007","13.495","0.0009","82.597","0.001","83.89","0.001","80.884","0.001","1553.85","0.18","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","8-chloro-9-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C18 H17 Cl F N O -","- C18 H17 Cl F N O -","- C72 H68 Cl4 F4 N4 O4 -","4","2","SK1815","K. Ravikumar; B.Sridhar; M. Mahesh; V. V. Narayana Reddy","Imino Diels‒Alder adducts. II. Two pyrano[3,2-<i>c</i>]quinolines","Acta Crystallographica Section C","2005","61","5","o267","o269","10.1107/S0108270105006542","","","0.71073","MoKα","","0.0634","0.0528","","","0.1231","0.1291","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014881","8.3032","0.0008","10.519","0.0011","18.1165","0.0018","104.234","0.002","92.309","0.002","91.783","0.002","1531.1","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","10-chloro-9-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C18 H17 Cl F N O -","- C18 H17 Cl F N O -","- C72 H68 Cl4 F4 N4 O4 -","4","2","SK1815","K. Ravikumar; B.Sridhar; M. Mahesh; V. V. Narayana Reddy","Imino Diels‒Alder adducts. II. Two pyrano[3,2-<i>c</i>]quinolines","Acta Crystallographica Section C","2005","61","5","o267","o269","10.1107/S0108270105006542","","","0.71073","MoKα","","0.079","0.0668","","","0.1588","0.1655","","","","","","1.161","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014882","14.1311","0.0003","14.1311","0.0003","20.2206","0.0006","90","","90","","90","","4037.81","0.17","160","1","160","1","","","","","","","","4","I -4 c 2","I -4 -2c","120","","exo-8-(trifluoromethyl)pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecan- endo-8-ol","","- C12 H13 F3 O -","- C12 H13 F3 O -","- C192 H208 F48 O16 -","16","1","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0743","0.0611","","","0.1626","0.1744","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014883","18.0861","0.0004","18.0861","0.0004","6.4388","0.0001","90","","90","","120","","1824","0.06","160","1","160","1","","","","","","","","3","P 31","P 31","144","","pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","","- C11 H10 O2 -","- C11 H10 O2 -","- C99 H90 O18 -","9","3","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0542","0.0428","","","0.0939","0.101","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014884","7.4499","0.0003","12.0228","0.0005","11.6047","0.0003","90","","108.082","0.002","90","","988.08","0.06","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(trifluoromethyl)-4- oxahexacyclo[5.4.1.0^2,6^.0^3,10^.0^5,9^.0^8,11^]dodecan-3-ol","","- C12 H11 F3 O2 -","- C12 H11 F3 O2 -","- C48 H44 F12 O8 -","4","1","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0676","0.0475","","","0.1167","0.1312","","","","","","1.044","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014885","8.8352","0.0002","9.3775","0.0003","12.6843","0.0005","100.268","0.0015","91.417","0.002","94.652","0.002","1029.86","0.06","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","N-phenyl-[exo-11-(trifluoromethyl)-endo-11- (trimethylsilyloxy)pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecan- 8-yliden]amine methanol solvate","","- C22 H28 F3 N O2 Si -","- C22 H28 F3 N O2 Si -","- C44 H56 F6 N2 O4 Si2 -","2","1","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0748","0.0516","","","0.1216","0.1356","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014886","8.3703","0.0002","8.25","0.0001","14.1375","0.0003","90","","101.019","0.001","90","","958.27","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-Nitrophenyl)succinimide","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C40 H32 N8 O16 -","4","1","SK1817","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric <i>N</i>-(nitrophenyl)succinimides: isolated molecules, hydrogen-bonded sheets and a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2005","61","4","o216","o220","10.1107/S0108270105004798","","","0.71073","MoKα","","0.0522","0.0427","","","0.1066","0.1144","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014887","6.6318","0.0002","7.0944","0.0003","10.426","0.0005","90","","108.234","0.002","90","","465.9","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(3-Nitrophenyl)succinimide","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C20 H16 N4 O8 -","2","1","SK1817","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric <i>N</i>-(nitrophenyl)succinimides: isolated molecules, hydrogen-bonded sheets and a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2005","61","4","o216","o220","10.1107/S0108270105004798","","","0.71073","MoKα","","0.0348","0.0305","","","0.0748","0.0778","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014888","10.3731","0.0019","11.59","0.002","7.9761","0.0018","90","","108.135","0.016","90","","911.3","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(4-Nitrophenyl)phthalimide","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C40 H32 N8 O16 -","4","0.5","SK1817","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric <i>N</i>-(nitrophenyl)succinimides: isolated molecules, hydrogen-bonded sheets and a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2005","61","4","o216","o220","10.1107/S0108270105004798","","","0.71073","MoKα","","0.1057","0.0578","","","0.1456","0.1666","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014889","22.878","0.003","4.7657","0.0005","16.789","0.002","90","","116.759","0.009","90","","1634.5","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","0.5","SK1818","Vijay Mahadevan Iyer; Helen Stoeckli-Evans; Anthony D'Aléo; Luisa De Cola; Peter Belser","Packing effects in 4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine and 4,4'-bis(4-bromobutyl)-2,2'-bipyridine","Acta Crystallographica Section C","2005","61","4","o259","o261","10.1107/S0108270105006438","","","0.71073","MoKα","","0.0556","0.0413","","","0.1115","0.118","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014890","8.3566","0.0012","14.246","0.002","14.779","0.002","90","","90","","90","","1759.4","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-bis(4-bromobutyl)-2,2'-bipyridine","","- C18 H22 Br2 N2 -","- C18 H22 Br2 N2 -","- C72 H88 Br8 N8 -","4","0.5","SK1818","Vijay Mahadevan Iyer; Helen Stoeckli-Evans; Anthony D'Aléo; Luisa De Cola; Peter Belser","Packing effects in 4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine and 4,4'-bis(4-bromobutyl)-2,2'-bipyridine","Acta Crystallographica Section C","2005","61","4","o259","o261","10.1107/S0108270105006438","","","0.71073","MoKα","","0.0609","0.0369","","","0.0827","0.0907","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014891","16.0068","0.001","7.8616","0.0005","13.5718","0.0009","90","","113.377","0.001","90","","1567.67","0.17","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodoanilinium 2-carboxy-6-nitrobenzoate","","- C14 H11 I N2 O6 -","- C14 H11 I N2 O6 -","- C56 H44 I4 N8 O24 -","4","1","SK1819","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","3-Iodoanilinium 2-carboxy-6-nitrobenzoate: a three-dimensional framework built from O—H···O and N—H···O hydrogen bonds and a two-centre iodo‒nitro interaction","Acta Crystallographica Section C","2005","61","4","o246","o248","10.1107/S0108270105006013","","","0.71073","MoKα","","0.0779","0.0432","","","0.1022","0.1134","","","","","","0.948","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014892","24.0634","0.0001","7.3465","0.0001","22.4459","0.0003","90","","114.332","0.001","90","","3615.56","0.08","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","threo-2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane- 1,3-diol","","- C19 H24 O8 -","- C19 H24 O8 -","- C152 H192 O64 -","8","1","SK1820","Lundquist, Knut; Li, Shi-Ming; Langer, Vratislav","<i>threo</i>-2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol: a conformational study","Acta Crystallographica Section C","2005","61","4","o256","o258","10.1107/S0108270105006359","","","0.71073","MoKα","","0.0656","0.0499","","","0.1351","0.1458","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014893","12.154","0.0002","11.2982","0.0003","13.2965","0.0003","90","","93.346","0.0016","90","","1822.74","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chloro-bis[chloro(triphenylphosphine)mercury(II)]","","- C36 H30 Cl4 Hg2 P2 -","- C36 H30 Cl4 Hg2 P2 -","- C72 H60 Cl8 Hg4 P4 -","2","0.5","SK1821","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Di-μ-halogeno-bis[halogeno(triphenylphosphine)mercury(II)], [Ph~3~PHg<i>X</i>(μ-<i>X</i>)~2~<i>X</i>HgPPh~3~], reinvestigated at 120K for <i>X</i> = Cl and Br, and a second polymorph for <i>X</i> = I, also at 120 K","Acta Crystallographica Section C","2005","61","4","m211","m214","10.1107/S0108270105006323","","","0.71073","MoKα","","0.0329","0.024","","","0.0459","0.0482","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014894","11.4078","0.0002","12.498","0.0004","13.9124","0.0004","90","","96.327","0.0017","90","","1971.47","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chloro-bis[iodo(triphenylphosphine)mercury(II)]","","- C36 H30 Hg2 I4 P2 -","- C36 H30 Hg2 I4 P2 -","- C72 H60 Hg4 I8 P4 -","2","0.5","SK1821","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Di-μ-halogeno-bis[halogeno(triphenylphosphine)mercury(II)], [Ph~3~PHg<i>X</i>(μ-<i>X</i>)~2~<i>X</i>HgPPh~3~], reinvestigated at 120K for <i>X</i> = Cl and Br, and a second polymorph for <i>X</i> = I, also at 120 K","Acta Crystallographica Section C","2005","61","4","m211","m214","10.1107/S0108270105006323","","","0.71073","MoKα","","0.0323","0.025","","","0.0533","0.0552","","","","","","1.163","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014895","12.8131","0.001","7.5521","0.0006","28.114","0.002","90","","98.13","0.03","90","","2693.1","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Anilinium 2-carboxy-4-nitrobenzoate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C112 H96 N16 O48 -","8","1","SK1823","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-<i>X</i>-C~6~H~4~NH~3~^+^·C~8~H~4~NO~6~^{-^} (<i>X</i> = H, Cl, Br and I)","Acta Crystallographica Section C","2005","61","5","o276","o280","10.1107/S0108270105007286","","","0.71073","MoKα","","0.1529","0.0767","","","0.1773","0.2096","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014896","12.7725","0.0016","7.5825","0.0007","29.595","0.003","90","","97.202","0.005","90","","2843.6","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Chloroanilinium 2-carboxy-4-nitrobenzoate","","- C14 H11 Cl N2 O6 -","- C14 H11 Cl N2 O6 -","- C112 H88 Cl8 N16 O48 -","8","1","SK1823","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-<i>X</i>-C~6~H~4~NH~3~^+^·C~8~H~4~NO~6~^{-^} (<i>X</i> = H, Cl, Br and I)","Acta Crystallographica Section C","2005","61","5","o276","o280","10.1107/S0108270105007286","","","0.71073","MoKα","","0.0909","0.0719","","","0.1781","0.19","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014897","12.8292","0.0006","7.575","0.0003","29.8202","0.0013","90","","97.027","0.0011","90","","2876.2","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Bromoanilinium 2-carboxy-4-nitrobenzoate","","- C14 H11 Br N2 O6 -","- C14 H11 Br N2 O6 -","- C112 H88 Br8 N16 O48 -","8","1","SK1823","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-<i>X</i>-C~6~H~4~NH~3~^+^·C~8~H~4~NO~6~^{-^} (<i>X</i> = H, Cl, Br and I)","Acta Crystallographica Section C","2005","61","5","o276","o280","10.1107/S0108270105007286","","","0.71073","MoKα","","0.0495","0.0428","","","0.1095","0.1135","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014898","12.9459","0.0003","7.5576","0.0001","30.179","0.0006","90","","96.784","0.001","90","","2932.04","0.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Iodoanilinium 2-carboxy-4-nitrobenzoate","","- C14 H11 I N2 O6 -","- C14 H11 I N2 O6 -","- C112 H88 I8 N16 O48 -","8","1","SK1823","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-<i>X</i>-C~6~H~4~NH~3~^+^·C~8~H~4~NO~6~^{-^} (<i>X</i> = H, Cl, Br and I)","Acta Crystallographica Section C","2005","61","5","o276","o280","10.1107/S0108270105007286","","","0.71073","MoKα","","0.051","0.0394","","","0.1284","0.1599","","","","","","1.131","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014899","11.3221","0.0009","7.7824","0.0004","12.6314","0.0011","90","","116.535","0.006","90","","995.75","0.14","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[diaquabis(pyridine-4-carboxamide-κN)copper(II)]-μ~2~-squarato- κO^1^:O^3^] dihydrate]","","- C16 H20 Cu N4 O10 -","- C16 H20 Cu N4 O10 -","- C32 H40 Cu2 N8 O20 -","2","0.5","SK1824","Uçar, İbrahim; Bulut, Ahmet; Büyükgüngör, Orhan","<i>catena</i>-Poly[[[diaquabis(pyridine-4-carboxamide-κ<i>N</i>)copper(II)]-μ~2~-squarato-κ<i>O</i>^1^:<i>O</i>^3^] dihydrate]","Acta Crystallographica Section C","2005","61","5","m218","m220","10.1107/S0108270105008164","","","0.71073","MoKα","","0.0428","0.0273","","","0.059","0.0611","","","","","","0.89","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014900","3.7852","0.0012","6.9366","0.0009","8.501","0.003","90","0.02","90","","90","","223.21","0.11","17.5","","17.5","","","","","","","","","3","P 21/m 1 1","P -2x 2xabv","","Titanium(III)-oxybromide","titanium(III) oxybromide","","- Br O Ti -","- Br O Ti -","- Br4 O4 Ti4 -","4","1","SK1825","Palatinus, Lukáš; Schönleber, Andreas; van Smaalen, Sander","The twofold superstructure of titanium(III) oxybromide at <i>T</i> = 17.5 K","Acta Crystallographica Section C","2005","61","5","i47","i48","10.1107/S010827010500867X","","","0.5","synchrotron","","0.0233","0.0182","","","0.0268","0.0287","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014901","7.5404","0.0002","6.5754","0.0002","31.4285","0.001","90","","94.6675","0.0015","90","","1553.09","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[[N-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin- 2-yl)-(S)-glutamato]hexaaquabarium]-μ-N-(4-amino-1,6-dihydro-1-methyl-5- nitroso-6-oxopyrimidin-2-yl)-(S)-glutamato]","","- C20 H36 Ba N10 O18 -","- C20 H36 Ba N10 O18 -","- C40 H72 Ba2 N20 O36 -","2","1","SK1826","López Garzón, Rafael; López León, M. Dolores; Low, John N.; Glidewell, Christopher","<i>catena</i>-Poly[[[<i>N</i>-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)-(<i>S</i>)-glutamato]hexaaquabarium]-μ-<i>N</i>-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)-(<i>S</i>)-glutamato]: coordination polymer chains linked into a three-dimensional framework by N—H···O and O—H···O hydrogen bonds","Acta Crystallographica Section C","2005","61","5","m224","m227","10.1107/S0108270105008474","","","0.71073","MoKα","","0.0629","0.0417","","","0.0757","0.0826","","","","","","0.999","","","","has coordinates,has Fobs","189185","2020-10-21","18:00:00",""
"2014902","10.222","0.0009","11.0636","0.001","20.9787","0.0018","90","","96.728","0.001","90","","2356.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","butobarbitone","5-butyl-5-ethylbarbituric acid","","- C10 H16 N2 O3 -","- C10 H16 N2 O3 -","- C80 H128 N16 O24 -","8","2","SK1827","Nichol, Gary S.; Clegg, William","5-Butyl-5-ethylbarbituric acid: a phase transition at low temperature","Acta Crystallographica Section C","2005","61","5","o297","o299","10.1107/S0108270105008486","","","0.6933","synchrotron","","0.0703","0.0616","","","0.1661","0.1752","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014903","6.1293","0.0003","13.9633","0.0008","13.2727","0.0008","90","","97.688","0.004","90","","1125.74","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-benzylidene-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.095","0.0691","","","0.1835","0.2008","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014904","5.6946","0.0002","8.2994","0.0003","14.0411","0.0005","73.558","0.0017","87.393","0.002","77.037","0.002","620.13","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-(3-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.0554","0.0397","","","0.1089","0.1318","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014905","7.5906","0.0006","8.2989","0.0007","10.301","0.001","92.544","0.006","93.074","0.005","104.456","0.006","626.33","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-(4-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.0648","0.0461","","","0.1248","0.136","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014906","8.6187","0.0002","8.8451","0.0003","9.0566","0.0003","82.298","0.0018","84.465","0.002","82.365","0.002","675.94","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-[4-(dimethylamino)benzylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C30 H34 N6 O6 -","2","1","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.0456","0.0393","","","0.1041","0.1084","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014907","9.604","0.0003","11.6691","0.0004","17.2905","0.0006","97.486","0.0016","92.554","0.0018","90.006","0.002","1919.29","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-[3,5-di-tert-butyl-4-hydroxybenzylidene]-1,3-dimethylpyrimidine- 2,4,6(1H,3H,5H)-trione","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","2","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.1099","0.0702","","","0.1604","0.1789","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014908","15.3033","0.0008","3.7952","0.0003","23.3097","0.0016","90","","97.836","0.004","90","","1341.16","0.16","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Iodophenyl)-4-(2-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 I1.118 N2.882 O1.764 -","- C14 H10 I1.118 N2.882 O1.764 -","- C56 H40 I4.472 N11.528 O7.056 -","4","0.5","SK1830","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of three isomeric (<i>E</i>,<i>E</i>)-1-(2-iodophenyl)-4-(nitrophenyl)-2,3-diaza-1,3-butadienes: changes in intermolecular interactions consequent upon changes of substituent location","Acta Crystallographica Section C","2005","61","5","o312","o316","10.1107/S0108270105009248","","","0.71073","MoKα","","0.0658","0.0464","","","0.0913","0.0997","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014909","7.2969","0.0003","7.3235","0.0003","13.7939","0.0006","97.405","0.002","100.41","0.002","107.59","0.003","677.73","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Iodophenyl)-4-(3-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 I N3 O2 -","- C14 H10 I N3 O2 -","- C28 H20 I2 N6 O4 -","2","1","SK1830","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of three isomeric (<i>E</i>,<i>E</i>)-1-(2-iodophenyl)-4-(nitrophenyl)-2,3-diaza-1,3-butadienes: changes in intermolecular interactions consequent upon changes of substituent location","Acta Crystallographica Section C","2005","61","5","o312","o316","10.1107/S0108270105009248","","","0.71073","MoKα","","0.0267","0.0225","","","0.0613","0.0846","","","","","","1.28","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014910","27.947","0.0011","8.0563","0.0003","13.7464","0.0005","90","","117.425","0.001","90","","2747.16","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Iodophenyl)-4-(4-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 I N3 O2 -","- C14 H10 I N3 O2 -","- C112 H80 I8 N24 O16 -","8","1","SK1830","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of three isomeric (<i>E</i>,<i>E</i>)-1-(2-iodophenyl)-4-(nitrophenyl)-2,3-diaza-1,3-butadienes: changes in intermolecular interactions consequent upon changes of substituent location","Acta Crystallographica Section C","2005","61","5","o312","o316","10.1107/S0108270105009248","","","0.71073","MoKα","","0.0445","0.0297","","","0.0737","0.0788","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014911","3.8052","0.0003","17.9667","0.0013","12.0417","0.0009","90","","93.224","0.002","90","","821.95","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-bromo-6-chloro-4-nitroaniline","","- C6 H4 Br0.9 Cl1.1 N2 O2 -","- C6 H4 Br0.9 Cl1.1 N2 O2 -","- C24 H16 Br3.6 Cl4.4 N8 O8 -","4","1","SK1832","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: simple <i>C</i>(8) chains in 2-bromo-6-chloro-4-nitroaniline","Acta Crystallographica Section C","2005","61","5","o336","o338","10.1107/S0108270105010085","","","0.71073","MoKα","","0.0657","0.0396","","","0.0813","0.0871","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014912","7.3074","0.0009","22.968","0.003","7.8343","0.0009","90","","91.972","0.01","90","","1314.1","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2',4'-Dihydroxy-3-methoxy-α,β-dihydrochalcone","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","SK1835","Marek, Jaromír; Lunerová, Kamila; Tou<sek, Jaromír; Suchý, Václav; Marek, Radek","2',4'-Dihydroxy-3-methoxy-α,β-dihydrochalcone and 2',4-dihydroxy-α,β-dihydrochalcone: supramolecular structures formed by O—H···O, C—H···O and stacking interactions","Acta Crystallographica Section C","2005","61","6","o386","o389","10.1107/S0108270105013661","","","0.71073","MoKα","","0.0589","0.0399","","","0.0822","0.0909","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014913","12.2802","0.0017","9.4904","0.001","11.5764","0.0015","90","","116.637","0.016","90","","1206","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2',4-dihydroxy-α,β-dihydrochalcone","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","SK1835","Marek, Jaromír; Lunerová, Kamila; Tou<sek, Jaromír; Suchý, Václav; Marek, Radek","2',4'-Dihydroxy-3-methoxy-α,β-dihydrochalcone and 2',4-dihydroxy-α,β-dihydrochalcone: supramolecular structures formed by O—H···O, C—H···O and stacking interactions","Acta Crystallographica Section C","2005","61","6","o386","o389","10.1107/S0108270105013661","","","0.71073","MoKα","","0.0425","0.0323","","","0.0789","0.0837","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014914","11.93","0.002","11.931","0.003","11.225","0.002","90","","90","","90","","1597.7","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","catena-Poly[[[N,N'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido]","catena-poly[[[2,2'-[1,3- propanediylbis(nitrilomethylidyne)]diphenolato]cobalt(III)]-μ-azido]","","- C17 H16 Co N5 O2 -","- C17 H16 Co N5 O2 -","- C68 H64 Co4 N20 O8 -","4","1","SK1836","You, Zhong-Lu","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido] and <i>catena</i>-poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","6","m295","m297","10.1107/S0108270105012497","","","0.71073","MoKα","","0.0535","0.0487","","","0.1266","0.1304","","","","","","1.065","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014915","12.566","0.007","11.679","0.007","11.515","0.007","90","","90","","90","","1689.9","1.7","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","catena-poly[[[N,N'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ- thiocyanato]","catena-poly[[[2,2'-[1,3- propanediylbis(nitrilomethylidyne)]diphenolato]cobalt(III)]-μ-thiocyanato]","","- C18 H16 Co N3 O2 S -","- C18 H16 Co N3 O2 S -","- C72 H64 Co4 N12 O8 S4 -","4","1","SK1836","You, Zhong-Lu","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido] and <i>catena</i>-poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","6","m295","m297","10.1107/S0108270105012497","","","0.71073","MoKα","","0.0695","0.0539","","","0.1208","0.1286","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014916","7.6223","0.0002","16.7937","0.0007","24.49","0.0009","90","","90","","90","","3134.88","0.19","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline","","- C21 H17 N3 -","- C21 H17 N3 -","- C168 H136 N24 -","8","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0857","0.0491","","","0.107","0.1209","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014917","7.2767","0.0013","29.924","0.006","8.0463","0.0012","90","","112.59","0.006","90","","1617.6","0.5","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-methyl-2-(4-methylphenyl)-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0912","0.0782","","","0.2316","0.2479","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014918","8.1092","0.0001","11.7265","0.0002","16.3486","0.0003","90","","90.901","0.0012","90","","1554.44","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methyl-10-phenyl-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline","","- C21 H17 N3 -","- C21 H17 N3 -","- C84 H68 N12 -","4","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0458","0.0387","","","0.0968","0.1019","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014919","7.9037","0.0007","13.1038","0.001","16.0576","0.0013","90","","99.199","0.006","90","","1641.7","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methyl-10-(4-methylphenyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0516","0.0447","","","0.1181","0.1244","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014920","7.381","0.0002","10.8016","0.0003","22.1319","0.0005","90","","90","","90","","1764.5","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-4-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C88 H76 N12 O8 -","4","1","SK1842","Torres, Harlen; Braulio Insuasty; Cobo, Justo; Low, John N.; Glidewell, Christopher","1-Benzyl-4-(4-nitrophenyl)-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine: a three-dimensional framework structure generated by two C—H···O hydrogen bonds and one C—H···π(arene) hydrogen bond","Acta Crystallographica Section C","2005","61","6","o404","o407","10.1107/S010827010501379X","","","0.71073","MoKα","","0.0485","0.0438","","","0.1036","0.1065","","","","","","1.159","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014921","12.7985","0.001","4.0684","0.0003","16.6766","0.0014","90","","95.918","0.004","90","","863.71","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)propenone","","- C20 H17 Cl N2 O2 -","- C20 H17 Cl N2 O2 -","- C40 H34 Cl2 N4 O4 -","2","1","SK1844","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 3-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-methoxyphenyl)propenone and 3-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(3,4,5-trimethoxyphenyl)propenone","Acta Crystallographica Section C","2005","61","6","o414","o416","10.1107/S0108270105014435","","","0.71073","MoKα","","0.0839","0.0517","","","0.1119","0.1247","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014922","7.5118","0.0002","8.8121","0.0003","15.6709","0.0004","81.825","0.001","82.75","0.002","79.459","0.002","1004.1","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(3,4,5- trimethoxyphenyl)propenone","","- C22 H21 Cl N2 O4 -","- C22 H21 Cl N2 O4 -","- C44 H42 Cl2 N4 O8 -","2","1","SK1844","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 3-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-methoxyphenyl)propenone and 3-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(3,4,5-trimethoxyphenyl)propenone","Acta Crystallographica Section C","2005","61","6","o414","o416","10.1107/S0108270105014435","","","0.71073","MoKα","","0.0392","0.0328","","","0.0844","0.0879","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014923","6.3199","0.0006","7.3333","0.0009","40.438","0.007","90","","93.571","0.012","90","","1870.5","0.4","157","2","157","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-4-bromo-N-(pent-2-enyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide","","- C20 H20 Br N O2 S -","- C20 H20 Br N O2 S -","- C80 H80 Br4 N4 O8 S4 -","4","1","SQ1187","Bats, Jan W.; Haufe, Patrick; Hashmi, A. Stephen K.","Polymorphism of (<i>Z</i>)-4-bromo-<i>N</i>-(pent-2-enyl)-<i>N</i>-(3-phenylprop-2-ynyl)benzenesulfonamide","Acta Crystallographica Section C","2005","61","5","o288","o290","10.1107/S0108270105008176","","","0.71073","MoKα","","0.0806","0.0584","","","0.0937","0.101","","","","","","1.185","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014924","7.3219","0.0018","6.3291","0.0017","40.535","0.017","90","","93.419","0.012","90","","1875.1","1","156","2","156","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-4-bromo-N-(2-pentenyl)-N-(3-phenyl-2-propynyl)benzenesulfonamide","","- C20 H20 Br N O2 S -","- C20 H20 Br N O2 S -","- C80 H80 Br4 N4 O8 S4 -","4","1","SQ1187","Bats, Jan W.; Haufe, Patrick; Hashmi, A. Stephen K.","Polymorphism of (<i>Z</i>)-4-bromo-<i>N</i>-(pent-2-enyl)-<i>N</i>-(3-phenylprop-2-ynyl)benzenesulfonamide","Acta Crystallographica Section C","2005","61","5","o288","o290","10.1107/S0108270105008176","","","0.71073","MoKα","","0.1242","0.0866","","","0.1552","0.1707","","","","","","1.189","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014925","9.841","0.002","15.249","0.003","15.234","0.003","104.17","0.02","96.65","0.02","96.86","0.02","2175.5","0.8","304","2","304","2","","","","","","","","5","P -1","-P 1","2","","bis(N-nitrocyanamidato-κN)tetrakis(1H-imidazole-κN^3^)copper(II)","","- C14 H16 Cu N14 O4 -","- C14 H16 Cu N14 O4 -","- C56 H64 Cu4 N56 O16 -","4","2","SQ1193","Díaz, Jesús García,; Kožíšek, Jozef; Fronc, Marek; Gatial, Anton; Svoboda, Ingrid; Langer, Vratislav","Pseudo-merohedrally twinned tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(<i>N</i>-nitrocyanamidato-κ<i>N</i>)copper(II)","Acta Crystallographica Section C","2005","61","4","m180","m182","10.1107/S0108270105004956","","","0.71073","MoKα","","0.0419","0.0376","","","0.0851","0.0883","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014926","13.3237","0.0002","4.0455","0.0004","21.484","0.003","90","","92.9","0.01","90","","1156.5","0.2","297","2","297","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Silver bismuth sulfide (3.5/7.5/13)","","- Ag3.5 Bi7.5 S13 -","- Ag3.5 Bi7.5002 S13 -","- Ag7 Bi15.0004 S26 -","2","0.25","SQ1196","Poudeu Poudeu, Pierre F.; Ruck, Michael","Ag~3.5~Bi~7.5~S~13~, a new member (<i>N</i>=8) of the homologous series [Bi~2~S~3~]~2~·[AgBiS~2~]~(<i>N~{-</i>1)/2}","Acta Crystallographica Section C","2005","61","5","i41","i43","10.1107/S0108270105007493","","","0.71073","MoKα","","0.0576","0.0435","","","0.0979","0.1044","","","","","","1.069","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014927","6.075","0.0011","11.6306","0.0015","14.484","0.002","90","","90","","90","","1023.4","0.3","120","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Hydroxybenzylideneaniline","2-(phenyliminomethyl)phenol","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","SQ1198","Arod, Frédéric; Gardon, Manuel; Pattison, Philip; Chapuis, Gervais","The α~2~-polymorph of salicylideneaniline","Acta Crystallographica Section C","2005","61","5","o317","o320","10.1107/S010827010500911X","","","0.71073","MoKα","","0.0548","0.0412","","","0.0952","0.1008","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014928","6.1555","0.0002","12.399","0.0002","13.3019","0.0002","90","","90","","90","","1015.23","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aR,8aR)-4a-Methoxy-3-methyleneperhydrochromen-2-one","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","SQ1200","Wojciechowski, Jakub; Krawczyk, Henryk; Śliwiński, Marcin; Wolf, Wojciech M.","X-ray investigations of bicyclic α-methylene-δ-valerolactones. III. <i>trans</i>-(4a<i>R</i>,8a<i>R</i>)-4a-Methoxy-3-methyleneperhydrochromen-2-one","Acta Crystallographica Section C","2005","61","6","o351","o353","10.1107/S0108270105010607","","","1.54178","CuKα","","0.0299","0.0295","","","0.0794","0.0799","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014929","9.78393","0.00002","9.78393","0.00002","19.01318","0.00003","90","","90","","90","","1820.04","0.006","298","","298","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","Strontium borophosphate","","- B O20 P5 Sr6 -","- B O20 P5 Sr6 -","- B4 O80 P20 Sr24 -","4","0.25","SQ1203","Namsoo Shin; Jinyoung Kim; Docheon Ahn; Kee-Sun Sohn","A new strontium borophosphate, Sr~6~BP~5~O~20~, from synchrotron powder data","Acta Crystallographica Section C","2005","61","5","i54","i56","10.1107/S0108270105009819","","","1.5452","synchrotron","","","","","","","","","","2.21","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014930","18.4801","0.0005","13.5715","0.0004","6.6904","0.0002","90","","108.364","0.001","90","","1592.52","0.08","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","barium chlorite hydrate","Barium chlorite hydrate","","- Ba Cl2 H7 O7.5 -","- Ba Cl2 H7 O7.5 -","- Ba8 Cl16 H56 O60 -","8","1","SQ1204","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Barium chlorite hydrate, Ba(ClO~2~)~2~·3.5H~2~O","Acta Crystallographica Section C","2005","61","5","i49","i50","10.1107/S010827010500925X","","","0.71073","MoKα","","0.0262","0.0197","","","0.0495","0.051","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014931","13.5669","0.0012","14.0474","0.0012","15.4195","0.0014","84.568","0.002","66.5","0.001","67.199","0.001","2478.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","acetato(3,5-diphenylpyrazole)[tris(3,5-diphenylpyrazolyl)borato]cobalt(II)","","- C62 H49 B Co N8 O2 -","- C62 H49 B Co N8 O2 -","- C124 H98 B2 Co2 N16 O4 -","2","1","SQ1208","Harding, David J.; Adams, Harry; Tuntulani, Thawatchai","B—N bond cleavage by cobalt(II) in acetato(3,5-diphenylpyrazole)[tris(3,5-diphenylpyrazolyl)borato]cobalt(II)","Acta Crystallographica Section C","2005","61","6","m301","m303","10.1107/S0108270105014277","","","0.71073","MoKα","","0.0727","0.0435","","","0.0938","0.1046","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014932","8.75","0.002","11.566","0.003","14.383","0.004","98.54","0.004","104.135","0.004","99.119","0.004","1366.8","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1λ^4^,4λ^4^,8λ^4^,11λ^4^-Tetrathiacyclotetradecane-1,4,7,10- tetraylidenetetraaminium tetrakis(2,4,6-trimethylbenzenesulfonate)","","- C46 H72 N4 O12 S8 -","- C46 H72 N4 O12 S8 -","- C46 H72 N4 O12 S8 -","1","0.5","SQ1209","Dale, Sophie H.; Elsegood, Mark R. J.; Gilby, Liam M.; Holmes, Kathryn E.; Kelly, Paul F.","1λ^4^,4λ^4^,8λ^4^,11λ^4^-Tetrathiacyclotetradecane-1,4,7,10-tetraylidenetetraaminium tetrakis(2,4,6-trimethylbenzenesulfonate)","Acta Crystallographica Section C","2005","61","6","o411","o413","10.1107/S010827010501437X","","","0.71073","MoKα","","0.1941","0.077","","","0.1739","0.2325","","","","","","1.006","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014933","6.842","0.003","8.026","0.002","14.215","0.003","73.99","0.02","82.82","0.03","86.17","0.03","744","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","propomt","(E,E)-2,5-Dipropoxy-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]benzene","","- C34 H42 O8 -","- C34 H42 O8 -","- C34 H42 O8 -","1","0.5","SX1163","Vande Velde, Christophe M.L.; Baeke, Jan K.; Geise, Herman J.; Blockhuys, Frank","(<i>E</i>,<i>E</i>)-2,5-Dipropoxy-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]benzene","Acta Crystallographica Section C","2005","61","5","o284","o287","10.1107/S0108270105007778","","","0.71073","MoKα","","0.2201","0.0869","","","0.2136","0.2721","","","","","","0.999","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014934","13.714","0.003","10.456","0.004","20.781","0.003","90","","101.365","0.005","90","","2921.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-Cinnamoylsaccharin","2-cinnamoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C16 H11 N O4 S -","- C16 H11 N O4 S -","- C128 H88 N8 O32 S8 -","8","1","SX1166","Ersanlı, Cem Cüneyt; Odabas̨oǧlu, Mustafa; Sarı, Uǧur; Erdönmez, Ahmet","<i>N</i>-Cinnamoylsaccharin","Acta Crystallographica Section C","2005","61","4","o243","o245","10.1107/S0108270105005160","","","0.71069","MoKα","","0.058","0.045","","","0.127","0.138","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014935","4.7695","0.0002","16.1323","0.0005","8.6789","0.0003","90","","103.636","0.001","90","","648.96","0.04","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-serine trihydrate","2-(2-ammonio-3-methylbutanamido)-3-hydroxypropanoate trihydrate","","- C8 H22 N2 O7 -","- C8 H22 N2 O7 -","- C16 H44 N4 O14 -","2","1","SX1167","Johansen, Arne; Midtkandal, Randi; Roggen, Heidi; Görbitz, Carl Henrik","<small>L</small>-Valyl-<small>L</small>-serine trihydrate","Acta Crystallographica Section C","2005","61","4","o198","o200","10.1107/S0108270105003732","","","0.71073","MoKα","","0.0351","0.0312","","","0.0807","0.083","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014936","7.3244","0.0004","8.7417","0.0005","20.0952","0.0012","90","","90","","90","","1286.65","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Strontium D-glutamate hexahydrate","Strontium D-glutamate hexahydrate","","- C5 H19 N O10 Sr -","- C5 H19 N O10 Sr -","- C20 H76 N4 O40 Sr4 -","4","1","SX1171","Stephan Christgau; Jette Odderhede; Kenny Stahl; Jens E. T. Andersen","Strontium <small>D</small>-glutamate hexahydrate and strontium di(hydrogen <small>L</small>-glutamate) pentahydrate","Acta Crystallographica Section C","2005","61","6","m259","m262","10.1107/S0108270105011820","","","0.71073","MoKα","","0.0325","0.0277","","","0.0497","0.0507","","","","","","0.886","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014937","8.7097","0.0005","7.245","0.0004","14.5854","0.0008","90","","100.521","0.001","90","","904.89","0.09","117","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","Strontium di(hydrogen-L-glutamate) pentahydrate","Strontium di(hydrogen-L-glutamate) pentahydrate","","- C10 H26 N2 O13 Sr -","- C10 H26 N2 O13 Sr -","- C20 H52 N4 O26 Sr2 -","2","1","SX1171","Stephan Christgau; Jette Odderhede; Kenny Stahl; Jens E. T. Andersen","Strontium <small>D</small>-glutamate hexahydrate and strontium di(hydrogen <small>L</small>-glutamate) pentahydrate","Acta Crystallographica Section C","2005","61","6","m259","m262","10.1107/S0108270105011820","","","0.71073","MoKα","","0.029","0.0256","","","0.0528","0.0536","","","","","","0.794","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014938","14.4024","0.0019","4.8171","0.0004","17.84","0.002","90","","91.51","0.011","90","","1237.3","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Bis(4-methylphenyl)triazene","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","TA1464","Karadayı, Nevzat; C̨akmak, S̨ükriye; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","1,3-Bis(4-methylphenyl)triazene, 1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene and 1-(4-fluorophenyl)-3-(4-methylphenyl)triazene","Acta Crystallographica Section C","2005","61","5","o303","o305","10.1107/S0108270105004373","","","0.71073","MoKα","","0.0671","0.033","","","0.0633","0.0655","","","","","","0.988","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014939","14.5","0.003","4.7385","0.0005","17.848","0.003","90","","92.298","0.016","90","","1225.3","0.4","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene","","- C12 H9 Cl F N3 -","- C12 H9 Cl F N3 -","- C48 H36 Cl4 F4 N12 -","4","1","TA1464","Karadayı, Nevzat; C̨akmak, S̨ükriye; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","1,3-Bis(4-methylphenyl)triazene, 1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene and 1-(4-fluorophenyl)-3-(4-methylphenyl)triazene","Acta Crystallographica Section C","2005","61","5","o303","o305","10.1107/S0108270105004373","","","0.71073","MoKα","","0.1704","0.0867","","","0.2182","0.2534","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014940","13.683","0.003","4.7712","0.0006","17.742","0.004","90","","92.512","0.018","90","","1157.2","0.4","296","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-fluorophenyl)-3-(4-methylphenyl)triazene","","- C13 H12 F N3 -","- C13 H12 F N3 -","- C52 H48 F4 N12 -","4","1","TA1464","Karadayı, Nevzat; C̨akmak, S̨ükriye; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","1,3-Bis(4-methylphenyl)triazene, 1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene and 1-(4-fluorophenyl)-3-(4-methylphenyl)triazene","Acta Crystallographica Section C","2005","61","5","o303","o305","10.1107/S0108270105004373","","","0.71073","MoKα","","0.1532","0.0519","","","0.0942","0.1103","","","","","","0.85","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014941","19.37","0.01","29.796","0.007","9.91","0.003","90","","90","","90","","5720","4","298","1","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H54 Cl6 Cu N6 O4 -","- C60 H54 Cl6 Cu N6 O4 -","- C240 H216 Cl24 Cu4 N24 O16 -","4","0.5","TA1482","Akitsu, Takashiro; Einaga, Yasuaki","<i>trans</i>-Bis(2,2-diphenylethylamine-κ<i>N</i>)bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)copper(II) and its chloroform disolvate","Acta Crystallographica Section C","2005","61","4","m183","m186","10.1107/S010827010500209X","","","0.7107","MoKα","","","0.0499","","","","0.1633","","","","","","0.993","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014942","14.313","0.004","15.888","0.005","11.863","0.004","90.13","0.03","95","0.03","63.58","0.02","2404.7","1.4","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H52 Cu N6 O4 -","- C58 H52 Cu N6 O4 -","- C116 H104 Cu2 N12 O8 -","2","1","TA1482","Akitsu, Takashiro; Einaga, Yasuaki","<i>trans</i>-Bis(2,2-diphenylethylamine-κ<i>N</i>)bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)copper(II) and its chloroform disolvate","Acta Crystallographica Section C","2005","61","4","m183","m186","10.1107/S010827010500209X","","","0.7107","MoKα","","","0.0689","","","","0.1607","","","","","","0.85","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014943","9.264","0.004","9.937","0.006","20.751","0.008","78.28","0.04","87.01","0.03","77.31","0.04","1824.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,3-bis{[2-(2-pyridinio)ethyl][2-(2-pyridyl)ethyl]amino}benzene diperchlorate dihydrate","","- C34 H42 Cl2 N6 O10 -","- C34 H42 Cl2 N6 O10 -","- C68 H84 Cl4 N12 O20 -","2","1","TA1487","Gnana Sutha S.; Babu Varghese; Narasimha N. Murthy","The perchlorate salt of the novel diprotonated dinucleating ligand 1,3-bis{[2-(2-pyridinio)ethyl][2-(2-pyridyl)ethyl]amino}benzene","Acta Crystallographica Section C","2005","61","6","o380","o382","10.1107/S010827010501245X","","","0.71073","MoKα","","0.135","0.0677","","","0.1714","0.2123","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014944","6.5408","0.0009","21.947","0.003","6.9672","0.001","90","","109.304","0.011","90","","943.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dilead trimercury chromate(VI)","","- Cr Hg3 O8 Pb2 -","- Cr Hg3 O8 Pb2 -","- Cr4 Hg12 O32 Pb8 -","4","1","TA1488","Klein, Wilhelm; Curda, Jan; Jansen, Martin","Dilead(II) trimercury(II) tetraoxide chromate(VI), Pb~2~(Hg~3~O~4~)(CrO~4~)","Acta Crystallographica Section C","2005","61","6","i63","i64","10.1107/S0108270105012552","","","0.71073","MoKα","","0.0498","0.0447","","","0.1145","0.1185","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014945","17.6164","0.0002","10.3189","0.0001","9.2348","0.0003","90","","90","","90","","1678.72","0.06","273","1","","","","","","","","","","4","P n n m","-P 2 2n","58","","poly[octa-μ-aqua-ocataqua-μ-decavanadato-hexalithium]","","- H32 Li6 O44 V10 -","- H32 Li6 O44 V10 -","- H64 Li12 O88 V20 -","2","0.25","TA1489","Ai-Li Xie; Chun-An Ma","Hexalithium hexadecahydrate decavanadate, [Li~6~(H~2~O)~16~V~10~O~28~]~<i>n~</i>","Acta Crystallographica Section C","2005","61","6","i67","i68","10.1107/S0108270105013181","","","0.7107","MoKα","","","0.021","","","","0.072","","","","","","1.026","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014946","15.8791","0.0019","15.8791","0.0019","9.905","0.002","90","","90","","120","","2162.9","0.6","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Tris(ethylenediamine)zinc(II) molybdate(VI)","","- C6 H24 Mo N6 O4 Zn -","- C6 H24 Mo N6 O4 Zn -","- C36 H144 Mo6 N36 O24 Zn6 -","6","0.5","TA1492","Guo-Hua Han; Bi-Zhou Lin; Zhen Li","Tris(ethylenediamine)zinc(II) molybdate(VI), [Zn(en)~3~][MoO~4~]","Acta Crystallographica Section C","2005","61","6","m313","m314","10.1107/S010827010501317X","","","0.71069","MoKα","","0.0386","0.0323","","","0.0954","0.099","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014947","14.962","0.002","16.577","0.003","18.117","0.003","90","","112.881","0.003","90","","4139.9","1.2","91","2","91","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{[N,N-bis(2-pyridylmethyl)amino]ethanol-κ^3^N,N',N''}tricarbonylrhenium(I) bromide methanol solvate","","- C18 H21 Br N3 O5 Re -","- C18 H21 Br N3 O5 Re -","- C144 H168 Br8 N24 O40 Re8 -","8","2","TR1108","Banerjee, Sangeeta Ray; Zubieta, Jon","A new tricarbonylrhenium(I) compound incorporating the tridentate ligand <i>N</i>,<i>N</i>-bispicolyl-2-ethanolamine","Acta Crystallographica Section C","2005","61","6","m275","m277","10.1107/S0108270105009820","","","0.71073","MoKα","","0.0754","0.0577","","","0.1258","0.1317","","","","","","1.175","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014948","7.9135","0.0001","9.3622","0.0004","13.328","0.0005","75.724","0.002","84.369","0.001","84.415","0.002","949.59","0.06","293","2","293","","","","","","","","","4","P -1","-P 1","2","","14-Phenyl-7-thiapyrano[2,3-c;6,5-c']diquinoline-14-carbonitrile","","- C26 H15 N3 S -","- C26 H15 N3 S -","- C52 H30 N6 S2 -","2","1","TR1113","Céline Besnard; Christian Kloc; Theo Siegrist; Christer Svensson; Krystian Pluta","Azinyl sulfides. LXXXI. 14-Phenyl-7-thiapyrano[2,3-<i>c</i>;6,5-<i>c</i>']diquinoline-14-carbonitrile","Acta Crystallographica Section C","2005","61","6","o377","o379","10.1107/S0108270105009832","","","0.996","synchrotron","","","0.0512","","","","0.1367","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014949","11.8543","0.0008","5.7221","0.0002","10.6312","0.0006","90","","90","","90","","721.13","0.07","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","1,3-Dibenzoyl-4,5-dihydro-1H-imidazole-2(3H)-thione","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C34 H28 N4 O4 S2 -","2","0.5","TR1118","Kazak, Canan; Yilmaz, Veysel T.; Servi, Suleyman; Koca, Murat; Heinemann, Frank W.","1,3-Dibenzoylimidazolidine-2-thione and 1,3-dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section C","2005","61","6","o348","o350","10.1107/S0108270105009844","","","0.71073","MoKα","","0.0266","0.0239","","","0.058","0.0591","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014950","8.6803","0.0006","21.946","0.001","8.1845","0.0009","90","","90","","90","","1559.1","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1H)-thione","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C72 H64 N8 O8 S4 -","4","0.5","TR1118","Kazak, Canan; Yilmaz, Veysel T.; Servi, Suleyman; Koca, Murat; Heinemann, Frank W.","1,3-Dibenzoylimidazolidine-2-thione and 1,3-dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section C","2005","61","6","o348","o350","10.1107/S0108270105009844","","","0.71073","MoKα","","0.0504","0.0382","","","0.0896","0.0951","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014951","8.757","0.003","8.807","0.003","11.769","0.006","84.073","0.011","75.766","0.013","61.044","0.009","769.7","0.5","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","7,7-Dicyclobutyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C17 H26 O4 -","- C17 H26 O4 -","- C34 H52 O8 -","2","1","TR1124","Foces-Foces, C.; Rodríguez, M. L.; Febles, M.; Pérez, C.; Martín, J. D.","Supramolecular aggregation of two hydroxycarboxylic acid derivatives","Acta Crystallographica Section C","2005","61","5","o339","o342","10.1107/S0108270105010267","","","0.71073","MoKα","","0.0687","0.0583","","","0.1604","0.1758","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014952","10.85","0.003","7.05","0.002","15.79","0.005","90","","94.207","0.01","90","","1204.6","0.6","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(hydroxymethyl)-7-oxaspiro[bicyclo[3.2.1]octane-6,1'-cyclopentane]-5- carboxylic acid","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","TR1124","Foces-Foces, C.; Rodríguez, M. L.; Febles, M.; Pérez, C.; Martín, J. D.","Supramolecular aggregation of two hydroxycarboxylic acid derivatives","Acta Crystallographica Section C","2005","61","5","o339","o342","10.1107/S0108270105010267","","","0.71073","MoKα","","0.0545","0.049","","","0.143","0.1535","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014953","6.2916","0.0002","6.2916","0.0002","8.1964","0.0002","90","","90","","120","","280.98","0.014","683","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Tl2 Se O4","Thallium selenate","","- O4 Se Tl2 -","- O4 Se Tl2 -","- O8 Se2 Tl4 -","2","0.0833333","TY1005","Matsuo, Yasumitsu; Tokoyoda, Yoshihide; Hatori, Junko; Komukae, Masaru; Ikehata, Seiichiro","Thallium selenate (Tl~2~SeO~4~) in a paraelastic phase by X-ray powder diffraction","Acta Crystallographica Section C","2005","61","4","i39","i40","10.1107/S0108270105003100","","","1.54184","CuKα","","","","","","","","","","","","","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014954","8.596","0.001","9.803","0.001","12.353","0.001","84.35","0.01","89.18","0.01","73.61","0.01","993.69","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","12-crown-4 bis(triphenylmethanethiol)","1,4,7,10-Tetraoxacyclododecane‒triphenylmethanethiol (1/2)","","- C46 H48 O4 S2 -","- C46 H48 O4 S2 -","- C46 H48 O4 S2 -","1","0.5","AV1238","Fonari, Marina S.; Ganin, Eduard V.; Wen-Jwu Wang","1,4,7,10-Tetraoxacyclododecane‒triphenylmethanethiol (1/2)","Acta Crystallographica Section C","2005","61","7","o431","o433","10.1107/S0108270105014289","","","0.71073","MoKα","","0.0756","0.0464","","","0.1111","0.1212","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014955","10.2078","0.0015","10.9122","0.0014","16.7214","0.001","96.55","0.016","98.113","0.008","115.592","0.012","1630.8","0.4","295","","","","","","","","","","","5","P -1","-P 1","2","","Bis{1-[N-(2-methoxyphenyl)iminomethyl]naphthalen-2(1H)-onato- κ^3^O,N,O'}zinc(II) ethanol solvate","","- C38 H34 N2 O5 Zn -","- C38 H34 N2 O5 Zn -","- C76 H68 N4 O10 Zn2 -","2","1","AV1245","Đilović, Ivica; Matković-Čalogović, Dubravka; Popović, Zora; Roje, Vibor","Bis{1-[<i>N</i>-(2-methoxyphenyl)iminomethyl]naphthalen-2(1<i>H</i>)-onato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}zinc(II) ethanol solvate","Acta Crystallographica Section C","2005","61","7","m351","m352","10.1107/S0108270105018044","","","0.71073","MoKα","","0.1054","0.0563","","","0.1437","0.1651","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014956","6.87","0.006","7.283","0.007","7.929","0.007","73.693","0.014","87.795","0.014","67.342","0.014","350.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","trans-μ-Oxamido-N,N'-diethanoato-bis[diaquacopper(II)] dihydrate","trans-{μ-2,2'-[(1,2-dioxoethane-1,2- diyl)diimino]diethanoato}bis[diaquacopper(II)] dihydrate","","- C6 H16 Cu2 N2 O12 -","- C6 H16 Cu2 N2 O12 -","- C6 H16 Cu2 N2 O12 -","1","0.5","AV1246","Jian-Fang Lou; Yan-Tuan Li; Zhi-Yong Wu; Da-Qi Wang; Jian-Min Dou","<i>trans</i>-μ-Oxamido-<i>N</i>,<i>N</i>'-diethanoato-bis[diaquacopper(II)] dihydrate","Acta Crystallographica Section C","2005","61","8","m400","m402","10.1107/S0108270105019529","","","0.71073","MoKα","","0.0263","0.0256","","","0.0708","0.0714","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014957","10.381","0.002","10.381","0.002","32.513","0.001","90","","90","","90","","3503.8","1","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","bis{μ-6,6-dimethyl-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}dicopper(II) 0.28-hydrate","","- C38 H40 Co2 N4 O4.28 -","- C38 H40 Co2 N4 O4.28 -","- C152 H160 Co8 N16 O17.12 -","4","0.5","AV1247","You, Zhong-Lu","Bis[μ-<i>N</i>,<i>N</i>'-bis(3-methylsalicylidene)propane-1,3-diaminato]dicobalt(II) 0.28-hydrate","Acta Crystallographica Section C","2005","61","7","m359","m360","10.1107/S0108270105019189","","","0.71073","MoKα","","0.0377","0.0334","","","0.0757","0.0778","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014958","7.172","0.002","8.742","0.003","11.36","0.003","70.35","0.02","86","0.02","67.06","0.02","616.2","0.3","293","2","","","","","","","","","","5","P -1","-P 1","2","","Di-μ-thiocyanato-bis[(3,5-dimethyl-1H-pyrazole-1-carboxamidine- κ^2^N,N')(thiocyanato-κN)copper(II)]","","- C16 H20 Cu2 N12 S4 -","- C16 H20 Cu2 N12 S4 -","- C16 H20 Cu2 N12 S4 -","1","0.5","AV1248","Bogdanović, Goran A.; Jaćimović, Željko K.; Leovac, Vukadin M.","Transition metal complexes with pyrazole-based ligands. XXII. Di-μ-thiocyanato-bis[(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)copper(II)] and a redetermination of bis(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section C","2005","61","8","m376","m379","10.1107/S0108270105018913","","","0.71073","MoKα","","","0.0423","","","","0.125","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014959","5.476","0.002","9.379","0.003","9.529","0.003","76.99","0.02","75.38","0.02","86.96","0.02","461.4","0.3","293","2","","","","","","","","","","5","P -1","-P 1","2","","bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-κ^2^N,N')bis(nitrato- κO)copper(II)","","- C12 H20 Cu N10 O6 -","- C12 H20 Cu N10 O6 -","- C12 H20 Cu N10 O6 -","1","0.5","AV1248","Bogdanović, Goran A.; Jaćimović, Željko K.; Leovac, Vukadin M.","Transition metal complexes with pyrazole-based ligands. XXII. Di-μ-thiocyanato-bis[(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)copper(II)] and a redetermination of bis(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section C","2005","61","8","m376","m379","10.1107/S0108270105018913","","","0.71073","MoKα","","","0.03","","","","0.0833","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014960","8.824","0.002","23.183","0.004","11.305","0.003","90","","96.185","0.002","90","","2299.2","0.9","295","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-N-(5-methylisoxazol-3-yl)-N-[(4-oxo-2-phenyl-4H-1-benzopyran-6- yl)methyl]benzensulfonamide","","- C26 H21 N3 O5 S -","- C26 H21 N3 O5 S -","- C104 H84 N12 O20 S4 -","4","1","AV1251","Özbey, Süheyla; Akbaş, Arzu; Ayhan-Kilcigil, Gülgün; Ertan, Rahmiye","Antibacterial 4-amino-<i>N</i>-(5-methylisoxazol-3-yl)-<i>N</i>-[(4-oxo-2-phenyl-4<i>H</i>-1-benzopyran-6-yl)methyl]benzenesulfonamide","Acta Crystallographica Section C","2005","61","9","o559","o561","10.1107/S0108270105023759","","","0.71073","MoKα","","","0.055","","","","0.1464","","","","","","0.965","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014961","10.499","0.002","12.208","0.002","11.886","0.002","90","","90","","90","","1523.4","0.5","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","catena-Poly[[{2,4-dichloro-6-[(pyridin-2-ylmethylimino)methyl]phenolato}- copper(II)]-μ-thiocyanato]","","- C14 H9 Cl2 Cu N3 O S -","- C14 H9 Cl2 Cu N3 O S -","- C56 H36 Cl8 Cu4 N12 O4 S4 -","4","1","AV1260","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[[2,4-dichloro-6-(pyridin-2-ylmethyliminomethyl)phenolato]copper(II)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","9","m421","m423","10.1107/S0108270105023760","","","0.71073","MoKα","","0.047","0.0426","","","0.0931","0.0954","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014962","6.7703","0.001","16.0954","0.0011","10.3136","0.0005","90","","90","","90","","1123.88","0.19","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","sodium tetracalcium orthovanadate","sodium tetracalcium trivanadiun dodecaoxide","","- Ca4 Na O12 V3 -","- Ca4 Na O12 V3 -","- Ca16 Na4 O48 V12 -","4","0.5","BC1070","Hamdi Ben Yahia; Etienne Gaudin; Jacques Darriet","Sodium calcium orthovanadate, NaCa~4~(VO~4~)~3~","Acta Crystallographica Section C","2005","61","7","i79","i80","10.1107/S0108270105018214","","","0.71069","MoKα","","0.0543","0.0349","","","0.0752","0.083","","","","","","1.16","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014963","5.564","0.002","5.51","0.002","7.802","0.003","90","","90.18","0.03","90","","239.19","0.15","160","","160","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","lanthanum barium manganite perovskite","lanthanum barium manganese trioxide","","- Ba0.185 La0.815 Mn O3 -","- Ba0.185 La0.815 Mn O3 -","- Ba0.74 La3.26 Mn4 O12 -","4","0.5","BC1071","Nicola Rotiroti; Rafael Tamazyan; Sander van Smaalen; Ya. Mukovskii","Monoclinic La~1{-~<i>x</i>}Ba~<i>x~</i>MnO~3~ (<i>x</i> = 0.185) at 160 K","Acta Crystallographica Section C","2005","61","9","i83","i85","10.1107/S0108270105017518","","","0.71069","MoKα","","0.0356","0.027","","","0.0319","0.0327","","","","","","1.68","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014964","4.5666","0.0003","11.2194","0.001","16.7595","0.0013","90","","96.549","0.006","90","","853.06","0.12","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","thallium(III) selenite","dithallium(III) triselenium(IV) oxide","","- O9 Se3 Tl2 -","- O9 Se3 Tl2 -","- O36 Se12 Tl8 -","4","1","BC1073","Harrison, William T. A.","Thallium(III) selenite, Tl~2~(SeO~3~)~3~","Acta Crystallographica Section C","2005","61","7","i76","i78","10.1107/S0108270105018111","","","0.71073","MoKα","","0.0531","0.0442","","","0.1152","0.1212","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014965","16.193","0.0004","33.45","0.0009","6.5169","0.0002","90","","112.349","0.001","90","","3264.77","0.16","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","sodium hexaamminecobalt(III) tetrakis(4-fluorobenzoate) monohydrate","","- C28 H36 Co F4 N6 Na O9 -","- C28 H36 Co F4 N6 Na O9 -","- C112 H144 Co4 F16 N24 Na4 O36 -","4","0.5","BG1006","Sharma, Raj Pal; Bala, Ritu; Sharma, Rajni; Bond, Andrew D.","Second-sphere coordination in anion binding: sodium hexaamminecobalt(III) tetrakis(4-fluorobenzoate) monohydrate","Acta Crystallographica Section C","2005","61","7","m356","m358","10.1107/S0108270105018500","","","0.71073","MoKα","","0.0378","0.0293","","","0.0791","0.0853","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014966","9.759","0.001","12.861","0.001","14.06","0.001","90","","99.2","0.03","90","","1742","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Octachloro-1κ^4^Cl,4κ^4^Cl-tetra-μ-dimethylglycine-2:3κ^8^O:O'- tetracopper(II)]","","- C16 H36 Cl8 Cu4 N4 O8 -","- C16 H36 Cl8 Cu4 N4 O8 -","- C32 H72 Cl16 Cu8 N8 O16 -","2","0.5","BG1009","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Martin-Gil, J.","Di-μ-chloro-1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-hexachloro-1κ^3^<i>Cl</i>,4κ^3^<i>Cl</i>-tetra-μ-dimethylglycine-2:3κ^8^<i>O</i>:<i>O</i>'-tetracopper(II)","Acta Crystallographica Section C","2005","61","8","m380","m382","10.1107/S0108270105021591","","","0.71073","MoKα","","0.0351","0.0235","","","0.0581","0.0635","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014967","12.1176","0.0003","11.3888","0.0003","15.2667","0.0004","90","","98.8372","0.001","90","","2081.87","0.09","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-2-Methyl-3-(2-methyl-2-nitrovinyl)-1H-indole","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","1","BM1609","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-2-Methyl-3-(2-methyl-2-nitrovinyl)-1<i>H</i>-indole and (<i>E</i>)-3-(2-methyl-2-nitrovinyl)-2-phenyl-1<i>H</i>-indole","Acta Crystallographica Section C","2005","61","8","o527","o530","10.1107/S0108270105022298","","","0.71073","MoKα","","0.0528","0.0404","","","0.1067","0.1138","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014968","7.7856","0.0002","10.4801","0.0003","16.7489","0.0005","90","","90","","90","","1366.61","0.07","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-(2-Methyl-2-nitrovinyl)-2-phenyl-1H-indole","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","BM1609","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-2-Methyl-3-(2-methyl-2-nitrovinyl)-1<i>H</i>-indole and (<i>E</i>)-3-(2-methyl-2-nitrovinyl)-2-phenyl-1<i>H</i>-indole","Acta Crystallographica Section C","2005","61","8","o527","o530","10.1107/S0108270105022298","","","0.71073","MoKα","","0.08","0.0441","","","0.0918","0.1063","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014969","13.08","0.004","8.998","0.003","18.406","0.005","90","","99.37","0.03","90","","2137.4","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[tert-Butoxycarbonylglycyl-(Z)-α,β-dehydrophenylalanylglycyl-(E)- α,β-dehydrophenylalanylphenylalanyl]-4-nitroaniline ethanol solvate","","- C44 H49 N7 O10 -","- C44 H49 N7 O10 -","- C88 H98 N14 O20 -","2","1","DN1081","Makowski, Maciej; Brzuszkiewicz, Anna; Lisowski, Marek; Lis, Tadeusz","<i>N</i>-[<i>tert</i>-Butoxycarbonylglycyl-(<i>Z</i>)-α,β-dehydrophenylalanylglycyl-(<i>E</i>)-α,β-dehydrophenylalanylphenylalanyl]-4-nitroaniline ethanol solvate","Acta Crystallographica Section C","2005","61","7","o424","o426","10.1107/S0108270105015258","","","1.5418","CuKα","","0.1002","0.0717","","","0.1681","0.1918","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014970","9.752","0.005","9.894","0.006","11.685","0.006","105.963","0.005","99.76","0.007","98.062","0.003","1047.3","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[μ-1,4-bis(imidazol-1-ylmethyl)benzene- κ^2^N^3^:N^3'^]bis[dichlorocopper(II)]]-bis[μ-1,4-bis(imidazol-1- ylmethyl)benzene]-1:1'κ^2^N^3^:N^3'^;2:2'κ^2^N^3^:N^3'^]","","- C21 H21 Cl2 Cu N6 -","- C21 H22 Cl2 Cu N6 -","- C42 H44 Cl4 Cu2 N12 -","2","1","DN1091","Tao Li; Sheng-Min Hu; Shao-Wu Du","<i>catena</i>-Poly[[[μ-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[dichlorocopper(II)]]-bis[μ-1,4-bis(imidazol-1-ylmethyl)benzene]-1:1'κ^2^<i>N</i>^3^:<i>N</i>^3'^;2:2'κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section C","2005","61","9","m409","m411","10.1107/S0108270105019682","","","0.71073","MoKα","","0.0685","0.0447","","","0.0828","0.0931","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014971","11.398","0.0002","22.6068","0.0004","13.1547","0.0002","90","","115.429","0.001","90","","3061.21","0.09","120","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-Diphenyl-4,8-bis(3-phenylpyrazol-1-yl)pyrazabole","","- C36 H30 B2 N8 -","- C36 H30 B2 N8 -","- C144 H120 B8 N32 -","4","1","DN1094","Kunrath, Fábio A.; Casagrande, Osvaldo L.; Toupet, Loïc; Carpentier, Jean-François","1,5-Diphenyl-4,8-bis(3-phenylpyrazol-1-yl)pyrazabole","Acta Crystallographica Section C","2005","61","8","o521","o523","10.1107/S0108270105021967","","","0.71069","MoKα","","0.0763","0.0483","","","0.116","0.1311","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014972","11.767","0.002","7.418","0.0015","33.87","0.007","90","","90","","90","","2956.4","1","298","2","298","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","catena-Poly[[{4-bromo-2-[2- (dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-thiocyanato]","","- C12 H14 Br Cu N3 O S -","- C12 H14 Br Cu N3 O S -","- C96 H112 Br8 Cu8 N24 O8 S8 -","8","2","DN1095","You, Zhong-Lu","<i>catena</i>-Poly[[{4-bromo-2-[2-(dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","9","m406","m408","10.1107/S0108270105023139","","","0.71073","MoKα","","0.0415","0.0358","","","0.0891","0.0916","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014973","23.066","0.002","5.0026","0.0004","8.022","0.0007","90","","108.871","0.009","90","","875.9","0.14","105","","105","","","","","","","","","5","C 1 2 1","C 2y","5","","Bis(3-phenyl-1,2,4-thiadiazole-5-thiolato)mercury(II)","","- C16 H10 Hg N4 S4 -","- C16 H10 Hg N4 S4 -","- C32 H20 Hg2 N8 S8 -","2","0.5","EM1000","Dürüst, Yaşar; Altuğ, Cevher; Bozkurt, Çetin; Fronczek, Frank R.","Bis(3-phenyl-1,2,4-thiadiazole-5-thiolato)mercury(II)","Acta Crystallographica Section C","2005","61","9","m442","m444","10.1107/S0108270105025734","","","0.71073","MoKα","","0.023","0.023","","","0.05","0.05","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014974","14.0813","0.0013","10.2094","0.0019","12.372","0.003","90","","91.621","0.014","90","","1777.9","0.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-amino-cyclohexanspiro-5-hydantoin","3-amino-1,3-diazaspiro[4.5]decane-2,4-dione or 1'-aminocyclohexanespiro-4'-imidazole-2',5'(3'H,4'H)-dione","","- C8 H13 N3 O2 -","- C8 H13 N3 O2 -","- C64 H104 N24 O16 -","8","2","FA1115","Boris Shivachev; Rosica Petrova; Emilia Naydenova","Dimorphism in 3'-aminocyclohexanespiro-5'-hydantoin","Acta Crystallographica Section C","2005","61","8","o524","o526","10.1107/S0108270105016033","","","0.71073","MoKα","","0.1193","0.0498","","","0.0975","0.1184","","","","","","0.989","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014975","6.1743","0.0012","26.765","0.003","6.0257","0.0012","90","","111.425","0.011","90","","927","0.3","290","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-amino-cyclohexanspiro-5-hydantoin","3-amino-1,3-diazaspiro[4.5]decane-2,4-dione or 1'-aminocyclohexanespiro-4'-imidazole-2',5'(3'H,4'H)-dione","","- C8 H13 N3 O2 -","- C8 H13 N3 O2 -","- C32 H52 N12 O8 -","4","1","FA1115","Boris Shivachev; Rosica Petrova; Emilia Naydenova","Dimorphism in 3'-aminocyclohexanespiro-5'-hydantoin","Acta Crystallographica Section C","2005","61","8","o524","o526","10.1107/S0108270105016033","","","0.71073","MoKα","","0.1249","0.0551","","","0.114","0.138","","","","","","1.037","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014976","10.207","0.006","4.78","0.003","11.955","0.007","90","","101.39","0.01","90","","571.8","0.6","20","1","20","1","","","","","","","","4","P 1 21 1","P 2yb","4","Ala-Gly-Ala","L-Alanylglycyl-L-alanine monohydrate","","- C8 H17 N3 O5 -","- C8 H17 N3 O5 -","- C16 H34 N6 O10 -","2","1","FA1135","Förster, Diana; Messerschmidt, Marc; Luger, Peter","<small>L</small>-Alanylglycyl-<small>L</small>-alanine monohydrate at 20K","Acta Crystallographica Section C","2005","61","7","o420","o421","10.1107/S0108270105015015","","","0.71073","MoKα","","0.0276","0.0269","","","0.0706","0.0711","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014977","8.6928","0.0017","8.8579","0.0018","9.6059","0.0019","85.17","0.03","65.14","0.03","74.03","0.03","644.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[diaquabis(5-carboxypentanoato-κO)cobalt(II)]-μ- 1,2-di-4-pyridylethane-κ^2^N:N']","","- C24 H34 Co N2 O10 -","- C24 H34 Co N2 O10 -","- C24 H34 Co N2 O10 -","1","0.5","FA1144","Hong-Zhen Xie; Dan-Yi Wei; Yue-Qing Zheng","<i>catena</i>-Poly[[diaquabis(5-carboxypentanoato-κ<i>O</i>)cobalt(II)]-μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2005","61","9","m419","m420","10.1107/S0108270105022882","","","0.71073","MoKα","","0.0344","0.0299","","","0.0756","0.0781","","","","","","1.046","","","","has coordinates,has Fobs","194596","2020-10-21","18:00:00",""
"2014978","17.805","0.006","7.002","0.002","12.071","0.006","90","","90","","90","","1504.9","1","291","2","291","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","Tetragermanium nonaselenide","","- Ge4 Se9 -","- Ge4 Se9 -","- Ge16 Se36 -","4","1","FA1148","Jung-Eun Kwak; Hoseop Yun","Reinvestigation of Ge~4~Se~9~ based on single-crystal data","Acta Crystallographica Section C","2005","61","8","i81","i82","10.1107/S0108270105021979","","","0.71073","MoKα","","","0.0371","","","","0.0742","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014979","5.2213","0.0001","6.7525","0.0001","11.2121","0.0001","90","","94.846","0.0003","90","","393.89","0.01","2","","2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl sulfoxide","dimethyl sulfoxide","","- C2 D6 O S -","- C2 D6 O S -","- C8 D24 O4 S4 -","4","1","FA1152","Ibberson, Richard M.","Neutron powder diffraction studies of dimethyl sulfoxide","Acta Crystallographica Section C","2005","61","9","o571","o573","10.1107/S010827010502617X","","neutron","","time-of-flightneutron","","","","","","","","","","1.38","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014980","5.239","0.0001","6.7581","0.0001","11.2696","0.0001","90","","94.8053","0.0003","90","","397.605","0.01","100","","2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl sulfoxide","dimethyl sulfoxide","","- C2 D6 O S -","- C2 D6 O S -","- C8 D24 O4 S4 -","4","1","FA1152","Ibberson, Richard M.","Neutron powder diffraction studies of dimethyl sulfoxide","Acta Crystallographica Section C","2005","61","9","o571","o573","10.1107/S010827010502617X","","neutron","","time-of-flightneutron","","","","","","","","","","1.17","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014981","17.998","0.005","7.112","0.003","20.39","0.006","90","","90","","90","","2610","1.5","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-acetamido-N-benzyl-2-(methoxyamino)acetamide","","- C12 H17 N3 O3 -","- C12 H17 N3 O3 -","- C96 H136 N24 O24 -","8","1","FG1843","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","2-Acetamido-<i>N</i>-benzyl-2-(methoxyamino)acetamides: functionalized amino acid anticonvulsants","Acta Crystallographica Section C","2005","61","7","o417","o419","10.1107/S0108270105014745","","","1.54178","CuKα","","0.0886","0.0624","","","0.1378","0.1464","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014982","4.859","0.002","10.587","0.003","14.168","0.004","86.84","0.02","80.66","0.03","80.28","0.03","708.6","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-acetamido-N-benzyl-2-[methoxy(methyl)amino]acetamide","","- C13 H19 N3 O3 -","- C13 H19 N3 O3 -","- C26 H38 N6 O6 -","2","1","FG1843","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","2-Acetamido-<i>N</i>-benzyl-2-(methoxyamino)acetamides: functionalized amino acid anticonvulsants","Acta Crystallographica Section C","2005","61","7","o417","o419","10.1107/S0108270105014745","","","1.54178","CuKα","","0.1628","0.1018","","","0.2291","0.2499","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014983","10.1428","0.0003","8.0965","0.0002","23.0557","0.0007","90","","95.4912","0.0014","90","","1884.67","0.09","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl 2-[(4-ferrocenylbenzoyl)amino]-3-thiophenecarboxylate","","- C23 H19 Fe N O3 S -","- C23 H19 Fe N O3 S -","- C92 H76 Fe4 N4 O12 S4 -","4","1","FG1846","Alley, Steven; Gallagher, John F.; Hooper, Vincent M.; Kenny, Peter T. M.; Lough, Alan J.","Methyl 2-(4-ferrocenylbenzamido)thiophene-3-carboxylate and ethyl 2-(4-ferrocenylbenzamido)-1,3-thiazole-4-acetate, a unique ferrocene derivative containing a thiazole moiety","Acta Crystallographica Section C","2005","61","7","m365","m369","10.1107/S010827010501783X","","","0.71073","MolybdenumKα","","0.0535","0.0357","","","0.0802","0.088","","","","","","1.055","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014984","12.7466","0.0004","12.8752","0.0008","13.5661","0.0007","91.811","0.003","106.096","0.003","92.735","0.003","2134.35","0.19","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","Ethyl 2-[(4-ferrocenylbenzoyl)amino]-4-(1,3-thiazole)acetate","","- C24 H22 Fe N2 O3 S -","- C24 H22 Fe N2 O3 S -","- C96 H88 Fe4 N8 O12 S4 -","4","2","FG1846","Alley, Steven; Gallagher, John F.; Hooper, Vincent M.; Kenny, Peter T. M.; Lough, Alan J.","Methyl 2-(4-ferrocenylbenzamido)thiophene-3-carboxylate and ethyl 2-(4-ferrocenylbenzamido)-1,3-thiazole-4-acetate, a unique ferrocene derivative containing a thiazole moiety","Acta Crystallographica Section C","2005","61","7","m365","m369","10.1107/S010827010501783X","","","0.71073","MolybdenumKα","","0.1161","0.05","","","0.1032","0.1268","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014985","13.476","0.003","7.3396","0.0015","13.166","0.003","90","","110","0.03","90","","1223.7","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[bisaquabarium(II)-μ-benzene-1,3-dioxyacetato-κ^3^O,O':O'']","","- C10 H12 Ba O8 -","- C10 H12 Ba O8 -","- C40 H48 Ba4 O32 -","4","1","FG1847","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","Poly[[diaquabarium(II)]-μ~5~-<i>m</i>-phenylenedioxydiacetato]: a three-dimensional barium(II) coordination polymer","Acta Crystallographica Section C","2005","61","7","m348","m350","10.1107/S0108270105017828","","","0.71073","MoKα","","0.0319","0.0275","","","0.0706","0.0726","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014986","9.9731","0.0006","12.3273","0.0007","18.2323","0.0011","90","","91.508","0.001","90","","2240.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(1H-benzimidazol-2-ylmethyl)amine monohydrate","","- C24 H23 N7 O -","- C24 H23 N7 O -","- C96 H92 N28 O4 -","4","1","FG1867","Sheng-Run Zheng; Yong-Ru Liu; Xiang-Li Zheng; Xue-Li Zhang; Cheng-Yong Su","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine‒solvent adducts","Acta Crystallographica Section C","2005","61","9","o533","o536","10.1107/S0108270105023553","","","0.71073","MoKα","","0.0591","0.0395","","","0.1066","0.1151","","","","","","1.026","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014987","9.778","0.004","9.995","0.002","14.397","0.006","103.34","0.01","98.16","0.01","102.34","0.01","1310.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tris(1H-benzimidazol-2-ylmethyl)amine‒water‒methanol‒acetonitrile (1/1.5/0.5/1)","","- C26.5 H29 N8 O2 -","- C26.5 H28.5 N8 O2 -","- C53 H57 N16 O4 -","2","1","FG1867","Sheng-Run Zheng; Yong-Ru Liu; Xiang-Li Zheng; Xue-Li Zhang; Cheng-Yong Su","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine‒solvent adducts","Acta Crystallographica Section C","2005","61","9","o533","o536","10.1107/S0108270105023553","","","0.71073","MoKα","","0.067","0.0448","","","0.1017","0.1133","","","","","","1.008","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2014988","28.513","0.012","9.007","0.005","7.471","0.003","90","","99.83","0.03","90","","1890.5","1.5","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-ethyl-3,5-dimethylpyrrole-2-carbaldehyde","","- C10 H15 N O -","- C10 H15 N O -","- C80 H120 N8 O8 -","8","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.1073","0.0639","","","0.1483","0.1742","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014989","31.793","0.018","7.308","0.002","10.553","0.003","90","","97.02","0.03","90","","2433.5","1.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benzyl 3,5-dimethylpyrrole-2-carboxylate","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0679","0.0495","","","0.1296","0.1441","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014990","13.473","0.003","14.359","0.003","7.489","0.002","90","","100.47","0.02","90","","1424.7","0.6","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","benzyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0486","0.0427","","","0.1146","0.1203","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014991","8.15","0.004","16.04","0.006","7.908","0.004","90","","95.31","0.03","90","","1029.3","0.8","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 3,5-dimethylpyrrole-2,4-dicarboxylate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0485","0.0466","","","0.1324","0.1341","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014992","5.179","0.002","13.986","0.004","22.315","0.013","90","","90.09","0.04","90","","1616.4","1.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-ethyl-3,5-dimethyl-2-[(2-p-tosyl)acetyl]pyrrole","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0664","0.0479","","","0.1114","0.1226","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014993","7.281","0.003","10.363","0.006","11.003","0.007","65.11","0.05","84.61","0.05","86.65","0.04","749.6","0.8","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","ethyl 4-(2-ethoxycarbonyl-2-hydroxyacryloyl)-3,5-dimethylpyrrole-2-carboxylate","","- C15 H19 N O6 -","- C15 H19 N O6 -","- C30 H38 N2 O12 -","2","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0998","0.0662","","","0.1662","0.1916","","","","","","1.023","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014994","13.353","0.002","13.37","0.002","13.6","0.003","90","","96.796","0.011","90","","2410.9","0.7","295","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2-Bis[5-(1,3-dioxolan-2-yl)-2-ethyl-3-thienyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C23 H22 F6 O4 S2 -","- C23 H22 F6 O4 S2 -","- C92 H88 F24 O16 S8 -","4","1","FG1872","Pu, Shou-Zhi; Yang, Tian-She; Wang, Ru-Ji; Xu, Jing-Kun","1,2-Bis[5-(1,3-dioxolan-2-yl)-2-ethyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, a photochromic dithienylethene","Acta Crystallographica Section C","2005","61","9","o568","o570","10.1107/S0108270105025758","","","0.71073","MoKα","","0.0606","0.0494","","","0.1341","0.1443","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014995","8.3049","0.0004","27.1833","0.0016","8.9868","0.0005","90","","90","","90","","2028.81","0.19","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","Diacetatobis(2-aminobenzothiazole-κN)cobalt(II)","","- C18 H18 Co N4 O4 S2 -","- C18 H18 Co N4 O4 S2 -","- C72 H72 Co4 N16 O16 S8 -","4","1","FR1521","Hümeyra Batı; Hanife Saraçoĝlu; Nezihe Çalıs̨kan; Serkan Soylu","Diacetatobis(2-aminobenzothiazole-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section C","2005","61","7","m342","m343","10.1107/S0108270105016811","","","0.71073","MoKα","","0.0261","0.0247","","","0.0623","0.0629","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014996","7.7406","0.0007","14.9682","0.0014","5.4928","0.0007","90","","90","","90","","636.41","0.12","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione","3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","0.5","FR1522","Geith, Janna; Klapötke, Thomas M.; Mayer, Peter; Schulz, Axel; Weigand, Jan J.","3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione: short intermolecular contacts determining the crystal packing","Acta Crystallographica Section C","2005","61","9","o545","o547","10.1107/S0108270105023231","","","0.71073","MoKα","","0.0464","0.0326","","","0.0858","0.0918","","","","","","0.961","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014997","7.047","0.0008","14.4473","0.0012","8.1165","0.0008","90","","90.814","0.008","90","","826.26","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-methyl-N-(2-nitrophenyl)nitramine","N-methyl-N,2-dinitroaniline","","- C7 H7 N3 O4 -","- C7 H7 N3 O4 -","- C28 H28 N12 O16 -","4","1","FR1523","Zarychta, Bartosz; Piecyk-Mizgała, Anna; Daszkiewicz, Zdzisław; Zaleski, Jacek","<i>N</i>-Methyl-<i>N</i>-(2-nitrophenyl)nitramine and <i>N</i>-methyl-<i>N</i>-(3-nitrophenyl)nitramine","Acta Crystallographica Section C","2005","61","8","o515","o517","10.1107/S010827010502158X","","","0.71073","MoKα","","0.0404","0.0315","","","0.0856","0.0894","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014998","8.7322","0.0011","13.651","0.0016","7.5547","0.0012","90","","111.195","0.013","90","","839.6","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-Methyl-N-(3-nitrophenyl)nitramine","N-methyl-N,3-dinitroaniline","","- C7 H7 N3 O4 -","- C7 H7 N3 O4 -","- C28 H28 N12 O16 -","4","1","FR1523","Zarychta, Bartosz; Piecyk-Mizgała, Anna; Daszkiewicz, Zdzisław; Zaleski, Jacek","<i>N</i>-Methyl-<i>N</i>-(2-nitrophenyl)nitramine and <i>N</i>-methyl-<i>N</i>-(3-nitrophenyl)nitramine","Acta Crystallographica Section C","2005","61","8","o515","o517","10.1107/S010827010502158X","","","0.71073","MoKα","","0.0341","0.0291","","","0.0757","0.0782","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014999","23.005","0.003","9.2208","0.0012","7.9222","0.0011","90","","103.2","0.003","90","","1636.1","0.4","193.15","","193.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[copper(II)-di-μ~2~-thiocyanato-μ~2~-1,4-bis(1,2,4-triazol-1- ylmethyl)benzene]","","- C14 H12 Cu N8 S2 -","- C14 H12 Cu N8 S2 -","- C56 H48 Cu4 N32 S8 -","4","0.5","GA1092","Yan-Fen Peng; Xun-Gao Liu; Bao-Zong Li; Bao-Long Li; Yong Zhang","A novel three-dimensional copper(II) coordination polymer with 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and thiocyanate","Acta Crystallographica Section C","2005","61","7","m333","m336","10.1107/S0108270105016057","","","0.71073","MoKα","","0.0314","0.0295","","","0.0773","0.0785","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015000","14.6464","0.0006","10.6667","0.0004","20.4459","0.0008","90","","95.523","0.001","90","","3179.4","0.2","187","1","187","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","thiamine tetraphenylborate monohydrate","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium tetraphenylborate monohydrate","","- C36 H39 B N4 O2 S -","- C36 H39 B N4 O2 S -","- C144 H156 B4 N16 O8 S4 -","4","1","GD1390","Hu, Ning-Hai; Jia, Heng-Qing; Xu, Jing-Wei; Katsuyuki Aoki","Thiamine tetraphenylborate monohydrate: a two-dimensional hydrogen-bonded network with (4,4)-topology","Acta Crystallographica Section C","2005","61","7","o457","o459","10.1107/S0108270105015714","","","0.71073","MoKα","","0.0615","0.0476","","","0.1142","0.123","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015001","28.882","0.006","9.198","0.002","5.605","0.001","90","","90","","90","","1489","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride","","- C15 H14 Cl N3 S -","- C15 H14 Cl N3 S -","- C60 H56 Cl4 N12 S4 -","4","1","GD1394","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","Stereochemical basis for activity in thiadiazole anticonvulsants: 1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride and two inactive analogues, 2-(biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole and the methanol solvate of its hydrochloride salt","Acta Crystallographica Section C","2005","61","7","o427","o430","10.1107/S0108270105015891","","","1.54178","CuKα","","0.0923","0.0565","","","0.1158","0.1235","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015002","7.988","0.002","14.15","0.003","14.545","0.003","74.77","0.03","89.6","0.02","80.79","0.02","1564.8","0.7","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(Biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole","","- C17 H16 N4 S -","- C17 H16 N4 S -","- C68 H64 N16 S4 -","4","2","GD1394","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","Stereochemical basis for activity in thiadiazole anticonvulsants: 1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride and two inactive analogues, 2-(biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole and the methanol solvate of its hydrochloride salt","Acta Crystallographica Section C","2005","61","7","o427","o430","10.1107/S0108270105015891","","","1.54178","CuKα","","0.1177","0.0729","","","0.1634","0.1766","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015003","7.472","0.003","16.437","0.004","15.532","0.002","90","","101.41","0.02","90","","1869.9","0.9","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(biphenyl-4-yl)-2-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazol-3-ium chloride methanol solvate","","- C18 H21 Cl N4 O S -","- C18 H21 Cl N4 O S -","- C72 H84 Cl4 N16 O4 S4 -","4","1","GD1394","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","Stereochemical basis for activity in thiadiazole anticonvulsants: 1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride and two inactive analogues, 2-(biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole and the methanol solvate of its hydrochloride salt","Acta Crystallographica Section C","2005","61","7","o427","o430","10.1107/S0108270105015891","","","1.54178","CuKα","","0.1815","0.092","","","0.2327","0.2642","","","","","","0.889","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015004","8.244","0.001","8.319","0.001","12.722","0.001","77.864","0.007","77.502","0.006","66.214","0.005","772.05","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","(E)-8-(3-Chlorostyryl)-1,3,7-trimethylxanthine","(E)-8-(3-chlorostyryl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione","","- C16 H15 Cl N4 O2 -","- C16 H15 Cl N4 O2 -","- C32 H30 Cl2 N8 O4 -","2","1","GD1409","Frédérick, Raphaël; Ooms, Frederic; Castagnoli Jr, Neal; Petzer, Jacques P.; Feng, Jiang-Fan; Schwarzschild, Michael A.; Van der Schyf, Cornelis J.; Wouters, Johan","(<i>E</i>)-8-(3-Chlorostyryl)-1,3,7-trimethylxanthine, a caffeine derivative acting both as antagonist of adenosine A2A receptors and as inhibitor of MAO-B","Acta Crystallographica Section C","2005","61","9","o531","o532","10.1107/S0108270105023140","","","1.54175","CuKα","","0.0493","0.046","","","0.1282","0.1321","","","","","","1.031","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015005","13.6775","0.0005","14.0221","0.0005","17.2879","0.0006","111.776","0.001","91.679","0.001","104.212","0.001","2957.96","0.18","90","1","90","1","","","","","","","","6","P -1","-P 1","2","[Cu(dmp)2]2[PF6]2ACN0.5bpmh","Bis[bis(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(I)] bis(hexafluorophosphate) hemi[bis(4-pyridylmethylidyne)hydrazine] acetonitrile solvate","","- C64 H56 Cu2 F12 N11 P2 -","- C64 H56 Cu2 F12 N11 P2 -","- C128 H112 Cu4 F24 N22 P4 -","2","1","GG1253","Graham King; Milan Gembicky; Philip Coppens","Two novel bis(2,9-dimethyl-1,10-phenanthroline)copper(I) complexes: [Cu(dmp)~2~]~2~(PF~6~)~2~·0.5(bpmh)·CH~3~CN and [Cu(dmp)~2~][N(CN)~2~]","Acta Crystallographica Section C","2005","61","7","m329","m332","10.1107/S0108270105010760","","","0.71073","MoKα","","0.0357","0.0301","","","0.0779","0.0821","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015006","15.0055","0.0005","10.3286","0.0003","16.8878","0.0005","90","","101.138","0.001","90","","2568.07","0.14","90","1","90","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Cu(dmp)2]dca","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(I) dicyanamide","","- C30 H24 Cu N7 -","- C30 H24 Cu N7 -","- C120 H96 Cu4 N28 -","4","1","GG1253","Graham King; Milan Gembicky; Philip Coppens","Two novel bis(2,9-dimethyl-1,10-phenanthroline)copper(I) complexes: [Cu(dmp)~2~]~2~(PF~6~)~2~·0.5(bpmh)·CH~3~CN and [Cu(dmp)~2~][N(CN)~2~]","Acta Crystallographica Section C","2005","61","7","m329","m332","10.1107/S0108270105010760","","","0.71073","MoKα","","0.0371","0.0291","","","0.0783","0.0847","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015007","14.9365","0.0018","9.6588","0.0013","13.7975","0.0016","90","","107.907","0.009","90","","1894.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Triphenylphosphoranylidene)pentane-2,4-dione","","- C23 H21 O2 P -","- C23 H21 O2 P -","- C92 H84 O8 P4 -","4","1","GG1259","Fernando Castañeda; Christian Aliaga; Clifford A. Bunton; María Teresa Garland; Ricardo Baggio","3-(Triphenylphosphoranylidene)pentane-2,4-dione and diethyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2005","61","8","o496","o499","10.1107/S0108270105015064","","","0.71073","MoKα","","0.0501","0.0395","","","0.0999","0.1062","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015008","12.572","0.014","9.022","0.012","19.52","0.02","90","","90.12","0.02","90","","2214","4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethyl 2-(triphenylphosphoranylidene)malonate","","- C25 H25 O4 P -","- C25 H25 O4 P -","- C100 H100 O16 P4 -","4","1","GG1259","Fernando Castañeda; Christian Aliaga; Clifford A. Bunton; María Teresa Garland; Ricardo Baggio","3-(Triphenylphosphoranylidene)pentane-2,4-dione and diethyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2005","61","8","o496","o499","10.1107/S0108270105015064","","","0.71073","MoKα","","0.061","0.0467","","","0.1194","0.1287","","","","","","1.098","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015009","9.789","0.002","20.083","0.004","11.746","0.002","90","","111.52","0.03","90","","2148.2","0.8","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Tri-tert-butylsilanethiolato-κ^2^S:S-bis[(tetrahydrofuran-κO)lithium(I)]","","- C32 H70 Li2 O8 S2 Si2 -","- C32 H70 Li2 O8 S2 Si2 -","- C64 H140 Li4 O16 S4 Si4 -","2","0.5","GG1262","Elżbieta Jesionka; Anna Ciborska; Jaroslaw Chojnacki; Wieslaw Wojnowski","(μ-Tri-<i>tert</i>-butoxysilanethiolato)bis[(tetrahydrofuran)lithium(I)] and <i>catena</i>-poly[[bis(μ-tri-<i>tert</i>-butoxysilanethiolato)dilithium(I)]-μ-dimethoxyethane]: solvent coordination as the structure-forming factor","Acta Crystallographica Section C","2005","61","7","m321","m323","10.1107/S0108270105015076","","","0.71073","MoKα","","0.1079","0.0612","","","0.1952","0.2203","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015010","8.721","0.002","9.305","0.002","14.048","0.003","82.24","0.03","72.91","0.03","64.01","0.03","979.4","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[bis(μ-tri-tert-butylsilanethiolato)-1:2κ^2^S;1κS:2κS,O- dilithium(I)]-μ-dimethoxyethane-κ^2^O:O']","","- C28 H64 Li2 O8 S2 Si2 -","- C28 H64 Li2 O8 S2 Si2 -","- C28 H64 Li2 O8 S2 Si2 -","1","0.5","GG1262","Elżbieta Jesionka; Anna Ciborska; Jaroslaw Chojnacki; Wieslaw Wojnowski","(μ-Tri-<i>tert</i>-butoxysilanethiolato)bis[(tetrahydrofuran)lithium(I)] and <i>catena</i>-poly[[bis(μ-tri-<i>tert</i>-butoxysilanethiolato)dilithium(I)]-μ-dimethoxyethane]: solvent coordination as the structure-forming factor","Acta Crystallographica Section C","2005","61","7","m321","m323","10.1107/S0108270105015076","","","0.71073","MoKα","","0.0523","0.0486","","","0.1252","0.1273","","","","","","1.054","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2015011","8.9906","0.0006","5.2987","0.0004","11.4786","0.0008","90","","97.041","0.002","90","","542.7","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-proline","DL-proline","","- C5 H9 N O2 -","- C5 H9 N O2 -","- C20 H36 N4 O8 -","4","1","GG1265","Myung, Sunnie; Pink, Maren; Baik, Mu-Hyun; Clemmer, David E.","<small>DL</small>-Proline","Acta Crystallographica Section C","2005","61","8","o506","o508","10.1107/S0108270105021001","","","0.71073","MoKα","","0.043","0.0395","","","0.1103","0.1137","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015012","19.2181","0.0006","19.2181","0.0006","10.8347","0.0002","90","","90","","90","","4001.64","0.19","120","2","120","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","10-methyl-8-phenyl-11-(3-pyridyl)-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","1","GG1280","Portilla, Jaime; Serrano, Hugo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Two isomeric 10-methyl-8-phenyl-11-pyridyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines: cyclic hydrogen-bonded tetramers <i>versus</i> isolated molecules","Acta Crystallographica Section C","2005","61","8","o490","o492","10.1107/S0108270105021876","","","0.71073","MoKα","","0.0634","0.041","","","0.0812","0.0892","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015013","18.6288","0.0008","19.1956","0.0008","10.8885","0.0003","90","","90","","90","","3893.6","0.3","120","2","120","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","10-methyl-8-phenyl-11-(4-pyridyl)-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","2","GG1280","Portilla, Jaime; Serrano, Hugo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Two isomeric 10-methyl-8-phenyl-11-pyridyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines: cyclic hydrogen-bonded tetramers <i>versus</i> isolated molecules","Acta Crystallographica Section C","2005","61","8","o490","o492","10.1107/S0108270105021876","","","0.71073","MoKα","","0.1002","0.0647","","","0.1372","0.1519","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015014","9.706","0.005","12.141","0.005","17.753","0.005","90","","120.372","0.017","90","","1804.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-ethyl-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-pyrazoline-1-thiocarboxamide","","- C19 H20 F N3 O S -","- C19 H20 F N3 O S -","- C76 H80 F4 N12 O4 S4 -","4","1","GG1282","Yavuz Köysal; Şamil Işık; Gülay Şahin; Erhan Palaska","Two <i>N</i>-substituted 3,5-diphenyl-2-pyrazoline-1-thiocarboxamides","Acta Crystallographica Section C","2005","61","9","o542","o544","10.1107/S0108270105023255","","","0.71073","MoKα","","0.0474","0.0337","","","0.0867","0.0915","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015015","9.4191","0.0017","12.2032","0.0011","14.673","0.002","90","","103.063","0.014","90","","1642.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-fluorophenyl)-N-methyl-5-(4-methylphenyl)-2-pyrazoline-1-thiocarboxamide","","- C18 H18 F N3 S -","- C18 H18 F N3 S -","- C72 H72 F4 N12 S4 -","4","1","GG1282","Yavuz Köysal; Şamil Işık; Gülay Şahin; Erhan Palaska","Two <i>N</i>-substituted 3,5-diphenyl-2-pyrazoline-1-thiocarboxamides","Acta Crystallographica Section C","2005","61","9","o542","o544","10.1107/S0108270105023255","","","0.71073","MoKα","","0.0562","0.0432","","","0.1222","0.1397","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015016","6.6037","0.0005","11.3935","0.001","30.143","0.002","90","","90","","90","","2267.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-dichlorobis[(1R,2R,3R,5S)-(-)-isopinocampheylamine]palladium(II)","trans-dichlorobis[(1R,2R,3R,5S)-(-)-2,6,6-trimethylbicyclo[3.1.1]heptan-3- amine]palladium(II)","","- C20 H38 Cl2 N2 Pd -","- C20 H38 Cl2 N2 Pd -","- C80 H152 Cl8 N8 Pd4 -","4","1","GZ1007","Vázquez, Jaime; Bernès, Sylvain; Meléndez, Ruth; Portillo, Roberto; Gutiérrez, René","Conformational change induced by hydration: <i>trans</i>-dichlorobis[(1<i>R</i>,2<i>R</i>,3<i>R</i>,5<i>S</i>)-(‒)-isopinocampheylamine]palladium(II) and <i>trans</i>-dichlorobis[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-isopinocampheylamine]palladium(II) hemihydrate","Acta Crystallographica Section C","2005","61","9","m424","m427","10.1107/S0108270105024315","","","0.71073","MoKα","","0.0436","0.0357","","","0.0829","0.0866","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015017","6.6873","0.0008","13.427","0.002","28.159","0.004","90","","90","","90","","2528.4","0.6","296","2","296","2","","","","","","","","6","I 2 2 2","I 2 2","23","trans-dichlorobis[(1S,2S,3S,5R)-(+)-isopinocampheylamine]palladium(II) hemihydrate","trans-dichlorobis[(1S,2S,3S,5R)-(+)-2,6,6-trimethylbicyclo[3.1.1]heptan-3- amino]palladium(II) hemihydrate","","- C20 H39 Cl2 N2 O0.5 Pd -","- C20 H39 Cl2 N2 O0.5 Pd -","- C80 H156 Cl8 N8 O2 Pd4 -","4","0.5","GZ1007","Vázquez, Jaime; Bernès, Sylvain; Meléndez, Ruth; Portillo, Roberto; Gutiérrez, René","Conformational change induced by hydration: <i>trans</i>-dichlorobis[(1<i>R</i>,2<i>R</i>,3<i>R</i>,5<i>S</i>)-(‒)-isopinocampheylamine]palladium(II) and <i>trans</i>-dichlorobis[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-isopinocampheylamine]palladium(II) hemihydrate","Acta Crystallographica Section C","2005","61","9","m424","m427","10.1107/S0108270105024315","","","0.71073","MoKα","","0.0492","0.0404","","","0.1055","0.1142","","","","","","1.105","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015018","12.566","0.005","12.566","0.005","38.708","0.005","90","0.005","90","0.005","90","0.005","6112","4","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","pIsodApC","4-amino-1-(6-O-{[2-(6-aminopurin-9-yl)-6-O-hydroxy(oxido)phosphoryl-1,2,5- trideoxy-3-furanosyl]oxidophosphoryl}-1,5-dideoxy-1-furanosyl)pyrimidin- 2(1H)-one 6.5 hydrate","","- C19 H39 N8 O19.5 P2 -","- C19 H39 N8 O19.5 P2 -","- C152 H312 N64 O156 P16 -","8","1","HJ1051","M. Gary Newton; Charles F. Campana; Guo-Chen Chi; Doowon Lee; Zhi-Jie Liu; Vasu Nair; James Phillips; John P. Rose; B.-C. Wang","A non-natural dinucleotide containing an isomeric <small>L</small>-related deoxynucleoside: dinucleotide inhibitors of anti-HIV integrase activity","Acta Crystallographica Section C","2005","61","8","o518","o520","10.1107/S0108270105019037","","","1.54178","CuKα","","0.047","0.0469","","","0.1241","0.1243","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015019","25.486","0.003","4.8964","0.0013","12.605","0.003","90","","99.44","0.03","90","","1551.7","0.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfonamide","N-acetyl-4-[(2-hydroxybenzylidene)amino]benzensulfonamide monohydrate","","- C15 H16 N2 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","1","HJ1053","Chumakov, Yurii M.; Tsapkov, Victor I.; Bocelli, Gabriele; Antosyak, Boris Ya.","<i>N</i>-Acetyl-4-[(2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate and <i>N</i>-acetyl-4-[(5-bromo-2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate","Acta Crystallographica Section C","2005","61","7","o460","o463","10.1107/S0108270105017853","","","0.71073","MoKα","","0.0954","0.0544","","","0.1008","0.1133","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015020","26.858","0.003","4.855","0.002","12.708","0.003","90","","91.428","0.012","90","","1656.6","0.8","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sulfonamide","N-acetyl-4-[(5-bromo-2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate","","- C15 H15 Br N2 O5 S -","- C15 H15 Br N2 O5 S -","- C60 H60 Br4 N8 O20 S4 -","4","1","HJ1053","Chumakov, Yurii M.; Tsapkov, Victor I.; Bocelli, Gabriele; Antosyak, Boris Ya.","<i>N</i>-Acetyl-4-[(2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate and <i>N</i>-acetyl-4-[(5-bromo-2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate","Acta Crystallographica Section C","2005","61","7","o460","o463","10.1107/S0108270105017853","","","0.71073","MoKα","","0.0438","0.0334","","","0.0815","0.0847","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015021","22.751","0.009","14.016","0.006","13.36","0.01","90","","90","","90","","4260","4","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua[N,N'-bis(5-methoxysalicylidene)ethylenediaminato- κ^4^O,N,N',O']manganese(III) perchlorate","","- C18 H22 Cl Mn N2 O10 -","- C18 H22 Cl Mn N2 O10 -","- C144 H176 Cl8 Mn8 N16 O80 -","8","1","HJ1056","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[<i>N</i>,<i>N</i>'-bis(5-methoxysalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate, aqua[<i>N</i>,<i>N</i>'-bis(3,5-dichlorosalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-κ<i>O</i>)manganese(III) perchlorate and bis[μ-<i>N</i>,<i>N</i>'-bis(3-methoxysalicylidene)ethylenediaminato-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>]bis[(methanol-κ<i>O</i>)manganese(III)] diperchlorate","Acta Crystallographica Section C","2005","61","7","m324","m328","10.1107/S0108270105013545","","","0.71073","MoKα","","0.0889","0.0559","","","0.1518","0.1738","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015022","8.072","0.005","21.27","0.01","13.712","0.007","90","","106.01","0.06","90","","2263","2","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aqua[N,N'-bis(3,5-dichlorosalicylidene)ethylendiaminato- κ^4^O,N,N',O'](methanol-κO)manganese(III) perchlorate","","- C17 H16 Cl5 Mn N2 O8 -","- C17 H16 Cl5 Mn N2 O8 -","- C68 H64 Cl20 Mn4 N8 O32 -","4","1","HJ1056","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[<i>N</i>,<i>N</i>'-bis(5-methoxysalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate, aqua[<i>N</i>,<i>N</i>'-bis(3,5-dichlorosalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-κ<i>O</i>)manganese(III) perchlorate and bis[μ-<i>N</i>,<i>N</i>'-bis(3-methoxysalicylidene)ethylenediaminato-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>]bis[(methanol-κ<i>O</i>)manganese(III)] diperchlorate","Acta Crystallographica Section C","2005","61","7","m324","m328","10.1107/S0108270105013545","","","0.71073","MoKα","","0.0562","0.0459","","","0.1293","0.1372","","","","","","1.037","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015023","15.226","0.006","13.026","0.004","10.865","0.004","90","","99.58","0.03","90","","2124.8","1.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[μ-N,N'-bis(3-methoxysalicylidene)ethylenediaminato- κ^5^O,N,N',O':O]bis[(methanol-κO)manganese(III)] diperchlorate","","- C38 H44 Cl2 Mn2 N4 O18 -","- C38 H44 Cl2 Mn2 N4 O18 -","- C76 H88 Cl4 Mn4 N8 O36 -","2","0.5","HJ1056","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[<i>N</i>,<i>N</i>'-bis(5-methoxysalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate, aqua[<i>N</i>,<i>N</i>'-bis(3,5-dichlorosalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-κ<i>O</i>)manganese(III) perchlorate and bis[μ-<i>N</i>,<i>N</i>'-bis(3-methoxysalicylidene)ethylenediaminato-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>]bis[(methanol-κ<i>O</i>)manganese(III)] diperchlorate","Acta Crystallographica Section C","2005","61","7","m324","m328","10.1107/S0108270105013545","","","0.71073","MoKα","","0.0413","0.0345","","","0.0962","0.1011","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015024","8.4695","0.0018","20.686","0.004","10.269","0.002","90","","93.655","0.003","90","","1795.5","0.6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3a,6a-Diphenylglycoluril hydrogen sulfate","cis-1,5-Diphenyl-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione hydrogen sulfate 5-oxo-3a,6a-diphenylperhydroimidazo[4,5-d]imidazol-2-yloxonium hydrogen sulfate","","- C16 H16 N4 O6 S -","- C16 H16 N4 O6 S -","- C64 H64 N16 O24 S4 -","4","1","HJ1059","Huo, Fang-Jun; Yin, Cai-Xia; Yang, Pin","An oxonium hydrogen sulfate of 3a,6a-diphenylglycoluril","Acta Crystallographica Section C","2005","61","8","o500","o502","10.1107/S0108270105019530","","","0.71073","MoKα","","0.0859","0.0773","","","0.1453","0.149","","","","","","1.281","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015025","6.5951","0.0008","13.492","0.0013","7.2032","0.0009","90","","113.084","0.012","90","","589.63","0.13","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2'-Dimethyl-4,5'-dinitro-1H,3'H-1,4'-biimidazole monohydrate","","- C8 H10 N6 O5 -","- C8 H10 N6 O5 -","- C16 H20 N12 O10 -","2","1","HJ1060","Kubicki, Maciej","2,2'-Dimethyl-4,5'-dinitro-1<i>H</i>,3'<i>H</i>-1,4'-biimidazole monohydrate","Acta Crystallographica Section C","2005","61","8","o512","o514","10.1107/S0108270105020913","","","0.71073","MoKα","","0.0617","0.0345","","","0.045","0.0492","","","","","","0.835","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015026","10.1163","0.0002","8.588","0.004","10.3823","0.0006","90","","118.39","0.03","90","","793.5","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","potassium cerium bis(sulfate) monohydrate","","- Ce H2 K O9 S2 -","- Ce H2 K O9 S2 -","- Ce4 H8 K4 O36 S8 -","4","1","IZ1048","Jemmali, Mosbah; Walha, Siwar; Ben Hassen, Rached; Petricek Vaclac","Potassium cerium(III) bis(sulfate) monohydrate, KCe(SO~4~)~2~·H~2~O","Acta Crystallographica Section C","2005","61","7","i73","i75","10.1107/S0108270105006219","","","0.71069","MoKα","","0.0501","0.0202","","","0.0486","0.0548","","","","","","1.18","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015027","5.7155","0.00005","11.2429","0.0001","25.2146","0.0002","90","","90","","90","","1620.26","0.02","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","pentalanthanum hexamolybdenum henicosaoxide","","- La5 Mo6 O21 -","- La5 Mo6 O21 -","- La20 Mo24 O84 -","4","1","IZ1055","Gall, P.; Gougeon, P.","La~5~Mo~6~O~21~: a novel ternary reduced molybdenum oxide containing {Mo^IV^}~3~ clusters and isolated Mo^V^ centres","Acta Crystallographica Section C","2005","61","7","i69","i70","10.1107/S0108270105015386","","","0.71069","MoKα","","0.0418","0.036","","","0.0841","0.0875","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015028","7.8026","0.0005","7.8026","0.0005","14.188","0.0009","90","","90","","90","","863.77","0.1","293","2","293","2","","","","","","","","2","P 4/n c c :2","-P 4a 2ac","130","","pentasamarium trigallium","","- Ga3 Sm5 -","- Ga3 Sm5 -","- Ga12 Sm20 -","4","0.25","IZ1058","Feng, Guo-Hua; Lacroix-Orio, Laurence; Tillard, Monique; Belin, Claude","Sm~5~Ga~3~","Acta Crystallographica Section C","2005","61","7","i71","i72","10.1107/S0108270105017324","","","0.71073","MoKα","","0.026","0.026","","","0.0554","0.0554","","","","","","1.519","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015029","5.5","0.001","5.72","0.001","6.685","0.001","98.9","0.03","94.6","0.03","107.55","0.03","196.3","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","indium arsenate hydrate","indium arsenate(V) monohydrate","","- As H2 In O5 -","- As H2 In O5 -","- As2 H4 In2 O10 -","2","1","IZ1060","Kolitsch, Uwe; Schwendtner, Karolina","Octahedral‒tetrahedral framework structures of InAsO~4~·H~2~O and PbIn(AsO~4~)(AsO~3~OH)","Acta Crystallographica Section C","2005","61","9","i86","i89","10.1107/S0108270105022894","","","0.71073","MoKα","","0.0128","0.0125","","","0.0329","0.0331","","","","","","1.197","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015030","4.955","0.001","8.591","0.002","15.874","0.003","90","","92.38","0.03","90","","675.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","lead indium arsenate","lead(II) indium arsenate(V) hydrogen arsenate(V)","","- As2 H In O8 Pb -","- As2 In O8 Pb -","- As8 In4 O32 Pb4 -","4","1","IZ1060","Kolitsch, Uwe; Schwendtner, Karolina","Octahedral‒tetrahedral framework structures of InAsO~4~·H~2~O and PbIn(AsO~4~)(AsO~3~OH)","Acta Crystallographica Section C","2005","61","9","i86","i89","10.1107/S0108270105022894","","","0.71073","MoKα","","0.0696","0.0469","","","0.11","0.1209","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015031","9.627","0.003","9.627","0.003","12.601","0.004","90","","90","","120","","1011.4","0.5","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Silver(I) trimercury(II) antimonate(V)","","- Ag Hg3 O6 Sb -","- Ag Hg3 O6 Sb -","- Ag6 Hg18 O36 Sb6 -","6","0.166667","IZ1063","Klein, Wilhelm; Jansen, Martin","Silver(I) trimercury(II) antimonate(V), AgHg~3~SbO~6~","Acta Crystallographica Section C","2005","61","9","i94","i95","10.1107/S0108270105024625","","","0.71073","MoKα","","0.049","0.0358","","","0.0578","0.0604","","","","","","0.848","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015032","11.805","0.002","6.021","0.001","8.749","0.002","90","","111.63","0.03","90","","578.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(glycine) nickel(II) dibromide dihydrate","catena-poly[[[diaquanickel(II)]-di-μ-glycine] dibromide]","","- C4 H14 Br2 N2 Ni O6 -","- C4 H14 Br2 N2 Ni O6 -","- C8 H28 Br4 N4 Ni2 O12 -","2","0.5","JZ1726","Michel Fleck; Ladislav Bohatý","Two novel glycine metal halogenides: <i>catena</i>-poly[[[diaquanickel(II)]-di-μ-glycine] dibromide] and <i>catena</i>-poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]","Acta Crystallographica Section C","2005","61","9","m412","m416","10.1107/S0108270105023619","","","0.71073","MoKα","","0.0347","0.0258","","","0.0516","0.0551","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015033","10.587","0.002","12.899","0.003","7.714","0.002","90","","90","","90","","1053.4","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Glycine magnesium(II) dichloride tetrahydrate","catena-Poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]","","- C2 H13 Cl2 Mg N O6 -","- C2 H13 Cl2 Mg N O6 -","- C8 H52 Cl8 Mg4 N4 O24 -","4","0.5","JZ1726","Michel Fleck; Ladislav Bohatý","Two novel glycine metal halogenides: <i>catena</i>-poly[[[diaquanickel(II)]-di-μ-glycine] dibromide] and <i>catena</i>-poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]","Acta Crystallographica Section C","2005","61","9","m412","m416","10.1107/S0108270105023619","","","0.71073","MoKα","","0.0315","0.0278","","","0.0736","0.0766","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015034","14.0875","0.0006","9.7613","0.0004","17.5858","0.0008","90","","100.106","0.003","90","","2380.74","0.18","291","0.3","291","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2-[(2,3-Dichlorophenyl)amino]benzoato-κO}di-μ~2~-ethoxo-octamethyldi- μ~3~-oxo-tetratin(IV)","","- C38 H50 Cl4 N2 O8 Sn4 -","- C38 H50 Cl4 N2 O8 Sn4 -","- C76 H100 Cl8 N4 O16 Sn8 -","2","0.5","JZ1743","Kruszynski, Rafal; Bartczak, Tadeusz J.","Bis{μ-2-[(2,3-dichlorophenyl)amino]benzoato-κ<i>O</i>}di-μ~2~-ethoxo-octamethyldi-μ~3~-oxo-tetratin(IV)","Acta Crystallographica Section C","2005","61","9","m439","m441","10.1107/S0108270105025989","","","0.71073","MoKα","","0.0343","0.0273","","","0.0594","0.063","","","","","","1.149","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015035","9.447","0.0016","6.6805","0.0009","10.6102","0.0017","90","","98.563","0.009","90","","662.15","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-6-methylsulfanyl-1H- pyrazolo[3,4-d]pyrimidine","","- C11 H15 N5 O3 S -","- C11 H15 N5 O3 S -","- C22 H30 N10 O6 S2 -","2","1","JZ1745","Seela, Frank; Jawalekar, Anup M.; Budow, Simone; Eickmeier, Henning","8-Aza-7-deaza-2'-deoxy-2-(methylsulfanyl)adenosine","Acta Crystallographica Section C","2005","61","9","o562","o564","10.1107/S0108270105024327","","","0.71073","MoKα","","0.0535","0.0507","","","0.1541","0.1625","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015036","26.118","0.003","7.8131","0.0009","19.881","0.002","90","","127.005","0.001","90","","3239.8","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benzene-1,2,3-tricarboxylic acid‒4,4'-bipyridine (1/1)","","- C19 H14 N2 O6 -","- C19 H14 N2 O6 -","- C152 H112 N16 O48 -","8","1","JZ1752","Miao Du; Zhi-Hui Zhang; Yan-Ping You","Co-crystallization of hemimellitic acid with 4,4'-bipyridine forming a pillar-layered hydrogen-bonded network","Acta Crystallographica Section C","2005","61","9","o574","o576","10.1107/S0108270105026442","","","0.71073","MoKα","","0.0549","0.0409","","","0.1232","0.1329","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015037","10.4938","0.0006","18.9715","0.0007","17.8707","0.0011","90","","98.221","0.005","90","","3521.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(η^5^-cyclopentadienyl)(4-nitrobenzonitrile-κN)(trimethylphosphine- κP)(triphenylphosphite-κP)iron(II) hexafluorophosphate","","- C33 H33 F6 Fe N2 O5 P3 -","- C33 H33 F6 Fe N2 O5 P3 -","- C132 H132 F24 Fe4 N8 O20 P12 -","4","1","OB1231","Duarte, M. Teresa; Piedade, M. Fátima M.; Robalo, M. Paula; Teixeira, António P. S.; Garcia, M. Helena","A supramolecular zigzag chain of organometallic dipoles mediated by PF~6~^{-^} anions","Acta Crystallographica Section C","2005","61","8","m386","m389","10.1107/S0108270105021281","","","1.5418","CuKα","","0.1227","0.0644","","","0.1222","0.1497","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015038","7.587","0.001","14.746","0.002","13.692","0.002","90","","92.53","0.02","90","","1530.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-azido-bis{[1-(pyridin-2-ylmethyliminomethyl)-2-naphtholato]zinc(II)}","","- C34 H26 N10 O2 Zn2 -","- C34 H26 N10 O2 Zn2 -","- C68 H52 N20 O4 Zn4 -","2","0.5","OB1242","You, Zhong-Lu","Di-μ-azido-bis{[1-(2-pyridylmethyliminomethyl)-2-naphtholato]zinc(II)}","Acta Crystallographica Section C","2005","61","9","m432","m434","10.1107/S0108270105026260","","","0.71073","MoKα","","0.0662","0.0457","","","0.1095","0.12","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015039","19.336","0.003","8.2864","0.0013","8.659","0.0014","90","","98.435","0.003","90","","1372.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","O,O'-dimethyl N,N'-(m-phenylenedicarbonyl)dithiocarbamate","","- C12 H12 N2 O4 S2 -","- C12 H12 N2 O4 S2 -","- C48 H48 N8 O16 S8 -","4","0.5","RB1007","Blewett, Gavin; Bredenkamp, Martin W.; Koch, Klaus R.","Polymorphism in bipodal <i>O</i>,<i>O</i>'-dimethyl <i>N</i>,<i>N</i>'-(<i>m</i>-phenylenedicarbonyl)bis(thiocarbamate)","Acta Crystallographica Section C","2005","61","7","o469","o472","10.1107/S0108270105018494","","","0.71073","MoKα","","0.0522","0.0454","","","0.1145","0.119","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015040","6.3603","0.0013","7.7016","0.0015","14.255","0.003","92.496","0.003","97.952","0.003","103.496","0.003","670.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(methoxythiocarbonyl)isophthalamide","","- C12 H12 N2 O4 S2 -","- C12 H12 N2 O4 S2 -","- C24 H24 N4 O8 S4 -","2","1","RB1007","Blewett, Gavin; Bredenkamp, Martin W.; Koch, Klaus R.","Polymorphism in bipodal <i>O</i>,<i>O</i>'-dimethyl <i>N</i>,<i>N</i>'-(<i>m</i>-phenylenedicarbonyl)bis(thiocarbamate)","Acta Crystallographica Section C","2005","61","7","o469","o472","10.1107/S0108270105018494","","","0.71073","MoKα","","0.0798","0.0687","","","0.1447","0.1495","","","","","","1.258","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015041","3.8671","0.0004","14.8937","0.0017","7.6363","0.0009","90","","93.742","0.002","90","","438.88","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[(2,2'-biimidazole-κ^2^N,N')chlorocopper(II)]-μ-chloro]","","- C6 H6 Cl2 Cu N4 -","- C6 H6 Cl2 Cu N4 -","- C12 H12 Cl4 Cu2 N8 -","2","1","RB1010","Mao-Lin Hu; Xiao-Qing Cai; Jiu-Xi Chen","<i>catena</i>-Poly[[(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')chlorocopper(II)]-μ-chloro]","Acta Crystallographica Section C","2005","61","9","m403","m405","10.1107/S0108270105022511","","","0.71073","MoKα","","0.057","0.0529","","","0.1015","0.1029","","","","","","1.189","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015042","8.8037","0.0008","12.1484","0.0015","12.9823","0.0017","75.275","0.011","81.075","0.009","80.746","0.009","1315.9","0.3","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","(E)-4-Methoxybenzaldehyde O-(N-phenylcarbamoyl)oxime","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","2","SF1002","Kubicki, Maciej","(<i>E</i>)-4-Methoxybenzaldehyde <i>O</i>-(<i>N</i>-phenylcarbamoyl)oxime","Acta Crystallographica Section C","2005","61","7","o422","o423","10.1107/S0108270105014952","","","0.71073","MoKα","","0.1164","0.0525","","","0.1024","0.1278","","","","","","0.94","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015043","18.4449","0.0005","9.0987","0.0003","18.675","0.0005","90","","90.535","0.002","90","","3133.99","0.16","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","catena-poly[bromotetrakis(μ2-tert-butoxo)- bis(tetrahydrofuran-?O)iron(III)dilithium]","","- C24 H52 Br Fe Li2 O6 -","- C24 H52 Br Fe Li2 O6 -","- C96 H208 Br4 Fe4 Li8 O24 -","4","1","SF1003","Barley, Helen R. L.; Kennedy, Alan R.; Mulvey, Robert E.","A mixed iron(III)/lithium alkoxide","Acta Crystallographica Section C","2005","61","7","m346","m347","10.1107/S0108270105017555","","","0.71073","MoKα","","0.0422","0.0293","","","0.0638","0.0696","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015044","7.633","0.003","15.272","0.006","5.744","0.002","90","","90","","90","","669.6","0.4","98","2","98","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Poly[sodium(I)-μ~2~-tetraethoxyborato]","","- C8 H20 B Na O4 -","- C8 H20 B Na O4 -","- C16 H40 B2 Na2 O8 -","2","0.5","SF1008","Gainsford, Graeme J.; Kemmitt, Tim","<i>catena</i>-Poly[sodium(I)-μ-tetraethoxyborato]","Acta Crystallographica Section C","2005","61","9","m417","m418","10.1107/S0108270105024121","","","0.71073","MoKα","","0.0826","0.0555","","","0.0972","0.1052","","","","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015045","8.4715","0.0017","7.5679","0.0015","11.953","0.002","90","","92.56","0.03","90","","765.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Bis(1,3-diaminopropane-κ^2^N,N')(dicyanamido-κN')copper(II) perchlorate","","- C8 H20 Cl Cu N7 O4 -","- C8 H20 Cl Cu N7 O4 -","- C16 H40 Cl2 Cu2 N14 O8 -","2","0.5","SK1838","Burčák, Milan; Potočňák, Ivan; Massa, Werner; Jäger, Lothar","Low-dimensional compounds containing cyano groups. XII. Bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')(dicyanamido-κ<i>N</i>)copper(II) perchlorate","Acta Crystallographica Section C","2005","61","7","m353","m355","10.1107/S0108270105016768","","","0.71073","MoKα","","0.0437","0.039","","","0.106","0.1092","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015046","12.076","0.002","6.757","0.002","17.875","0.002","90","","101.88","0.01","90","","1427.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[{4-bromo-2-[2- (dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-azido]","","- C11 H14 Br Cu N5 O -","- C11 H14 Br Cu N5 O -","- C44 H56 Br4 Cu4 N20 O4 -","4","1","SK1843","You, Zhong-Lu","<i>catena</i>-Poly[[{4-bromo-2-[2-(dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-azido]","Acta Crystallographica Section C","2005","61","7","m339","m341","10.1107/S0108270105016240","","","0.71073","MoKα","","0.0399","0.029","","","0.0721","0.0771","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015047","22.4142","0.0015","3.8614","0.0002","14.6957","0.001","90","","107.423","0.003","90","","1213.56","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-iodo-N-(2-nitrobenzylidene)aniline","","- C52 H36 I4 N8 O8 -","- C52 H36 I4 N8 O8 -","- C52 H36 I4 N8 O8 -","1","0.125","SK1846","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Solvent-dependent polymorphism in isomeric <i>N</i>-(nitrobenzylidene)iodoanilines","Acta Crystallographica Section C","2005","61","7","o445","o449","10.1107/S0108270105016239","","","0.71073","MoKα","","0.0544","0.0433","","","0.1034","0.1071","","","","","","1.152","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015048","12.683","0.0007","14.9491","0.0008","6.8707","0.0004","90","","97.849","0.001","90","","1290.48","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-iodo-N-(3-nitrobenzylidene)aniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","SK1846","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Solvent-dependent polymorphism in isomeric <i>N</i>-(nitrobenzylidene)iodoanilines","Acta Crystallographica Section C","2005","61","7","o445","o449","10.1107/S0108270105016239","","","0.71073","MoKα","","0.0893","0.0388","","","0.0685","0.0819","","","","","","0.894","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015049","12.5676","0.0004","7.8818","0.0002","13.511","0.0004","90","","109.633","0.0013","90","","1260.53","0.06","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-iodo-N-(2-nitrobenzylidene)aniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","2","SK1846","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Solvent-dependent polymorphism in isomeric <i>N</i>-(nitrobenzylidene)iodoanilines","Acta Crystallographica Section C","2005","61","7","o445","o449","10.1107/S0108270105016239","","","0.71073","MoKα","","0.0263","0.025","","","0.0657","0.0669","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015050","11.1485","0.0012","12.3739","0.0015","11.7412","0.0012","90","","108.894","0.006","90","","1532.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,7,7-Trimethyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-5-one","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","SK1847","Mera, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","A monoclinic polymorph of 3,7,7-trimethyl-1-phenyl-5,6,7,8-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolin-5-one","Acta Crystallographica Section C","2005","61","7","o442","o444","10.1107/S0108270105016501","","","0.71073","MoKα","","0.1282","0.0651","","","0.1505","0.1792","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015051","13.2882","0.0007","6.8383","0.0004","15.1947","0.0008","90","","104.018","0.003","90","","1339.6","0.13","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-methyl-2-(4-methylphenyl)-7,8-dihydro-6H- cyclopenta[g]pyrazolo[1,5-a]pyrimidine","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","1","SK1849","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, and sheets of π-stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","2005","61","7","o452","o456","10.1107/S0108270105016720","","","0.71073","MoKα","","0.1461","0.0639","","","0.1399","0.1751","","","","","","1.014","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015052","13.68","0.0011","6.6669","0.0006","15.201","0.0016","90","","106.98","0.006","90","","1325.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6H- cyclopenta[g]pyrazolo[1,5-a]pyrimidine","","- C16 H14 Cl N3 -","- C16 H14 Cl N3 -","- C64 H56 Cl4 N12 -","4","1","SK1849","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, and sheets of π-stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","2005","61","7","o452","o456","10.1107/S0108270105016720","","","0.71073","MoKα","","0.0959","0.0558","","","0.1245","0.1405","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015053","13.5387","0.0006","6.8551","0.0002","15.2767","0.0007","90","","105.708","0.002","90","","1364.87","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-bromophenyl)-5-methyl-7,8-dihydro-6H- cyclopenta[g]pyrazolo[1,5-a]pyrimidine","","- C16 H14 Br N3 -","- C16 H14 Br N3 -","- C64 H56 Br4 N12 -","4","1","SK1849","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, and sheets of π-stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","2005","61","7","o452","o456","10.1107/S0108270105016720","","","0.71073","MoKα","","0.0563","0.0369","","","0.0881","0.0957","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015054","9.4691","0.0003","8.1711","0.0002","18.0278","0.0006","90","","95.343","0.0014","90","","1388.8","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-methoxyphenyl)-5-methyl- 7,8-dihydro-6H-cyclopenta[g]pyrazolo[1,5-a]pyrimidine","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","SK1849","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, and sheets of π-stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","2005","61","7","o452","o456","10.1107/S0108270105016720","","","0.71073","MoKα","","0.0584","0.0424","","","0.1169","0.1261","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015055","10.3792","0.0004","13.6412","0.0006","9.8265","0.0004","90","","107.383","0.0011","90","","1327.74","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Iodo-N-(4-nitrophenyl)benzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","SK1850","Garden, Simon J.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Iodo-<i>N</i>-(4-nitrophenyl)benzamide forms hydrogen-bonded sheets of <i>R</i>~4~^4^(24) rings","Acta Crystallographica Section C","2005","61","7","o450","o451","10.1107/S0108270105017312","","","0.71073","MoKα","","0.0863","0.0582","","","0.168","0.1879","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015056","11.7121","0.0012","10.1984","0.001","11.9712","0.0012","90","","93.438","0.002","90","","1427.3","0.2","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(ethylenediaminium) diniobium trioxide octafluoride","","- C4 H20 F8 N4 Nb2 O3 -","- C4 H20 F8 N4 Nb2 O3 -","- C16 H80 F32 N16 Nb8 O12 -","4","1","SK1851","Nicholas F. Stephens; Philip Lightfoot","Ethylenediaminium niobium oxyfluoride","Acta Crystallographica Section C","2005","61","7","m344","m345","10.1107/S0108270105018032","","","0.71073","MoKα","","0.0262","0.0232","","","0.0591","0.0604","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015057","5.958","0.004","12.854","0.004","7.06","0.011","90","","100.26","0.07","90","","532","0.9","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-(2-Pyridyl)pyridinium perchlorate","","- C10 H9 Cl N2 O4 -","- C10 H9 Cl N2 O4 -","- C20 H18 Cl2 N4 O8 -","2","1","SK1853","Kavitha, S. Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","2-(2-Pyridyl)pyridinium perchlorate, redetermined at 120K: complex hydrogen-bonded sheets","Acta Crystallographica Section C","2005","61","8","o473","o474","10.1107/S0108270105018810","","","0.71073","MoKα","","0.0536","0.0436","","","0.1079","0.1152","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015058","7.087","0.0002","10.1321","0.0004","11.7977","0.0005","87.501","0.002","73.171","0.003","74.828","0.002","782.13","0.05","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","8-methyl-10-phenyl-6,10-dihydro-5H-benzo[h]pyrazolo[3,4-b]quinoline","","- C21 H17 N3 -","- C21 H17 N3 -","- C42 H34 N6 -","2","1","SK1854","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Effect of substitution on the dimensionality of supramolecular aggregation in dihydrobenzopyrazoloquinolines","Acta Crystallographica Section C","2005","61","8","o483","o489","10.1107/S0108270105020093","","","0.71073","MoKα","","0.06","0.0433","","","0.1045","0.1135","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015059","11.5561","0.0004","17.6751","0.0007","9.8469","0.0003","90","","98.599","0.002","90","","1988.67","0.12","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-methyl-7,10-diphenyl-6,10-dihydro-5H-benzo[h]pyrazolo[3,4-b]quinoline","","- C27 H21 N3 -","- C27 H21 N3 -","- C108 H84 N12 -","4","1","SK1854","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Effect of substitution on the dimensionality of supramolecular aggregation in dihydrobenzopyrazoloquinolines","Acta Crystallographica Section C","2005","61","8","o483","o489","10.1107/S0108270105020093","","","0.71073","MoKα","","0.0788","0.0477","","","0.1132","0.1264","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015060","12.0313","0.0003","14.3347","0.0004","12.7956","0.0003","90","","109.309","0.0014","90","","2082.66","0.09","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-methyl-7-(4-methylphenyl)-10-phenyl-6,10-dihydro-5H- benzo[h]pyrazolo[3,4-b]quinoline","","- C28 H23 N3 -","- C28 H23 N3 -","- C112 H92 N12 -","4","1","SK1854","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Effect of substitution on the dimensionality of supramolecular aggregation in dihydrobenzopyrazoloquinolines","Acta Crystallographica Section C","2005","61","8","o483","o489","10.1107/S0108270105020093","","","0.71073","MoKα","","0.0806","0.0504","","","0.1128","0.1289","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015061","12.9148","0.0003","17.5938","0.0005","9.8192","0.0002","90","","104.337","0.0017","90","","2161.64","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-(4-methoxyphenyl)-8-methyl-10-phenyl-6,10-dihydro-5H- benzo[h]pyrazolo[3,4-b]quinoline","","- C28 H23 N3 O -","- C28 H23 N3 O -","- C112 H92 N12 O4 -","4","1","SK1854","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Effect of substitution on the dimensionality of supramolecular aggregation in dihydrobenzopyrazoloquinolines","Acta Crystallographica Section C","2005","61","8","o483","o489","10.1107/S0108270105020093","","","0.71073","MoKα","","0.0793","0.044","","","0.0979","0.1122","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015062","38.419","0.003","6.8061","0.0004","28.813","0.003","90","","117.115","0.012","90","","6706.1","1.2","122","1","122","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E,E,E)-1,3,5-Tris[4-(acetylsulfanyl)styryl]benzene toluene hemisolvate","","- C39.5 H34 O3 S3 -","- C39.5 H34 O3 S3 -","- C316 H272 O24 S24 -","8","1","SK1855","Henning Osholm Sørensen; Magnus Magnussen; Nicolai Stuhr-Hansen","(<i>E</i>,<i>E</i>,<i>E</i>)-1,3,5-Tris[4-(acetylsulfanyl)styryl]benzene toluene hemisolvate","Acta Crystallographica Section C","2005","61","8","o503","o505","10.1107/S0108270105020949","","","0.71073","MoKα","","0.0672","0.0481","","","0.113","0.1247","","","","","","1.087","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015063","7.668","0.002","13.691","0.003","14.698","0.003","90","","90","","90","","1543","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II)","","- C11 H15 Cl2 N3 O3 Zn -","- C11 H15 Cl2 N3 O3 Zn -","- C44 H60 Cl8 N12 O12 Zn4 -","4","1","SK1856","You, Zhong-Lu","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II) in unsolvated and hemihydrate forms","Acta Crystallographica Section C","2005","61","8","m383","m385","10.1107/S0108270105020767","","","0.71073","MoKα","","0.0509","0.0429","","","0.0799","0.0838","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015064","12.181","0.002","12.312","0.002","12.596","0.002","66.673","0.001","70.632","0.001","69.149","0.001","1580.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II) hemihydrate","","- C11 H16 Cl2 N3 O3.5 Zn -","- C11 H16 Cl2 N3 O3.5 Zn -","- C44 H64 Cl8 N12 O14 Zn4 -","4","2","SK1856","You, Zhong-Lu","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II) in unsolvated and hemihydrate forms","Acta Crystallographica Section C","2005","61","8","m383","m385","10.1107/S0108270105020767","","","0.71073","MoKα","","0.0629","0.0435","","","0.1162","0.1276","","","","","","0.991","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015065","31.4722","0.0012","31.4722","0.0012","3.656","0.0001","90","","90","","90","","3621.3","0.2","120","2","120","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Glyoxal 4-nitrophenylhydrazone","","- C8 H7 N3 O3 -","- C8 H7 N3 O3 -","- C128 H112 N48 O48 -","16","1","SK1857","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Glyoxal 4-nitrophenylhydrazone: triple helices linked into a three-dimensional channel structure","Acta Crystallographica Section C","2005","61","8","o493","o495","10.1107/S0108270105020834","","","0.71073","MoKα","","0.0484","0.0368","","","0.0933","0.0975","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015066","18.5438","0.001","7.2746","0.0003","19.8774","0.0011","90","","106.578","0.004","90","","2570","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[aquabis(1,10-phenanthroline-κ^2^N,N')lead(II)]- μ~1,2,3~-squarato-κO:O':O''] dihydrate]","","- C28 H22 N4 O7 Pb -","- C28 H22 N4 O7 Pb -","- C112 H88 N16 O28 Pb4 -","4","1","SK1858","Uçar, İbrahim; Bulut, Ahmet; Kazak, Canan","A bicapped trigonal‒prismatic lead complex: <i>catena</i>-poly[[[aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]-μ-squarato-κ<i>O</i>^1^:κ^2^<i>O</i>^2^,<i>O</i>^3^] dihydrate]","Acta Crystallographica Section C","2005","61","9","m428","m431","10.1107/S0108270105024613","","","0.71073","MoKα","","0.0337","0.0272","","","0.0665","0.0684","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015067","8.286","0.001","8.946","0.001","11.971","0.002","110.019","0.002","92.705","0.002","91.482","0.002","832","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","di-μ-thiocyanato-bis((methanol){4-nitro-2-[2- (dimethylamino)ethyliminomethyl]phenolato}cadmium(II)]","","- C26 H36 Cd2 N8 O8 S2 -","- C26 H36 Cd2 N8 O8 S2 -","- C26 H36 Cd2 N8 O8 S2 -","1","0.5","SK1859","You, Zhong-Lu; Zhu, Hai-Liang","A novel thiocyanate-bridged dinuclear cadmium(II) complex: di-μ-thiocyanato-bis((methanol){4-nitro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}cadmium(II))","Acta Crystallographica Section C","2005","61","8","m397","m399","10.1107/S0108270105021906","","","0.71073","MoKα","","0.0255","0.0245","","","0.0615","0.0623","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015068","11.7286","0.0003","7.0215","0.0002","23.7552","0.0006","90","","100.263","0.0012","90","","1925","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-benzylidenene-2-thioxothiazolidin-4-one","","- C10 H7 N O S2 -","- C10 H7 N O S2 -","- C80 H56 N8 O8 S16 -","8","2","SK1860","Delgado, Paula; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Supramolecular structures of four (<i>Z</i>)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets","Acta Crystallographica Section C","2005","61","8","o477","o482","10.1107/S0108270105021888","","","0.71073","MoKα","","0.0654","0.0376","","","0.0841","0.0951","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015069","4.9428","0.0001","20.0473","0.0008","10.7834","0.0004","90","","90.753","0.002","90","","1068.43","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methylbenzylidenene)-2-thioxothiazolidin-4-one","","- C11 H9 N O S2 -","- C11 H9 N O S2 -","- C44 H36 N4 O4 S8 -","4","1","SK1860","Delgado, Paula; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Supramolecular structures of four (<i>Z</i>)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets","Acta Crystallographica Section C","2005","61","8","o477","o482","10.1107/S0108270105021888","","","0.71073","MoKα","","0.0413","0.033","","","0.0816","0.0861","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015070","5.2859","0.0002","6.2263","0.0003","17.1885","0.0008","91.753","0.002","95.326","0.003","90.129","0.003","562.99","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(Z)-2-thioxo-5-(4-trifluoromethylbenzylidenene)thiazolidin-4-one","","- C11 H6 F3 N O S2 -","- C11 H6 F3 N O S2 -","- C22 H12 F6 N2 O2 S4 -","2","1","SK1860","Delgado, Paula; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Supramolecular structures of four (<i>Z</i>)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets","Acta Crystallographica Section C","2005","61","8","o477","o482","10.1107/S0108270105021888","","","0.71073","MoKα","","0.0482","0.0376","","","0.0968","0.1026","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015071","5.1314","0.0002","10.4543","0.0005","20.5324","0.0009","90","","91.702","0.002","90","","1100.98","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methoxybenzylidenene)-2-thioxothiazolidin-4-one","","- C11 H9 N O2 S2 -","- C11 H9 N O2 S2 -","- C44 H36 N4 O8 S8 -","4","1","SK1860","Delgado, Paula; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Supramolecular structures of four (<i>Z</i>)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets","Acta Crystallographica Section C","2005","61","8","o477","o482","10.1107/S0108270105021888","","","0.71073","MoKα","","0.0557","0.0379","","","0.0952","0.103","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015072","10.9576","0.0005","16.8316","0.001","30.2015","0.0017","90","","90","","90","","5570.2","0.5","294","1","294","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","4-dimethylsulfido-3-iodo-3-triphenylphosphine-closo-3-pallada- 1,2-dicarbadodecaborane","","- C22 H31 B9 I P Pd S -","- C22 H31 B9 I P Pd S -","- C176 H248 B72 I8 P8 Pd8 S8 -","8","1","SK1861","Ferguson, George; Gallagher, John F.; Kennedy, John D.; O'Connell, Donnacha P.; Patterson, Jennifer C.; Spalding, Trevor R.","Twisted [(<i>R</i>~3~P)Pd<i>X</i>] groups above dicarbaborane ligands: 4-dimethylsulfido-3-iodo-3-triphenylphosphine-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane and 3-dimethylphenylphosphine-3-chloro-4-dimethylsulfido-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane","Acta Crystallographica Section C","2005","61","8","m393","m396","10.1107/S0108270105022286","","","0.71073","MoKα","","0.1083","0.0367","","","0.1112","0.1621","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015073","12.8117","0.0008","9.267","0.0007","18.2948","0.001","90","","96.567","0.005","90","","2157.8","0.2","294","1","294","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","3-dimethylphenylphosphine- 3-chloro-4-dimethylsulfido-closo-3-pallada-1,2-dicarbadodecaborane","","- C12 H27 B9 Cl P Pd S -","- C12 H27 B9 Cl P Pd S -","- C48 H108 B36 Cl4 P4 Pd4 S4 -","4","1","SK1861","Ferguson, George; Gallagher, John F.; Kennedy, John D.; O'Connell, Donnacha P.; Patterson, Jennifer C.; Spalding, Trevor R.","Twisted [(<i>R</i>~3~P)Pd<i>X</i>] groups above dicarbaborane ligands: 4-dimethylsulfido-3-iodo-3-triphenylphosphine-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane and 3-dimethylphenylphosphine-3-chloro-4-dimethylsulfido-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane","Acta Crystallographica Section C","2005","61","8","m393","m396","10.1107/S0108270105022286","","","0.71073","MoKα","","0.0405","0.024","","","0.0589","0.0637","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015074","9.4395","0.0002","13.1565","0.0003","10.9581","0.0002","90","","90","","90","","1360.9","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)leucine","","- C11 H17 N5 O4 -","- C11 H17 N5 O4 -","- C44 H68 N20 O16 -","4","1","SK1862","Arranz Mascarós, Paloma; Godino Salido, M. Luz; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)leucine: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2005","61","9","o548","o550","10.1107/S0108270105024406","","","0.71073","MoKα","","0.0453","0.0398","","","0.1026","0.1063","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015075","22.4197","0.0005","8.9687","0.0002","21.2076","0.0004","90","","117.718","0.0011","90","","3774.99","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,2RS)-N,N'-Bis(4-nitrophenylmethylene)cyclohexane-1,2-diamine","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C160 H160 N32 O32 -","8","2","SK1864","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(1<i>RS</i>,2<i>RS</i>)-<i>N</i>,<i>N</i>'-Bis(4-nitrophenylmethylene)cyclohexane-1,2-diamine: complex sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2005","61","9","o551","o554","10.1107/S0108270105024443","","","0.71073","MoKα","","0.0748","0.0475","","","0.1159","0.1289","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015076","8.4969","0.0007","12.6309","0.0009","13.5716","0.0009","76.537","0.006","76.106","0.007","82.191","0.006","1370.14","0.18","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-butyl-N,N'-diisopropylamidinate)dichlorohafnium(IV)","","- C22 H46 Cl2 Hf N4 -","- C22 H46 Cl2 Hf N4 -","- C44 H92 Cl4 Hf2 N8 -","2","1","SQ1201","Andrian P. Milanov; Raghunandan Bhakta; Manuela Winter; Klaus Merz; Anjana Devi","Bis(2-butyl-<i>N</i>,<i>N</i>'-diisopropylamidinato)dichlorohafnium(IV)","Acta Crystallographica Section C","2005","61","7","m370","m372","10.1107/S0108270105016872","","","0.71073","MoKα","","0.042","0.0368","","","0.0869","0.0895","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015077","13.3146","0.0008","5.7488","0.0004","7.1774","0.0006","90","","90","","90","","549.38","0.07","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-aminoethene-1,1,2-tricarbonitrile","","- C5 H2 N4 -","- C5 H2 N4 -","- C20 H8 N16 -","4","1","SQ1210","Tafeenko, Viktor A.; Paseshnichenko, Ksenia A.; Ershov, Oleg V.; Eremkin, Andrey V.; Aslanov, Leonid A.","The twofold interpenetrated three-connected three-dimensional (10,3)-net in 2-aminoethene-1,1,2-tricarbonitrile","Acta Crystallographica Section C","2005","61","7","o434","o437","10.1107/S0108270105016070","","","0.71073","MoKα","","0.0329","0.0316","","","0.0844","0.0851","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015078","6.1028","0.0005","8.801","0.0004","10.1195","0.0006","97.7","0.004","93.71","0.006","101.073","0.006","526.31","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-Benzoylbenzofuran","","- C15 H10 O2 -","- C15 H10 O2 -","- C30 H20 O4 -","2","1","SQ1211","Yilmaz, Veysel T.; Kazak, Canan; Kirilmis, Cumhur; Koca, Murat; Heinemann, Frank W.","C—H···O, C—H···π and π‒π interactions in three benzofuran-2-yl ketone derivatives","Acta Crystallographica Section C","2005","61","7","o438","o441","10.1107/S0108270105016185","","","0.71073","MoKα","","0.0532","0.0395","","","0.0933","0.098","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015079","29.644","0.002","6.2536","0.0005","7.8188","0.0008","90","","105.091","0.006","90","","1399.5","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(5-bromobenzofuran-2-yl) ketone","","- C17 H8 Br2 O3 -","- C17 H8 Br2 O3 -","- C68 H32 Br8 O12 -","4","0.5","SQ1211","Yilmaz, Veysel T.; Kazak, Canan; Kirilmis, Cumhur; Koca, Murat; Heinemann, Frank W.","C—H···O, C—H···π and π‒π interactions in three benzofuran-2-yl ketone derivatives","Acta Crystallographica Section C","2005","61","7","o438","o441","10.1107/S0108270105016185","","","0.71073","MoKα","","0.0249","0.0187","","","0.0405","0.0426","","","","","","1.08","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015080","7.3816","0.0003","8.2874","0.0006","34.591","0.002","90","","95.487","0.005","90","","2106.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-mesityl-3-methylcyclobutyl 3-methylnaphtho[1,2-b]furan-2-yl ketone","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","1","SQ1211","Yilmaz, Veysel T.; Kazak, Canan; Kirilmis, Cumhur; Koca, Murat; Heinemann, Frank W.","C—H···O, C—H···π and π‒π interactions in three benzofuran-2-yl ketone derivatives","Acta Crystallographica Section C","2005","61","7","o438","o441","10.1107/S0108270105016185","","","0.71073","MoKα","","0.06","0.0441","","","0.0993","0.1057","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015081","8.794","0.0004","9.289","0.0004","12.767","0.0013","81.47","0.02","86.4","0.02","65.79","0.02","940.66","0.19","200","","200","","","","","","","","","7","P -1","-P 1","2","","catena-Poly[[cyclo-tetra-μ-chloro-tetracopper(I)]-bis{3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2κN,1η^2^;1'η^2^,2'κN]","","- C34 H36 Cl4 Cu4 N4 O6 S2 -","- C34 H36 Cl4 Cu4 N4 O6 S2 -","- C34 H36 Cl4 Cu4 N4 O6 S2 -","1","0.5","SQ1213","Goreshnik, Evgeny; Karpyak, Volodymyr; Mys'kiv, Marian","<i>catena</i>-Poly[[<i>cyclo</i>-tetra-μ-chlorotetracopper(I)]-bis{μ-3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2κ<i>N</i>,1'η^2^;1η^2^,2'κ<i>N</i>]","Acta Crystallographica Section C","2005","61","8","m390","m392","10.1107/S0108270105020299","","","0.7107","MoKα","","0.0816","0.0548","","","0.1265","0.1614","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015082","5.7396","0.0004","6.0284","0.0004","23.8301","0.0017","83.457","0.001","89.241","0.001","63.154","0.001","730.2","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","R/S-ibuprofen sodium dihydrate","sodium (RS)-α-methyl [4-(isobutyl)phenyl]acetate dihydrate","","- C13 H21 Na O4 -","- C13.012 H20.978 Na O4 -","- C26.024 H41.956 Na2 O8 -","2","1","SQ1215","Zhang, Yue-Gang; Grant, David J. W.","Similarity in structures of racemic and enantiomeric ibuprofen sodium dihydrates","Acta Crystallographica Section C","2005","61","9","m435","m438","10.1107/S0108270105024807","","","0.71073","MoKα","","0.0616","0.0475","","","0.1244","0.1351","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015083","5.7767","0.0005","6.0835","0.0005","23.88","0.002","83.151","0.001","86.482","0.001","61.612","0.001","733.01","0.11","173","2","173","2","","","","","","","","4","P 1","P 1","1","S-ibuprofen sodium dihydrate","sodium S-α-Methyl-4-(isobutyl)phenylacetate dihydrate","","- C13 H21 Na O4 -","- C13 H21 Na O4 -","- C26 H42 Na2 O8 -","2","2","SQ1215","Zhang, Yue-Gang; Grant, David J. W.","Similarity in structures of racemic and enantiomeric ibuprofen sodium dihydrates","Acta Crystallographica Section C","2005","61","9","m435","m438","10.1107/S0108270105024807","","","0.71073","MoKα","","0.0454","0.0402","","","0.1084","0.1131","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015084","4.714","0.001","14.674","0.003","15.162","0.003","90","","93.31","0.03","90","","1047.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","caesium gallium hydrogen arsenate","caesium gallium(III) hydrogen arsenate(V)","","- As3 Cs Ga H5 O12 -","- As3 Cs Ga H5 O12 -","- As12 Cs4 Ga4 H20 O48 -","4","0.5","SQ1217","Schwendtner, Karolina; Kolitsch, Uwe","CsGa(H~1.5~AsO~4~)~2~(H~2~AsO~4~) and isotypic CsCr(H~1.5~AsO~4~)~2~(H~2~AsO~4~): decorated kröhnkite-like chains in two unusual hydrogen arsenates","Acta Crystallographica Section C","2005","61","9","i90","i93","10.1107/S0108270105023243","","","0.71073","MoKα","","0.0277","0.0238","","","0.0643","0.0663","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015085","4.744","0.001","14.625","0.003","15.127","0.003","90","","93.48","0.03","90","","1047.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","caesium chromium hydrogen arsenate","caesium chromium(III) hydrogen arsenate(V)","","- As3 Cr Cs H5 O12 -","- As3 Cr Cs H5 O12 -","- As12 Cr4 Cs4 H20 O48 -","4","0.5","SQ1217","Schwendtner, Karolina; Kolitsch, Uwe","CsGa(H~1.5~AsO~4~)~2~(H~2~AsO~4~) and isotypic CsCr(H~1.5~AsO~4~)~2~(H~2~AsO~4~): decorated kröhnkite-like chains in two unusual hydrogen arsenates","Acta Crystallographica Section C","2005","61","9","i90","i93","10.1107/S0108270105023243","","","0.71073","MoKα","","0.0354","0.0242","","","0.0497","0.0527","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015086","9.0502","0.0012","4.526","0.0003","9.9697","0.0011","90","","98.576","0.004","90","","403.8","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","β-2-aminopyridinium dihydrogenphosphate","","- C5 H9 N2 O4 P -","- C5 H9 N2 O4 P -","- C10 H18 N4 O8 P2 -","2","1","SQ1219","Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A.","A second polymorph of 2-aminopyridinium dihydrogenphosphate","Acta Crystallographica Section C","2005","61","9","o565","o567","10.1107/S0108270105024923","","","0.71073","MoKα","","0.1019","0.0602","","","0.1202","0.1374","","","","","","1.026","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015087","17.2616","0.0017","7.3476","0.0005","15.536","0.0015","90","","101.815","0.008","90","","1928.7","0.3","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-poly[[diaquamanganese(II)]bis(μ-3-hydroxy-2-naphthoato-κ^2^O:O')]","","- C22 H18 Mn O8 -","- C22 H18 Mn O8 -","- C88 H72 Mn4 O32 -","4","1","TA1467","Schmidt, Martin U.; Alig, Edith; Fink, Lothar; Bolte, Michael; Panisch, Robin; Pashchenko, Volodymyr; Wolf, Bernd; Lang, Michael","Magnetic properties of two double-layer structures built from hydroxynaphthoic acids and manganese","Acta Crystallographica Section C","2005","61","7","m361","m364","10.1107/S0108270105015659","","","0.71073","MoKα","","0.0946","0.0872","","","0.3118","0.3159","","","","","","1.214","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015088","6.8188","0.0005","5.2121","0.0003","29.639","0.003","90","","94.917","0.007","90","","1049.5","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetraaquabis(1-hydroxy-2-naphthoato)manganese(II)","","- C22 H22 Mn O10 -","- C22 H22 Mn O10 -","- C44 H44 Mn2 O20 -","2","0.5","TA1467","Schmidt, Martin U.; Alig, Edith; Fink, Lothar; Bolte, Michael; Panisch, Robin; Pashchenko, Volodymyr; Wolf, Bernd; Lang, Michael","Magnetic properties of two double-layer structures built from hydroxynaphthoic acids and manganese","Acta Crystallographica Section C","2005","61","7","m361","m364","10.1107/S0108270105015659","","","0.71073","MoKα","","0.0489","0.0432","","","0.1114","0.1131","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015089","11.4724","0.0014","29.713","0.004","19.495","0.002","90","","92.09","0.002","90","","6641","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(Cp*TiCl)(μ-O)~2~(Cp*Ti)~2~(μ-O)(μ-O)~2~]~2~Ti","dichlorodeca-μ~2~oxo-hexakis(pentamethylcyclopentadienyl)hexatitanium(IV)","","- C60 H90 Cl2 O10 Ti7 -","- C60 H90 Cl2 O10 Ti7 -","- C240 H360 Cl8 O40 Ti28 -","4","1","TA1483","Jie Chen; Ning-Hai Hu; Jie Zhan; Yue-Sheng Li","The new polynuclear titanium(IV) complex [(Cp*TiCl)(μ-O)~2~(Cp*Ti)~2~(μ-O)(μ-O)~2~]~2~Ti (Cp* is η^5^-C~5~Me~5~)","Acta Crystallographica Section C","2005","61","7","m337","m338","10.1107/S0108270105016021","","","0.71073","MoKα","","0.0568","0.043","","","0.1125","0.1214","","","","","","1.021","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015090","8.5841","0.0012","9.0352","0.0012","18.738","0.002","90","","90","","90","","1453.3","0.3","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenyl)-2-methyl-4-nitro-5-(1-piperidyl)-1H-imidazole","","- C15 H17 Cl N4 O2 -","- C15 H17 Cl N4 O2 -","- C60 H68 Cl4 N16 O8 -","4","1","TA1498","Kubicki, Maciej; Wagner, Paweł","1-(4-Chlorophenyl)-2-methyl-4-nitro-5-(1-piperidyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2005","61","8","o509","o511","10.1107/S0108270105021608","","","0.71073","MoKα","","0.042","0.0308","","","0.0518","0.0541","","","","","","0.933","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015091","7.5036","0.0015","17.219","0.003","9.4799","0.0019","90","","96.905","0.003","90","","1216","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","strychninium 3,5-dinitrosalicylate","strychninium 3,5-dinitrosalicylate","","- C28 H26 N4 O9 -","- C28 H26 N4 O9 -","- C56 H52 N8 O18 -","2","1","TA1499","Graham Smith; Urs D. Wermuth; Jonathan M. White","The proton-transfer compounds of strychnine with achiral salicylic acids: strychninium 3,5-dinitrosalicylate and the strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid) adduct","Acta Crystallographica Section C","2005","61","7","o464","o468","10.1107/S0108270105018226","","","0.71073","MoKα","","0.0664","0.0577","","","0.1375","0.1424","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015092","7.5762","0.0009","12.3729","0.0009","20.891","0.004","90","","97.96","0.01","90","","1939.4","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid)","strychninium‒5-nitrosalicylate‒5-nitrosalicylic acid (1/1/2)","","- C42 H37 N5 O17 -","- C42 H37 N5 O17 -","- C84 H74 N10 O34 -","2","1","TA1499","Graham Smith; Urs D. Wermuth; Jonathan M. White","The proton-transfer compounds of strychnine with achiral salicylic acids: strychninium 3,5-dinitrosalicylate and the strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid) adduct","Acta Crystallographica Section C","2005","61","7","o464","o468","10.1107/S0108270105018226","","","1.5418","CuKα","","0.0635","0.056","","","0.1578","0.1675","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015093","8.4778","0.0015","13.085","0.002","6.7562","0.0011","90","","105.001","0.014","90","","723.9","0.2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,6-diaminopyridinium 5-sulfosalicylate monohydrate","2,6-diaminopyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate'","","- C12 H15 N3 O7 S -","- C12 H15 N3 O7 S -","- C24 H30 N6 O14 S2 -","2","1","TA1503","Graham Smith; Urs D. Wermuth; Peter C. Healy","Layered structures in proton-transfer compounds of 5-sulfosalicylic acid with the aromatic polyamines 2,6-diaminopyridine and 1,4-phenylenediamine","Acta Crystallographica Section C","2005","61","9","o555","o558","10.1107/S010827010502439X","","","0.71069","MoKα","","0.053","0.0335","","","0.096","0.112","","","","","","0.886","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015094","6.98","0.0014","9.1573","0.0015","10.849","0.002","84.618","0.014","97.698","0.016","102.879","0.014","668.4","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","1,4-phenylenediaminium 5-sulfosalicylate","1,4-phenylenediaminium 3-carboxylato-4-hydroxybenzenesolfonate","","- C13 H14 N2 O6 S -","- C13 H14 N2 O6 S -","- C26 H28 N4 O12 S2 -","2","1","TA1503","Graham Smith; Urs D. Wermuth; Peter C. Healy","Layered structures in proton-transfer compounds of 5-sulfosalicylic acid with the aromatic polyamines 2,6-diaminopyridine and 1,4-phenylenediamine","Acta Crystallographica Section C","2005","61","9","o555","o558","10.1107/S010827010502439X","","","0.71069","MoKα","","0.0459","0.0395","","","0.1014","0.1113","","","","","","0.826","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015095","19.751","0.0006","17.645","0.0006","17.1978","0.0007","90","","114.982","0.003","90","","5432.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,3-Bis(2-ethoxyphenyl)imidazolidin-2-ylidene]bromo(1,5- cyclooctadiene)rhodium(I)","","- C27 H34 Br N2 O2 Rh -","- C27 H34 Br N2 O2 Rh -","- C216 H272 Br8 N16 O16 Rh8 -","8","2","TR1125","Dinçer, Muharrem; Özdemir, Namık; Günay, M. Emin; Çetinkaya, Bekir; Büyükgüngör, Orhan","[1,3-Bis(2-ethoxyphenyl)imidazolidin-2-ylidene]bromo(cycloocta-1,5-diene)rhodium(I)","Acta Crystallographica Section C","2005","61","8","m373","m375","10.1107/S0108270105013284","","","0.71073","MoKα","","0.0367","0.0262","","","0.0593","0.0617","","","","","","1.019","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015096","8.01","0.002","10.526","0.002","28.685","0.006","90","","90","","90","","2418.5","0.9","173.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Phenyl-1,3,4-thiadiazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-Glucopyranoside","","- C22 H24 N2 O9 S2 -","- C22 H24 N2 O9 S2 -","- C88 H96 N8 O36 S8 -","4","1","TY1004","Zao-Zao Qiu; Xin-Ping Hui; Peng-Fei Xu","5-Phenyl-1,3,4-thiadiazol-2-yl 2,3,4,6-tetra-<i>O</i>-acetyl-1-thio-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2005","61","8","o475","o476","10.1107/S0108270105003951","","","0.7107","MoKα","","","0.0334","","","","0.0463","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015097","9.185","0.0004","5.8294","0.0002","7.9552","0.0003","90","","100.79","0.02","90","","418.41","0.04","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dilanthanum ruthenium pentoxide","","- La2 O5 Ru -","- La2 O5 Ru -","- La8 O20 Ru4 -","4","1","TY1006","Stefan G. Ebbinghaus","High- and low-temperature La~2~RuO~5~ by powder neutron diffraction","Acta Crystallographica Section C","2005","61","9","i96","i98","10.1107/S010827010501509X","","neutron","1.4935","neutron","","0.0258","","","","","","","","1.61","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015098","9.1614","0.0008","5.8075","0.0005","7.9584","0.0008","89.78","0.08","101","0.08","91.76","0.08","415.45","0.13","1.49","0.02","1.49","0.02","","","","","","","","3","P -1","-P 1","2","","dilanthanum ruthenium pentoxide","","- La4 O10 Ru2 -","- La4 O10 Ru2 -","- La8 O20 Ru4 -","2","1","TY1006","Stefan G. Ebbinghaus","High- and low-temperature La~2~RuO~5~ by powder neutron diffraction","Acta Crystallographica Section C","2005","61","9","i96","i98","10.1107/S010827010501509X","","neutron","1.4935","neutron","","0.0179","","","","","","","","1.62","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015099","11.569","0.003","15.152","0.007","17.66","0.008","90","","103.9","0.03","90","","3005","2","296.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Dichlorooxo(quinoline-8-thiolato-κ^2^N,S)(triphenylphosphine oxide-κO)rhenium(V) acetone solvate","","- C30 H27 Cl2 N O3 P Re S -","- C30 H27 Cl2 N O3 P Re S -","- C120 H108 Cl8 N4 O12 P4 Re4 S4 -","4","1","AV1252","Yoshitaro Miyashita; Tetuya Ohashi; Akiomi Imai; Nagina Amir; Kiyoshi Fujisawa; Ken-ichi Okamoto","Dichlorooxo(quinoline-8-thiolato-κ^2^<i>N</i>,<i>S</i>)(triphenylphosphine oxide-κ<i>O</i>)rhenium(V) acetone solvate","Acta Crystallographica Section C","2005","61","11","m476","m478","10.1107/S0108270105027770","","","0.7107","MoKα","","","0.0451","","","","0.1494","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015100","9.0511","0.0011","10.0953","0.0012","10.6586","0.0013","68.849","0.002","81.453","0.002","87.433","0.002","898.18","0.19","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4,6-di-O-benzyl-myo-inositol 1,3,5-orthoformate","","- C21 H22 O6 -","- C21 H22 O6 -","- C42 H44 O12 -","2","1","AV1256","K. Manoj; S. Devaraj; R. G. Gonnade; M. M. Bhadbhade; M. S. Shashidhar","O—H···O-bridged dimers linked <i>via</i> C—H···O and C—H···π interactions in 4,6-di-<i>O</i>-benzyl-<i>myo</i>-inositol 1,3,5-orthoformate","Acta Crystallographica Section C","2005","61","11","o628","o630","10.1107/S0108270105029422","","","0.71073","MoKα","","0.0518","0.0448","","","0.1081","0.1126","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015101","18.202","0.008","5.7","0.002","18.703","0.009","90","","112.091","0.003","90","","1798","1.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[[manganese(III)-di-μ-2-[(2-hydroxyethyl)iminomethyl]phenolato- κ^2^O^1^,N:κO^2^;κO^2^:κ^2^O^1^] chloride]","","- C18 H20 Cl Mn N2 O4 -","- C18 H20 Cl Mn N2 O4 -","- C72 H80 Cl4 Mn4 N8 O16 -","4","0.5","AV1257","Zhang, Li-Fang; Ni, Zhong-Hai; Zong, Zhi-Min; Wei, Xian-Yong; Ge, Chun-Hua; Kou, Hui-Zhong","A novel one-dimensional complex: <i>catena</i>-poly[[manganese(III)-di-μ-2-[(2-hydroxyethyl)iminomethyl]phenolato-κ^2^<i>O</i>^1^,<i>N</i>:κ<i>O</i>^2^;κ<i>O</i>^2^:κ^2^<i>O</i>^1^] chloride]","Acta Crystallographica Section C","2005","61","12","m542","m544","10.1107/S0108270105034219","","","0.7107","MoKα","","0.0524","0.0449","","","0.1002","0.1027","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015102","8.3589","0.0005","11.9903","0.0007","24.1438","0.0014","75.507","0.005","86.063","0.005","77.418","0.005","2286.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Bromo-2-{[4-(3-mesityl-3-methylcyclobutyl)thiazol-2- yl]hydrazonomethyl}phenol","","- C24 H26 Br N3 O S -","- C24 H26 Br N3 O S -","- C96 H104 Br4 N12 O4 S4 -","4","2","AV1259","Mustafa Serkan Soylu; Nezihe Çalışkan; Alaaddin Çukurovali; Ibrahim Yılmaz; Orhan Büyükgüngör","4-Bromo-2-{[4-(3-mesityl-3-methylcyclobutyl)thiazol-2-yl]hydrazonomethyl}phenol, with N—H···N, C—H···π and π‒π interactions","Acta Crystallographica Section C","2005","61","12","o725","o727","10.1107/S0108270105034724","","","0.71073","MoKα","","0.0716","0.0408","","","0.0883","0.0987","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015103","20.8934","0.0004","14.24","0.0003","22.8886","0.0004","90","","110.014","0.001","90","","6398.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3-Trimethoxy-5,11-dihydroindolo[1,2-b]isoquinoline-5,11-dione","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C304 H240 N16 O80 -","16","4","AV1262","M. Yogavel; D. Velmurugan; W. G. Rajeswaran; P. C. Srinivasan; H.-K. Fun","1,2,3-Trimethoxy-5,11-dihydroindolo[1,2-<i>b</i>]isoquinoline-5,11-dione","Acta Crystallographica Section C","2005","61","12","o715","o717","10.1107/S0108270105035158","","","0.71073","MoKα","","0.1423","0.0677","","","0.1674","0.2099","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015104","11.191","0.003","12.1156","0.0011","12.6742","0.001","90","","90","","90","","1718.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","mercury(II) (-)-sparteine dichloride","Dichloro[(6R,7S,8S,14S)-(-)-sparteine-κ^2^N,N']mercury(II)","","- C15 H26 Cl2 Hg N2 -","- C15 H26 Cl2 Hg N2 -","- C60 H104 Cl8 Hg4 N8 -","4","1","AV1265","Choi, Sung-Nak; Kim, Sang-Yub; Ryu, Hae-Wook; Lee, Yong-Min","Dichloro[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>S</i>)-(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']mercury(II)","Acta Crystallographica Section C","2005","61","12","m504","m506","10.1107/S0108270105033858","","","0.71073","MoKα","","0.0768","0.0454","","","0.0739","0.0821","","","","","","1.008","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015105","26.1571","0.0008","15.3971","0.0005","7.1673","0.0002","90","","101.078","0.002","90","","2832.8","0.15","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-formato-1κ^2^O:2κ^2^O'-di-μ-pyridin-2-olato-1κO:2κN;1κN:2κO- bis[(2-pyridone-κO)copper(II)] acetonitrile 1.02-solvate","","- C24.04 H23.06 Cu2 N5.02 O8 -","- C24.04 H23.06 Cu2 N5.02 O8 -","- C96.16 H92.24 Cu8 N20.08 O32 -","4","0.5","AV1269","Lea Glažar; Marjeta Radišek; Primož Šegedin; Amalija Golobič","Di-μ-formato-1κ^2^<i>O</i>:2κ^2^<i>O</i>'-di-μ-pyridin-2-olato-1κ<i>O</i>:2κ<i>N</i>;1κ<i>N</i>:2κ<i>O</i>-bis[(2-pyridone-κ<i>O</i>)copper(II)] acetonitrile 1.02-solvate","Acta Crystallographica Section C","2005","61","12","m526","m528","10.1107/S0108270105033871","","","0.71073","MoKα","","0.066","0.05","","0.048","","0.044","","","1.093","","","1.131","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015106","12.816","0.003","6.4045","0.0005","10.5889","0.0008","90","","90","","90","","869.1","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","potassium titanyl phosphate","","- K2 O10 P2 Ti2 -","- K2 O10 P2 Ti2 -","- K8 O40 P8 Ti8 -","4","1","BC1075","Stefan T. Norberg; Nobuo Ishizawa","K-site splitting in KTiOPO~4~ at room temperature","Acta Crystallographica Section C","2005","61","10","i99","i102","10.1107/S0108270105027010","","","0.75052","synchrotron","","0.02","0.019","","0.026","0.025","0.025","","","1.016","","","0.996","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015107","9.9128","0.0004","10.783","0.0003","13.4209","0.0005","90","","90","","90","","1434.56","0.09","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium copper(II) bis(dihydrogendiphosphate) dihydrate","","- Cu H8 K2 O16 P4 -","- Cu H8 K2 O16 P4 -","- Cu4 H32 K8 O64 P16 -","4","0.5","BC1079","Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla","K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra","Acta Crystallographica Section C","2005","61","12","i120","i124","10.1107/S0108270105036656","","","0.71069","MoKα","","0.0437","0.0243","","","0.062","0.0713","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015108","9.9117","0.0003","10.7736","0.0003","13.4219","0.0005","90","","90","","90","","1433.25","0.08","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium nickel(II) bis(dihydrogendiphosphate) dihydrate","","- H8 K2 Ni O16 P4 -","- H8 K2 Ni O16 P4 -","- H32 K8 Ni4 O64 P16 -","4","0.5","BC1079","Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla","K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra","Acta Crystallographica Section C","2005","61","12","i120","i124","10.1107/S0108270105036656","","","0.71069","MoKα","","0.0276","0.0252","","","0.0866","0.0894","","","","","","1.31","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015109","9.7699","0.0002","10.9749","0.0003","13.4201","0.0003","90","","90","","90","","1438.95","0.06","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium zinc(II) bis(dihydrogendiphosphate) dihydrate","","- H8 K2 O16 P4 Zn -","- H8 K2 O16 P4 Zn -","- H32 K8 O64 P16 Zn4 -","4","0.5","BC1079","Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla","K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra","Acta Crystallographica Section C","2005","61","12","i120","i124","10.1107/S0108270105036656","","","0.71069","MoKα","","0.0347","0.0301","","","0.0877","0.0904","","","","","","1.74","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015110","8.6165","0.0002","7.4725","0.0001","9.2811","0.0003","90","","92.746","0.002","90","","596.89","0.03","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","dipotassium tetrachromate(VI)","dipotassium tetrachromium(VI) tridecaoxide","","- Cr4 K2 O13 -","- Cr4 K2 O13 -","- Cr8 K4 O26 -","2","1","BC1081","Barbara M. Casari; Vratislav Langer","Dipotassium tetrachromate(VI), K~2~Cr~4~O~13~","Acta Crystallographica Section C","2005","61","12","i117","i119","10.1107/S0108270105035833","","","0.71073","MoKα","","0.0707","0.0478","","","0.0929","0.1052","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015111","9.5257","0.0006","5.6597","0.0003","12.4288","0.0007","90","","96.779","0.003","90","","665.38","0.07","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[N-(2-hydroxyethyl)-β-alaninato]copper(II)","","- C10 H20 Cu N2 O6 -","- C10 H20 Cu N2 O6 -","- C20 H40 Cu2 N4 O12 -","2","0.5","BG1015","Pestov, Alexander V.; Peresypkina, Eugenia V.; Virovets, Alexander V.; Podberezskaya, Nina V.; Yatluk, Yury G.; Skorik, Yury A.","Bis[<i>N</i>-(2-hydroxyethyl)-β-alaninato]copper(II)","Acta Crystallographica Section C","2005","61","12","m510","m512","10.1107/S0108270105033780","","","0.71073","MoKα","","0.043","0.027","","","0.0624","0.0694","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015112","7.0984","0.0009","25.139","0.003","7.937","0.001","90","","97.034","0.006","90","","1405.7","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(methylammonium) octaantimony(III) dodecasulfide persulfide","","- C H6 N S7 Sb4 -","- C H6 N S7 Sb4 -","- C4 H24 N4 S28 Sb16 -","4","1","BG1018","Lees, Rachel J. E.; Powell, Anthony V.; Chippindale, Ann M.","Methylammonium antimony sulfide","Acta Crystallographica Section C","2005","61","12","m516","m518","10.1107/S0108270105032361","","","0.71073","MoKα","","0.0308","0.0241","","0.03","0.0272","0.0272","","","","","","1.0779","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015113","12.028","0.002","7.428","0.0015","22.062","0.004","90","","90","","90","","1971.1","0.6","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[strontium(II)-μ~2~-aqua-μ~5~-4-carboxylatophenoxyacetato]","","- C9 H8 O6 Sr -","- C9 H8 O6 Sr -","- C72 H64 O48 Sr8 -","8","1","BG1021","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[strontium(II)-μ~2~-aqua-μ~5~-4-carboxylatophenoxyacetato]","Acta Crystallographica Section C","2005","61","12","m523","m525","10.1107/S0108270105034554","","","0.71073","MoKα","","0.0409","0.0285","","","0.0585","0.0625","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015114","7.2228","0.0011","24.518","0.003","5.033","0.0007","90","","120.521","0.01","90","","767.8","0.2","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","4,5-Bis(furoylsulfanyl)-1,3-dithiolane-2-thione","","- C13 H6 O4 S5 -","- C13 H6 O4 S5 -","- C26 H12 O8 S10 -","2","0.5","BM1613","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Wang, Yan-Ling; Li, Ting-Bin; Guo, Wen-Feng","4,5-Bis(furoylsulfanyl)-1,3-dithiole-2-thione","Acta Crystallographica Section C","2005","61","10","o583","o585","10.1107/S0108270105026053","","","0.71069","MoKα","","0.0495","0.0349","","","0.0814","0.0907","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015115","7.9415","0.0009","22.123","0.003","8.9747","0.001","90","","103.606","0.002","90","","1532.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-dpknph","β-di-2-pyridyl ketone 4-nitrophenylhydrazone","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C68 H52 N20 O8 -","4","1","BM1616","Bakir, Mohammed; Conry, Rebecca R.; Green, Orville","Polymorphic di-2-pyridyl ketone 4-nitrophenylhydrazone (dpknph): the structure of β-dpknph","Acta Crystallographica Section C","2005","61","10","o607","o609","10.1107/S0108270105027320","","","0.71073","MoKα","","0.0898","0.0409","","","0.083","0.095","","","","","","0.867","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015116","5.7562","0.0001","11.2464","0.0001","12.1365","0.0001","90","","98.162","0.001","90","","777.716","0.017","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(2-hydroxyphenyl)-2-oxazoline","2-(4,5-dihydro-1,3-oxazol-2-yl)phenol","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","DN1097","Vratislav Langer; Miroslav Koóš; Dalma Gyepesová; Mariana Sládkovičová; Jozef Lustoň; Juraj Kronek","Three isomeric forms of hydroxyphenyl-2-oxazoline: 2-(2-hydroxyphenyl)-2-oxazoline, 2-(3-hydroxyphenyl)-2-oxazoline and 2-(4-hydroxyphenyl)-2-oxazoline","Acta Crystallographica Section C","2005","61","10","o602","o606","10.1107/S0108270105027812","","","0.71073","MoKα","","0.0451","0.0395","","","0.1129","0.119","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015117","11.365","0.0002","12.5867","0.0001","11.2966","0.0002","90","","99.534","0.001","90","","1593.63","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(3-hydroxyphenyl)-2-oxazoline","3-(4,5-dihydro-1,3-oxazol-2-yl)phenol","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C72 H72 N8 O16 -","8","2","DN1097","Vratislav Langer; Miroslav Koóš; Dalma Gyepesová; Mariana Sládkovičová; Jozef Lustoň; Juraj Kronek","Three isomeric forms of hydroxyphenyl-2-oxazoline: 2-(2-hydroxyphenyl)-2-oxazoline, 2-(3-hydroxyphenyl)-2-oxazoline and 2-(4-hydroxyphenyl)-2-oxazoline","Acta Crystallographica Section C","2005","61","10","o602","o606","10.1107/S0108270105027812","","","0.71073","MoKα","","0.083","0.0681","","","0.1646","0.1746","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015118","4.7778","0.0001","14.9883","0.0002","10.9194","0.0001","90","","95.945","0.001","90","","777.74","0.02","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(4-hydroxyphenyl)-2-oxazoline","4-(4,5-dihydro-1,3-oxazol-2-yl)phenol","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","DN1097","Vratislav Langer; Miroslav Koóš; Dalma Gyepesová; Mariana Sládkovičová; Jozef Lustoň; Juraj Kronek","Three isomeric forms of hydroxyphenyl-2-oxazoline: 2-(2-hydroxyphenyl)-2-oxazoline, 2-(3-hydroxyphenyl)-2-oxazoline and 2-(4-hydroxyphenyl)-2-oxazoline","Acta Crystallographica Section C","2005","61","10","o602","o606","10.1107/S0108270105027812","","","0.71073","MoKα","","0.0707","0.0467","","","0.1183","0.1327","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015119","14.8955","0.0005","20.3681","0.001","24.9276","0.0011","90","","106.169","0.003","90","","7263.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane [7,13,21,27-tetraphenyl-3,17- dioxapentacyclo[23.3.1.1^5,9^.1^11,15^.1^9,23^]ditriaconta- 1(29),5,7,9(30),11(31),12,14,19(32),20,22,25,27-dodecaene-29,30,31,32- tetraolato]dioxouranium dimethylsulfoxide trisolvate","","- C78 H96 N2 O17 S3 U -","- C78 H96 N2 O17 S3 U -","- C312 H384 N8 O68 S12 U4 -","4","1","DN1098","Masci, Bernardo; Levi Mortera, Stefano; Thuéry, Pierre","Inclusion of diprotonated [2.2.2]cryptand in the cavity of uranyl-complexed <i>p</i>-phenyltetrahomodioxacalix[4]arene","Acta Crystallographica Section C","2005","61","11","m482","m484","10.1107/S0108270105030581","","","0.71073","MoKα","","0.0745","0.0524","","","0.1348","0.1458","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015120","9.0924","0.0005","9.0924","0.0005","5.2862","0.0008","90","","90","","120","","378.47","0.06","290","","290","","","","","","","","","3","P 63","P 6c","173","","Gallium tris(iodate)","","- Ga I3 O9 -","- Ga I3 O9 -","- Ga2 I6 O18 -","2","0.333333","EM1002","Chen, Xuean; Xue, Hai-Ping; Chang, Xi-Nan; Zang, He-Gui; Xiao, Wei-Qiang","Gallium tris(iodate), Ga(IO~3~)~3~","Acta Crystallographica Section C","2005","61","11","i109","i110","10.1107/S0108270105029835","","","0.71073","MoKα","","0.0166","0.0158","","","0.0365","0.0367","","","","","","1.271","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015121","7.3004","0.001","32.252","0.004","6.5364","0.0007","90","","91.145","0.015","90","","1538.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Calcium Benzoate","catena-poly[[[diaquacalcium(I)]-μ-aqua-μ-benzoato-κ^4^O:O,O':O'] benzoate]","","- C14 H16 Ca O7 -","- C14 H16 Ca O7 -","- C56 H64 Ca4 O28 -","4","1","FA1149","Senkovska, Irena; Thewalt, Ulf","Triaquabenzoatocalcium(II) monobenzoate: coordination polymer chains linked into a two-dimensional framework by hydrogen bonds","Acta Crystallographica Section C","2005","61","10","m448","m449","10.1107/S0108270105027484","","","0.71073","MoKα","","0.0378","0.0268","","","0.0601","0.0625","","","","","","0.971","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015122","7.7238","0.0002","5.90226","0.00017","10.4499","0.0003","90","","90","","90","","476.39","0.02","300","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0552","","","","","","","","0.6283","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015123","7.69999","0.00015","5.86734","0.00011","10.4039","0.0002","90","","90","","90","","470.032","0.016","200","","200","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0473","","","","","","","","0.7255","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015124","7.6902","0.00013","5.84889","0.00009","10.37848","0.00017","90","","90","","90","","466.815","0.013","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0474","","","","","","","","0.8259","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015125","7.68265","0.00011","5.83059","0.00008","10.35278","0.00015","90","","90","","90","","463.746","0.011","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.037","","","","","","","","0.8161","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015126","7.67874","0.00009","5.81248","0.00007","10.32788","0.00012","90","","90","","90","","460.959","0.009","50","","50","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.033","","","","","","","","0.8982","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015127","7.67735","0.0001","5.80377","0.00008","10.31316","0.00013","90","","90","","90","","459.529","0.01","1.5","","1.5","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0357","","","","","","","","0.9134","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015128","4.1002","0.0004","36.118","0.004","8.3164","0.0008","90","","103.157","0.002","90","","1199.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(RS)-1,2,3,4-tetrahydroazulene-2,6-dicarboxylic acid 6-ethyl ester","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","FA1151","Hussain, Zakir; Oeser, Thomas; Hopf, Henning","(<i>RS</i>)-6-Ethyl 2-carboxy-1,2,3,4-tetrahydroazulene-6-carboxylate","Acta Crystallographica Section C","2005","61","11","o652","o653","10.1107/S0108270105029744","","","0.71073","MoKα","","0.0674","0.0612","","","0.1326","0.1359","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015129","5.886","0.0002","10.4741","0.0004","20.2724","0.0008","81.09","0.002","89.223","0.002","80.845","0.002","1218.92","0.08","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","(Z)-2-(3-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","2","FA1156","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(3-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section C","2005","61","11","o660","o661","10.1107/S0108270105030593","","","1.54178","CuKα","","0.05","0.0416","","","0.111","0.1141","","","","","","0.972","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015130","10.3202","0.001","7.4068","0.0008","11.2845","0.0011","90","","105.505","0.005","90","","831.19","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(dimethylamino)benzoic acid","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","2","FA1157","Aakeröy, Christer B; Desper, John; Levin, Brock","Two new polymorphs of 4-(<i>N</i>,<i>N</i>-dimethylamino)benzoic acid","Acta Crystallographica Section C","2005","61","12","o702","o704","10.1107/S0108270105035122","","","0.71073","MoKα","","0.0775","0.0468","","","0.118","0.1322","","","","","","0.957","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015131","9.6507","0.0011","9.8918","0.0011","10.0082","0.001","76.118","0.006","67.655","0.007","69.334","0.009","820.61","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-(dimethylamino)benzoic acid","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","2","FA1157","Aakeröy, Christer B; Desper, John; Levin, Brock","Two new polymorphs of 4-(<i>N</i>,<i>N</i>-dimethylamino)benzoic acid","Acta Crystallographica Section C","2005","61","12","o702","o704","10.1107/S0108270105035122","","","0.71073","MoKα","","0.1056","0.0521","","","0.1235","0.1419","","","","","","0.851","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015132","14.6634","0.0012","10.896","0.0006","13.6985","0.0011","90","","110.866","0.006","90","","2045.1","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,9-Dimethyl-1,10-phenanthroline-κ^2^,N.N')(dipicolinato- κ^3^O^2^,N,O^6^)copper(II) trihydrate","","- C21 H21 Cu N3 O7 -","- C21 H21 Cu N3 O7 -","- C84 H84 Cu4 N12 O28 -","4","1","FA1158","Ibrahim Uçar; Ahmet Bulut; Orhan Büyükgüngör","(2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II) trihydrate","Acta Crystallographica Section C","2005","61","11","m479","m481","10.1107/S010827010503146X","","","0.71073","MoKα","","0.0641","0.0421","","","0.098","0.1066","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015133","14.802","0.003","8.6144","0.0018","17.832","0.004","90","","90","","90","","2273.8","0.8","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Bis[(2-pyridyl)(2-pyridylamino)methanolato]cobalt(III) perchlorate","","- C22 H20 Cl Co N6 O6 -","- C22 H20 Cl Co N6 O6 -","- C88 H80 Cl4 Co4 N24 O24 -","4","1","FA1161","Adams, Harry; Shongwe, Musa S.; Al-Bahri, Ibtisam; Al-Busaidi, Eiman; Morris, Michael J.","Bis[(2-pyridyl)(2-pyridylamino)methanolato]cobalt(III) perchlorate: a consequence of cobalt ion-assisted oxidative deamination of a tris(pyridyl)aminal ligand","Acta Crystallographica Section C","2005","61","12","m497","m500","10.1107/S0108270105033913","","","0.71073","MoKα","","0.0668","0.0599","","","0.1543","0.1593","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015134","6.863","0.006","39.81","0.03","13.527","0.011","90","","93.276","0.015","90","","3690","5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Benzene-1,3-dicarboxylic acid‒4-methylpyridine (1/2)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","2","FG1861","Zhi-Min Jin; Hai Feng; Li Li; Mao-Lin Hu","Hydrogen bonding and π‒π interactions in a laminar structure: benzene-1,3-dicarboxylic acid‒4-methylpyridine (1/2)","Acta Crystallographica Section C","2005","61","10","o593","o595","10.1107/S0108270105026181","","","0.71073","MoKα","","0.0787","0.0652","","","0.1617","0.1733","","","","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015135","14.6984","0.0003","5.0061","0.0001","21.1204","0.0005","90","","96.5502","0.0012","90","","1543.93","0.06","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","methyl α-lactoside","methyl 4-O-β-D-galactopyranosyl-α-D-glucopyranoside","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","FG1865","Pan, Qingfeng; Noll, Bruce C.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl α-<small>D</small>-glucopyranoside (methyl α-lactoside)","Acta Crystallographica Section C","2005","61","12","o674","o677","10.1107/S0108270105033706","","","0.71073","MoKα","","0.0336","0.0321","","","0.0867","0.0947","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015136","10.2345","0.0002","10.2345","0.0002","7.0799","0.0003","90","","90","","120","","642.23","0.03","180","2","180","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","catena-Poly[sodium [[tricyanatozinc(II)]-μ-1,4-diazobicyclo[2.2.2]octane-κ^2^N:N']]","","- C9 H12 N5 Na O3 Zn -","- C9 H12 N5 Na O3 Zn -","- C18 H24 N10 Na2 O6 Zn2 -","2","0.0833333","FG1873","Bond, Andrew D.; McKenzie, Christine J.","One-dimensional zinc-based coordination polymers incorporating cyanate anions","Acta Crystallographica Section C","2005","61","12","m519","m522","10.1107/S0108270105033962","","","0.71073","MoKα","","0.0322","0.0306","","","0.0756","0.0762","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015137","14.388","0.001","16.483","0.002","26.438","0.003","90","","90.024","0.006","90","","6270","1.1","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[dicyanatozinc(II)]-μ-4,4'-bipyridine-κ^2^N:N']","","- C12 H8 N4 O2 Zn -","- C12 H8 N4 O2 Zn -","- C240 H160 N80 O40 Zn20 -","20","5","FG1873","Bond, Andrew D.; McKenzie, Christine J.","One-dimensional zinc-based coordination polymers incorporating cyanate anions","Acta Crystallographica Section C","2005","61","12","m519","m522","10.1107/S0108270105033962","","","0.71073","MoKα","","0.2055","0.0707","","","0.1601","0.2209","","","","","","0.894","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015138","8.7941","0.0018","17.45","0.004","11.007","0.002","90","","98.174","0.016","90","","1671.9","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro- 4H-chromene-3-carbonitrile","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","FG1879","Vladimir N. Nesterov; Victor P. Kislyi; Joseph L. Sabutis; Volodymyr V. Nesterov; David J. Wiedenfeld; Victor V. Semenov","2-Amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile and 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5<i>H</i>-chromen-5-one hemihydrate","Acta Crystallographica Section C","2005","61","12","o741","o744","10.1107/S0108270105037078","","","0.71073","MoKα","","0.0441","0.0359","","","0.0893","0.0937","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015139","28.461","0.005","9.456","0.002","15.86","0.003","90","","122.819","0.011","90","","3587.1","1.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-amino-4-(2-methoxyphenyl)-7,7- dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-chromen-5-one hemihydrate","","- C18 H21 N2 O5.5 -","- C18 H21 N2 O5.5 -","- C144 H168 N16 O44 -","8","1","FG1879","Vladimir N. Nesterov; Victor P. Kislyi; Joseph L. Sabutis; Volodymyr V. Nesterov; David J. Wiedenfeld; Victor V. Semenov","2-Amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile and 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5<i>H</i>-chromen-5-one hemihydrate","Acta Crystallographica Section C","2005","61","12","o741","o744","10.1107/S0108270105037078","","","0.71073","MoKα","","0.1453","0.0547","","","0.0986","0.1161","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015140","20.6762","0.0007","7.2443","0.0002","10.3501","0.0003","90","","116.575","0.002","90","","1386.5","0.08","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,3-dibromo-1,3-diphenylpropan-1-one","","- C15 H12 Br2 O -","- C15 H12 Br2 O -","- C60 H48 Br8 O4 -","4","1","FG1880","Harrison, William T. A.; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Anilkumar, H. G.","Do C—H···O and C—H···π interactions help to stabilize a non-centrosymmetric structure for racemic 2,3-dibromo-1,3-diphenylpropan-1-one?","Acta Crystallographica Section C","2005","61","12","o728","o730","10.1107/S0108270105036942","","","0.71073","MoKα","","0.0291","0.0264","","","0.057","0.0582","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015141","7.7492","0.0004","18.3881","0.001","18.6756","0.0011","90","","96.187","0.001","90","","2645.6","0.3","187","1","187","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","poly[3-[(4-amino-2-methyl-5-pyrimidin-1-io)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium octa-μ-bromochloro(4.4/3.6)-tricadmate(II)","","- C12 H18 Br4.41 Cd3 Cl3.59 N4 O S -","- C12 H18 Br4.409 Cd3 Cl3.591 N4 O S -","- C48 H72 Br17.636 Cd12 Cl14.364 N16 O4 S4 -","4","1","FG1881","Hu, Ning-Hai; Jia, Heng-Qing; Xu, Jing-Wei; Katsuyuki Aoki","Interactions of thiamine with polymeric halogenocadmate anions in the organic‒inorganic hybrid compound (thiaminium)[Cd~3~Br~4.4~Cl~3.6~]","Acta Crystallographica Section C","2005","61","12","m538","m541","10.1107/S0108270105037145","","","0.71073","MoKα","","0.0369","0.0271","","","0.0569","0.06","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015142","4.9794","0.0007","6.147","0.0009","6.8905","0.001","106.85","0.002","90.177","0.002","94.213","0.002","201.24","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","dimethyl selenoxide","","- C2 H6 O Se -","- C2 H6 O Se -","- C4 H12 O2 Se2 -","2","1","FR1528","Filatov, Alexander S.; Block, Eric; Petrukhina, Marina A.","Dimethyl selenoxide","Acta Crystallographica Section C","2005","61","10","o596","o598","10.1107/S0108270105027587","","","0.71073","MoKα","","0.0183","0.0171","","","0.0444","0.0449","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015143","32.7","0.007","12.926","0.003","16.065","0.003","90","","104.73","0.03","90","","6567","3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyrimethaminium(2+) nitrate","2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidine-1,3-diium dinitrate","","- C12 H15 Cl N6 O6 -","- C12 H15 Cl N6 O6 -","- C192 H240 Cl16 N96 O96 -","16","2","GA1099","Kasthuri Balasubramani; Packianathan Thomas Muthiah; Urszula Rychlewska; Agnieszka Plutecka","Hydrogen-bonding patterns in pyrimethaminium dinitrate","Acta Crystallographica Section C","2005","61","10","o586","o588","10.1107/S0108270105016513","","","0.71073","MoKα","","0.1408","0.0594","","","0.1544","0.231","","","","","","1.031","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015144","11.718","0.005","10.794","0.005","13.868","0.006","90","","99.727","0.008","90","","1728.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Di-2-pyridyl ketone N^4^,N^4^-(butane-1,4-diyl)thiosemicarbazonato- κ^3^N,N',S]dioxovanadium(V)","","- C16 H16 N5 O2 S V -","- C16 H16 N5 O2 S V -","- C64 H64 N20 O8 S4 V4 -","4","1","GA1108","Varughese Philip; E. Manoj; M. R. Prathapachandra Kurup; Munirathinam Nethaji","[Di-2-pyridyl ketone <i>N</i>^4^,<i>N</i>^4^-(butane-1,4-diyl)thiosemicarbazonato-κ^3^<i>N</i>,<i>N</i>',<i>S</i>]dioxovanadium(V)","Acta Crystallographica Section C","2005","61","11","m488","m490","10.1107/S0108270105030337","","","0.71073","MoKα","","0.0539","0.0391","","","0.1033","0.112","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015145","7.924","0.001","13.578","0.002","25.003","0.003","90","","90","","90","","2690.1","0.6","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]zinc(II)]- μ-chloro]","","- C13 H10 Br Cl N2 O Zn -","- C13 H10 Br Cl N2 O Zn -","- C104 H80 Br8 Cl8 N16 O8 Zn8 -","8","1","GA1109","You, Zhong-Lu","<i>catena</i>-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]zinc(II)]-μ-chloro]","Acta Crystallographica Section C","2005","61","10","m456","m458","10.1107/S010827010502932X","","","0.71073","MoKα","","0.1133","0.0561","","","0.1091","0.128","","","","","","1.061","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015146","18.892","0.007","7.336","0.003","18.357","0.007","90","","116.552","0.005","90","","2275.8","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquairon(II) bis(4',7-dimethoxyisoflavone-3'-sulfonate) octahydrate","","- C34 H54 Fe O28 S2 -","- C34 H54 Fe O28 S2 -","- C68 H108 Fe2 O56 S4 -","2","0.5","GA1112","Zun-Ting Zhang; Xin-Li Cheng","Hydrogen bonding and π‒π stacking in hexaaquairon(II) bis(4',7-dimethoxyisoflavone-3'-sulfonate) octahydrate","Acta Crystallographica Section C","2005","61","12","m529","m531","10.1107/S0108270105036218","","","0.71073","MoKα","","0.0757","0.0418","","","0.0934","0.1125","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015147","13.131","0.001","7.829","0.001","16.911","0.002","90","","111.903","0.001","90","","1613","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[bis[μ-2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]-di-μ- thiocyanato-dicadmium(II)]","","- C14 H9 Cd Cl2 N3 O S -","- C14 H9 Cd Cl2 N3 O S -","- C56 H36 Cd4 Cl8 N12 O4 S4 -","4","1","GA1113","You, Zhong-Lu","<i>catena</i>-Poly[[bis[μ-2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]dicadmium(II)]-di-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","12","m532","m534","10.1107/S0108270105036127","","","0.71073","MoKα","","0.035","0.0281","","","0.0678","0.0709","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015148","8.0145","0.0014","6.66","0.001","16.489","0.004","90","","90.2","0.018","90","","880.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[di-μ~2~-aqua-di-μ~5~-croconato(2-)-nickel(II)dipotassium(I)] tetrahydrate]","","- C10 H12 K2 Ni O16 -","- C10 H12 K2 Ni O16 -","- C20 H24 K4 Ni2 O32 -","2","0.5","GD1416","Chen, Hong-Yu; Fang, Qi; Xue, Gang; Yu, Wen-Tao","Poly[[di-μ~2~-aqua-di-μ~5~-croconato(2‒)-nickel(II)dipotassium(I)] tetrahydrate]","Acta Crystallographica Section C","2005","61","12","m535","m537","10.1107/S0108270105036322","","","0.71073","MoKα","","0.0514","0.0362","","","0.0779","0.083","","","","","","1.022","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015149","6.1449","0.0011","7.8343","0.001","13.08","0.003","90","","100.25","0.015","90","","619.6","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","endo- 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C24 H36 N4 O8 -","2","1","GD1417","Tripathi, Anil Kumar; Bruhn, Clemens; Flock, Susanne; Frauenrath, Herbert","The <i>endo</i> and <i>exo</i> isomers of 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section C","2005","61","12","o705","o706","10.1107/S0108270105035134","","","0.71073","MoKα","","0.0468","0.0359","","","0.0731","0.0764","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015150","24.47","0.003","8.8444","0.0008","11.8252","0.0014","90","","97.119","0.009","90","","2539.5","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","exo- 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C96 H144 N16 O32 -","8","2","GD1417","Tripathi, Anil Kumar; Bruhn, Clemens; Flock, Susanne; Frauenrath, Herbert","The <i>endo</i> and <i>exo</i> isomers of 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section C","2005","61","12","o705","o706","10.1107/S0108270105035134","","","0.71073","MoKα","","0.0595","0.0312","","","0.0783","0.0843","","","","","","0.895","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015151","9.3587","0.0012","10.3445","0.0013","16.925","0.002","92.079","0.002","95.775","0.002","95.245","0.002","1621.7","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","(I)","N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-phenylalanine","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C64 H72 N16 O16 -","4","4","GG1264","Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko","Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine","Acta Crystallographica Section C","2005","61","10","o577","o582","10.1107/S0108270105026259","","","0.71073","MoKα","","0.067","0.0641","","","0.1478","0.1497","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015152","4.863","0.001","10.771","0.002","12.228","0.002","80.45","0.03","89.23","0.03","88.61","0.03","631.4","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","(II)","N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-serine monohydrate","","- C10 H16 N4 O6 -","- C10 H16 N4 O6 -","- C20 H32 N8 O12 -","2","2","GG1264","Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko","Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine","Acta Crystallographica Section C","2005","61","10","o577","o582","10.1107/S0108270105026259","","","0.71073","MoKα","","0.0492","0.0479","","","0.1131","0.1139","","","","","","1.167","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015153","6.9334","0.0009","8.2977","0.001","13.2491","0.0016","90.78","0.002","93.498","0.002","107.293","0.002","726.02","0.16","100","2","100","2","","","","","","","","4","P 1","P 1","1","(III)","N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-lysine","","- C13 H21 N5 O4 -","- C13 H21 N5 O4 -","- C26 H42 N10 O8 -","2","2","GG1264","Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko","Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine","Acta Crystallographica Section C","2005","61","10","o577","o582","10.1107/S0108270105026259","","","0.71073","MoKα","","0.0426","0.0381","","","0.0969","0.0998","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015154","7.1369","0.0002","18.6755","0.0006","9.8009","0.0004","90","","103.694","0.003","90","","1269.18","0.08","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Di-tert-butylphenol","","- C14 H22 O -","- C14 H22 O -","- C56 H88 O4 -","4","1","GG1284","Lutz, Martin; Spek, Anthony L.","2,6-Di-<i>tert</i>-butylphenol revisited at 110 K","Acta Crystallographica Section C","2005","61","11","o639","o641","10.1107/S0108270105030325","","","0.71073","MoKα","","0.0483","0.0373","","","0.0932","0.1003","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015155","9.0644","0.0004","10.4661","0.0006","9.7703","0.0005","90","","103.131","0.003","90","","902.66","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2,3,4-Tetra-O-acetyl-β-D-glucopyranuronic acid monohydrate","","- C14 H20 O12 -","- C14 H20 O12 -","- C28 H40 O24 -","2","1","GG1287","Baddeley, Thomas C.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","1,2,3,4-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranuronic acid monohydrate at 120K and anhydrous 1,2,3,4-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranose at 292K","Acta Crystallographica Section C","2005","61","12","o711","o714","10.1107/S0108270105034979","","","0.71073","MoKα","","0.0471","0.0376","","","0.0897","0.0938","","","","","","1.087","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015156","9.483","0.0008","12.6536","0.0012","15.1455","0.0014","90","","90","","90","","1817.4","0.3","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,2,3,4-Tetra-O-acetyl-beta-D-glucose","1,2,3,4-Tetra-O-acetyl-beta-D-glucopyranose","","- C14 H20 O10 -","- C14 H20 O10 -","- C56 H80 O40 -","4","1","GG1287","Baddeley, Thomas C.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","1,2,3,4-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranuronic acid monohydrate at 120K and anhydrous 1,2,3,4-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranose at 292K","Acta Crystallographica Section C","2005","61","12","o711","o714","10.1107/S0108270105034979","","","0.71073","MoKα","","0.0956","0.0464","","","0.1229","0.1483","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015157","13.907","0.003","7.856","0.002","15.357","0.003","90","","93.21","0.02","90","","1675.2","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7,8-Dihydroxy-4-propyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolinium bromide monohydrate","","- C16 H26 Br N O3 -","- C16 H26 Br N O3 -","- C64 H104 Br4 N4 O12 -","4","1","GG1288","Hempel, Andrew; Lilian Y. Y. Ma; Camerman, Arthur; Mastropaolo, Donald; Camerman, Norman","7,8-Dihydroxy-4-propyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[<i>f</i>]quinolinium bromide monohydrate, a dopamine agonist","Acta Crystallographica Section C","2005","61","12","o681","o682","10.1107/S0108270105033329","","","1.54178","CuKα","","0.0794","0.0329","","","0.0789","0.0848","","","","","","0.699","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015158","14.0121","0.0002","19.6631","0.0003","15.3773","0.0002","90","","110.3","0.0008","90","","3973.63","0.1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hydronium bis[(-)-N-(trans-4-isopropylcyclohexanecarbonyl)-D-phenylalanine] chloride","","- C38 H57 Cl N2 O7 -","- C38 H57 Cl N2 O7 -","- C152 H228 Cl4 N8 O28 -","4","2","GG1291","Limor Tessler; Israel Goldberg","Bis(nateglinide) hydronium chloride, and its unique self-assembly into extended polymeric arrays <i>via</i> O—H···O, N—H···Cl and O—H···Cl hydrogen bonds","Acta Crystallographica Section C","2005","61","12","o738","o740","10.1107/S0108270105037558","","","0.71073","MoKα","","0.0925","0.0553","","","0.1021","0.1151","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015159","11.3331","0.0009","5.4092","0.0003","20.3509","0.0018","90","","90.653","0.007","90","","1247.49","0.16","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Phenyl-3-(4-pyridyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole","","- C14 H9 N5 S -","- C14 H9 N5 S -","- C56 H36 N20 S4 -","4","1","GZ1015","Dinçer, Muharrem; Özdemir, Namık; Çetin, Ahmet; Cansız, Ahmet; Büyk̈güngör, Orhan","6-Phenyl-3-(4-pyridyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section C","2005","61","11","o665","o667","10.1107/S0108270105032403","","","0.71073","MoKα","","0.0614","0.0373","","","0.0719","0.077","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015160","13.9223","0.0018","14.2423","0.0018","21.57","0.003","83.079","0.002","72.024","0.002","70.605","0.002","3836.6","0.9","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","9,9-di-n-octyl-9H-fluorene","","- C29 H42 -","- C29 H42 -","- C174 H252 -","6","3","GZ1016","McFarlane, Shaune; McDonald, Robert; Veinot, Jonathan G. C.","9,9-Di-<i>n</i>-octyl-9<i>H</i>-fluorene","Acta Crystallographica Section C","2005","61","12","o671","o673","10.1107/S0108270105032786","","","0.71073","MoKα","","0.1046","0.0596","","","0.1584","0.1903","","","","","","1.027","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015161","5.554","0.001","18.754","0.003","8.974","0.002","90","","101.84","0.03","90","","914.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isatin 3-semicarbazone","1H-indole-2,3-dione 3-semicarbazone","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C36 H32 N16 O8 -","4","1","HJ1061","Pelosi, G.; Pelizzi, C.; Belicchi Ferrari, M.; Rodríguez Argüelles, M.C.; Vieito, C.; Sanmartín, J.","Isatin 3-semicarbazone and 1-methylisatin 3-semicarbazone","Acta Crystallographica Section C","2005","61","10","o589","o592","10.1107/S0108270105024959","","","1.54178","CuKα","","0.0593","0.0337","","","0.0789","0.0915","","","","","","0.929","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015162","3.984","0.002","20.93","0.006","12.122","0.002","90","","90","","90","","1010.8","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylisatin-3-semicarbazone","1-methylindole-2,3-dione 3-semicarbazone","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C40 H40 N16 O8 -","4","1","HJ1061","Pelosi, G.; Pelizzi, C.; Belicchi Ferrari, M.; Rodríguez Argüelles, M.C.; Vieito, C.; Sanmartín, J.","Isatin 3-semicarbazone and 1-methylisatin 3-semicarbazone","Acta Crystallographica Section C","2005","61","10","o589","o592","10.1107/S0108270105024959","","","0.71073","MoKα","","0.0343","0.0278","","","0.0742","0.0768","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015163","7.607","0.002","13.615","0.003","14.544","0.003","90","","90","","90","","1506.3","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bis(1H-benzimidazol-2-ylmethyl)aminium chloride","","- C16 H16 Cl N5 -","- C16 H16 Cl N5 -","- C64 H64 Cl4 N20 -","4","1","HJ1062","Xue-Li Zhang; Sheng-Run Zheng; Yue-Peng Cai; Cheng-Yong Su","2,2'-(Iminodimethylene)bis(1<i>H</i>-benzimidazolium)(1+) chloride","Acta Crystallographica Section C","2005","61","11","o642","o644","10.1107/S0108270105021992","","","0.71073","MoKα","","0.0332","0.0266","","","0.0639","0.0672","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015164","7.4666","0.0006","10.0219","0.0008","10.3856","0.0008","90","","106.444","0.001","90","","745.36","0.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[cobalt(II)-di-μ~3~-3,5-diaminobenzoato-κN:κN':κO] monohydrate]","","- C14 H16 Co N4 O5 -","- C14 H16 Co N4 O5 -","- C28 H32 Co2 N8 O10 -","2","0.5","HJ1066","You-Huan Wei; An-Zhi Tan; Zi-Lu Chen; Fu-Pei Liang; Rui-Xiang Hu","Poly[[cobalt(II)-di-μ~3~-3,5-diaminobenzoato-κ^3^<i>N</i>:<i>N</i>':<i>O</i>] monohydrate]","Acta Crystallographica Section C","2005","61","10","m453","m455","10.1107/S0108270105028349","","","0.71073","MoKα","","0.0299","0.0279","","","0.0773","0.0789","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015165","10.885","0.002","16.216","0.003","11.108","0.002","90","","96.04","0.03","90","","1949.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[μ-hexanedioato-1κO^1^:2κO^6^-bis[[[aqua(5-carboxypentanoato- κO]-di-μ-4,4'-bipyridine-1κN:1'κN';2κN:2'κN']copper(II)]]","","- C19 H23 Cu N2 O7 -","- C19 H23 Cu N2 O7 -","- C76 H92 Cu4 N8 O28 -","4","1","HJ1068","Jian-Li Lin; Yue-Qing Zheng","<i>catena</i>-Poly[[μ-hexanedioato-1κ<i>O</i>^1^:2κ<i>O</i>^6^-bis[aqua(5-carboxypentanoato-κ<i>O</i>)copper(II)]]-di-μ-4,4'-bipyridine-1κ<i>N</i>:1'κ<i>N</i>';2κ<i>N</i>:2'κ<i>N</i>']","Acta Crystallographica Section C","2005","61","12","m501","m503","10.1107/S0108270105032506","","","0.71073","MoKα","","0.0423","0.0357","","","0.0969","0.101","","","","","","1.151","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015166","12.101","0.005","24.379","0.005","10.679","0.005","90","0.005","105.413","0.005","90","0.005","3037","2","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[bis(4,4'-bipyridine-κN)cadmium(II)]-μ~3~-4,4'-dicarboxybiphenyl- 3,3'-dicarboxylato] 0.352-hydrate","","- C36 H24.7 Cd N4 O8.35 -","- C36 H24 Cd N4 O8.352 -","- C144 H96 Cd4 N16 O33.408 -","4","1","HJ1069","Xiang-Rong Hao; Zhong-Min Su; Ya-Hui Zhao; Kui-Zhan Shao; Yong Wang","A novel cadmium(II) coordination polymer with biphenyl-3,3',4,4'-tetracarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2005","61","11","m469","m471","10.1107/S0108270105028751","","","0.71069","MoKα","","0.1346","0.0482","","","0.0867","0.1151","","","","","","0.955","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2015167","20.174","0.003","7.343","0.001","10.614","0.0014","90","","90","","90","","1572.3","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane diiodide acetonitrile solvate","","","- C10 H21 I2 N3 -","- C10 H21 I2 N3 -","- C40 H84 I8 N12 -","4","0.5","HJ1071","Janzen, Daron E.; Ewbank, Paul C.; Mann, Kent R.","1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane diiodide acetonitrile solvate","Acta Crystallographica Section C","2005","61","11","o631","o633","10.1107/S0108270105028763","","","0.71069","MoKα","","0.0409","0.0291","","","0.0432","0.0451","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015168","8.4822","0.0005","13.6287","0.0009","14.3131","0.0009","63.081","0.005","81.702","0.005","85.936","0.005","1459.86","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","","N-(2,4-Dimethoxybenzylideneamino)guanidinium dihydrogenphosphate","","- C10 H17 N4 O6 P -","- C10 H17 N4 O6 P -","- C40 H68 N16 O24 P4 -","4","2","HJ1076","Dinçer, Muharrem; Özdemir, Namık; Sarıpınar, Emin; Kulak, Lalehan; Büyükgüngör, Orhan","<i>N</i>-(2,4-Dimethoxybenzylideneamino)guanidinium dihydrogenphosphate","Acta Crystallographica Section C","2005","61","12","o722","o724","10.1107/S0108270105037522","","","0.71073","MoKα","","0.0796","0.0549","","","0.1407","0.1529","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015169","9.6992","0.0018","6.4069","0.0012","12.919","0.002","90","","93.974","0.014","90","","800.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","deacetylcephalothin","(6R,7R)-3-hydroxymethyl-8-oxo-7-(2-thiophen-2-ylacetylamino) -5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid]","","- C14 H14 N2 O5 S2 -","- C14 H14 N2 O5 S2 -","- C28 H28 N4 O10 S4 -","2","1","JZ1751","Zachara, Janusz; Madura, Izabela D.; Zimniak, Andrzej; Oszczapowicz, Irena; Chrobak, Iwona","The hydrogen-bonding network in deacetylcephalothin","Acta Crystallographica Section C","2005","61","11","o625","o627","10.1107/S0108270105029811","","","0.71073","MoKα","","0.0431","0.0376","","","0.0867","0.0901","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015170","8.5118","0.0007","7.2369","0.0013","21.181","0.005","90","","96.714","0.015","90","","1295.8","0.4","295","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-methylanilino)pyridine-3-sulfonamide","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","JZ1757","Košutić Hulita, Nada; Danilovski, Aleksandar; Filić, Darko; Marinković, Marina; Meštrović, Ernest; Dumić, Miljenko","Supramolecular structures of three isomeric 4-(methylphenylamino)pyridine-3-sulfonamides","Acta Crystallographica Section C","2005","61","11","o648","o651","10.1107/S0108270105031902","","","0.71073","MoKα","","0.084","0.0438","","","0.1071","0.1265","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015171","6.7621","0.0009","8.6521","0.0013","11.4715","0.0018","98.523","0.011","102.398","0.012","102.991","0.009","624.97","0.17","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(3-methylanilino)pyridine-3-sulfonamide","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C24 H26 N6 O4 S2 -","2","1","JZ1757","Košutić Hulita, Nada; Danilovski, Aleksandar; Filić, Darko; Marinković, Marina; Meštrović, Ernest; Dumić, Miljenko","Supramolecular structures of three isomeric 4-(methylphenylamino)pyridine-3-sulfonamides","Acta Crystallographica Section C","2005","61","11","o648","o651","10.1107/S0108270105031902","","","0.71073","MoKα","","0.049","0.0453","","","0.1243","0.1296","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015172","10.773","0.0019","9.271","0.004","12.5769","0.0016","90","","95.71","0.02","90","","1249.9","0.6","295","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-methylanilino)pyridine-3-sulfonamide","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","JZ1757","Košutić Hulita, Nada; Danilovski, Aleksandar; Filić, Darko; Marinković, Marina; Meštrović, Ernest; Dumić, Miljenko","Supramolecular structures of three isomeric 4-(methylphenylamino)pyridine-3-sulfonamides","Acta Crystallographica Section C","2005","61","11","o648","o651","10.1107/S0108270105031902","","","0.71073","MoKα","","0.0728","0.0413","","","0.1046","0.1208","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015173","26.626","0.002","6.6818","0.0005","16.8821","0.0013","90","","107.565","0.001","90","","2863.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","dichlorobis(2-picolylamine)iron(II)","cis/trans-dichlorobis(2-picolylamine)iron(II)","","- C12 H16 Cl2 Fe N4 -","- C12 H16 Cl2 Fe N4 -","- C96 H128 Cl16 Fe8 N32 -","8","1","LN1183","Karl W. Törnroos; Dmitry Chernyshov; Marc Hostettler; Hans-Beat Bürgi","Co-crystallized <i>cis</i> and <i>trans</i> isomers of dichlorobis(2-picolylamine)iron(II)","Acta Crystallographica Section C","2005","61","10","m450","m452","10.1107/S0108270105028167","","","0.71073","MoKα","","0.0389","0.0266","","","0.0591","0.063","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015174","11.382","0.002","14.048","0.003","13.162","0.003","90","","91.16","0.03","90","","2104.1","0.8","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-(2,6-difluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","","- C22 H14 F5 N O5 S -","- C22 H14 F5 N O5 S -","- C88 H56 F20 N4 O20 S4 -","4","1","LN1184","Artur Sikorski; Karol Krzymiński; Agnieszka Niziołek; Jerzy Błażejowski","9-(2,6-Difluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-difluorophenyl acridine-9-carboxylate: C—H···O, C—F···π, S—O···π and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","12","o690","o694","10.1107/S0108270105033779","","","0.71073","MoKα","","0.1377","0.048","","","0.1087","0.1442","","","","","","0.971","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015175","8.306","0.002","9.057","0.002","11.423","0.002","69.94","0.03","77.8","0.03","72.16","0.03","762.9","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","2,6-difluorophenyl acridine-9-carboxylate","","- C20 H11 F2 N O2 -","- C20 H11 F2 N O2 -","- C40 H22 F4 N2 O4 -","2","1","LN1184","Artur Sikorski; Karol Krzymiński; Agnieszka Niziołek; Jerzy Błażejowski","9-(2,6-Difluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-difluorophenyl acridine-9-carboxylate: C—H···O, C—F···π, S—O···π and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","12","o690","o694","10.1107/S0108270105033779","","","0.71073","MoKα","","0.1191","0.0423","","","0.1","0.1287","","","","","","1.013","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015176","7.0679","0.0018","15.983","0.004","8.907","0.002","90","","104.78","0.01","90","","972.9","0.4","174","2","174","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile‒pyrene (1/1)","","- C24 H10 Cl4 N2 -","- C24 H10 Cl4 N2 -","- C48 H20 Cl8 N4 -","2","0.5","LN1185","Britton, Doyle","1:1 Complexes of 2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile with pyrene and phenanthrene: pseudo-isomorphs","Acta Crystallographica Section C","2005","61","11","o662","o664","10.1107/S0108270105032002","","","0.71073","MoKα","","0.041","0.032","","","0.077","0.081","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015177","7.1731","0.0018","15.599","0.004","9.104","0.002","90","","110.6","0.01","90","","953.5","0.4","174","2","174","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile‒phenanthrene (1/1)","","- C22 H10 Cl4 N2 -","- C22 H10 Cl4 N2 -","- C44 H20 Cl8 N4 -","2","0.5","LN1185","Britton, Doyle","1:1 Complexes of 2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile with pyrene and phenanthrene: pseudo-isomorphs","Acta Crystallographica Section C","2005","61","11","o662","o664","10.1107/S0108270105032002","","","0.71073","MoKα","","0.049","0.042","","","0.112","0.115","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015178","8.6379","0.0002","13.3638","0.0003","16.3161","0.0003","90","","90","","90","","1883.45","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,3R,8R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1.3^]dodecan- 11-one thiosemicarbazone","","- C17 H25 Cl2 N3 S -","- C17 H25 Cl2 N3 S -","- C68 H100 Cl8 N12 S4 -","4","1","LN1186","Ourhriss, N; Giorgi, M.; Mazoir, N.; Benharref, A.","Absolute configuration and conformational disorder of a tricyclic thiosemicarbazone derivative","Acta Crystallographica Section C","2005","61","12","o699","o701","10.1107/S0108270105033470","","","0.71073","MoKα","","0.032","0.0294","","","0.0704","0.0724","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015179","20.8661","0.0003","9.6138","0.0002","16.0702","0.0005","90","","107.887","0.0008","90","","3067.9","0.12","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidinium-1-yl]- butyl}phenyl)-2-methylpropionate methanol disolvate","","- C34 H47 N O6 -","- C34 H47 N O6 -","- C136 H188 N4 O24 -","4","1","LN1187","Limor Tessler; Israel Goldberg","The methanol disolvate and the dihydrate of fexofenadine, an antihistamine drug","Acta Crystallographica Section C","2005","61","12","o707","o710","10.1107/S0108270105035651","","","0.71073","MoKα","","0.1176","0.0643","","","0.142","0.1679","","","","","","1.003","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015180","23.818","0.0009","9.8444","0.0003","12.3959","0.0004","90","","93.177","0.0012","90","","2902.05","0.17","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidinium-1-yl]- butyl}phenyl)-2-methylpropionate dihydrate","","- C32 H43 N O6 -","- C32 H43 N O6 -","- C128 H172 N4 O24 -","4","1","LN1187","Limor Tessler; Israel Goldberg","The methanol disolvate and the dihydrate of fexofenadine, an antihistamine drug","Acta Crystallographica Section C","2005","61","12","o707","o710","10.1107/S0108270105035651","","","0.71073","MoKα","","0.1738","0.0731","","","0.1716","0.2143","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015181","11.086","0.002","21.846","0.005","7.2","0.0015","90","","105.615","0.004","90","","1679.4","0.6","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aqua(3,4,7,8-tetramethyl-1,10-phenanthroline- κ^2^N,N')cadmium(II)]-μ~3~-thiosulfato-κ^3^S:S:O]","","- C16 H18 Cd N2 O4 S2 -","- C16 H18 Cd N2 O4 S2 -","- C64 H72 Cd4 N8 O16 S8 -","4","1","OB1239","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","<i>catena</i>-Poly[[aqua(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ~3~-thiosulfato-κ^3^<i>S</i>:<i>S</i>:<i>O</i>]","Acta Crystallographica Section C","2005","61","11","m494","m496","10.1107/S0108270105025151","","","0.71073","MoKα","","0.0846","0.0579","","","0.1019","0.11","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015182","11.5406","0.0012","9.2179","0.0007","22.432","0.002","90","","90.263","0.008","90","","2386.3","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Methyl-5-phenyl-3-thienyl)-2-(3-methyl-5-phenyl-2-thienyl)-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C27 H18 F6 S2 -","- C27 H18 F6 S2 -","- C108 H72 F24 S8 -","4","1","OB1244","Pu, Shou-Zhi; Liu, Gang; Chen, Bing; Wang, Ru-Ji","1-(2-Methyl-5-phenyl-3-thienyl)-2-(3-methyl-5-phenyl-2-thienyl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene: a novel photochromic hybrid diarylethene","Acta Crystallographica Section C","2005","61","10","o599","o601","10.1107/S0108270105028143","","","0.71073","MoKα","","0.0713","0.0544","","","0.1039","0.1116","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015183","13.1896","0.001","24.3104","0.0018","8.0185","0.0006","90","","100.103","0.002","90","","2531.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 Mg N8 O -","- C33 H20 Mg N8 O -","- C132 H80 Mg4 N32 O4 -","4","1","RB1016","Ilia A. Guzei; Robert W. McGaff; Heidi M. Kieler","Why magnesium is five-coordinate in methanol(phthalocyaninato)magnesium(II)","Acta Crystallographica Section C","2005","61","11","m472","m475","10.1107/S0108270105029732","","","0.71073","Mo-Kα","","0.0655","0.043","","","0.1059","0.1195","","","","","","1.007","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015184","16.93","0.003","10.7694","0.0018","17.665","0.003","90","","111.543","0.005","90","","2995.8","0.9","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[2-(4-Cyanophenyl)ethenyl]-N-methylpyridinium tetraphenylborate","","- C39 H33 B N2 -","- C39 H33 B N2 -","- C156 H132 B4 N8 -","4","1","SF1010","Dan Jin; De-Chun Zhang","4-[2-(4-Cyanophenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate","Acta Crystallographica Section C","2005","61","11","o657","o659","10.1107/S010827010503060X","","","0.7107","MoKα","","0.0627","0.051","","","0.1143","0.1208","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015185","7.9043","0.0016","10.23","0.002","12.597","0.003","102.32","0.03","102.61","0.03","110.5","0.03","883","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)oxosulfatovanadium tetrahydrate","","- C6 H18 N4 O11 S3 V -","- C6 H18 N4 O11 S3 V -","- C12 H36 N8 O22 S6 V2 -","2","1","SF1012","Zhi-Yong Wu; Yan-Tuan Li; Duan-Jun Xu","Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)oxosulfatovanadium(IV) tetrahydrate","Acta Crystallographica Section C","2005","61","11","m463","m465","10.1107/S0108270105028982","","","0.71073","MoKα","","0.0365","0.0307","","","0.0823","0.0885","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015186","15.649","0.002","15.649","0.002","8.653","0.002","90","","90","","90","","2119","0.6","150","2","150","2","","","","","","","","5","I 4","I 4","79","","Dichlorotetrakis[3-(4-pyridyl)-1H-pyrazole]cobalt(II) acetonitrile tetrasolvate","","- C40 H40 Cl2 Co N16 -","- C40 H40 Cl2 Co N16 -","- C80 H80 Cl4 Co2 N32 -","2","0.25","SF1015","Graham M. Davies; Harry Adams; Michael D. Ward","Dichlorotetrakis[3-(4-pyridyl)-1<i>H</i>-pyrazole]cobalt(II) acetonitrile tetrasolvate: an infinite hydrogen-bonded network, in an instant","Acta Crystallographica Section C","2005","61","11","m485","m487","10.1107/S0108270105031732","","","0.71073","MoKα","","0.0341","0.029","","","0.0672","0.0692","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015187","5.9845","0.0002","5.5962","0.0002","19.1168","0.0006","90","","104.558","0.002","90","","619.67","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Nitrobenzaldehyde 3-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C26 H20 N8 O8 -","2","0.5","SK1867","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric (<i>E</i>)-nitrobenzaldehyde nitrophenylhydrazones: chains of rings in isomorphous (<i>E</i>)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (<i>E</i>)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, and centrosymmetric dimers in (<i>E</i>)-4-nitrobenzaldehyde 2-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","10","o613","o616","10.1107/S0108270105028799","","","0.71073","MoKα","","0.0696","0.0644","","","0.147","0.1493","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015188","6.228","0.0007","5.3947","0.001","19.249","0.004","90","","106.847","0.011","90","","618.98","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Nitrobenzaldehyde 2-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C26 H20 N8 O8 -","2","0.5","SK1867","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric (<i>E</i>)-nitrobenzaldehyde nitrophenylhydrazones: chains of rings in isomorphous (<i>E</i>)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (<i>E</i>)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, and centrosymmetric dimers in (<i>E</i>)-4-nitrobenzaldehyde 2-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","10","o613","o616","10.1107/S0108270105028799","","","0.71073","MoKα","","0.154","0.0682","","","0.1762","0.2076","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015189","17.9563","0.0016","3.716","0.0002","22.0624","0.0017","90","","124.406","0.005","90","","1214.58","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Nitrobenzaldehyde 2-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","SK1867","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric (<i>E</i>)-nitrobenzaldehyde nitrophenylhydrazones: chains of rings in isomorphous (<i>E</i>)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (<i>E</i>)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, and centrosymmetric dimers in (<i>E</i>)-4-nitrobenzaldehyde 2-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","10","o613","o616","10.1107/S0108270105028799","","","0.71073","MoKα","","0.1205","0.0692","","","0.1505","0.1696","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015190","6.8859","0.0003","24.7258","0.0012","7.2582","0.0002","90","","107.953","0.002","90","","1175.61","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluorobenzaldehyde isonicotinoylhydrazone","","- C13 H9 F2 N3 O -","- C13 H9 F2 N3 O -","- C52 H36 F8 N12 O4 -","4","1","SK1868","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Ferreira, MArcelle de L.; Vasconcelos, Thatyana R. A.; Low, John N.; Glidewell, Christopher","π-Stacked hydrogen-bonded chains of rings in 2,4-difluorobenzaldehyde isonicotinoylhydrazone and hydrogen-bonded sheets in 2,3-dichlorobenzaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","2005","61","10","o617","o620","10.1107/S0108270105029136","","","0.71073","MoKα","","0.052","0.0407","","","0.0956","0.1009","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015191","7.7369","0.0002","10.7764","0.0004","14.9091","0.0005","90","","90.24","0.0018","90","","1243.05","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-dichlorobenzaldehyde isonicotinoylhydrazone","","- C13 H9 Cl2 N3 O -","- C13 H9 Cl2 N3 O -","- C52 H36 Cl8 N12 O4 -","4","1","SK1868","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Ferreira, MArcelle de L.; Vasconcelos, Thatyana R. A.; Low, John N.; Glidewell, Christopher","π-Stacked hydrogen-bonded chains of rings in 2,4-difluorobenzaldehyde isonicotinoylhydrazone and hydrogen-bonded sheets in 2,3-dichlorobenzaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","2005","61","10","o617","o620","10.1107/S0108270105029136","","","0.71073","MoKα","","0.0403","0.0313","","","0.0853","0.0993","","","","","","1.154","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015192","7.6466","0.0006","17.0714","0.0012","19.7596","0.0014","90","","98.06","0.001","90","","2553.9","0.3","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","6,6'-di-tert-butyl-4,4'-dimethyl-2,2'-thiodiphenylphosphate","","- C25 H33 N2 O4 P S -","- C25 H33 N2 O4 P S -","- C100 H132 N8 O16 P4 S4 -","4","1","SK1869","Pavan Kumar, K. V. P.; Kumara Swamy, K. C.","Two phosphate‒imidazole complexes with and without a hydrogen-bonded guest molecule","Acta Crystallographica Section C","2005","61","11","o668","o670","10.1107/S0108270105031744","","","0.71073","MoKα","","0.0528","0.0393","","","0.0827","0.0865","","","","","","0.929","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015193","29.333","0.002","9.9415","0.0007","23.3483","0.0017","90","","112.542","0.001","90","","6288.5","0.8","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","imidazolium 6,6'-di-tert-butyl-4,4'-dimethyl-2,2'-thiodiphenylphosphate diisopropyl hydrazodicarboxylate hemisolvate","","- C58 H82 N6 O12 P2 S2 -","- C58 H82 N6 O12 P2 S2 -","- C232 H328 N24 O48 P8 S8 -","4","0.5","SK1869","Pavan Kumar, K. V. P.; Kumara Swamy, K. C.","Two phosphate‒imidazole complexes with and without a hydrogen-bonded guest molecule","Acta Crystallographica Section C","2005","61","11","o668","o670","10.1107/S0108270105031744","","","0.71073","MoKα","","0.0798","0.0484","","","0.1209","0.1348","","","","","","0.947","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2015194","13.6671","0.0008","7.0632","0.0004","23.5991","0.0017","90","","90","","90","","2278.1","0.2","150","2","150","2","","","","","","","","5","P n a b","-P 2bc 2n","60","Caesium 5-hydroxyhydurilate hemihydrate","poly[[caesium-μ~5~-5-hydroxyhydurilato] hemihydrate]","","- C8 H6 Cs N4 O7.5 -","- C8 H6 Cs N4 O7.5 -","- C64 H48 Cs8 N32 O60 -","8","1","SK1870","Nichol, Gary S.; Clegg, William","Polymorphism in an unexpected caesium complex of 5-hydroxyhydurilic acid","Acta Crystallographica Section C","2005","61","10","m459","m462","10.1107/S0108270105029318","","","0.71073","MoKα","","0.0373","0.0248","","","0.0439","0.047","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015195","12.1244","0.0016","8.1353","0.0011","23.267","0.003","90","","91.654","0.002","90","","2294","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Caesium 5-hydroxyhydurilate hemihydrate","poly[[caesium-μ~5~-5-hydroxyhydurilato] hemihydrate]","","- C8 H6 Cs N4 O7.5 -","- C8 H6 Cs N4 O7.5 -","- C64 H48 Cs8 N32 O60 -","8","1","SK1870","Nichol, Gary S.; Clegg, William","Polymorphism in an unexpected caesium complex of 5-hydroxyhydurilic acid","Acta Crystallographica Section C","2005","61","10","m459","m462","10.1107/S0108270105029318","","","0.71073","MoKα","","0.0459","0.0435","","","0.0811","0.0818","","","","","","1.418","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015196","7.54","0.001","9.388","0.001","12.228","0.001","76.208","0.001","85.222","0.001","77.32","0.001","819.67","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-bis{[2,4-dichloro-6-(2- pyridylmethyliminomethyl)phenolato]zinc(II)}","","- C30 H24 Cl4 N4 O6 Zn2 -","- C30 H24 Cl4 N4 O6 Zn2 -","- C30 H24 Cl4 N4 O6 Zn2 -","1","0.5","SK1871","You, Zhong-Lu","Di-μ-acetato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]zinc(II)} and di-μ-thiocyanato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]copper(II)}","Acta Crystallographica Section C","2005","61","11","m466","m468","10.1107/S0108270105030192","","","0.71073","MoKα","","0.0578","0.0406","","","0.0995","0.1107","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015197","8.718","0.001","13.387","0.002","13.564","0.002","90","","103.305","0.002","90","","1540.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","di-μ-thiocyanato-bis{[2,4-dichloro-6-(2- pyridylmethyliminomethyl)phenolato]copper(II)}","","- C28 H18 Cl4 Cu2 N6 O2 S2 -","- C28 H18 Cl4 Cu2 N6 O2 S2 -","- C56 H36 Cl8 Cu4 N12 O4 S4 -","2","0.5","SK1871","You, Zhong-Lu","Di-μ-acetato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]zinc(II)} and di-μ-thiocyanato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]copper(II)}","Acta Crystallographica Section C","2005","61","11","m466","m468","10.1107/S0108270105030192","","","0.71073","MoKα","","0.082","0.0469","","","0.0911","0.1046","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015198","7.2773","0.0002","7.6207","0.0001","11.6821","0.0003","100.248","0.002","107.777","0.001","92.529","0.002","603.73","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N-(2-nitrophenyl)-2-iodobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C26 H18 I2 N4 O6 -","2","1","SK1872","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Contrasting three-dimensional framework structures in the isomeric pair 2-iodo-<i>N</i>-(2-nitrophenyl)benzamide and <i>N</i>-(2-iodophenyl)-2-nitrobenzamide","Acta Crystallographica Section C","2005","61","11","o634","o638","10.1107/S0108270105030180","","","0.71073","MoKα","","0.0197","0.0184","","","0.0448","0.0453","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015199","8.8908","0.0002","9.7468","0.0002","15.0112","0.0002","90","","90","","90","","1300.82","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2-iodophenyl)-2-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","SK1872","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Contrasting three-dimensional framework structures in the isomeric pair 2-iodo-<i>N</i>-(2-nitrophenyl)benzamide and <i>N</i>-(2-iodophenyl)-2-nitrobenzamide","Acta Crystallographica Section C","2005","61","11","o634","o638","10.1107/S0108270105030180","","","0.71073","MoKα","","0.0173","0.0165","","","0.0357","0.0361","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015200","7.3096","0.0002","10.9305","0.0004","15.3801","0.0005","90","","94.569","0.002","90","","1224.93","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-nitrobenzaldehyde isonicotinoylhydrazone","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1873","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four nitrobenzaldehyde isonicotinoylhydrazones at 120K: four different supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2005","61","12","o683","o689","10.1107/S0108270105032580","","","0.71073","MoKα","","0.0501","0.0413","","","0.1062","0.112","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015201","8.2161","0.0003","10.8475","0.0003","14.1397","0.0004","90","","106.292","0.0018","90","","1209.59","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-nitrobenzaldehyde isonicotinoylhydrazone","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1873","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four nitrobenzaldehyde isonicotinoylhydrazones at 120K: four different supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2005","61","12","o683","o689","10.1107/S0108270105032580","","","0.71073","MoKα","","0.0655","0.0449","","","0.118","0.1316","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015202","7.7821","0.0003","10.6633","0.0004","14.8417","0.0006","90","","100.799","0.002","90","","1209.8","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-nitrobenzaldehyde isonicotinoylhydrazone","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1873","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four nitrobenzaldehyde isonicotinoylhydrazones at 120K: four different supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2005","61","12","o683","o689","10.1107/S0108270105032580","","","0.71073","MoKα","","0.0867","0.0513","","","0.12","0.1392","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015203","6.7545","0.0002","13.8578","0.0005","15.2311","0.0005","90","","91.098","0.002","90","","1425.41","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-dinitrobenzaldehyde isonicotinoylhydrazone monohydrate","","- C13 H11 N5 O6 -","- C13 H11 N5 O6 -","- C52 H44 N20 O24 -","4","1","SK1873","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four nitrobenzaldehyde isonicotinoylhydrazones at 120K: four different supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2005","61","12","o683","o689","10.1107/S0108270105032580","","","0.71073","MoKα","","0.0516","0.0393","","","0.1068","0.1157","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015204","11.959","0.002","10.691","0.002","12.257","0.003","90","","104.93","0.03","90","","1514.2","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diisonicotinamidium squarate","bis(4-carbamoylpyridinium) squarate","","- C16 H14 N4 O6 -","- C16 H14 N4 O6 -","- C64 H56 N16 O24 -","4","0.5","SK1874","Köroglu, Ahmet; Bulut, Ahmet; Uçar, Ibrahim; Nichol, Gary S.; Harrington, Ross W.; Clegg, William","Proton sharing in bis(4-carbamoylpyridinium) squarate","Acta Crystallographica Section C","2005","61","12","o678","o680","10.1107/S0108270105032622","","","0.71073","MoKα","","0.0608","0.0387","","","0.0954","0.1051","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015205","11.93","0.002","21.79","0.004","7.77","0.0016","90","","90","","90","","2019.8","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N,N',N''-Tris(p-methoxyphenyl)phosphoric triamide","","- C21 H24 N3 O4 P -","- C21 H24 N3 O4 P -","- C84 H96 N12 O16 P4 -","4","1","SK1875","Li, Chenguang; Dyer, Daniel J.; Rath, Nigam P.; Robinson, Paul D.","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(<i>p</i>-methoxyphenyl)phosphoric triamide","Acta Crystallographica Section C","2005","61","11","o654","o656","10.1107/S0108270105031720","","","0.71073","MoKα","","0.05","0.04","","","0.094","0.1","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015206","15.6775","0.001","6.2641","0.0004","22.811","0.002","90","","124.292","0.006","90","","1850.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","hydronium diaqua-1κO,2κO-trichloro-1κCl;2κ^2^Cl-μ-dimethylglycinato-1κO:2κ^2^O',N- dimethylglycinato-1κ^2^N,O-dicuprate(II)","","- C8 H23 Cl3 Cu2 N2 O7 -","- C8 H23 Cl3 Cu2 N2 O7 -","- C32 H92 Cl12 Cu8 N8 O28 -","4","1","SK1876","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Martin-Gil, J.","Weak antiferromagnetic interactions in hydronium diaqua-1κ<i>O</i>,2κ<i>O</i>-trichloro-1κ<i>Cl</i>,2κ^2^<i>Cl</i>-μ-dimethylglycinato-1κ<i>O</i>:2κ^2^<i>O</i>',<i>N</i>-dimethylglycinato-1κ^2^<i>N</i>,<i>O</i>-dicuprate(II)","Acta Crystallographica Section C","2005","61","12","m507","m509","10.1107/S0108270105034141","","","0.71073","MoKα","","0.0525","0.0293","","","0.0774","0.0869","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015207","5.9538","0.0004","8.994","0.0006","18.7484","0.0008","90","","98.324","0.004","90","","993.37","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-Benzylethylammonium nitrate","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","SK1877","Abonia, Rodrigo; Rengifo, Emerson; Cobo, Justo; Low, John N.; Glidewell, Christopher","<i>N</i>-Benzylethylammonium nitrate: a three-dimensional hydrogen-bonded framework comprising substructures in zero, one and two dimensions","Acta Crystallographica Section C","2005","61","11","o645","o647","10.1107/S0108270105031719","","","0.71073","MoKα","","0.0541","0.0425","","","0.1239","0.1319","","","","","","1.113","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015208","4.965","0.0009","8.621","0.0017","10.261","0.0017","100.474","0.002","102.939","0.002","99.823","0.002","410.56","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","violuric acid methanol solvate","pyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime methanol solvate","","- C5 H7 N3 O5 -","- C5 H7 N3 O5 -","- C10 H14 N6 O10 -","2","1","SK1883","Nichol, Gary S.; Clegg, William","Hydrogen-bonding and carbonyl‒carbonyl interactions in violuric acid methanol solvate","Acta Crystallographica Section C","2005","61","12","o718","o721","10.1107/S010827010503605X","","","0.6751","synchrotron","","0.0461","0.041","","","0.1091","0.1127","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015209","7.2055","0.0002","9.6702","0.0004","12.9606","0.0006","93.9639","0.0019","92.624","0.002","107.904","0.002","855.15","0.06","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","(±)-methyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C20 H21 F2 N O3 -","- C20 H21 F2 N O3 -","- C40 H42 F4 N2 O6 -","2","1","SK1884","Linden, Anthony; Şimşek, Rahime; Gündz̈, Miyase; Şafak, Cihat","(±)-Methyl and (±)-ethyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section C","2005","61","12","o731","o734","10.1107/S0108270105037066","","","0.71073","MoKα","","0.0886","0.0528","","","0.1174","0.1372","","","","","","1.047","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015210","7.0677","0.0002","11.2167","0.0004","12.1844","0.0004","83.6482","0.0015","86.333","0.002","73.2481","0.0018","918.74","0.05","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","(±)-ethyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H23 F2 N O3 -","- C21 H23 F2 N O3 -","- C42 H46 F4 N2 O6 -","2","1","SK1884","Linden, Anthony; Şimşek, Rahime; Gündz̈, Miyase; Şafak, Cihat","(±)-Methyl and (±)-ethyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section C","2005","61","12","o731","o734","10.1107/S0108270105037066","","","0.71073","MoKα","","0.077","0.0519","","","0.1267","0.1429","","","","","","1.04","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015211","17.5504","0.0003","17.5504","0.0003","6.8504","0.0002","90","","90","","90","","2110.04","0.08","293","","293","","","","","","","","","5","I 4/m","-I 4","87","octakis(nitroso-acetato-palladium(II))","octakis(μ-acetato-κ^2^O:O)octakis(μ-nitroso-κ^2^N:O)octapalladium(II)","","- C16 H24 N8 O24 Pd8 -","- C16 H24 N8 O24 Pd8 -","- C32 H48 N16 O48 Pd16 -","2","0.125","SQ1216","Kirik, Sergei D.; Mulagaleev, Ruslan F.; Blokhin, Alexander I.","[Pd~8~(CH~3~COO)~8~(NO)~8~]: solution from X-ray powder diffraction data","Acta Crystallographica Section C","2005","61","10","m445","m447","10.1107/S0108270105027095","","","1.5418","CuKα","","","","","","","","","","1.39","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015212","10.292","0.001","10.292","0.001","8.1271","0.0008","90","","90","","120","","745.53","0.13","298","2","299","2","","","","","","","","4","P -3","-P 3","147","","tetrapotassium cobalt tetramolybdate","","- Co K4 Mo4 O15 -","- Co K4 Mo4 O15 -","- Co2 K8 Mo8 O30 -","2","0.333333","SQ1222","Engel, Jens; Ehrenberg, Helmut; Fuess, Hartmut","The K~2<i>n~</i>CoMo~2+<i>n~</i>O~7+4<i>n~</i> family of structures, with <i>n</i> = 2, 3 or 5","Acta Crystallographica Section C","2005","61","11","i111","i112","10.1107/S0108270105025242","","","0.71073","MoKα","","0.0663","0.045","","","0.0878","0.0938","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015213","8.0804","0.0006","10.3856","0.0004","24.2048","0.0011","90","","90.728","0.005","90","","2031.1","0.19","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","hexapotassium cobalt pentamolybdate","","- Co K6 Mo5 O19 -","- Co K6 Mo5 O19 -","- Co4 K24 Mo20 O76 -","4","1","SQ1222","Engel, Jens; Ehrenberg, Helmut; Fuess, Hartmut","The K~2<i>n~</i>CoMo~2+<i>n~</i>O~7+4<i>n~</i> family of structures, with <i>n</i> = 2, 3 or 5","Acta Crystallographica Section C","2005","61","11","i111","i112","10.1107/S0108270105025242","","","0.71073","MoKα","","0.0637","0.0439","","","0.1024","0.1142","","","","","","1.345","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015214","8.2459","0.0008","12.6631","0.0015","14.3286","0.0016","111.782","0.002","98.825","0.002","100.605","0.002","1324.7","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[diaqua[trans-3-(4-pyridyl)acrylato]samarium(III)]-di-μ-trans- 3-(4-pyridyl)acrylato] dihydrate]","","- C24 H26 N3 O10 Sm -","- C24 H26 N3 O10 Sm -","- C48 H52 N6 O20 Sm2 -","2","1","SQ1225","Zhu, Yan-Jun; Chen, Jin-Xiang; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping","<i>catena</i>-Poly[[[diaqua[<i>trans</i>-3-(4-pyridyl)acrylato]samarium(III)]-di-μ-<i>trans</i>-3-(4-pyridyl)acrylato] dihydrate]","Acta Crystallographica Section C","2005","61","11","m491","m493","10.1107/S0108270105031471","","","0.7107","MoKα","","0.0292","0.0267","","","0.0627","0.0641","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015215","6.4664","0.0006","6.1623","0.0005","13.0851","0.0011","90","","94.548","0.002","90","","519.77","0.08","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Disilver(I) dimercury(II) tris[tetraoxotellurate(VI)]","","- Ag2 Hg2 O12 Te3 -","- Ag2 Hg2 O12 Te3 -","- Ag4 Hg4 O24 Te6 -","2","0.5","SQ1228","Weil, Matthias","Ag~2~Hg~2~(TeO~4~)~3~","Acta Crystallographica Section C","2005","61","10","i103","i105","10.1107/S0108270105028210","","","0.71073","MoKα","","0.0307","0.0239","","","0.0501","0.0515","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015216","11.5352","0.001","23.39","0.002","25.239","0.002","90","","98.423","0.002","90","","6736.2","1","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-chloro-bis{bis[2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole- κ^2^C~2~,N]iridium(III)] dichloromethane disolvate","","- C66 H56 Cl6 Ir2 N8 O12 -","- C66 H56 Cl6 Ir2 N8 O12 -","- C264 H224 Cl24 Ir8 N32 O48 -","4","0.5","SQ1229","Chen, Lian-Qing; Yang, Chu-Luo; Qin, Jin-Gui","Di-μ-chloro-bis{bis[2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole- κ^2^<i>C</i>~2~,<i>N</i>]iridium(III)] dichloromethane disolvate","Acta Crystallographica, Section C","2005","61","","m513","m515","10.1107/S0108270105031951","","","0.71073","MoKα","","0.0712","0.0468","","","0.11","0.1221","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2015217","5.423","0.0002","16.2077","0.0009","24.0104","0.0013","90","","90","","90","","2110.38","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2',3'-Didehydro-2',3'-deoxythymidine","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C80 H96 N16 O32 -","8","2","SQ1230","Mirmehrabi, Mahmoud; Rohani, Sohrab; Jennings, Michael C.","Stavudine","Acta Crystallographica Section C","2005","61","12","o695","o698","10.1107/S0108270105034591","","","0.71073","MoKα","","0.0921","0.0586","","","0.146","0.1677","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015218","13.922","0.001","9.4366","0.0006","16.799","0.001","90","","126.08","0.01","90","","1783.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[Bis(1,5-dimethyl-1H-pyrazol-3-ylmethyl)amino]phenol monohydrate","","- C18 H25 N5 O2 -","- C18 H25 N5 O2 -","- C72 H100 N20 O8 -","4","1","SQ1231","El Kodadi, Mohamed; Ramdani, Abdelkrim; Fouad, Malek; Eddike, Driss; Tillard, Monique; Belin, Claude","4-[Bis(1,5-dimethyl-1<i>H</i>-pyrazol-3-ylmethyl)amino]phenol monohydrate","Acta Crystallographica Section C","2005","61","12","o735","o737","10.1107/S010827010503461X","","","0.71073","MoKα","","0.0679","0.0492","","","0.114","0.1237","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015219","8.6245","0.0007","11.6423","0.001","13.1778","0.0011","97.658","0.003","104.134","0.003","110.821","0.003","1163.44","0.17","298","2","","","","","","","","","","5","P -1","-P 1","2","","(±)-3-benzoyl-1,2-dimethyl-8a-phenyl-2-benzothieno[2,3-b]pyrrole- 1,2-dicarboxylic anhydride","","- C27 H21 N O4 S -","- C27 H21 N O4 S -","- C54 H42 N2 O8 S2 -","2","1","TA1509","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Cordaro, Massimiliano; Risitano, Francesco; Grassi, Giovanni","An unusual acid: (±)-3-benzoyl-1,2-dimethyl-8a-phenyl-2-benzothieno[2,3-<i>b</i>]pyrrole-1,2-dicarboxylic anhydride","Acta Crystallographica Section C","2005","61","10","o610","o612","10.1107/S010827010502874X","","","0.71073","MoKα","","","0.0511","","","","0.1619","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015220","5.421","0.002","7.266","0.003","8.717","0.005","71.6","0.06","79.26","0.06","77.63","0.05","315.6","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","dicalcium copper tetratellurium decaoxide dichloride","","- Ca2 Cl2 Cu O10 Te4 -","- Ca2 Cl2 Cu O10 Te4 -","- Ca2 Cl2 Cu O10 Te4 -","1","0.5","TA1512","Takagi, Rie; Johnsson, Mats","Ca~2~CuTe~4~O~10~Cl~2~, a new synthetic tellurium(IV) oxochloride","Acta Crystallographica Section C","2005","61","10","i106","i108","10.1107/S0108270105028234","","","0.71073","MoKα","","0.021","0.0182","","","0.0429","0.0439","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015221","9.2355","0.0008","9.6894","0.0008","17.1446","0.0015","75.775","0.002","80.917","0.002","81.553","0.002","1459.1","0.2","130","2","130","2","","","","","","","","4","P 1","P 1","1","brucinium dihydrogen citrate trihydrate","2,3-dimethoxy-10-oxostrychnidinium dihydrogencitrate trihydrate","","- C29 H40 N2 O14 -","- C29 H40 N2 O14 -","- C58 H80 N4 O28 -","2","2","TA1515","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in brucinium dihydrogen citrate trihydrate at 130 K","Acta Crystallographica Section C","2005","61","11","o621","o624","10.1107/S0108270105028222","","","0.71073","MoKα","","0.0481","0.0403","","","0.0729","0.0754","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019332","10.7355","0.0009","9.1456","0.0007","4.8304","0.0004","90","","106.46","0.01","90","","454.82","0.07","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P.","The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution","Acta Crystallographica Section A Foundations of Crystallography","2005","61","3","314","320","10.1107/S0108767305005039","","","0.71073","MoKα","","0.0346","0.0223","","","","0.0257","","","","","","1.3889","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019333","10.7621","0.001","9.1771","0.0009","4.7883","0.0005","90","","106.76","0.02","90","","452.83","0.09","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P.","The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution","Acta Crystallographica Section A Foundations of Crystallography","2005","61","3","314","320","10.1107/S0108767305005039","","","0.71073","MoKα","","0.0347","0.0228","","","","0.0237","","","","","","1.2422","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019334","10.7764","0.001","9.1947","0.0009","4.7788","0.0005","90","","106.87","0.02","90","","453.13","0.09","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P.","The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution","Acta Crystallographica Section A Foundations of Crystallography","2005","61","3","314","320","10.1107/S0108767305005039","","","0.71073","MoKα","","0.0272","0.0196","","","","0.0218","","","","","","1.2952","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2100000","4.2753","0.0015","8.311","0.003","14.092","0.005","107.23","0.03","93.53","0.02","97.17","0.03","471.9","0.3","293","10","293","","","","","","","","","5","P -1","-P 1","2","Bis(N-methyl-imidazolono)triphendioxazine","6,14-Dichlor-1,9-dimethyl-1,3,9,11-tetrahydro-diimidazo[4,5-b:4',5'-m] triphendioxazin-2,10-dion","","- C22 H12 Cl2 N6 O4 -","- C22 H12 Cl2 N6 O4 -","- C22 H12 Cl2 N6 O4 -","1","0.5","AV5015","Schmidt, Martin U.; Ermrich, Martin; Dinnebier, Robert E.","Determination of the structure of the violet pigment C~22~H~12~Cl~2~N~6~O~4~ from a non-indexed X-ray powder diagram","Acta Crystallographica Section B","2005","61","1","37","45","10.1107/S010876810402693X","","","1.54059","Cu-Ka","","0.162","","","","","0.212","","","","","","11.5","","","","has coordinates","202023","2020-10-21","18:00:00",""
"2100001","4.3346","","8.4193","","13.9057","","106.947","","92.9106","","95.118","","481.934","","","","293","","","","","","","","","5","P -1","-P 1","2","Bis(N-methyl-imidazolono)triphendioxazine","6,14-Dichlor-1,9-dimethyl-1,3,9,11-tetrahydro-diimidazo[4,5-b:4',5'-m] triphendioxazin-2,10-dion","","- C22 H12 Cl2 N6 O4 -","- C22 H12 Cl2 N6 O4 -","- C22 H12 Cl2 N6 O4 -","1","0.5","AV5015","Schmidt, Martin U.; Ermrich, Martin; Dinnebier, Robert E.","Determination of the structure of the violet pigment C~22~H~12~Cl~2~N~6~O~4~ from a non-indexed X-ray powder diagram","Acta Crystallographica Section B","2005","61","1","37","45","10.1107/S010876810402693X","","","1.54059","Cu-Ka","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100002","5.2696","0.0001","5.2696","0.0001","7.7105","0.0002","90","","90","","90","","214.106","0.008","293","","295","","","","","","","","","3","P 42/m","-P 4c","84","","","","- Ca F6 Tb -","- Ca F6 Tb -","- Ca2 F12 Tb2 -","2","0.25","","Josse, Michaël; Dubois, Marc; El-Ghozzi, Malika; Cellier, Joël; Avignant, Daniel","Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~: a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides","Acta Crystallographica, Section B: Structural Science","2005","61","1","1","10","10.1107/s0108768104026928","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100003","5.1877","0.00002","5.1877","0.00002","7.69451","0.00003","90","","90","","90","","207.077","0.001","293","","295","","","","","","","","","3","P 42/m","-P 4c","84","","","","- Cd F6 Tb -","- Cd F6 Tb -","- Cd2 F12 Tb2 -","2","0.25","","Josse, Michaël; Dubois, Marc; El-Ghozzi, Malika; Cellier, Joël; Avignant, Daniel","Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~: a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides","Acta Crystallographica, Section B: Structural Science","2005","61","1","1","10","10.1107/s0108768104026928","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2100004","15.1","0.001","3.6382","0.0002","10.0595","0.0007","90","0.009","105.585","0.006","90","0.009","532.32","0.06","9.6","0.5","9.6","0.5","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu0.63 O5 V2 -","- Cu0.624667 O5 V2 -","- Cu3.748 O30 V12 -","6","0.75","","Streltsov, Victor A.; Nakashima, Philip N. H.; Sobolev, Alexandre N.; Ozerov, Ruslan P.","Crystal structure study of a β'-copper vanadium bronze, Cu~x~V~2~O~5~ (x= 0.63), by X-ray and convergent beam electron diffraction","Acta Crystallographica, Section B: Structural Science","2005","61","1","17","24","10.1107/s0108768104027739","","","","","","","","","","","","","","","","","","","","","has coordinates","209106","2020-10-21","18:00:00",""
"2100005","10.8548","0.0002","9.752","0.0001","6.1152","0.0001","90","","90","","90","","647.331","0.017","363","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","4-piperidinic acid","piperidine-4-carboxylic acid","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","AV5021","Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli","Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid","Acta Crystallographica Section B","2005","61","1","96","102","10.1107/S0108768104031738","","","0.334971","Synchrotron","","","","","","","","","","2.37","","","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100006","11.7537","0.0005","10.1013","0.0005","5.5787","0.0002","90","","90","","90","","662.35","0.05","543","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-piperinic acid","piperidine-4-carboxylic acid","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","AV5021","Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli","Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid","Acta Crystallographica Section B","2005","61","1","96","102","10.1107/S0108768104031738","","","0.334971","synchrotron","","","","","","","","","","2.29","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100007","19.499","0.003","4.7884","0.0006","15.106","0.002","90","","90","","90","","1410.4","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenyl-pyrimidyne","","- C16 H16 N4 -","- C16 H16 N4 -","- C64 H64 N16 -","4","1","AV5023","Eugenia V. Peresypkina; Mark B. Bushuev; Alexander V. Virovets; Victor P. Krivopalov; Ludmila G. Lavrenova; Stanislav V. Larionov","Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II)","Acta Crystallographica Section B","2005","61","2","164","173","10.1107/S010876810403294X","","","0.71073","MoKα","","0.1646","0.0594","","","0.1363","0.1813","","","","","","0.91","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100008","7.2156","0.0003","11.6522","0.0004","20.3956","0.0008","90","","99.841","0.001","90","","1689.58","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenyl-pyrimidyne)dichlorocopper(II) green form","","- C16 H16 Cl2 Cu N4 -","- C16 H16 Cl2 Cu N4 -","- C64 H64 Cl8 Cu4 N16 -","4","1","AV5023","Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V.","Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II)","Acta Crystallographica Section B","2005","61","2","164","173","10.1107/S010876810403294X","","","0.71073","MoKα","","0.0467","0.0327","","","0.1006","0.1071","","","","","","0.936","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100009","11.6899","0.0006","14.9843","0.0008","19.2115","0.0009","90","","90","","90","","3365.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenyl-pyrimidyne)dichlorocopper(II) emerald green form","","- C16 H16 Cl2 Cu N4 -","- C16 H16 Cl2 Cu N4 -","- C128 H128 Cl16 Cu8 N32 -","8","1","AV5023","Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V.","Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II)","Acta Crystallographica Section B","2005","61","2","164","173","10.1107/S010876810403294X","","","0.71073","MoKα","","0.0614","0.0323","","","0.0834","0.0984","","","","","","0.862","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100010","9.7652","0.0006","18.7631","0.001","9.8115","0.0004","90","","108.544","0.001","90","","1704.38","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenyl-pyrimidyne)dichlorocopper(II) orange form","","- C16 H16 Cl2 Cu N4 -","- C16 H16 Cl2 Cu N4 -","- C64 H64 Cl8 Cu4 N16 -","4","1","AV5023","Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V.","Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II)","Acta Crystallographica Section B","2005","61","2","164","173","10.1107/S010876810403294X","","","0.71073","MoKα","","0.0363","0.029","","","0.0838","0.0877","","","","","","1.097","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100011","7.73","0.0005","12.0887","0.0008","11.1762","0.0008","90","","91.683","0.001","90","","1043.92","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cr N2 -","- C14 H10 Cr N2 -","- C56 H40 Cr4 N8 -","4","1","AV5032","Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu.","Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring","Acta Crystallographica Section B","2005","61","3","304","311","10.1107/S0108768105008797","","","0.71073","MoKα","","0.0466","0.0373","","","0.0819","0.0855","","","","","","1.023","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100012","12.9628","0.0019","12.0803","0.0018","13.61","0.002","90","","90","","90","","2131.3","0.5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cr N -","- C14 H13 Cr N -","- C112 H104 Cr8 N8 -","8","1","AV5032","Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu.","Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring","Acta Crystallographica Section B","2005","61","3","304","311","10.1107/S0108768105008797","","","0.71073","MoKα","","0.0922","0.0589","","","0.1324","0.1431","","","","","","1.054","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100013","9.7145","0.0013","7.8227","0.0011","15.74","0.002","90","","98.276","0.004","90","","1183.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cr F3 N -","- C14 H10 Cr F3 N -","- C56 H40 Cr4 F12 N4 -","4","1","AV5032","Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu.","Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring","Acta Crystallographica Section B","2005","61","3","304","311","10.1107/S0108768105008797","","","0.71073","MoKα","","0.0464","0.0415","","","0.103","0.1064","","","","","","1.005","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100014","3.984","0.001","7.863","0.002","9.357","0.002","90","","90","","90","","293.12","0.12","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","dichloromethane","","","- C H2 Cl2 -","- C H2 Cl2 -","- C4 H8 Cl8 -","4","0.5","","Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak","In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane","Acta Crystallographica, Section B","2005","61","","595","600","10.1107/S0108768105017374","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100015","3.924","0.001","7.793","0.002","9.335","0.002","90","","90","","90","","285.46","0.12","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","dichloromethane","","","- C H2 Cl2 -","- C H2 Cl2 -","- C4 H8 Cl8 -","4","0.5","","Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak","In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane","Acta Crystallographica, Section B","2005","61","","595","600","10.1107/S0108768105017374","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100016","9.883","","11.579","","15.089","","75.71","","73.51","","74.46","","1567.67","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 O -","- C18 H21.5 O -","- C72 H86 O4 -","4","2","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100017","14.89","","7.968","","4.844","","81.51","","84.22","","82.93","","562.091","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl2 N6 O8 Pd -","- C16 H14 Cl2 N6 O8 Pd -","- C16 H14 Cl2 N6 O8 Pd -","1","0.5","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100018","40.254","","12.53","","11.134","","90","","98.48","","90","","5554.4","","","","","","","","","","","","","5","C 1 2 1","","","","","","- C48 H70 I N11 O13 -","- C48 H70 I N11 O13 -","- C192 H280 I4 N44 O52 -","4","1","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","194525","2020-10-21","18:00:00",""
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"2100128","7.2685","","9.0937","","9.7803","","74.54","","84.6","","72.68","","594.735","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Cl Cu N3 O2 -","- C11 H10 Cl Cu N3 O2 -","- C22 H20 Cl2 Cu2 N6 O4 -","2","1","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2100129","8.7035","0.0002","12.496","0.0003","13.7034","0.0003","63.416","0.001","89.997","0.001","78.22","0.0009","1297.62","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N8 O4 -","- C27 H30 N8 O4 -","- C54 H60 N16 O8 -","2","1","","","","Acta Crystallographica, Section B","2005","61","","569","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100130","33.9318","0.0005","5.025","0.0001","30.4072","0.0006","90","","122.689","0.0008","90","","4363.47","0.14","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N7 O3 -","- C23 H27 N7 O3 -","- C184 H216 N56 O24 -","8","1","","","","Acta Crystallographica, Section B","2005","61","","569","576","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100131","10.533","0.0002","11.1912","0.0002","14.2829","0.0004","85.532","0.001","81.842","0.0011","63.019","0.0013","1485.02","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H36 Cl N9 O6 -","- C25 H36 Cl N9 O6 -","- C50 H72 Cl2 N18 O12 -","2","1","","","","Acta Crystallographica, Section B","2005","61","","569","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100132","10.4021","0.0003","15.3698","0.0006","16.6432","0.0007","90","","99.085","0.0016","90","","2627.5","0.17","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H33 N7 O5 -","- C24 H33 N7 O5 -","- C96 H132 N28 O20 -","4","1","","","","Acta Crystallographica, Section B","2005","61","","569","576","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100133","6.3425","0.0002","13.9448","0.0003","7.5021","0.0003","90","","107.66","0.0014","90","","632.25","0.04","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-Phenylethylammonium (R,R)-tartrate(1-)","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","1","BM5020","Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Supramolecular structures of 1-phenylethylammonium tartrates","Acta Crystallographica Section B","2005","61","1","103","114","10.1107/S0108768104029684","","","0.71073","MoKα","","0.0364","0.0316","","","0.074","0.0772","","","","","","1.086","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100134","7.3025","0.0002","22.8901","0.0011","8.1193","0.0003","90","","96.599","0.002","90","","1348.19","0.09","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-Phenylethylammonium rac-tartrate(1-)","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","2","BM5020","Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Supramolecular structures of 1-phenylethylammonium tartrates","Acta Crystallographica Section B","2005","61","1","103","114","10.1107/S0108768104029684","","","0.71073","MoKα","","0.0568","0.0473","","","0.121","0.1295","","","","","","1.058","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100135","7.2952","0.0002","22.8935","0.0011","8.11","0.0003","90","","96.603","0.002","90","","1345.49","0.09","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-Phenylethylammonium (R,R)-tartrate(1-)","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","2","BM5020","Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Supramolecular structures of 1-phenylethylammonium tartrates","Acta Crystallographica Section B","2005","61","1","103","114","10.1107/S0108768104029684","","","0.71073","MoKα","","0.0621","0.0395","","","0.0813","0.0913","","","","","","1.038","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100136","5.562","0.0002","16.063","0.0003","11.826","0.0004","90","","103.281","0.0012","90","","1028.31","0.05","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","bis-(S)-1-Phenylethylammonium (R,R)-tartrate(2-)","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","1","BM5020","Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Supramolecular structures of 1-phenylethylammonium tartrates","Acta Crystallographica Section B","2005","61","1","103","114","10.1107/S0108768104029684","","","0.71073","MoKα","","0.0418","0.035","","","0.0884","0.0937","","","","","","1.048","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100137","8.3381","0.0014","22.738","0.004","10.819","0.0018","90","","90.12","0.003","90","","2051.2","0.6","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","bis-rac-1-Phenylethylammonium (R,R)-tartrate(2-)","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","2","BM5020","Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Supramolecular structures of 1-phenylethylammonium tartrates","Acta Crystallographica Section B","2005","61","1","103","114","10.1107/S0108768104029684","","","0.69","synchrotron","","0.0558","0.0535","","","0.1499","0.1514","","","","","","1.163","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100138","9.0822","0.0003","15.7819","0.0005","15.904","0.0005","108.746","0.0015","96.858","0.002","90.06","0.0018","2141.33","0.12","150","1","150","1","","","","","","","","4","P 1","P 1","1","","bis-(R)-1.Phenylethylammonium rac-tartrate(2-)","","- C41 H60 N4 O13 -","- C41 H60 N4 O13 -","- C82 H120 N8 O26 -","2","2","BM5020","Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Supramolecular structures of 1-phenylethylammonium tartrates","Acta Crystallographica Section B","2005","61","1","103","114","10.1107/S0108768104029684","","","0.71073","MoKα","","0.0879","0.0507","","","0.1137","0.132","","","","","","1.044","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100139","20.247","0.002","18.212","0.002","27.665","0.003","90","","102.94","0.01","90","","9942.1","1.9","90","0.2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N''-cyano-N,N-diisopropylguanidine","","- C8 H16 N4 -","- C8 H16 N4 -","- C320 H640 N160 -","40","10","BM5021","Hao, Xiang; Chen, Jing; Cammers, Arthur; Parkin, Sean; Brock, Carolyn Pratt","A helical structure with <i>Z</i>' = 10","Acta Crystallographica Section B","2005","61","2","218","226","10.1107/S0108768105004076","","","0.71073","MoKα","","0.101","0.0499","","","0.1112","0.1314","","","","","","0.996","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100140","4.1092","0.0001","6.7843","0.0001","48.6775","0.001","90","","90","","90","","1357.03","0.05","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(4-Iodophenyl)-4-nitrophthalimide","","- C14 H7 I N2 O4 -","- C14 H7 I N2 O4 -","- C56 H28 I4 N8 O16 -","4","1","BM5022","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions","Acta Crystallographica Section B","2005","61","2","227","237","10.1107/S0108768105004234","","","0.71073","MoKα","","0.0402","0.032","","","0.0984","0.1187","","","","","","1.213","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100141","7.9592","0.0009","6.5708","0.0007","25.648","0.003","90","","97.96","0.003","90","","1328.4","0.3","291","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3-Iodophenyl)-4-nitrophthalimide","","- C14 H7 I N2 O4 -","- C14 H7 I N2 O4 -","- C56 H28 I4 N8 O16 -","4","1","BM5022","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions","Acta Crystallographica Section B","2005","61","2","227","237","10.1107/S0108768105004234","","","0.71073","MoKα","","0.2007","0.0488","","","0.073","0.0974","","","","","","0.766","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100142","13.4591","0.0006","7.6018","0.0003","14.7086","0.0007","90","","110.592","0.001","90","","1408.74","0.11","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Iodophenyl)-4-nitrophthalimide","","- C14 H7 I N2 O4 -","- C14 H7 I N2 O4 -","- C56 H28 I4 N8 O16 -","4","1","BM5022","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions","Acta Crystallographica Section B","2005","61","2","227","237","10.1107/S0108768105004234","","","0.71073","MoKα","","0.0721","0.043","","","0.1183","0.1344","","","","","","1.033","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100143","7.5238","0.0001","22.6556","0.0005","7.9201","0.0001","90","","107.382","0.0016","90","","1288.38","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-Iodophenyl)-3-nitrophthalimide","","- C14 H7 I N2 O4 -","- C14 H7 I N2 O4 -","- C56 H28 I4 N8 O16 -","4","1","BM5022","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions","Acta Crystallographica Section B","2005","61","2","227","237","10.1107/S0108768105004234","","","0.71073","MoKα","","0.0248","0.0221","","","0.0508","0.0518","","","","","","1.088","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100144","6.807","0.0001","13.0955","0.0002","14.8369","0.0003","90","","90","","90","","1322.58","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(3-Iodophenyl)-3-nitrophthalimide","","- C14 H7 I N2 O4 -","- C14 H7 I N2 O4 -","- C56 H28 I4 N8 O16 -","4","1","BM5022","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions","Acta Crystallographica Section B","2005","61","2","227","237","10.1107/S0108768105004234","","","0.71073","MoKα","","0.0265","0.0247","","","0.0535","0.0543","","","","","","1.064","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100145","20.099","0.0004","19.844","0.0003","13.424","0.0002","90","","90","","90","","5354.09","0.16","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11.33 H12.95 O48 Si24 -","- C11.333 H12.952 O48 Si24 -","- C45.332 H51.808 O192 Si96 -","4","1","BS5009","Nishi, Koji; Hidaka, Akira; Yokomori, Yoshinobu","Structure of toluene6.4-ZSM-5 and the toluene disproportionation reaction on ZSM-5","Acta Crystallographica Section B","2005","61","2","160","163","10.1107/S0108768105003186","","","1.54178","CuKα","","0.0665","0.0582","","","0.1635","0.1718","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2100146","5.651","0.0012","5.0642","0.001","9.3185","0.0019","90","","107.518","0.004","90","","254.31","0.09","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H5 F O -","- C6 H5 F O -","- C12 H10 F2 O2 -","2","1","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.0427","0.0373","","0.0921","0.09","0.0921","","","","","","1.0473","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100147","5.6747","0.0009","5.076","0.0004","9.4753","0.0013","90","","107.832","0.011","90","","259.82","0.06","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H5 F O -","- C6 H5 F O -","- C12 H10 F2 O2 -","2","1","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.0666","0.0638","","0.1604","0.159","0.1604","","","","","","1.1471","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100148","3.9846","0.0005","13.9272","0.0019","20.699","0.003","90","","90","","90","","1148.7","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 Cl O -","- C6 H5 Cl O -","- C48 H40 Cl8 O8 -","8","2","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.0949","0.0685","","0.1425","0.1314","0.1425","","","","","","0.9424","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100149","4.0949","0.0004","13.875","0.003","20.716","0.003","90","","90","","90","","1177","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 Cl O -","- C6 H5 Cl O -","- C48 H40 Cl8 O8 -","8","2","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.1462","0.0978","","0.2444","0.2171","0.2444","","","","","","0.9863","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100150","8.7086","0.0011","15.4523","0.0019","8.7414","0.0011","90","","93.954","0.002","90","","1173.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl O -","- C6 H5 Cl O -","- C48 H40 Cl8 O8 -","8","2","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.0454","0.0387","","0.1006","0.0966","0.1006","","","","","","0.7348","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100151","3.9724","0.0005","12.7328","0.0017","23.155","0.003","90","","94.126","0.002","90","","1168.1","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl O -","- C6 H5 Cl O -","- C48 H40 Cl8 O8 -","8","2","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.059","0.0434","","0.1102","0.101","0.1102","","","","","","0.7469","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100152","4.1096","0.0004","12.7665","0.001","23.181","0.003","90","","94.201","0.014","90","","1212.9","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl O -","- C6 H5 Cl O -","- C48 H40 Cl8 O8 -","8","2","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.101","0.0549","","0.1604","0.1375","0.1604","","","","","","1.0321","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100153","17.1336","0.001","8.2766","0.0005","11.4975","0.0007","90","","100.234","0.002","90","","1604.5","0.17","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 F O -","- C6 H5 F O -","- C72 H60 F12 O12 -","12","1.5","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.0876","0.0562","","0.1107","0.1032","0.1107","","","","","","1.0751","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2100154","5.7168","0.0007","9.9997","0.0019","17.868","0.002","90","","90","","90","","1021.4","0.3","403","","403","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 F O -","- C6 H5 F O -","- C48 H40 F8 O8 -","8","2","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.121","0.0834","","0.2506","0.2201","0.2506","","","","","","0.9365","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100155","8.999","0.001","8.999","0.001","11.566","0.002","90","","90","","90","","936.6","0.2","200","","200","","","","","","","","","3","P 4/n c c :1","P 4ab 2n -1ab","130","","","","- H18 O10 Sr -","- H18 O10 Sr -","- H72 O40 Sr4 -","4","0.25","BS5014","Ricci, John S.; Stevens, Raymond C.; McMullan, Richard K.; Klooster, Wim T.","Structure of strontium hydroxide octahydrate, Sr(OH)~2~·8H~2~O, at 20, 100 and 200K from neutron diffraction","Acta Crystallographica Section B","2005","61","4","381","386","10.1107/S0108768105013480","","neutron","1.1594","neutron","","0.038","0.038","","0.051","0.051","","","","1.069","1.069","1.069","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"2100156","8.99","0.001","8.99","0.001","11.534","0.002","90","","90","","90","","932.2","0.2","100","","100","","","","","","","","","3","P 4/n c c :1","P 4ab 2n -1ab","130","","","","- H18 O10 Sr -","- H18 O10 Sr -","- H72 O40 Sr4 -","4","0.25","BS5014","Ricci, John S.; Stevens, Raymond C.; McMullan, Richard K.; Klooster, Wim T.","Structure of strontium hydroxide octahydrate, Sr(OH)~2~·8H~2~O, at 20, 100 and 200K from neutron diffraction","Acta Crystallographica Section B","2005","61","4","381","386","10.1107/S0108768105013480","","neutron","1.1594","neutron","","0.037","0.037","","0.05","0.05","","","","1.128","1.128","1.128","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"2100157","8.984","0.001","8.984","0.001","11.517","0.002","90","","90","","90","","929.6","0.2","20","","20","","","","","","","","","3","P 4/n c c :1","P 4ab 2n -1ab","130","","","","- H18 O10 Sr -","- H18 O10 Sr -","- H72 O40 Sr4 -","4","0.25","BS5014","Ricci, John S.; Stevens, Raymond C.; McMullan, Richard K.; Klooster, Wim T.","Structure of strontium hydroxide octahydrate, Sr(OH)~2~·8H~2~O, at 20, 100 and 200K from neutron diffraction","Acta Crystallographica Section B","2005","61","4","381","386","10.1107/S0108768105013480","","neutron","1.1594","neutron","","0.031","0.031","","0.044","0.044","","","","1.079","1.079","1.079","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"2100158","15.387","0.0005","10.512","0.0005","11.927","0.0005","90","","121.85","0.01","90","","1638.7","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethylenebis(1-indenyl)zirconium dichloride","","- C20 H16 Cl2 Zr -","- C20 H16 Cl2 Zr -","- C80 H64 Cl8 Zr4 -","4","0.5","BS5015","Stash, Adam I.; Tanaka, Kiyoaki; Shiozawa, Kazunari; Makino, Hitoshi; Tsirelson, Vladimir G.","Atomic interactions in ethylenebis(1-indenyl)zirconium dichloride as derived by experimental electron density analysis","Acta Crystallographica Section B","2005","61","4","418","428","10.1107/S0108768105014114","","","0.71073","MoKα","","0.0339","0.0298","","","0.0698","0.0721","","","","","","1.016","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100159","7.3056","0.0011","31.1632","0.0018","9.1659","0.0015","90","","90","","90","","2086.8","0.5","293","2","293","2","","","","","","","","4","P b n 21","","","","","","- B32 K16 Nb16 O96 -","- B8 K4 Nb4 O24 -","- B32 K16 Nb16 O96 -","4","1","CK5006","Schmid, Siegbert; Wagner, Trixie","Structure of KNbOB~2~O~5~ ‒ a commensurately modulated structure","Acta Crystallographica Section B","2005","61","4","361","366","10.1107/S0108768105016393","","","0.71069","MoKα","","0.0275","0.0237","","","0.0628","0.0651","","","","","","0.971","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100160","30.5936","0.001","18.8967","0.0003","12.8288","0.0005","90.18","0.002","111.561","0.002","90.083","0.002","6897.5","0.4","122","1","122","1","","","","","","","","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","trans-dicyanato-(1,4,8,11-tetraazacyclotetradecane)mangan(III)perchlorate","","- C12 H24 Cl Mn N6 O6 -","- C12 H24 Cl Mn N6 O6 -","- C192 H384 Cl16 Mn16 N96 O96 -","16","","CK5009","A. David Rae; Susanne Mossin; Henning O. Sørensen","Structure refinement of a twinned pseudo-symmetric crystal of [Mn(C~10~H~24~N~4~)(NCO)~2~]^+^·ClO_4^-","Acta Crystallographica Section B","2005","61","4","407","417","10.1107/S0108768105015211","","","0.71073","MoKα","","0.086","0.041","","","0.054","0.061","","","","","","1.31","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100161","13.825","0.004","5.0531","0.0016","18.804","0.006","90","","102.9","0.006","90","","1280.5","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-arginine complex","","","- C18 H42 N8 O10 -","- C18 H42 N8 O10 -","- C36 H84 N16 O20 -","2","0.5","DE5013","Vijayan, M","X-ray studies on crystalline complexes involving amino acids and peptides. XLII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-arginine and supramolecular association in arginine‒dicarboxylic acid complexes","Acta Crystallographica Section B","2005","61","1","89","95","10.1107/S0108768104030010","","","0.71073","MoKα","","0.0665","0.0543","","","0.1211","0.1278","","","","","","1.05","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2100162","12.494","0.004","5.951","0.0017","16.719","0.005","90","","105.977","0.005","90","","1195.1","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-arginine complex","","","- C18 H38 N8 O8 -","- C18 H38 N8 O8 -","- C36 H76 N16 O16 -","2","1","DE5013","Vijayan, M","X-ray studies on crystalline complexes involving amino acids and peptides. XLII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-arginine and supramolecular association in arginine‒dicarboxylic acid complexes","Acta Crystallographica Section B","2005","61","1","89","95","10.1107/S0108768104030010","","","0.71073","MoKα","","0.0428","0.0387","","","0.1084","0.1131","","","","","","0.855","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100163","9.3538","0.0007","12.1757","0.0011","7.2286","0.0006","90","","104.593","0.004","90","","796.7","0.12","190","","190","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H4 N2 O2 -","- C3 H4 N2 O2 -","- C24 H32 N16 O16 -","8","1","DE5014","Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P.","A third blind test of crystal structure prediction","Acta Crystallographica Section B","2005","61","5","511","527","10.1107/S0108768105016563","","","0.71073","MoKα","","0.0611","0.0611","","0.1313","0.1313","0.1313","","","","","","1.1316","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100164","4.202","0.001","20.956","0.004","9.276","0.002","90","","100.63","0.03","90","","802.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 I2 O2 -","- C22 H8 I2 O2 -","- C44 H16 I4 O4 -","2","0.5","DE5014","Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P.","A third blind test of crystal structure prediction","Acta Crystallographica Section B","2005","61","5","511","527","10.1107/S0108768105016563","","","0.71072","MoKα","","0.0544","0.0355","","","0.0773","0.0832","","","","","","1.058","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100165","12.5693","0.0004","4.8531","0.0001","17.2663","0.0005","90","","99.1624","0.0015","90","","1039.81","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O5 -","- C9 H9 N3 O5 -","- C36 H36 N12 O20 -","4","1","DE5014","Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P.","A third blind test of crystal structure prediction","Acta Crystallographica Section B","2005","61","5","511","527","10.1107/S0108768105016563","","","0.71073","MoKα","","0.0424","0.0317","","0.0837","0.078","0.078","","","","","","1.0388","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100166","9.507","0.003","9.122","0.003","9.79","0.003","90","","117.469","0.004","90","","753.3","0.4","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","azetidine","","- C3 H7 N -","- C3 H7 N -","- C24 H56 N8 -","8","2","DE5014","Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P.","A third blind test of crystal structure prediction","Acta Crystallographica Section B","2005","61","5","511","527","10.1107/S0108768105016563","","","0.71073","MoKα","","0.0851","0.0501","","0.1661","0.1257","0.1661","","","","","","1.0092","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100183","7.65217","0.00017","19.8637","0.0005","4.98773","0.00013","92.0279","0.001","106.261","0.0007","97.1529","0.0008","720.18","0.03","293","","293","","","","","","","","","3","P 1","P 1","1","stable alpha-lactose","4-O-beta-D-galactopyranosyl-D-glucopyranose","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","2","LC5010","Platteau, Cyril; Lefebvre, Jacques; Affouard, Frederic; Willart, Jean-François; Derollez, Patrick; Mallet, Franck","Structure determination of the stable anhydrous phase of α-lactose from X-ray powder diffraction","Acta Crystallographica Section B","2005","61","2","185","191","10.1107/S0108768105000455","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100184","28.056","0.006","4.1048","0.0009","10.58","0.002","90","","110.572","0.004","90","","1140.7","0.4","299","2","299","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi2 Cu3.26 I2.62 S3.38 -","- Bi2 Cu3.271 I2.625 S3.38 -","- Bi8 Cu13.084 I10.5 S13.52 -","4","0.5","LC5011","Tonci Balic-Zunic; Konstantin Mariolacos; Emil Makovicky","Structure of a synthetic halogen sulfosalt, Cu~3~Bi~2~S~3~I~3~","Acta Crystallographica Section B","2005","61","3","239","245","10.1107/S0108768105008530","","","0.71073","MoKα","","0.0813","0.0485","","","0.1176","0.1291","","","","","","0.892","","","","has coordinates,has Fobs","201214","2020-10-21","18:00:00",""
"2100185","10.6907","0.0002","47.1248","0.0011","6.80017","0.00015","90","","94.1849","0.0008","90","","3416.77","0.13","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenobarbital","5-ethyl-5-phenylbarbituric acid","","- C144 H144 N24 O36 -","- C12 H12 N2 O3 -","- C144 H144 N24 O36 -","12","3","LC5012","Platteau, Cyril; Lefebvre, Jacques; Hemon, Stephanie; Baehtz, Carsten; Danede, Florence; Prevost, Dominique","Structure determination of forms I and II of phenobarbital from X-ray powder diffraction","Acta Crystallographica Section B","2005","61","1","80","88","10.1107/S0108768104031143","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100186","10.7313","0.0003","23.5112","0.0007","6.78309","0.00018","90.9687","0.0009","94.4757","0.0009","88.1533","0.0012","1705.13","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","phenobarbital","5-ethyl-5-phenylbarbituric acid","","- C144 H144 N24 O36 -","- C12 H12 N2 O3 -","- C72 H72 N12 O18 -","6","3","LC5012","Platteau, Cyril; Lefebvre, Jacques; Hemon, Stephanie; Baehtz, Carsten; Danede, Florence; Prevost, Dominique","Structure determination of forms I and II of phenobarbital from X-ray powder diffraction","Acta Crystallographica Section B","2005","61","1","80","88","10.1107/S0108768104031143","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100187","4.96183","0.000013","7.96914","0.00002","5.742852","0.000015","90","","90","","90","","227.081","0.001","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","aragonite","","","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","LC5015","Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil","On the structure of aragonite","Acta Crystallographica Section B","2005","61","2","129","132","10.1107/S0108768105005240","","","0.49581","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100188","4.91427","0.00012","4.91427","","5.4058","0.0002","90","","90","","120","","113.06","0.005","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","LC5015","Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil","On the structure of aragonite","Acta Crystallographica Section B","2005","61","2","129","132","10.1107/S0108768105005240","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100189","4.987","0.0006","4.987","","17.058","0.002","90","","90","","120","","367.4","0.06","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","LC5015","Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil","On the structure of aragonite","Acta Crystallographica Section B","2005","61","2","129","132","10.1107/S0108768105005240","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"2100190","6.1803","0.0005","6.1898","0.0006","6.1993","0.0005","90.041","0.009","90.129","0.009","90.239","0.007","237.15","0.04","5","","5","","","","","","","","","2","P -1","-P 1","2","d-hexamethylbenzene","1,2,3,4,5,6-hexadeuteromethylbenzene","","- C12 D18 -","- C12 D18 -","- C12 D18 -","1","0.5","LC5016","Stride, J.A.","Determination of the low-temperature structure of hexamethylbenzene","Acta Crystallographica Section B","2005","61","2","200","206","10.1107/S0108768104034007","","","1.594","monchromaticbeam","","","","","","","","","","3.9","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100191","6.1934","0.001","6.2008","0.0013","6.2102","0.0009","90.012","0.015","90.116","0.019","90.266","0.013","238.49","0.07","","","80","","","","","","","","","2","P -1","-P 1","2","d-hexamethylbenzene","1,2,3,4,5,6-hexadeuteromethylbenzene","","- C12 D18 -","- C12 D18 -","- C12 D18 -","1","0.5","LC5016","Stride, J.A.","Determination of the low-temperature structure of hexamethylbenzene","Acta Crystallographica Section B","2005","61","2","200","206","10.1107/S0108768104034007","","","1.594","monchromaticbeam","","","","","","","","","","4.44","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100192","6.2055","0.0015","6.212","0.002","6.2214","0.0011","90","0.02","90.06","0.03","90.195","0.018","239.82","0.11","","","110","","","","","","","","","2","P -1","-P 1","2","d-hexamethylbenzene","1,2,3,4,5,6-hexadeuteromethylbenzene","","- C12 D18 -","- C12 D18 -","- C12 D18 -","1","0.5","LC5016","Stride, J.A.","Determination of the low-temperature structure of hexamethylbenzene","Acta Crystallographica Section B","2005","61","2","200","206","10.1107/S0108768104034007","","","1.594","monchromaticbeam","","","","","","","","","","4.4","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100193","6.211","0.002","6.219","0.003","6.2257","0.0019","90","0.04","90.02","0.05","90.17","0.02","240.47","0.16","","","125","","","","","","","","","2","P -1","-P 1","2","d-hexamethylbenzene","1,2,3,4,5,6-hexadeuteromethylbenzene","","- C12 D18 -","- C12 D18 -","- C12 D18 -","1","0.5","LC5016","Stride, J.A.","Determination of the low-temperature structure of hexamethylbenzene","Acta Crystallographica Section B","2005","61","2","200","206","10.1107/S0108768104034007","","","1.594","monchromaticbeam","","","","","","","","","","4.61","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100194","6.2157","0.0012","6.2221","0.0018","6.2284","0.0012","90","0.02","90.02","0.02","90.139","0.016","240.88","0.1","","","129","","","","","","","","","2","P -1","-P 1","2","d-hexamethylbenzene","1,2,3,4,5,6-hexadeuteromethylbenzene","","- C12 D18 -","- C12 D18 -","- C12 D18 -","1","0.5","LC5016","Stride, J.A.","Determination of the low-temperature structure of hexamethylbenzene","Acta Crystallographica Section B","2005","61","2","200","206","10.1107/S0108768104034007","","","1.594","monchromaticbeam","","","","","","","","","","2.79","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100195","6.2183","0.0019","6.222","0.003","6.2281","0.0018","90.01","0.04","90.03","0.03","90.12","0.03","240.97","0.15","","","132","","","","","","","","","2","P -1","-P 1","2","d-hexamethylbenzene","1,2,3,4,5,6-hexadeuteromethylbenzene","","- C12 D18 -","- C12 D18 -","- C12 D18 -","1","0.5","LC5016","Stride, J.A.","Determination of the low-temperature structure of hexamethylbenzene","Acta Crystallographica Section B","2005","61","2","200","206","10.1107/S0108768104034007","","","1.594","monchromaticbeam","","","","","","","","","","4.38","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100196","5.236","0.0008","6.1845","0.0008","7.952","0.001","103.816","0.012","98.46","0.012","100.057","0.011","241.36","0.06","","","140","","","","","","","","","2","P -1","-P 1","2","d-hexamethylbenzene","1,2,3,4,5,6-hexadeuteromethylbenzene","","- C12 D18 -","- C12 D18 -","- C12 D18 -","1","0.5","LC5016","Stride, J.A.","Determination of the low-temperature structure of hexamethylbenzene","Acta Crystallographica Section B","2005","61","2","200","206","10.1107/S0108768104034007","","","1.594","monchromaticbeam","","","","","","","","","","2.72","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100197","10.1282","0.0004","10.2303","0.0005","8.31325","0.00035","90","","93.2908","0.0017","90","","859.95","0.07","180","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","gamma butyrolactone","","","- C4 H6 O2 -","- C4 H6 O2 -","- C32 H48 O16 -","8","2","","Papoular, Robert J; Allouchi, Hassan; Chagnes, Alexandre; Dzyabchenko, Alexander V; Carre, Bernard; Lemordant, Daniel; Agafonov, Viatcheslav","X-Ray powder diffraction structure determination of γ-butyrolactone at 180 K. Phase problem solution from the lattice energy minimization with two independent molecules.","Acta Crystallographica, Section B","2005","61","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100198","11.309","0.001","11.785","0.001","12.002","0.001","90","","90","","90","","1599.65","","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Strychnine","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Messerschmidt, Marc; Scheins, Stephan; Luger, Peter","Charge density of (–)-strychnine from 100 to 15 K, a comparison of four data sets","Acta Crystallographica, Section B: Structural Science","2005","61","1","115","121","10.1107/s0108768104032781","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100199","11.326","0.001","11.765","0.001","11.994","0.001","90","","90","","90","","1598.2","0.2","25","","25","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Strychnine","Strychnine","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","LC5019","Messerschmidt, Marc; Scheins, Stephan; Luger, Peter","Charge density of (‒)-strychnine from 100 to 15 K, a comparison of four data sets","Acta Crystallographica, Section B: Structural Science","2005","61","1","115","121","10.1107/s0108768104032781","","","0.71073","MoKα","","0.021","0.017","","","","0.0182","","","","","","0.9299","","","","has coordinates","249495","2020-10-21","18:00:00",""
"2100200","11.309","0.001","11.785","0.001","12.002","0.001","90","","90","","90","","1599.65","","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Strychnine","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Messerschmidt, Marc; Scheins, Stephan; Luger, Peter","Charge density of (–)-strychnine from 100 to 15 K, a comparison of four data sets","Acta Crystallographica, Section B: Structural Science","2005","61","1","115","121","10.1107/s0108768104032781","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100201","11.326","0.001","11.765","0.001","11.994","0.001","90","","90","","90","","1598.2","0.2","25","","15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Strychnine","Strychnine","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","LC5019","Messerschmidt, Marc; Scheins, Stephan; Luger, Peter","Charge density of (‒)-strychnine from 100 to 15 K, a comparison of four data sets","Acta Crystallographica, Section B: Structural Science","2005","61","1","115","121","10.1107/s0108768104032781","","","0.53","MoKα","","0.0228","0.02","","","","0.0209","","","","","","1.213","","","","has coordinates","249495","2020-10-21","18:00:00",""
"2100202","14.9372","0.0005","14.9372","0.0005","6.898","0.0002","90","","90","","120","","1332.88","0.07","278","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","caffeine","1,3,7-Trimethylpurine-2,6-dione","","- C8 H10 N4 O2 -","- C24 H30 N12 O6 -","- C144 H180 N72 O36 -","6","0.333333","LC5020","Derollez, Patrick; Correia, Natália T.; Danède, Florence; Capet, Frédéric; Affouard, Frédéric; Lefebvre, Jacques; Descamps, Marc","<i>Ab initio</i> structure determination of the high-temperature phase of anhydrous caffeine by X-ray powder diffraction","Acta Crystallographica Section B","2005","61","3","329","334","10.1107/S010876810500546X","","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","203178","2020-10-21","18:00:00",""
"2100203","7.431","0.006","13.769","0.009","14.944","0.013","90","","90","","90","","1529","2","25","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","morphine hydrate","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","LC5024","Scheins, Stephan; Messerschmidt, Marc; Luger, Peter","Submolecular partitioning of morphine hydrate based on its experimental charge density at 25K","Acta Crystallographica Section B","2005","61","4","443","448","10.1107/S010876810501637X","","","0.7107","MoKa","","0.0337","0.0225","","","","0.0201","","","","","","0.65","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100204","7.6258","0.0004","19.6559","0.001","5.0613","0.0003","95.646","0.002","105.43","0.002","80.996","0.002","721.01","0.07","295","","293","","","","","","","","","3","P 1","P 1","1","mixed alpha/beta lactose","4-O-beta-D-galactopyranosyl-D-glucopyranose","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","2","LC5025","Lefebvre, Jacques; Willart, J.-F.; Caron, V.; Lefort, R.; Affouard, F.; Danède, F.","Structure determination of the 1/1 α/β mixed lactose by X-ray powder diffraction","Acta Crystallographica Section B","2005","61","4","455","463","10.1107/S0108768105017064","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100205","9.5305","0.0003","9.5305","0.0003","7.5479","0.0002","90","","90","","120","","593.73","0.03","90","1","90","1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- B4 Fe3 Gd O12 -","- B4 Fe3 Gd O12 -","- B12 Fe9 Gd3 O36 -","3","0.5","","Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M.","Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4","Acta Crystallographica, Section B: Structural Science","2005","61","5","481","485","10.1107/s0108768105017362","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100206","9.5203","0.0006","9.5203","0.0006","7.5439","0.0005","90","","90","","120","","592.15","0.07","297","1","297","1","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B4 Fe3 Gd O12 -","- B4 Fe3 Gd O12 -","- B12 Fe9 Gd3 O36 -","3","0.166667","","Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M.","Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4","Acta Crystallographica, Section B: Structural Science","2005","61","5","481","485","10.1107/s0108768105017362","","","","","","","","","","","","","","","","","","","","","has coordinates","256862","2020-10-21","18:00:00",""
"2100207","18.998","0.009","24.82","0.01","16.662","0.007","90","","105.29","0.03","90","","7579","6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(4-chlorophenoxy) acetic acid/beta-Cyclodextrin complex","","- C50 H77 Cl O55.25 -","- C50 H45 Cl O55.2 -","- C200 H180 Cl4 O220.8 -","4","1","NS5002","Tsorteki, Frantzeska; Bethanis, Kostas; Pinotsis, Nikos; Giastas, Petros; Mentzafos, Dimitris","Inclusion compounds of plant growth regulators in cyclodextrins. V. 4-Chlorophenoxyacetic acid encapsulated in β-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin","Acta Crystallographica Section B","2005","61","2","207","217","10.1107/S0108768105004106","","","1.5418","CuKα","","0.2023","0.1231","","","0.3139","0.3988","","","","","","1.457","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100208","10.926","0.002","25.284","0.005","29.954","0.006","90","","92.86","0.03","90","","8265","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C141.5 H238 Cl2 O80 -","- C141.61 H147.36 Cl2 O79.86 -","- C283.22 H294.72 Cl4 O159.72 -","2","1","NS5002","Tsorteki, Frantzeska; Bethanis, Kostas; Pinotsis, Nikos; Giastas, Petros; Mentzafos, Dimitris","Inclusion compounds of plant growth regulators in cyclodextrins. V. 4-Chlorophenoxyacetic acid encapsulated in β-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin","Acta Crystallographica Section B","2005","61","2","207","217","10.1107/S0108768105004106","","","0.8015","synchrotron","","0.0799","0.0783","","","0.2278","0.2313","","","","","","1.148","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2100209","4.27125","0.00002","4.27125","0.00002","63.8957","0.0006","90","","90","","120","","1009.51","0.01","90","","90","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","?","- Sb24 Te9 -","- Sb24 Te9 -","","","","Kifune, Kouichi; Kubota, Yoshiki; Matsunaga, Toshiyuki; Yamada, Noboru","Extremely long period stacking structure in the Sb-Te binary system","Acta Crystallographica, Section B: Structural Science","2005","61","5","492","497","10.1107/S0108768105017714","","","","","","","","","","","","","","","","","","","","","has coordinates","199467","2020-10-21","18:00:00",""
"2100210","4.28168","0.00002","4.28168","0.00002","108.7017","0.0008","90","","90","","120","","1725.82","0.02","90","","90","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","?","- Sb48 Te9 -","- Sb48 Te9 -","","","","Kifune, Kouichi; Kubota, Yoshiki; Matsunaga, Toshiyuki; Yamada, Noboru","Extremely long period stacking structure in the Sb-Te binary system","Acta Crystallographica, Section B: Structural Science","2005","61","5","492","497","10.1107/S0108768105017714","","","","","","","","","","","","","","","","","","","","","has coordinates","199467","2020-10-21","18:00:00",""
"2100211","10.6914","0.0003","3.7963","0.0001","3.3457","0.0001","90","","92.625","0.002","90","","135.652","0.007","298","","","","","","","","","","","4","?P?","","","","","","- Ba0.0504 Bi0.2661 O1.8165 Ti0.6835 -","","","4","","SN5011","Michiue, Yuichi; Yamamoto, Akiji; Onoda, Mitsuko; Sato, Akira; Akashi, Takaya; Yamane, Hisanori","Incommensurate crystallographic shear structure of Ba~<i>x~</i>Bi~2{-~2<i>x</i>}Ti~4{-~<i>x</i>}O~11{-~4<i>x</i>} (<i>x</i> = 0.275)","Acta Crystallographica Section B","2005","61","2","145","153","10.1107/S0108768105001655","","","0.7476","NbKα","","","0.0418","","","0.0421","","","","","","","1.85","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100212","8.9879","0.0001","9.4028","0.0001","26.4369","0.0004","90","","90","","90","","2234.22","0.05","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C96 H152 O20 -","4","1","SN5016","Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga","Hydrogen-bonded aggregations of oxo-cholic acids","Acta Crystallographica Section B","2005","61","3","346","356","10.1107/S0108768105011304","","","0.7107","MoKα","","0.0569","0.039","","","0.0963","0.1096","","","","","","1.04","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100213","6.3122","0.0001","10.8884","0.0002","32.0624","0.0007","90","","90","","90","","2203.64","0.07","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C96 H152 O20 -","4","1","SN5016","Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga","Hydrogen-bonded aggregations of oxo-cholic acids","Acta Crystallographica Section B","2005","61","3","346","356","10.1107/S0108768105011304","","","0.7107","MoKα","","0.0596","0.0442","","","0.1108","0.1202","","","","","","1.043","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100214","10.2677","0.0004","7.1108","0.0002","15.227","0.0006","90","","92.34","0.001","90","","1110.82","0.07","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O5 -","- C24 H36 O5 -","- C48 H72 O10 -","2","1","SN5016","Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga","Hydrogen-bonded aggregations of oxo-cholic acids","Acta Crystallographica Section B","2005","61","3","346","356","10.1107/S0108768105011304","","","0.71073","MoKα","","0.0535","0.0405","","","0.0983","0.1065","","","","","","1.048","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100215","8.4953","0.0001","12.706","0.0002","20.8011","0.0003","90","","90","","90","","2245.3","0.05","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O5 -","- C24 H36 O5 -","- C96 H144 O20 -","4","1","SN5016","Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga","Hydrogen-bonded aggregations of oxo-cholic acids","Acta Crystallographica Section B","2005","61","3","346","356","10.1107/S0108768105011304","","","0.71073","MoKα","","0.0579","0.0495","","","0.1372","0.1462","","","","","","1.056","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100216","26.6049","0.0004","7.7044","0.0001","22.9126","0.0003","90","","93.424","0.001","90","","4688.12","0.11","295","","295","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H37 O5.5 -","- C24 H35.5 O5.5 -","- C192 H284 O44 -","8","2","SN5016","Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga","Hydrogen-bonded aggregations of oxo-cholic acids","Acta Crystallographica Section B","2005","61","3","346","356","10.1107/S0108768105011304","","","0.7107","MoKα","","0.0739","0.0548","","","0.1497","0.1663","","","","","","1.014","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100217","12.0863","0.0003","6.8301","0.0002","13.1153","0.0004","90","","101.138","0.001","90","","1062.28","0.05","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H34 O5 -","- C24 H34 O5 -","- C48 H68 O10 -","2","1","SN5016","Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga","Hydrogen-bonded aggregations of oxo-cholic acids","Acta Crystallographica Section B","2005","61","3","346","356","10.1107/S0108768105011304","","","0.7107","MoKα","","0.0553","0.0375","","","0.0905","0.1006","","","","","","1.049","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100218","8.4867","0.0014","15.951","0.003","7.604","0.003","90","","90.48","0.02","90","","1029.3","0.5","260","1","293","","","","","","","","","6","?P?","","","","","","- C4 H9 Cd N7 Ni O0 -","- C4 H6 Cd2 N8 Ni -","- C16 H24 Cd8 N32 Ni4 -","4","","SN5017","Petříček, Václav; Dušek, Michal; Černák, Juraj","Modulated one-dimensional structure of [Cd(NH~3~)~3~Ni(CN)~4~]","Acta Crystallographica Section B","2005","61","3","280","286","10.1107/S0108768105012632","","","0.71069","MoKα","","0.0371","0.0371","","","0.0425","0.0425","","","","","","1.78","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100219","7.031","0.0001","11.4089","0.0001","4.6788","0.0001","93.158","0.001","106.749","0.001","83.473","0.001","356.964","0.01","293","","293","","","","","","","","","5","P -1","-P 1","2","","1-(tetrazol-5-yl)-2-nitroguanidine potassium","","- C2 H3 K N8 O2 -","- C2 H3 K N8 O2 -","- C4 H6 K2 N16 O4 -","2","1","SN5019","Leonid A. Solovyov; Alexander M. Astachov; Maxim S. Molokeev; Alexander D. Vasiliev","Powder diffraction crystal structure analysis using derivative difference minimization: example of the potassium salt of 1-(tetrazol-5-yl)-2-nitroguanidine","Acta Crystallographica Section B","2005","61","4","435","442","10.1107/S0108768105015004","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100220","10.4054","0.0016","6.1157","0.0012","19.7751","0.0018","90","","136.625","0.01","90","","864.2","0.3","293","","293","","","","","","","","","4","?P?","","","","Double potassium ytterbium molybdenum oxide","","- K5 Mo4 O16 Yb -","","","2","","SN5021","Alla Arakcheeva; Gervais Chapuis; Vaclav Petricek; Vladimir Morozov","The role of second coordination-sphere interactions in incommensurately modulated structures, using β-K~5~Yb(MoO~4~)~4~ as an example","Acta Crystallographica Section B","2005","61","4","400","406","10.1107/S010876810501726X","","","0.71069","MoKα","","0.1297","0.0765","","","0.0826","0.0852","","","","","","2.89","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100221","5.1233","0.0008","10.314","0.0016","17.998","0.003","106.61","0.002","97.81","0.002","90.13","0.002","902.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","alpha-NTO","","","- C2 H2 N4 O3 -","- C2 H2 N4 O3 -","- C16 H16 N32 O24 -","8","4","","Bolotina, Nadezhda B.; Kirschbaum, Kristin; Pinkerton, A.Alan","","Acta Crystallographica, Section B","2005","61","","577","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100222","15.3519","0.0004","10.4044","0.0003","11.8506","0.0004","90","","109.607","0.002","90","","1783.11","0.09","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,7-dihydro-1,2,3,9,10,11-hexamethoxydibenzo[c,e]oxepine","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","0.5","SX5028","Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.","Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography","Acta Crystallographica Section B","2005","61","3","335","345","10.1107/S0108768105006713","","","0.71073","MoKα","","0.0637","0.0437","","","0.1142","0.125","","","","","","1.085","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100223","36.0403","0.0012","7.8165","0.0002","17.0066","0.0005","90","0.002","111.792","","90","0.002","4448.5","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6,7-dihydro-1,2,3,9,10,11-hexamethoxy-6-methyl-5H-dibenzo[c,e]azepinium chloride","","- C21 H29 Cl N O6.5 -","- C21 H29 Cl N O6.5 -","- C168 H232 Cl8 N8 O52 -","8","1","SX5028","Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.","Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography","Acta Crystallographica Section B","2005","61","3","335","345","10.1107/S0108768105006713","","","0.71073","MoKα","","0.0873","0.0473","","","0.0973","0.1123","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100224","8.6029","0.0002","12.2965","0.0003","17.6032","0.0004","90","","104.038","","90","","1806.55","0.07","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,7-dihydro-1,2,3,9,10,11-hexamethoxydibenzo[c,e]thiepine","","- C20 H24 O6 S -","- C20 H24 O6 S -","- C80 H96 O24 S4 -","4","0.5","SX5028","Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.","Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography","Acta Crystallographica Section B","2005","61","3","335","345","10.1107/S0108768105006713","","","0.71073","MoKα","","0.0464","0.0365","","","0.0943","0.0992","","","","","","1.043","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100225","8.8113","0.0003","12.2699","0.0003","17.564","0.0006","90","","103.988","0.002","90","","1842.6","0.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,7-dihydro-1,2,3,9,10,11-hexamethoxydibenzo[c,e]thiepine 6-oxide","","- C20 H24 O7 S -","- C20 H24 O7 S -","- C80 H96 O28 S4 -","4","0.5","SX5028","Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.","Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography","Acta Crystallographica Section B","2005","61","3","335","345","10.1107/S0108768105006713","","","0.71073","MoKα","","0.0594","0.0482","","","0.1282","0.135","","","","","","1.12","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100226","8.7886","0.0002","15.3454","0.0003","15.4972","0.0004","90","","106.277","","90","","2006.25","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,7-dihydro-1,2,3,9,10,11-hexamethoxydibenzo[c,e]thiepine 6,6-dioxide","","- C20 H24 O8 S -","- C20 H24 O8 S -","- C80 H96 O32 S4 -","4","1","SX5028","Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.","Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography","Acta Crystallographica Section B","2005","61","3","335","345","10.1107/S0108768105006713","","","0.71073","MoKα","","0.0657","0.0411","","","0.0923","0.104","","","","","","1.022","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100227","3.183","","3.183","","7.7258","","90","","90","","120","","67.787","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","lithium peroxide","","","- Li2 O2 -","- Li2 O2 -","- Li4 O4 -","2","0.0833333","TA5012","Luis Guillermo Cota; Pablo de la Mora","On the structure of lithium peroxide, Li~2~O~2~","Acta Crystallographica Section B","2005","61","2","133","136","10.1107/S0108768105003629","","","","","","","","","","","","","","","","","","","","","has coordinates","199466","2020-10-21","18:00:00",""
"2100228","8.901","0.003","7.666","0.002","6.984","0.002","90","","90.091","0.006","90","","476.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Quinol:pyrazine","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C20 H20 N4 O4 -","2","0.5","WS5013","Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon","Formation of quinol co-crystals with hydrogen-bond acceptors","Acta Crystallographica Section B","2005","61","1","46","57","10.1107/S0108768104028605","","","0.71073","MoKα","","0.0623","0.0471","","","0.1078","0.115","","","","","","1.067","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100229","5.706","0.0015","6.7599","0.0019","7.0771","0.0018","100.269","0.004","112.446","0.003","90.163","0.003","247.5","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","quinol:piperazine","","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","1","0.5","WS5013","Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon","Formation of quinol co-crystals with hydrogen-bond acceptors","Acta Crystallographica Section B","2005","61","1","46","57","10.1107/S0108768104028605","","","0.71073","MoKα","","0.0537","0.0512","","","0.1169","0.118","","","","","","1.091","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100230","6.6652","0.0013","5.5881","0.0011","20.034","0.004","90","","94.942","0.004","90","","743.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","quinol:2Morpholine","","","- C14 H28 N2 O4 -","- C14 H24 N2 O4 -","- C28 H48 N4 O8 -","2","0.5","WS5013","Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon","Formation of quinol co-crystals with hydrogen-bond acceptors","Acta Crystallographica Section B","2005","61","1","46","57","10.1107/S0108768104028605","","","0.71073","MoKα","","0.0988","0.0845","","","0.2022","0.2105","","","","","","1.175","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100231","6.499","0.0009","16.459","0.002","7.1794","0.001","90","","112.986","0.003","90","","706.98","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hemi-quinol pyridine adduct","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","0.5","WS5013","Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon","Formation of quinol co-crystals with hydrogen-bond acceptors","Acta Crystallographica Section B","2005","61","1","46","57","10.1107/S0108768104028605","","","0.71073","MoKα","","0.1041","0.0834","","","0.1646","0.1716","","","","","","1.33","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100232","10.423","0.0015","5.2619","0.0007","15.221","0.002","90","","109.92","0.003","90","","784.85","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Quinol:2Piperidine","","","- C16 H28 N2 O2 -","- C16 H28 N2 O2 -","- C32 H56 N4 O4 -","2","0.5","WS5013","Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon","Formation of quinol co-crystals with hydrogen-bond acceptors","Acta Crystallographica Section B","2005","61","1","46","57","10.1107/S0108768104028605","","","0.71073","MoKα","","0.0836","0.0561","","","0.1241","0.1358","","","","","","1.042","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100233","7.82","0.004","8.619","0.004","9.201","0.004","111.897","0.007","109.851","0.007","94.657","0.008","525.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","quinol:2(4,4'-bipyridine)","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","1","0.5","WS5013","Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon","Formation of quinol co-crystals with hydrogen-bond acceptors","Acta Crystallographica Section B","2005","61","1","46","57","10.1107/S0108768104028605","","","0.71073","MoKα","","0.0632","0.0541","","","0.1375","0.1436","","","","","","1.044","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100234","6.9612","0.001","7.3146","0.0011","9.659","0.002","106.182","0.003","104.481","0.003","106.201","0.002","423.96","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","quinol:2(N-methylmorpholine)","N-methylmorpholine hemi-quinol","","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","1","0.5","WS5013","Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon","Formation of quinol co-crystals with hydrogen-bond acceptors","Acta Crystallographica Section B","2005","61","1","46","57","10.1107/S0108768104028605","","","0.71073","MoKα","","0.0482","0.0452","","","0.117","0.1199","","","","","","1.07","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100235","8.962","0.0008","9.4944","0.0008","14.7119","0.0013","90.501","0.002","92.919","0.002","99.664","0.002","1232.26","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Quinol:dimethylpiperazine","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C48 H80 N8 O8 -","4","2","WS5013","Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon","Formation of quinol co-crystals with hydrogen-bond acceptors","Acta Crystallographica Section B","2005","61","1","46","57","10.1107/S0108768104028605","","","0.71073","MoKα","","0.1148","0.0743","","","0.1436","0.1615","","","","","","1.03","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100236","23.97","0.02","10.609","0.008","5.457","0.003","90","","90","","90","","1387.7","1.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Oxo-1-phenyl-1,2,3,6-tetrahydro[1,4]diazepino[6,5-b]indole- 4-oxide","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","WS5016","Ryabova, Svetlana Yu.; Rastorgueva, Nina A.; Sonneveld, Eduard J.; Peschar, Rene; Schenk, Henk; Tafeenko, Viktor A.; Aslanov, Leonid A.; Chernyshev, Vladimir V.","Structural characterization of [1,4]diazepino[6,5-<i>b</i>]indoles by powder diffraction","Acta Crystallographica Section B","2005","61","2","192","199","10.1107/S0108768105006075","","","1.54059","CuKα~1~","","","","","","","","","","2.946","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100237","8.5213","0.0013","9.172","0.002","5.5847","0.0008","90","","90","","90","","436.49","0.13","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","WS5017","Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa","Acta Crystallographica Section B","2005","61","1","58","68","10.1107/S0108768104031787","","","0.71073","MoKα","","0.1098","0.0827","","0.2137","0.1949","0.2137","","","","","","1.0678","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100238","8.4365","0.001","8.9506","0.0019","5.5512","0.0006","90","","90","","90","","419.18","0.11","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","WS5017","Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa","Acta Crystallographica Section B","2005","61","1","58","68","10.1107/S0108768104031787","","","0.71073","MoKα","","0.1063","0.0733","","0.1641","0.1494","0.1641","","","","","","1.1438","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100239","8.3702","0.001","8.7699","0.0019","5.5103","0.0006","90","","90","","90","","404.49","0.11","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","WS5017","Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa","Acta Crystallographica Section B","2005","61","1","58","68","10.1107/S0108768104031787","","","0.71073","MoKα","","0.0905","0.0649","","0.1536","0.1395","0.1536","","","","","","1.0679","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100240","8.3266","0.0013","8.665","0.003","5.4851","0.0008","90","","90","","90","","395.75","0.16","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","WS5017","Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa","Acta Crystallographica Section B","2005","61","1","58","68","10.1107/S0108768104031787","","","0.71073","MoKα","","0.0812","0.0664","","0.1648","0.1558","0.1648","","","","","","1.0635","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100241","8.298","0.0016","8.6","0.003","5.4663","0.001","90","","90","","90","","390.09","0.17","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","WS5017","Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa","Acta Crystallographica Section B","2005","61","1","58","68","10.1107/S0108768104031787","","","0.71073","MoKα","","0.0791","0.0603","","0.1219","0.1128","0.1219","","","","","","1.1552","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100242","6.9083","0.001","9.644","0.003","5.6166","0.0008","90","","90","","90","","374.2","0.14","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","WS5017","Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa","Acta Crystallographica Section B","2005","61","1","58","68","10.1107/S0108768104031787","","","0.71073","MoKα","","0.0672","0.0482","","0.1022","0.0952","0.1022","","","","","","1.2108","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100243","4.8022","0.0005","5.6318","0.0006","5.0803","0.0006","90","","92.762","0.009","90","","137.24","0.03","304","1","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Mn O4 Re -","- Mn O4 Re -","- Mn2 O8 Re2 -","2","0.5","WS5018","Bramnik, Kirill G.; Ehrenberg, Helmut; Buhre, Stephan; Fuess, Hartmut","Preparation, crystal structure and magnetic properties of the high-pressure phase MnReO~4~ with a wolframite-type structure","Acta Crystallographica Section B","2005","61","3","246","249","10.1107/S0108768105005380","","","0.71073","MoKα","","0.0293","0.0276","","","0.0649","0.0659","","","","","","1.174","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100244","10.1798","0.0012","9.1869","0.0007","5.1978","0.0006","90","","105.614","0.012","90","","468.16","0.09","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0252","","","","0.0564","","","","","","1.058","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100245","10.1822","0.0012","9.1912","0.0007","5.1995","0.0006","90","","105.636","0.012","90","","468.6","0.09","150","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0267","","","","0.0605","","","","","","1.083","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100246","10.1853","0.0012","9.1959","0.0007","5.2013","0.0006","90","","105.649","0.012","90","","469.11","0.09","200","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0251","","","","0.0523","","","","","","1.074","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100247","10.1893","0.0012","9.1996","0.0007","5.2043","0.0006","90","","105.669","0.012","90","","469.71","0.09","250","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.025","","","","0.0554","","","","","","1.032","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100248","10.193","0.0012","9.2039","0.0007","5.2078","0.0006","90","","105.688","0.012","90","","470.37","0.09","298","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0301","","","","0.0625","","","","","","1.1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100249","10.1944","0.0012","9.2078","0.0007","5.2103","0.0006","90","","105.699","0.012","90","","470.84","0.09","328","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0352","","","","0.0637","","","","","","1.163","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100250","10.1957","0.0012","9.2123","0.0007","5.2142","0.0006","90","","105.702","0.012","90","","471.47","0.09","361","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0381","","","","0.0727","","","","","","1.106","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100251","10.2047","0.0012","9.2255","0.0007","5.2249","0.0006","90","","105.785","0.012","90","","473.34","0.09","470","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0403","","","","0.0784","","","","","","1.138","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100252","10.213","0.0012","9.2385","0.0007","5.2359","0.0006","90","","105.87","0.012","90","","475.19","0.09","570","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0428","","","","0.0846","","","","","","1.106","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100253","10.215","0.0012","9.2455","0.0007","5.2407","0.0006","90","","105.928","0.012","90","","475.94","0.09","612","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0467","","","","0.0844","","","","","","1.112","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100254","10.2165","0.0012","9.2483","0.0007","5.2429","0.0006","90","","105.942","0.012","90","","476.32","0.09","629","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0466","","","","0.0854","","","","","","1.164","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100255","10.217","0.0012","9.2515","0.0007","5.2446","0.0006","90","","105.964","0.012","90","","476.62","0.09","646","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0447","","","","0.0856","","","","","","1.099","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100256","10.218","0.0012","9.2536","0.0007","5.2468","0.0006","90","","105.975","0.012","90","","476.94","0.09","654","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","1","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0479","","","","0.095","","","","","","0.941","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100257","10.2453","0.0012","9.2118","0.0009","5.4115","0.0007","90","","106.931","0.014","90","","488.59","0.1","717","2","873","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","0.5","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0344","","","","0.0851","","","","","","1.053","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100258","10.2405","0.0012","9.178","0.0008","5.4003","0.0007","90","","107.072","0.011","90","","485.19","0.1","729","2","873","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","0.5","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.026","","","","0.052","","","","","","0.937","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100259","10.243","0.0012","9.1821","0.0008","5.4015","0.0008","90","","107.074","0.01","90","","485.63","0.1","763","2","873","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","0.5","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0317","","","","0.0711","","","","","","1.065","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100260","10.2448","0.0012","9.1898","0.0009","5.4023","0.0007","90","","107.09","0.014","90","","486.16","0.1","796","2","873","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ca Cu Ge2 O6 -","- Ca Cu Ge2 O6 -","- Ca4 Cu4 Ge8 O24 -","4","0.5","WS5021","Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.","Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K","Acta Crystallographica Section B","2005","61","4","367","380","10.1107/S0108768105013455","","","0.71073","MoKα","","","0.0306","","","","0.0587","","","","","","1.067","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100261","8.5153","0.0007","16.0591","0.0013","12.1476","0.001","90","","96.801","0.002","90","","1649.5","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino)oxyacetic acid","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","WS5022","Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher","Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid","Acta Crystallographica Section B","2005","61","3","321","328","10.1107/S0108768105007421","","","0.71073","MoKα","","0.2369","0.0561","","","0.1166","0.1715","","","","","","0.856","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100262","6.4499","0.0002","14.9693","0.0005","16.6559","0.0006","90","","92.947","0.002","90","","1606.01","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino)oxyacetic acid","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","WS5022","Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher","Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid","Acta Crystallographica Section B","2005","61","3","321","328","10.1107/S0108768105007421","","","0.71073","MoKα","","0.0968","0.0578","","","0.1835","0.2318","","","","","","1.136","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100263","6.4238","0.0003","15.1513","0.0009","17.0552","0.0009","90","","93.167","0.002","90","","1657.43","0.15","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino)oxyacetic acid","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","WS5022","Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher","Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid","Acta Crystallographica Section B","2005","61","3","321","328","10.1107/S0108768105007421","","","0.71073","MoKα","","0.0931","0.049","","","0.136","0.1513","","","","","","0.984","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100264","12.1552","0.0004","15.8657","0.0004","16.6708","0.0005","90","","97.425","0.0015","90","","3188.02","0.16","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino)oxyacetic acid","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","2","WS5022","Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher","Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid","Acta Crystallographica Section B","2005","61","3","321","328","10.1107/S0108768105007421","","","0.71073","MoKα","","0.0923","0.048","","","0.112","0.1329","","","","","","1.031","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100265","5.81174","0.00005","5.86444","0.00005","8.24541","0.00007","90","","90.166","0.001","90","","281.024","0.004","","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Nb O6 Sr2 Y -","- Nb O6 Sr2 Y -","- Nb2 O12 Sr4 Y2 -","2","0.5","WS5023","Howard, Christopher J.; Barnes, Paris W.; Kennedy, Brendan J.; Woodward, Patrick M.","Structures of the ordered double perovskites Sr~2~YTaO~6~ and Sr~2~YNbO~6~","Acta Crystallographica Section B","2005","61","3","258","262","10.1107/S0108768105012395","","neutron","","neutron","","","","","","","","","","1.84","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100266","5.81216","0.00005","5.85937","0.00006","8.24479","0.00008","90","","90.1479","0.0007","90","","280.78","0.005","","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- O6 Sr2 Ta Y -","- O6 Sr2 Ta Y -","- O12 Sr4 Ta2 Y2 -","2","0.5","WS5023","Howard, Christopher J.; Barnes, Paris W.; Kennedy, Brendan J.; Woodward, Patrick M.","Structures of the ordered double perovskites Sr~2~YTaO~6~ and Sr~2~YNbO~6~","Acta Crystallographica Section B","2005","61","3","258","262","10.1107/S0108768105012395","","neutron","1.886","neutron","","","","","","","","","","1.03","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100267","9.3789","0.0016","13.658","0.002","13.661","0.002","90","","90","","90","","1749.9","0.5","220","2","220","2","","","","","","","","3","A b a 2","A 2 -2ab","41","Cyclobutanol","","","- C4 H8 O -","- C4 H8 O -","- C64 H128 O16 -","16","","WS5024","Dave Allan, D","The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)","Acta Crystallographica Section B","2005","61","4","449","454","10.1107/S0108768105019191","","","0.71073","MoKα","","0.0454","0.0418","","","0.1023","0.1043","","","","","","1.074","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100268","9.3312","0.0015","13.642","0.002","13.619","0.002","90","","90","","90","","1733.6","0.5","100","2","100","2","","","","","","","","3","A b a 2","A 2 -2ab","41","Cyclobutanol","","","- C4 H8 O -","- C4 H8 O -","- C64 H128 O16 -","16","","WS5024","Dave Allan, D","The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)","Acta Crystallographica Section B","2005","61","4","449","454","10.1107/S0108768105019191","","","0.71073","MoKα","","0.0519","0.0468","","","0.1049","0.1063","","","","","","0.996","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100269","4.9208","0.0004","8.2302","0.001","9.598","0.0016","90","","90","","90","","388.71","0.09","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Cyclobutanol","","","- C4 H8 O -","- C4 H8 O -","- C16 H32 O4 -","4","1","WS5024","Dave Allan, D","The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)","Acta Crystallographica Section B","2005","61","4","449","454","10.1107/S0108768105019191","","","0.71073","MoKα","","0.0819","0.0708","","","0.1553","0.1615","","","","","","1.145","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100270","6.097","0.0005","12.7152","0.001","8.8587","0.0007","90","","94.051","0.0014","90","","685.05","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","1","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0345","0.0319","","","0.0827","0.085","","","","","","1.112","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100271","6.113","0.0008","12.7149","0.0016","8.8564","0.0011","90","","93.437","0.002","90","","687.14","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","1","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0518","0.0505","","","0.1307","0.1315","","","","","","1.264","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100272","6.127","0.0005","12.7253","0.0011","8.8633","0.0008","90","","93.068","0.0016","90","","690.06","0.1","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","1","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0417","0.0397","","","0.1028","0.1045","","","","","","1.161","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100273","6.1377","0.0005","12.7306","0.0011","8.8641","0.0008","90","","92.528","0.0015","90","","691.94","0.1","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","1","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0418","0.0374","","","0.1004","0.1047","","","","","","1.063","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100274","6.1313","0.0012","12.703","0.002","8.8456","0.0017","90","","92.187","0.004","90","","688.4","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","1","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0881","0.0869","","","0.1967","0.1974","","","","","","1.307","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100275","6.1538","0.0015","12.747","0.003","8.877","0.002","90","","91.627","0.004","90","","696.1","0.3","210","2","210","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","1","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0707","0.0664","","","0.1498","0.1523","","","","","","1.276","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100276","6.158","0.0009","12.7515","0.0018","8.8763","0.0013","90","","91.263","0.003","90","","696.83","0.17","215","2","215","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","1","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0716","0.069","","","0.1919","0.1944","","","","","","1.193","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100277","6.1567","0.0016","12.733","0.003","8.865","0.002","90","","91.18","0.005","90","","694.8","0.3","216","2","216","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","1","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0718","0.0684","","","0.1781","0.1806","","","","","","1.3","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100278","6.177","0.0018","12.785","0.004","8.898","0.003","90","","90","","90","","702.7","0.4","217","2","217","2","","","","","","","","4","P m n b","-P 2bc 2a","62","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","0.5","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0677","0.0611","","","0.1504","0.1537","","","","","","1.251","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100279","6.1626","0.0019","12.757","0.004","8.876","0.003","90","","90","","90","","697.8","0.4","218","2","218","2","","","","","","","","4","P m n b","-P 2bc 2a","62","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","0.5","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0586","0.0539","","","0.1337","0.1368","","","","","","1.17","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100280","6.1624","0.0015","12.757","0.003","8.878","0.002","90","","90","","90","","697.9","0.3","219","2","219","2","","","","","","","","4","P m n b","-P 2bc 2a","62","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","0.5","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0693","0.0664","","","0.1566","0.1579","","","","","","1.321","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100281","6.1665","0.0012","12.763","0.002","8.8814","0.0017","90","","90","","90","","699","0.2","220","2","220","2","","","","","","","","4","P m n b","-P 2bc 2a","62","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","0.5","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0495","0.0453","","","0.1198","0.1237","","","","","","1.093","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100282","6.1739","0.0004","12.7594","0.0009","8.8831","0.0006","90","","90","","90","","699.77","0.08","230","2","230","2","","","","","","","","4","P m n b","-P 2bc 2a","62","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","0.5","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0455","0.0429","","","0.1095","0.1116","","","","","","1.143","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100283","6.2144","0.0007","12.7512","0.0014","8.8841","0.001","90","","90","","90","","703.99","0.14","270","2","270","2","","","","","","","","4","P m n b","-P 2bc 2a","62","","","","- C4 H8 N2 O5 -","- C4 H8 N2 O5 -","- C16 H32 N8 O20 -","4","0.5","WS5026","Nichol, Gary S.; Clegg, William","A variable-temperature study of a phase transition in barbituric acid dihydrate","Acta Crystallographica Section B","2005","61","4","464","472","10.1107/S0108768105017258","","","0.71073","MoKα","","0.0463","0.041","","","0.11","0.1164","","","","","","1.109","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100284","9.1487","0.0003","24.2873","0.0008","5.1794","0.0001","93.118","0.003","101.154","0.002","83.479","0.002","1121.18","0.06","290","","290","","","","","","","","","5","P -1","-P 1","2","glipizide/glucotrol","1-Cyclohexyl-3-{{p=[2-[5-methylpyrazine-carboxamido)-ethyl]phenyl}sulphonyl}urea","","- C21 H27 N5 O4 S -","- C21 H27 N5 O4 S -","- C42 H54 N10 O8 S2 -","2","1","AV5037","Burley, Jonathan C.","Structure and intermolecular interactions of glipizide from laboratory X-ray powder diffraction","Acta Crystallographica Section B","2005","61","6","710","716","10.1107/S0108768105025991","","","1.7902","CoKα","","","","","","","","","","1.424","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100287","7.69","0.0002","9.6995","0.0002","20.1404","0.0005","80.522","0.001","86.792","0.001","72.33","0.0016","1411.81","0.06","295","","295","","","","","","","","","4","P -1","-P 1","2","","N-benzo[1,3]-dioxol-5-yl-2-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,9- tetrahydro-1H-purin-8-yl)-1-methyl-1-H-pyrazol-3-iloxy] -acetamide formylhydrazine hydrate","","- C25 H33 N9 O8 -","- C25 H33 N9 O8 -","- C50 H66 N18 O16 -","2","1","BK5016","Ferretti, Valeria; Pretto, Loretta; Tabrizi, Mojgan Aghazadeh; Bertolasi, Valerio","A structural study of new potent and selective antagonists to the A~2B~ adenosine receptor","Acta Crystallographica Section B","2005","61","5","569","576","10.1107/S0108768105021312","","","0.7107","MoKα","","0.0811","0.0515","","","0.128","0.1506","","","","","","1.036","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100292","14.772","0.003","13.987","0.003","43.344","0.009","90","","97.33","0.03","90","","8882","3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diaqua(15-crown-5)copper(II) nitrate","","- C10 H24 Cu N2 O13 -","- C10 H24 Cu N2 O13 -","- C200 H480 Cu20 N40 O260 -","20","5","BM5026","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures","Acta Crystallographica Section B","2005","61","6","675","688","10.1107/S0108768105026662","","","0.71073","MoKα","","0.248","0.055","","","0.134","0.2084","","","","","","0.861","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100293","14.659","0.003","14.029","0.003","42.475","0.009","90","","96.85","0.03","90","","8673","3","88","2","88","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diaqua(15-crown-5)copper(II) nitrate","","- C10 H24 Cu N2 O13 -","- C10 H24 Cu N2 O13 -","- C200 H480 Cu20 N40 O260 -","20","5","BM5026","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures","Acta Crystallographica Section B","2005","61","6","675","688","10.1107/S0108768105026662","","","0.71073","MoKα","","0.1329","0.0433","","","0.0877","0.1159","","","","","","0.986","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100294","14.721","0.003","14.077","0.003","26.111","0.005","90","","96.83","0.03","90","","5372.5","1.9","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaqua(15-crown-5)zinc(II) nitrate","","- C10 H24 N2 O13 Zn -","- C10 H24 N2 O13 Zn -","- C120 H288 N24 O156 Zn12 -","12","3","BM5026","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures","Acta Crystallographica Section B","2005","61","6","675","688","10.1107/S0108768105026662","","","0.71073","MoKα","","0.12","0.04","","","0.0827","0.107","","","","","","0.909","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100295","14.633","0.003","14.034","0.003","25.561","0.005","90","","96.48","0.03","90","","5215.7","1.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaqua(15-crown-5)zinc(II) nitrate","","- C10 H24 N2 O13 Zn -","- C10 H24 N2 O13 Zn -","- C120 H288 N24 O156 Zn12 -","12","3","BM5026","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures","Acta Crystallographica Section B","2005","61","6","675","688","10.1107/S0108768105026662","","","0.71073","MoKα","","0.0827","0.0333","","","0.0696","0.0847","","","","","","0.931","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100296","14.601","0.003","14.182","0.003","26.241","0.005","90","","96.77","0.03","90","","5395.9","1.9","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaqua(15-crown-5)magnesium(II) nitrate","","- C10 H24 Mg N2 O13 -","- C10 H24 Mg N2 O13 -","- C120 H288 Mg12 N24 O156 -","12","3","BM5026","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures","Acta Crystallographica Section B","2005","61","6","675","688","10.1107/S0108768105026662","","","0.71073","MoKα","","0.1936","0.0482","","","0.0934","0.1365","","","","","","0.865","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100297","14.497","0.003","14.181","0.003","25.7","0.005","90","","96.46","0.03","90","","5249.9","1.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaqua(15-crown-5)magnesium(II) nitrate","","- C10 H24 Mg N2 O13 -","- C10 H24 Mg N2 O13 -","- C120 H288 Mg12 N24 O156 -","12","3","BM5026","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures","Acta Crystallographica Section B","2005","61","6","675","688","10.1107/S0108768105026662","","","0.71073","MoKα","","0.1341","0.0454","","","0.0826","0.1057","","","","","","0.935","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100298","11.425","0.002","11.425","0.002","27.248","0.005","90","","90","","90","","3556.7","1.1","294","2","294","2","","","","","","","","5","P 41","P 4w","76","","diaqua(15-crown-5)cobalt(II) nitrate","","- C10 H24 Co N2 O13 -","- C10 H24 Co N2 O13 -","- C80 H192 Co8 N16 O104 -","8","2","BM5026","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures","Acta Crystallographica Section B","2005","61","6","675","688","10.1107/S0108768105026662","","","0.71073","MoKα","","0.103","0.0459","","","0.0812","0.0959","","","","","","0.942","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100299","11.306","0.002","11.306","0.002","27.041","0.005","90","","90","","90","","3456.5","1.1","90","2","90","2","","","","","","","","5","P 41","P 4w","76","","diaqua(15-crown-5)cobalt(II) nitrate","","- C10 H24 Co N2 O13 -","- C10 H24 Co N2 O13 -","- C80 H192 Co8 N16 O104 -","8","2","BM5026","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures","Acta Crystallographica Section B","2005","61","6","675","688","10.1107/S0108768105026662","","","0.71073","MoKα","","0.0961","0.0479","","","0.0651","0.0752","","","","","","0.975","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100300","8.7743","0.0003","9.4828","0.0003","9.167","0.0003","90","","113.609","0.002","90","","698.9","0.04","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 Cd3 O12 P2 -","- C6 Cd3 O12 P2 -","- C12 Cd6 O24 P4 -","2","1","BS5017","Bestaoui, Naima; Ouyang, Xiang; Fredoueil, Florence; Bujoli, Bruno; Clearfield, Abraham","Structural characterization of Cd~3~(O~3~PC~2~H~4~CO~2~)~2~·2H~2~O from in-house X-ray powder data and NMR","Acta Crystallographica Section B","2005","61","6","669","674","10.1107/S0108768105028387","","","1.5405","Kα~1~","","","","","","","","","","1.89","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100301","9.7116","0.0013","11.1347","0.0017","6.4421","0.0013","90","","108.595","0.01","90","","660.26","0.19","15","2","15","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dinicotinic acid","Pyridine-3,5-dicarboxylic acid","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","BS5020","Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.","Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid","Acta Crystallographica Section B","2005","61","6","724","730","10.1107/S0108768105030077","","neutron","0.8404","neutron","","0.0814","0.0601","","","0.093","0.0992","","","","","","1.282","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100302","9.6986","0.0007","11.1571","0.0008","6.5891","0.0006","90","","107.804","0.005","90","","678.85","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dinicotinic acid","Pyridine-3,5-dicarboxylic acid","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","BS5020","Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.","Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid","Acta Crystallographica Section B","2005","61","6","724","730","10.1107/S0108768105030077","","neutron","0.8404","neutron","","0.1146","0.0599","","","0.0882","0.108","","","","","","1.088","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100303","9.7196","0.0013","11.1396","0.0017","6.454","0.0013","90","","108.754","0.01","90","","661.69","0.19","15","2","15","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dinicotinic Acid","Pyridine-3,5-dicarboxylic acid","","- C7 H3 D2 N O4 -","- C7 H D2.16 N O4 -","- C28 H4 D8.64 N4 O16 -","4","1","BS5020","Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.","Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid","Acta Crystallographica Section B","2005","61","6","724","730","10.1107/S0108768105030077","","neutron","0.8406","neutron","","0.0664","0.0583","","","0.1511","0.1596","","","","","","2.083","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100304","9.7217","0.0007","11.1545","0.0008","6.5112","0.0006","90","","108.397","0.005","90","","669.99","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dinicotinic Acid","Pyridine-3,5-dicarboxylic acid","","- C7 H3 D2 N O4 -","- C7 H D2.16 N O4 -","- C28 H4 D8.64 N4 O16 -","4","1","BS5020","Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.","Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid","Acta Crystallographica Section B","2005","61","6","724","730","10.1107/S0108768105030077","","neutron","0.8406","neutron","","0.0657","0.0545","","","0.1267","0.1326","","","","","","1.615","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100305","9.7614","0.0013","11.2243","0.0017","6.643","0.0013","90","","108.304","0.01","90","","691","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dinicotinic Acid","Pyridine-3,5-dicarboxylic acid","","- C7 H3 D2 N O4 -","- C7 H D2.16 N O4 -","- C28 H4 D8.64 N4 O16 -","4","1","BS5020","Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.","Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid","Acta Crystallographica Section B","2005","61","6","724","730","10.1107/S0108768105030077","","neutron","0.8406","neutron","","0.0967","0.0738","","","0.1456","0.153","","","","","","1.617","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100306","12.1405","0.0007","12.4273","0.0009","6.3851","0.0004","90","","100.122","0.005","90","","948.35","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-carboxyphenyl ammonium monohydrogenphosphite","","","- C7 H10 N O5 P -","- C7 H10 N O5 P -","- C28 H40 N4 O20 P4 -","4","1","CK5008","Bendeif, El-eulmi; Dahaoui, Slimane; François, Michel; Benali-Cherif, Nourredine; Lecomte, Claude","Isostructural phase transition in <i>m</i>-carboxyphenylammonium monohydrogenphosphite","Acta Crystallographica Section B","2005","61","6","700","709","10.1107/S0108768105026686","","","0.71073","MoKα","","0.0354","0.0352","","","0.0936","0.0938","","","","","","1.079","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100307","13.036","0.003","11.538","0.002","6.6366","0.0013","90","","104.73","0.03","90","","965.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-carboxyphenyl ammonium monohydrogenphosphite","","","- C7 H10 N O5 P -","- C7 H10 N O5 P -","- C28 H40 N4 O20 P4 -","4","1","CK5008","Bendeif, El-eulmi; Dahaoui, Slimane; François, Michel; Benali-Cherif, Nourredine; Lecomte, Claude","Isostructural phase transition in <i>m</i>-carboxyphenylammonium monohydrogenphosphite","Acta Crystallographica Section B","2005","61","6","700","709","10.1107/S0108768105026686","","","0.71073","MoKα","","0.0534","0.0371","","","0.0992","0.1034","","","","","","0.993","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100328","29.6829","0.0003","29.6829","0.0003","8.4018","0.0001","90","","90","","90","","7402.61","0.14","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- Cl H4 Na9 O20 S4 -","- Cl H4 Na9 O20 S4 -","- Cl16 H64 Na144 O320 S64 -","16","2","DE5022","Pritchard, Robin Gavin; Begum, Zubeda; Lau, Yuf Fai; Austin, Jonothan","Structures of Na~9~[SO~4~]~4~<i>X</i>·2H~2~O~2~, where <i>X</i> = Cl or Br, in which the halide anions orchestrate extended orientation sequences of H~2~O~2~ solvate molecules","Acta Crystallographica Section B","2005","61","6","663","668","10.1107/S010876810503212X","","","0.71073","MoKα","","0.1108","0.0605","","","0.1236","0.1466","","","","","","1.236","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100329","14.9126","0.0005","14.9126","0.0005","8.4052","0.0002","90","","90","","90","","1869.2","0.1","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- Br H4 Na9 O20 S4 -","- Br H4 Na9 O20 S4 -","- Br4 H16 Na36 O80 S16 -","4","0.5","DE5022","Pritchard, Robin Gavin; Begum, Zubeda; Lau, Yuf Fai; Austin, Jonothan","Structures of Na~9~[SO~4~]~4~<i>X</i>·2H~2~O~2~, where <i>X</i> = Cl or Br, in which the halide anions orchestrate extended orientation sequences of H~2~O~2~ solvate molecules","Acta Crystallographica Section B","2005","61","6","663","668","10.1107/S010876810503212X","","","0.71073","MoKα","","0.0634","0.0396","","","0.0836","0.0927","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100332","18.0971","0.0016","18.0971","0.0016","2.9916","0.0019","90","","90","","90","","979.8","0.6","298","","298","","","","","","","","","5","I 4/m","-I 4","87","","","","- Al0.21 Ga1.93 K0.152 O7 Ti1.86 -","- Al0.21 Ga1.93 K0.1515 O7 Ti1.86 -","- Al1.68 Ga15.44 K1.212 O56 Ti14.88 -","8","0.5","LC5028","Michiue, Yuichi; Yoshikado, Shinzo","X-ray diffraction study for one-dimensional ionic conductors K~<i>x~</i>(Ga~1{-~<i>y</i>}Al~y~)~2+<i>x~</i>Ti~2{-~<i>x</i>}O~7~ (<i>x</i> ≃0.14, <i>y</i> ≃0.10, 0.23, 0.39)","Acta Crystallographica Section B","2005","61","6","608","615","10.1107/S0108768105031034","","","0.71069","MoKα","","0.0434","0.0308","","","0.0486","0.0506","","","","","","1.1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100333","18.0606","0.0011","18.0606","0.0011","2.9839","0.0013","90","","90","","90","","973.3","0.4","298","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- Al0.49 Ga1.65 K0.155 O7 Ti1.86 -","- Al0.4896 Ga1.6504 K0.155 O7 Ti1.86 -","- Al3.9168 Ga13.2032 K1.24 O56 Ti14.88 -","8","0.5","LC5028","Michiue, Yuichi; Yoshikado, Shinzo","X-ray diffraction study for one-dimensional ionic conductors K~<i>x~</i>(Ga~1{-~<i>y</i>}Al~y~)~2+<i>x~</i>Ti~2{-~<i>x</i>}O~7~ (<i>x</i> ≃0.14, <i>y</i> ≃0.10, 0.23, 0.39)","Acta Crystallographica Section B","2005","61","6","608","615","10.1107/S0108768105031034","","","0.71069","MoKα","","0.0436","0.0324","","","0.0531","0.0548","","","","","","1.17","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100334","18.0088","0.0012","18.0088","0.0012","2.9759","0.0014","90","","90","","90","","965.1","0.5","298","","298","","","","","","","","","5","I 4/m","-I 4","87","","","","- Al0.84 Ga1.3 K0.157 O7 Ti1.86 -","- Al0.836 Ga1.2969 K0.157 O7 Ti1.857 -","- Al6.688 Ga10.3752 K1.256 O56 Ti14.856 -","8","0.5","LC5028","Michiue, Yuichi; Yoshikado, Shinzo","X-ray diffraction study for one-dimensional ionic conductors K~<i>x~</i>(Ga~1{-~<i>y</i>}Al~y~)~2+<i>x~</i>Ti~2{-~<i>x</i>}O~7~ (<i>x</i> ≃0.14, <i>y</i> ≃0.10, 0.23, 0.39)","Acta Crystallographica Section B","2005","61","6","608","615","10.1107/S0108768105031034","","","0.71069","MoKα","","0.0857","0.0434","","","0.0665","0.0715","","","","","","0.99","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100335","13.7761","0.0001","13.7761","0.0001","41.5456","0.0006","90","","90","","120","","6828.23","0.12","183","2","183","2","","","","","","","","2","R -3 :H","-R 3","148","deca-dodecasil","","","- O2 Si -","- O2 Si -","- O240 Si120 -","120","6.66667","","","","Acta Crystallographica, Section B","2005","61","","627","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100339","5.0741","0.001","9.7594","0.001","13.305","0.002","90","","90","","90","","658.87","0.18","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cyclopropylamine","","","- C3 H7 N -","- C3 H7 N -","- C24 H56 N8 -","8","1","WS5029","Lozano-Casal, Patricia; Allan, David R.; Parsons, Simon","Pressure-induced polymorphism in cyclopropylamine","Acta Crystallographica Section B","2005","61","6","717","723","10.1107/S0108768105026327","","","0.71073","MoKα","","0.0479","0.0417","","","0.0896","0.0956","","","","","","1.176","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100340","16.36","0.003","16.219","0.003","10.942","0.002","90","","90.96","0.03","90","","2903","0.9","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","pinacol","2,3-dimethyl-2,3-butanediol","","- C6 H14 O2 -","- C6 H14 O2 -","- C96 H224 O32 -","16","2","WS5034","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","The unusual phases of anhydrous and hydrated pinacol","Acta Crystallographica Section B","2005","61","6","689","699","10.1107/S0108768105031356","","","0.71073","MoKα","","0.0882","0.0483","","","0.1105","0.1275","","","","","","1.072","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100341","16.333","0.003","16.145","0.003","10.916","0.002","90","","90.92","0.03","90","","2878.1","0.9","90","0.2","90","0.2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","pinacol","2,3-dimethyl-2,3-butanediol","","- C6 H14 O2 -","- C6 H14 O2 -","- C96 H224 O32 -","16","2","WS5034","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","The unusual phases of anhydrous and hydrated pinacol","Acta Crystallographica Section B","2005","61","6","689","699","10.1107/S0108768105031356","","","0.71073","MoKα","","0.0582","0.0399","","","0.0976","0.1066","","","","","","1.044","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100342","10.582","0.002","7.3637","0.0015","10.587","0.002","90","","92.13","0.03","90","","824.4","0.3","90","0.2","90","0.2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","pinacol monohydrate","2,3-dimethyl-2,3-butanediol monohydrate","","- C6 H16 O3 -","- C6 H16 O3 -","- C24 H64 O12 -","4","1","WS5034","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","The unusual phases of anhydrous and hydrated pinacol","Acta Crystallographica Section B","2005","61","6","689","699","10.1107/S0108768105031356","","","0.71073","MoKα","","0.0796","0.0528","","","0.1096","0.1226","","","","","","1.047","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100343","6.308","0.002","6.321","0.002","15.759","0.003","90","","90","","90","","628.4","0.3","90","0.2","90","0.2","","","","","","","","3","P n n m","-P 2 2n","58","pinacol hexahydrate","2,3-dimethyl-2,3-butanediol hexahydrate","","- C6 H26 O8 -","- C6 H26 O8 -","- C12 H52 O16 -","2","0.25","WS5034","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","The unusual phases of anhydrous and hydrated pinacol","Acta Crystallographica Section B","2005","61","6","689","699","10.1107/S0108768105031356","","","0.71073","MoKα","","0.0524","0.0363","","","0.0859","0.0941","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2100344","14.696","0.002","14.696","0.002","13.686","0.003","90","","90","","120","","2559.8","0.7","173","2","173","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","pinacol hemihydrate","2,3-dimethyl-2,3-butanediol hemihydrate","","- C6 H15 O2.5 -","- C6 H14 O2.5 -","- C72 H168 O30 -","12","1","WS5034","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","The unusual phases of anhydrous and hydrated pinacol","Acta Crystallographica Section B","2005","61","6","689","699","10.1107/S0108768105031356","","","0.71073","MoKα","","0.0927","0.0715","","","0.1948","0.2144","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105401","7.3056","","31.1632","","9.1659","","90","","90","","90","","2086.76","","","","","","","","","","","","","4","P b n 21","P 2c -2ab","33","","K Nb O B2 O5","","- B2 K Nb O6 -","- B2 K Nb O6 -","- B32 K16 Nb16 O96 -","16","4","","Schmid, S.; Wagner, T.","Structure of K Nb O B2 O5 - a commensurately modulated structure","Acta Crystallographica B (39,1983-)","2005","61","","361","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2106560","10.6914","","3.7963","","3.3457","","90","","92.625","","90","","135.652","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba0.159 Bi0.841 Ti O2.5","","- Ba0.159 Bi0.841 O2.5 Ti -","- Ba0.1592 Bi0.8408 O2.5 Ti -","- Ba0.6368 Bi3.3632 O10 Ti4 -","4","0.5","","Michiue, Y.; Yamamoto, A.; Onoda, M.; Yamane, H.; Akashi, T.; Sato, A.; Goto, T.","Incommensurate crystallographic shear structure of Ba(x) Bi(2-2x) Ti(4-x) O(11-4x) (x = 0.275)","Acta Crystallographica B (39,1983-)","2005","61","","145","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2200000","8.506","0.0007","7.4661","0.0007","10.733","0.001","90","","102.626","0.002","90","","665.13","0.1","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","ricciocarpin A","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","AC6193","Wang, Yanmei; Tan, Geok-Kheng; Koh, Lip-Lin; Harrison, Leslie J.","Ricciocarpin A","Acta Crystallographica Section E","2005","61","11","o3800","o3801","10.1107/S1600536805028011","","","0.71073","MoKα","","0.0654","0.0613","","","0.1441","0.1462","","","","","","1.192","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200001","8.92","0.004","16.282","0.008","18.504","0.009","90","","90","","90","","2687","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-Methyl 4-methyl-2-(1H-pyrrole-2-carboxamido)pentanoate","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C96 H144 N16 O24 -","8","2","AC6205","Xiang-Chao Zeng; Po-Run Liu","(<i>S</i>)-Methyl 4-methyl-2-(1<i>H</i>-pyrrole-2-carboxamido)pentanoate","Acta Crystallographica Section E","2005","61","11","o3726","o3727","10.1107/S1600536805032393","","","0.71073","MoKα","","0.0758","0.0419","","","0.1013","0.1202","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200002","18.564","0.003","10.6834","0.0017","28.51","0.004","90","","90","","90","","5654.3","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-Chloro-3-methylphenoxy)-3-(4-chlorophenyl)-5-methyl- 8,9,10,11-tetrahydro-1-benzothieno[2',3':2,3]pyrido[4,5-d]pyrimidin-4(3H)-one","","- C28 H23 Cl4 N3 O2 S -","- C28 H23 Cl4 N3 O2 S -","- C224 H184 Cl32 N24 O16 S8 -","8","1","AC6207","Liu, Jian-Chao; He, Hong-Wu; Ding, Ming-Wu","2-(4-Chloro-3-methylphenoxy)-3-(4-chlorophenyl)-5-methyl-8,9,10,11-tetrahydro-1-benzothieno[2',3':2,3]pyrido[4,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one dichloromethane solvate","Acta Crystallographica Section E","2005","61","11","o3686","o3687","10.1107/S1600536805032381","","","0.71073","MoKα","","0.1142","0.087","","","0.195","0.2112","","","","","","1.101","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200003","12.613","0.007","6.701","0.004","22.383","0.012","90","","94.086","0.01","90","","1887","1.8","273","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","aqua{6,6'-dimethoxy-2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato- κ^2^N,O}oxovanadium(IV) monohydrate","","- C18 H22 N2 O7 V -","- C18 H22 N2 O7 V -","- C72 H88 N8 O28 V4 -","4","1","AC6209","Buqin Jing; Lianzhi Li; Daqi Wang; Tao Xu; Xinglin Guo","Aqua[<i>N</i>,<i>N</i>'-ethylenebis(<i>o</i>-vanillylideniminato-κ^2^<i>N</i>,<i>O</i>)]oxovanadium(IV) monohydrate","Acta Crystallographica Section E","2005","61","11","m2244","m2246","10.1107/S1600536805031843","","","0.71073","MoKα","","0.0965","0.0485","","","0.1021","0.1259","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200004","5.419","0.002","7.438","0.002","17.814","0.003","90","","92.94","0.02","90","","717.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenylalanine benzoic acid solvate","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","AT6033","J. Suresh; R. V. Krishnakumar; S. Natarajan","<small>L</small>-Phenylalanine‒benzoic acid (1/1)","Acta Crystallographica Section E","2005","61","11","o3625","o3627","10.1107/S1600536805031661","","","0.71073","MoKα","","0.112","0.071","","","0.164","0.187","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200005","6.388","0.001","14.182","0.002","21.107","0.003","90","","90","","90","","1912.2","0.5","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cyproterone","6-chloro-1,2-dihydro-17-hydroxy-3'H-cyclopropa[a]pregna-1,4,6-triene- 3,20-dione","","- C22 H27 Cl O3 -","- C22 H27 Cl O3 -","- C88 H108 Cl4 O12 -","4","1","AT6034","de Ruyck, Jérôme; Henry de Hassonville, Sandrine; Liégeois, Jean-François; Wouters, Johan","Cyproterone and a comparison with its acetate ester","Acta Crystallographica Section E","2005","61","11","o3576","o3578","10.1107/S1600536805031673","","","1.54178","CuKα","","0.0367","0.036","","","0.1018","0.1027","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200006","8.0749","0.0014","19.795","0.003","10.1321","0.0017","90","","98.28","0.002","90","","1602.7","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-3-(2,6-Dichlorophenyl)-1-(pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)prop- 2-en-1-one","","- C16 H10 Cl2 N4 O -","- C16 H10 Cl2 N4 O -","- C64 H40 Cl8 N16 O4 -","4","1","AT6036","Liu, Jian-Bing; Dai, Hong; Tao, Wei-Feng; Jin, Zhong; Fang, Jian-Xin","(<i>Z</i>)-3-(2,6-Dichlorophenyl)-1-(pyridin-3-yl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","11","o3599","o3601","10.1107/S1600536805031454","","","0.71073","MoKα","","0.0407","0.0314","","","0.0828","0.0868","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200007","5.3054","0.0012","7.8287","0.0019","19.88","0.005","86.953","0.004","87.262","0.004","74.451","0.004","793.9","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N-(2-Hydroxyethyl)pyrazine-2-carboxamide","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C28 H36 N12 O8 -","4","2","AT6037","Zhang, Ming-Hua; Zheng, Shu-Ling; Zhou, Jian; Liu, Shang-Yuan; Zhao, Zeng-Guo","<i>N</i>-(2-Hydroxyethyl)pyrazine-2-carboxamide","Acta Crystallographica Section E","2005","61","11","o3568","o3570","10.1107/S1600536805031326","","","0.71073","MoKα","","0.094","0.049","","","0.116","0.134","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200008","6.9055","0.0014","7.0086","0.0014","10.074","0.002","71.62","0.03","76.09","0.03","71.93","0.03","434.34","0.18","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxypyridinium-1-acetate dihydrate","","- C7 H11 N O5 -","- C7 H11 N O5 -","- C14 H22 N2 O10 -","2","1","AT6038","Zhu-Yan Zhang; Li-Hua Huo; Shan Gao; Jing-Gui Zhao","3-Hydroxypyridinium-1-acetate dihydrate","Acta Crystallographica Section E","2005","61","11","o3589","o3591","10.1107/S1600536805031442","","","0.71073","MoKα","","0.0518","0.0402","","","0.1066","0.1128","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200009","5.2027","0.0002","17.8203","0.0007","19.0427","0.0007","90","","90","","90","","1765.52","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(2,2'-bipyridine)manganese(II)]-μ~2~-5-nitrobenzene- 1,3-dicarboxylato-κ^3^O:O',O'']","","- C18 H13 Mn N3 O7 -","- C18 H13 Mn N3 O7 -","- C72 H52 Mn4 N12 O28 -","4","1","AT6039","Xie, Gang; Zeng, Ming-Hua; Chen, San-Ping; Gao, Sheng-Li","<i>catena</i>-Poly[[aqua(2,2'-bipyridine)manganese(II)]-μ~2~-5-nitrobenzene-1,3-dicarboxylato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'']","Acta Crystallographica Section E","2005","61","11","m2273","m2275","10.1107/S1600536805031892","","","0.71073","MoKα","","0.0702","0.0451","","","0.0999","0.1133","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200010","12.932","0.006","7.532","0.003","24.322","0.011","90","","101.236","0.009","90","","2323.6","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Acetyl-4-methyl-2-phenylamino-1,3-thiazole","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C96 H96 N16 O8 S8 -","8","2","AT6042","Kasim, Noor Azilah M.; Yamin, Bohari M.","5-Acetyl-4-methyl-2-phenylamino-1,3-thiazole","Acta Crystallographica Section E","2005","61","11","o3794","o3795","10.1107/S160053680503326X","","","0.71073","MoKα","","0.098","0.055","","","0.111","0.125","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200011","9.1978","0.0011","22.423","0.003","14.8597","0.0018","90","","103.287","0.002","90","","2982.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triaqua(2,2'-bipyridine)copper(II) 7-oxadibenzofluorene-3,11-disulfonate dihydrate","","- C30 H28 Cu N2 O12 S2 -","- C30 H28 Cu N2 O12 S2 -","- C120 H112 Cu4 N8 O48 S8 -","4","1","BD6010","Guo, Li-Rong; Jiang, Long; Tan, Min-Yu","Triaqua(2,2'-bipyridine)copper(II) 7-oxadibenzofluorene-3,11-disulfonate dihydrate","Acta Crystallographica Section E","2005","61","11","m2259","m2261","10.1107/S1600536805031855","","","0.71073","MoKα","","0.0802","0.0474","","","0.1167","0.1381","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200012","7.3671","0.0017","6.02","0.002","13.689","0.003","90","","105.551","0.012","90","","584.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Tyrosinamide hydrochloride monohydrate","1-carbamoyl-2-(4-hydroxyphenyl)ethylammonium chloride monohydrate","","- C9 H15 Cl N2 O3 -","- C9 H15 Cl N2 O3 -","- C18 H30 Cl2 N4 O6 -","2","1","BH6029","Kolev, Tsonko; Spiteller, Michael; Sheldrick, William S.; Mayer-Figge, Heike; van Almsick, Tobias","<small>L</small>-Tyrosinamide hydrochloride monohydrate","Acta Crystallographica Section E","2005","61","11","o3819","o3821","10.1107/S1600536805033131","","","0.71073","MoKα","","0.0342","0.0292","","","0.076","0.0786","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200013","5.8623","0.0008","8.1322","0.001","30.674","0.004","90","","91.45","0.002","90","","1461.9","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-[(1-benzyl-2-hydroxyethylimino)methyl]-4-nitrophenol","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","2","BH6033","Pradeep, Chullikkattil P.","Intramolecular hydrogen transfer in (<i>S</i>)-2-[(1-benzyl-2-hydroxyethylimino)methyl]-4-nitrophenol, a new chiral Schiff base","Acta Crystallographica Section E","2005","61","11","o3825","o3827","10.1107/S1600536805033581","","","0.71073","MoKα","","0.053","0.0414","","","0.1014","0.1081","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200014","14.565","0.003","16.839","0.003","20.092","0.004","90","","110.47","0.03","90","","4616.6","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mer-Tris(isothiocyanato)tris(ethyldiphenylphosphine oxide)iron(III)","","- C45 H45 Fe N3 O3 P3 S3 -","- C45 H45 Fe N3 O3 P3 S3 -","- C180 H180 Fe4 N12 O12 P12 S12 -","4","1","BH6034","Olejnik, Zofia; Lis, Tadeusz; Ondrejkovičová, Iveta; Malo, Jozef; Galková, Sylvia","<i>mer</i>-Tris(ethyldiphenylphosphine oxide)tris(isothiocyanato)iron(III)","Acta Crystallographica Section E","2005","61","11","m2314","m2316","10.1107/S1600536805032319","","","0.71073","MoKα","","0.0884","0.047","","","0.1003","0.1139","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204832","8.6898","0.0006","30.008","0.002","8.1262","0.0006","90","","103.622","0.001","90","","2059.4","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4'-(2-Pyridyl)-2,2':6',2''-terpyridine-κ^3^N,N',N'']thiocyanatocopper(II) thiocynate","","- C22 H14 Cu N6 S2 -","- C22 H14 Cu N6 S2 -","- C88 H56 Cu4 N24 S8 -","4","1","AC6136","Hou, Lei; Li, Dan; Yin, Ye-Gao; Ng, Seik Weng","[4'-(2-Pyridyl)-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']isothiocyanatocopper(II) thiocyanate","Acta Crystallographica Section E","2005","61","1","m21","m22","10.1107/S1600536804031460","","","0.71073","MoKα","","0.067","0.051","","","0.122","0.134","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2204833","7.872","0.002","17.463","0.003","5.754","0.002","90","","90","","90","","791","0.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","2,7-dihydroxynaphthalene","Naphthalene-2,7-diol","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","1","AC6141","Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr","Naphthalene-2,7-diol","Acta Crystallographica Section E","2005","61","1","o114","o115","10.1107/S1600536804032453","","","0.71069","MoKα","","0.0494","0.0375","","","0.1178","0.1212","","","","","","1.196","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204834","7.0974","0.0005","12.6169","0.0008","14.0477","0.0009","115.397","0.001","90.959","0.001","102.666","0.001","1099.92","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(η^6^-N,N-Dimethylaniline)tricarbonylchromium","","- C11 H11 Cr N O3 -","- C11 H11 Cr N O3 -","- C44 H44 Cr4 N4 O12 -","4","2","AC6142","Zeller, Matthias; Hunter, Allen D.","Tricarbonyl(η^6^-<i>N,N</i>-dimethylaniline)chromium(0)","Acta Crystallographica Section E","2005","61","1","m23","m24","10.1107/S1600536804031484","","","0.71073","MoKα","","0.0471","0.0424","","","0.0974","0.0997","","","","","","1.182","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204835","13.2146","0.0017","6.9739","0.0009","16.21","0.002","90","","91.49","0.002","90","","1493.4","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","N,N,N-trimethyl-l-phenylalaninol bromide triydrate","[(R)-(+)-(1-hydroxy-3-phenylpropan-2-yl)trimethylammonium bromide] sesquihydrate","","- C12 H23 Br N O2.5 -","- C12 H23 Br N O2.5 -","- C48 H92 Br4 N4 O10 -","4","2","AC6143","Fan Chen; Zhi-Min Jin; Mao-Lin Hu","(<i>R</i>)-(+)-(1-Hydroxy-3-phenylpropan-2-yl)trimethylammonium bromide sesquihydrate","Acta Crystallographica Section E","2005","61","1","o72","o74","10.1107/S1600536804031708","","","0.71073","MoKα","","0.0541","0.0401","","","0.091","0.1021","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2204836","7.1843","0.0009","8.7554","0.0011","21.31","0.003","90","","90","","90","","1340.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","8β-Hydroxy-2,6,6-trimethyl-5βH,10βH-eudesma-1,7(11)-dien-12,8-olide","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","AC6144","Guang-Wen Zhang; Cheng-Zhu Liao; Xiang-Quan Ma; Cui-Xian Zhang; Hiroshi Kurihara; Xin-Sheng Yao; Jing-Yu Su; Long-Mei Zeng","8β-Hydroxy-2,6,6-trimethyl-5β<i>H</i>,10β<i>H</i>-eudesma-1,7(11)-dien-12,8-olide","Acta Crystallographica Section E","2005","61","1","o172","o173","10.1107/S1600536804032465","","","0.71073","MoKα","","0.0371","0.0352","","","0.0926","0.0947","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204837","8.2382","0.0002","10.0125","0.0003","7.8277","0.0002","90","","111.998","0.001","90","","598.66","0.03","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(ethylenediamine)nickel(II) dinitrate","","- C4 H16 N6 Ni O6 -","- C4 H16 N6 Ni O6 -","- C8 H32 N12 Ni2 O12 -","2","0.5","AC6145","Krause Bauer, Jeanette A.; Edison, Sara E.; Baldwin, Michael J.","Bis(ethylenediamine)nickel(II) dinitrate","Acta Crystallographica Section E","2005","61","1","m82","m84","10.1107/S1600536804032052","","","1.54178","CuKα","","0.0345","0.0314","","","0.0893","0.0915","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204838","7.4189","0.0018","25.667","0.006","5.9653","0.0015","90","","90","","90","","1135.9","0.5","174","2","174","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","4,4'-diiodobiphenyl","","- C12 H8 I2 -","- C12 H8 I2 -","- C48 H32 I8 -","4","0.5","AC6147","Britton, Doyle","4,4'-Diiodobiphenyl","Acta Crystallographica Section E","2005","61","1","o187","o188","10.1107/S1600536804033331","","","0.71073","MoKα","","0.022","0.02","","","0.042","0.042","","","","","","1.23","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204839","8.2533","0.0011","8.7907","0.0015","11.3643","0.0014","87.199","0.015","84.592","0.014","73.62","0.011","787.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Acetato-κ^2^O,O')(di-2-pyridylamine-κN)(trifluoroacetato-κO)copper(II)","","- C14 H12 Cu F3 N3 O4 -","- C14 H12 Cu F3 N3 O4 -","- C28 H24 Cu2 F6 N6 O8 -","2","1","BR6170","Zeng, Xi-Rui; Huang, Lin; Lei, Liang-Ping; Tang, Shi-Hua; Peng, Shie-Ming; Lee, Gene-Hsiang","(Acetato-κ^2^<i>O,O</i>')(di-2-pyridylamine-κ<i>N</i>)(trifluoroacetato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2005","61","1","m57","m59","10.1107/S1600536804031514","","","0.71073","MoKα","","0.0477","0.0371","","","0.1162","0.1252","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204840","11.779","0.011","7.363","0.007","12.025","0.011","90","","103.359","0.012","90","","1014.7","1.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 O7 Rb S -","- C7 H7 O7 Rb S -","- C28 H28 O28 Rb4 S4 -","4","1","BR6173","Mancheng Hu; Yanping Du; Shuni Li; Yucheng Jiang; Zhihong Liu; Chunyu Geng","Rubidium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2005","61","1","m15","m17","10.1107/S1600536804031290","","","0.71073","MoKα","","0.0589","0.0454","","","0.1298","0.1413","","","","","","0.977","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204841","13.5565","0.0009","10.2568","0.0007","8.1885","0.0005","90","","99.524","0.001","90","","1122.89","0.13","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Hexaaquamanganese(II) bis[5-(4-cyanophenyl)-2H-tetrazolate]","","- C16 H20 Mn N10 O6 -","- C16 H20 Mn N10 O6 -","- C32 H40 Mn2 N20 O12 -","2","0.25","BR6174","Ma,Zhijie; Tao, Jun; Huang, Rong-Bin; Zhang, Lan-Sun","Hexaaquamanganese(II) bis[5-(4-cyanophenyl)-2<i>H</i>-tetrazolate]","Acta Crystallographica Section E","2005","61","1","m1","m2","10.1107/S160053680403106X","","","0.71073","MoKα","","0.0437","0.0432","","","0.1097","0.1102","","","","","","1.154","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204842","14.74","0.003","10.883","0.002","14.075","0.003","90","","96.91","0.03","90","","2241.4","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-hydroxypyridinium) naphthalene-1,5-disulfonate dihydrate","","- C20 H22 N2 O10 S2 -","- C20 H22 N2 O10 S2 -","- C80 H88 N8 O40 S8 -","4","1","BT6557","Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","Bis(2-hydroxypyridinium) naphthalene-1,5-disulfonate dihydrate","Acta Crystallographica Section E","2005","61","1","o98","o99","10.1107/S1600536804032313","","","0.71073","MoKα","","0.066","0.044","","","0.113","0.123","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204843","7.683","0.004","11.341","0.008","11.344","0.005","82.12","0.02","71.01","0.02","79.56","0.03","915.9","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(μ~4~-benzene-1,2,4-tricarboxylato)bis(2,2'-bipyridine)tricadmium(II)","","- C38 H26 Cd3 N4 O14 -","- C38 H26 Cd3 N4 O14 -","- C38 H26 Cd3 N4 O14 -","1","0.5","BT6564","Wang, Xiu-Li; Liu, Fu-Chen; Li, Jian-Rong; Ng, Seik Weng","Polymeric diaquabis(μ~4~-benzene-1,2,4-tricarboxylato)bis(2,2'-bipyridine)tricadmium(II)","Acta Crystallographica Section E","2005","61","1","m123","m125","10.1107/S1600536804032520","","","0.71073","MoKα","","0.026","0.023","","","0.09","0.091","","","","","","1.29","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204844","7.683","0.001","8.549","0.001","9.382","0.001","76.249","0.002","70.14","0.002","72.355","0.002","546.04","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,2'-Dipropylmalonic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C18 H32 O8 -","2","1","BT6565","Mondal, S.; Narasegowda, R. S.; Nagaraj, B.; Yathirajan, H. S.; Narasimhamurthy, T.; Rathore, Ravindranath S.","2,2'-Dipropylmalonic acid: intermolecular association <i>via</i> strong O—H···O hydrogen bonds","Acta Crystallographica Section E","2005","61","1","o151","o153","10.1107/S1600536804033045","","","0.71073","MoKα","","0.0628","0.0505","","","0.14","0.1503","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204845","7.0046","0.0008","13.1146","0.0014","8.4316","0.0009","90","","109.753","0.002","90","","728.97","0.14","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3R,6S,6aR,9S,9aS)-6,6a,9-Trihydroxy-3,6,9a- trimethylperhydroazuleno[1,2-b]furan-2-one","","- C15 H24 O5 -","- C15 H24 O5 -","- C30 H48 O10 -","2","1","BT6566","G. Y. S. K. Swamy; K. Ravikumar; Biswanath Das; G. Mahender","(3<i>R</i>*,6<i>S</i>*,6<i>aR</i>*,9<i>S</i>*,9<i>aS</i>*)-6,6a,9-Trihydroxy-3,6,9a-trimethylperhydroazuleno[1,2-<i>b</i>]furan-2-one","Acta Crystallographica Section E","2005","61","1","o121","o123","10.1107/S1600536804032532","","","0.71073","MoKα","","0.0374","0.0368","","","0.0871","0.0874","","","","","","1.157","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204846","22.563","0.005","5.464","0.001","17.901","0.004","90","","126.02","0.03","90","","1785","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trisodium [hydrogen bis(5-sulfonatosalicylate)] monohydrate","","- C14 H11 Na3 O13 S2 -","- C14 H11 Na3 O13 S2 -","- C56 H44 Na12 O52 S8 -","4","0.5","BT6571","Zhu, Zhi-Biao; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","Hydrogen trisodium bis(5-sulfonatosalicylate) monohydrate","Acta Crystallographica Section E","2005","61","1","m192","m194","10.1107/S1600536804033604","","","0.71073","MoKα","","0.032","0.03","","","0.087","0.089","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204847","25.152","0.005","9.76","0.002","15.557","0.003","90","","123.01","0.03","90","","3202.5","1.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(2-Hydroxy-1-naphthalidene)phenylalanine","(2-carboxy-1-phenylethyl)iminiomethylene-1-naphth-2-olate","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","BT6572","Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","1-[(2-Carboxy-1-phenylethyl)iminiomethylene]naphth-2-olate","Acta Crystallographica Section E","2005","61","1","o192","o194","10.1107/S1600536804033616","","","0.71073","MoKα","","0.075","0.048","","","0.115","0.127","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204848","5.8699","0.0005","9.1235","0.0008","9.3113","0.0008","86.746","0.002","77.125","0.002","87.728","0.002","485.15","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Sodium pamidronate monohydrate","sodium 3-ammonium-1-hydroxypropylidene-1,1-bisphosphonate monohydrate","","- C3 H12 N Na O8 P2 -","- C3 H12 N Na O8 P2 -","- C6 H24 N2 Na2 O16 P4 -","2","1","BV6006","Stahl, Kenny; Treppendahl, Svend P.; Preikschat, Herbert; Fischer, Erik","Sodium 3-ammonio-1-hydroxypropylidene-1,1-bisphosphonate monohydrate","Acta Crystallographica Section E","2005","61","1","m132","m134","10.1107/S1600536804032568","","","0.71073","MoKα","","0.0497","0.0449","","","0.108","0.1112","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204849","12.8062","0.0007","8.1242","0.0004","12.4333","0.0008","90","","100.61","0.002","90","","1271.45","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl2 N8 Ni -","- C24 H32 Cl2 N8 Ni -","- C48 H64 Cl4 N16 Ni2 -","2","0.5","BV6007","W. G. Piyal Ariyananda; Richard E. Norman","Tetrakis(1,2-diaminobenzene)-κ^2^<i>N</i>;κ^4^<i>N,N</i>'-nickel(II) dichloride","Acta Crystallographica Section E","2005","61","1","m187","m189","10.1107/S1600536804033574","","","0.7107","MoKα","","0.0681","0.0625","","0.1258","","0.1097","","","0.9827","","","1.0224","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204850","13.047","0.002","11.6893","0.0014","7.8244","0.0012","90","","109.954","0.017","90","","1121.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Poly[[[triaquaerbium(III)]-μ~3~-succinato] chloride dihydrate]","Poly[[[triaquaerbium(III)]-μ~3~-succinato] chloride dihydrate]","","- C4 H14 Cl Er O9 -","- C4 H14 Cl Er O9 -","- C16 H56 Cl4 Er4 O36 -","4","0.5","CF6390","Nika, Wassiliki; Pantenburg, Ingo; Meyer, Gerd","Poly[[[triaquaerbium(III)]-μ~3~-succinato] chloride dihydrate]","Acta Crystallographica Section E","2005","61","1","m138","m140","10.1107/S1600536804032635","","","0.71073","MoKα","","0.0237","0.0202","","","0.0504","0.0511","","","","","","1.118","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204851","7.7315","0.0003","6.2859","0.0003","10.4209","0.0006","90","","102.102","0.0017","90","","495.19","0.04","190","","190","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,4-O-Isoprpylidene-D-arabinono-1,5-lactone","","- C9 H14 O5 -","- C9 H14 O5 -","- C18 H28 O10 -","2","1","CF6391","Punzo, Francesco; Watkin, David J.; Jenkinson, Sarah F.; Fleet, George W. J.","3,4-<i>O</i>-Isopropylidene-2-<i>C</i>-methyl-<small>D</small>-arabinono-1,5-lactone","Acta Crystallographica Section E","2005","61","1","o127","o129","10.1107/S1600536804032659","","","0.71073","MoKα","","0.0326","0.0306","","0.0784","0.0769","0.0784","","","","","","0.9927","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204852","19.395","0.003","7.5786","0.0011","7.393","0.0011","90","","98.607","0.003","90","","1074.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[(2-Chlorophenyl)methylenehydrazinocarbonyl]-1H-1,2,4-triazole","","- C10 H8 Cl N5 O -","- C10 H8 Cl N5 O -","- C40 H32 Cl4 N20 O4 -","4","1","CI6470","Fu-You Pan; Jian-Guo Yang","3-[(2-Chlorophenyl)methylenehydrazinocarbonyl]-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2005","61","1","o63","o64","10.1107/S1600536804027151","","","0.71073","MoKα","","0.095","0.0597","","","0.1228","0.1378","","","","","","0.995","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204853","9.985","0.0008","13.644","0.0011","16.3425","0.0014","90","","101.292","0.001","90","","2183.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(2-Chlorophenyl)-2-((1E)-[4-(dimethylamino)phenyl]methyleneamino)-4,7- dihydro-1-benzothiophene-3-carboxamide","","- C24 H22 Cl N3 O S -","- C24 H22 Cl N3 O S -","- C96 H88 Cl4 N12 O4 S4 -","4","1","CI6479","G. N. Anil Kumar; M .K. Kokila; Puttaraja; S.Mohan; K. S. Majunath shetty; Manohar V. Kulkarni","<i>N</i>-(2-Chlorophenyl)-2-{(1<i>E</i>)-[4-(dimethylamino)phenyl]methyleneamino}-4,7-dihydro-1-benzothiophene-3-carboxamide","Acta Crystallographica Section E","2005","61","1","o69","o71","10.1107/S1600536804031988","","","0.71073","MoKα","","0.0815","0.0692","","","0.1515","0.1577","","","","","","1.239","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204854","11.28","0.005","11.884","0.005","10.657","0.005","90","","114.169","0.005","90","","1303.4","1","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-Hydroxy-1,3-di-p-tolylpropenone","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","0.5","CI6484","Dege, Necmi; Yıldım, İsmail; Güldeste, Ayhan; İnaç, Hasan; Koca, İrfan; Nermin, Kahveci; Özyetiş, Ahmet; Büyükgüngör, Orhan","3-Hydroxy-1,3-di-<i>p</i>-tolylpropenone","Acta Crystallographica Section E","2005","61","1","o60","o62","10.1107/S1600536804030107","","","0.71073","MoKα","","0.0473","0.039","","","0.112","0.1167","","","","","","1.09","","","","has coordinates","198748","2020-10-21","18:00:00",""
"2204855","13.532","0.002","13.532","0.002","6.746","0.002","90","","90","","90","","1235.3","0.4","295","2","295","2","","","","","","","","3","I -4","I -4","82","","Tetrakis(phenylethynyl)germanium(IV)","","- C32 H20 Ge -","- C32 H20 Ge -","- C64 H40 Ge2 -","2","0.25","CI6492","Churakov, Andrei V.; Karlov, Sergey S.; Yakubova, Elmira Kh.; Selina, Anastasia A.; Zaitseva, Galina S.","Tetrakis(phenylethynyl)germanium(IV)","Acta Crystallographica Section E","2005","61","1","m52","m54","10.1107/S1600536804031241","","","0.71073","MoKα","","0.0309","0.0276","","","0.0642","0.0654","","","","","","1.149","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204856","10.352","0.002","8.7608","0.0018","13.811","0.003","90","","90","","90","","1252.5","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-Poly[[silver(I)-μ-tris(2-aminoethyl)amine-κ^4^N,N',N'':N'''] perchlorate]","","- C6 H18 Ag Cl N4 O4 -","- C6 H18 Ag Cl N4 O4 -","- C24 H72 Ag4 Cl4 N16 O16 -","4","1","CI6493","Liu, Zhao-Di; Zhu, Hai-Liang","<i>catena</i>-Poly[[silver(I)-μ-tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'':<i>N</i>'''] perchlorate]","Acta Crystallographica Section E","2005","61","1","m44","m46","10.1107/S160053680403168X","","","0.71073","MoKα","","0.0487","0.0362","","","0.0864","0.0919","","","","","","0.948","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204857","9.837","0.0007","10.1922","0.0008","10.9181","0.0008","94.327","0.001","92.633","0.001","97.719","0.001","1079.9","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(p-methoxyphenyl)-2,2'-(p-phenylenedioxy)diacetamide","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C48 H48 N4 O12 -","2","1","CI6494","Wen, Yong-Hong; Zhang, Shu-Sheng; Liang, Juan; Li, Xue-Mei","<i>N</i>,<i>N</i>'-Bis(<i>p</i>-methoxyphenyl)-2,2'-(<i>p</i>-phenylenedioxy)diacetamide","Acta Crystallographica Section E","2005","61","1","o96","o97","10.1107/S1600536804032180","","","0.71073","MoKα","","0.0883","0.0676","","","0.1698","0.1849","","","","","","1.043","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204858","5.2957","0.0003","16.2732","0.0009","13.9411","0.0008","90","","93.2","0.001","90","","1199.54","0.12","150","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene methanol disolvate","","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","- C56 H68 N8 O4 -","2","0.5","CI6495","Ai-Miao Qin; Xiang-Dong Pi; Cheng-Yong Su","1,4-Bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene methanol disolvate","Acta Crystallographica Section E","2005","61","1","o137","o138","10.1107/S1600536804032684","","","0.71073","MoKα","","","0.0405","","","","0.1034","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204859","14.271","0.0006","14.9228","0.0006","29.8597","0.0012","90","","90","","90","","6359","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4,10,16,21-Pentaaza-7,13,24-triazoniabicyclo[8.8.8]hexacosane monohydrate clathrate trichloride hexahydrate","","- C18 H59 Cl3 N8 O7 -","- C18 H59 Cl3 N8 O7 -","- C144 H472 Cl24 N64 O56 -","8","1","CI6496","Farrell, David; McKee, Vickie; Nelson, Jane","1,4,10,16,21-Pentaaza-7,13,24-triazoniabicyclo[8.8.8]hexacosane monohydrate clathrate trichloride hexahydrate","Acta Crystallographica Section E","2005","61","1","o81","o83","10.1107/S1600536804032088","","","0.71073","MoKα","","0.0554","0.0376","","","0.0897","0.1023","","","","","","1.034","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204860","12.872","0.002","9.282","0.003","24.761","0.007","90","","90","","90","","2958.4","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","1","CI6497","S. M. Malathy Sony; P. Charles; M. N. Ponnuswamy; H. S. Yathirajan","Valdecoxib, a non-steroidal anti-inflammatory drug","Acta Crystallographica Section E","2005","61","1","o108","o110","10.1107/S1600536804032118","","","0.71073","MoKα","","0.1534","0.0554","","","0.1378","0.1788","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204861","8.493","0.003","9.446","0.003","12.144","0.004","91.367","0.005","109.463","0.007","100.148","0.005","900.6","0.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","6-Amino-4-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine- 5-carbonitrile","","- C22 H20 N6 -","- C22 H20 N6 -","- C44 H40 N12 -","2","1","CI6499","Zhu, Song-Lei; Tu, Shu-Jiang; Zou, Xiang; Li, Tuan-Jie","6-Amino-4-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbonitrile","Acta Crystallographica Section E","2005","61","1","o29","o30","10.1107/S1600536804031642","","","0.7107","MoKα","","0.0495","0.0414","","","0.0983","0.1031","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204862","6.833","0.0006","10.3313","0.001","16.1635","0.0015","90","","94.486","0.002","90","","1137.55","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Pivaloyl-2-amino-6-hydroxymethylpyridine","N-[6-(Hydroxymethyl)pyridin-2-yl]-2,2-dimethylpropanamide","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C44 H64 N8 O8 -","4","1","CI6500","Shyamaprosad Goswami; Swapan Dey; Suchada Chantrapromma; Hoong-Kun Fun","<i>N</i>-[6-(Hydroxymethyl)pyridin-2-yl]-2,2-dimethylpropanamide","Acta Crystallographica Section E","2005","61","1","o105","o107","10.1107/S1600536804032398","","","0.71073","MoKα","","0.0727","0.0528","","","0.131","0.1461","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204863","10.98","0.004","12.499","0.004","12.865","0.004","90","","90","","90","","1765.6","1","123.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","1","CI6502","Masataka Watanabe; Taisuke Matsumoto; Shuntaro Mataka; Thies Thiemann","3-Methoxy-19-norpentara-1,3,5(10),17(20)-tetraen-21-one","Acta Crystallographica Section E","2005","61","1","o169","o171","10.1107/S160053680403363X","","","0.7107","MoKα","","","0.034","","","","0.073","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204864","6.8829","0.0014","23.589","0.005","7.7372","0.0015","90","","95.66","0.03","90","","1250.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(Hydroxyimino)butan-2-one (4-methoxybenzoyl)hydrazone","","- C12 H15 N3 O3 -","- C12 H15 N3 O3 -","- C48 H60 N12 O12 -","4","1","CI6504","Shan Gao; Zhao-Peng Deng; Li-Hua Huo; Hui Zhao","3-(Hydroxyimino)butan-2-one 4-methoxybenzoylhydrazone","Acta Crystallographica Section E","2005","61","1","o124","o126","10.1107/S1600536804032672","","","0.71073","MoKα","","0.059","0.0428","","","0.124","0.1334","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204865","9.4212","0.0006","12.8792","0.0009","10.0568","0.0007","90","","105.609","0.001","90","","1175.26","0.14","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","trans-2,2-Dimethyl-6-phenyltetrahydropyran-3-ol","trans-2,2-Dimethyl-6-phenyl-3,4,5,6-tetrahydro-2H-pyran-3-ol","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","CV6413","Hartung, Jens; Svoboda, Ingrid; Schmidt, Philipp; Murso, Alexander","<i>trans</i>-2,2-Dimethyl-6-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3-ol","Acta Crystallographica Section E","2005","61","1","o33","o34","10.1107/S1600536804031551","","","0.71073","MoKα","","0.0714","0.0685","","","0.1389","0.1404","","","","","","1.281","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204866","14.001","0.0002","7.0811","0.0001","15.6584","0.0003","90","","106.213","0.001","90","","1490.67","0.04","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4',5,5'-Tetrakis(methylsulfanyl)tetrathiafulvalene","","- C10 H12 S8 -","- C10 H12 S8 -","- C40 H48 S32 -","4","1","CV6415","Lei Wang; Jing-Ping Zhang; Bin Zhang","4,4',5,5'-Tetrakis(methylsulfanyl)tetrathiafulvalene","Acta Crystallographica Section E","2005","61","1","o65","o66","10.1107/S1600536804031769","","","0.71073","MoKα","","0.0541","0.0309","","","0.0739","0.0793","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204867","13.8829","0.0009","7.2027","0.0005","15.4632","0.001","90","","92.142","0.002","90","","1545.15","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-Chloro-2,2-dimethyl-1,3-diphenylpent-4-ene","1-Chloro-2,2-dimethyl-1,3-diphenylpent-4-ene","","- C19 H21 Cl -","- C19 H21 Cl -","- C76 H84 Cl4 -","4","1","CV6418","Hartung, Jens; Špehar, Kristina; Murso, Alexander; Svoboda, Ingrid","1-Chloro-2,2-dimethyl-1,3-diphenylpent-4-ene","Acta Crystallographica Section E","2005","61","1","o147","o148","10.1107/S1600536804032386","","","0.71073","MoKα","","0.07","0.0554","","","0.1071","0.1129","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204868","13.269","0.002","16.085","0.002","5.7278","0.0004","90","","90","","90","","1222.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","cis-3-bromo-2,2-dimethyl-5-phenyltetrahydropyran","cis-(3R,5R)-3-Bromo-2,2-dimethyl-5-phenyltetrahydropyran","","- C13 H17 Br O -","- C13 H17 Br O -","- C52 H68 Br4 O4 -","4","1","CV6419","Hartung, Jens; Svoboda, Ingrid; Schmidt, Philipp; Pfeiffer, Matthias","<i>cis</i>-(3<i>R</i>,5<i>R</i>)-3-Bromo-2,2-dimethyl-5-phenyltetrahydropyran","Acta Crystallographica Section E","2005","61","1","o15","o16","10.1107/S1600536804030995","","","0.71073","MoKα","","0.0434","0.0308","","","0.0684","0.0726","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204869","8.8112","0.0009","14.1852","0.0014","9.1367","0.0009","90","","111.867","0.001","90","","1059.82","0.18","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","dichloro (furaldehyde)phenylenediamine copper(II)","Dichloro[2-(2-furyl)-1H-benzimidazole-κN^3^]copper(II)","","- C22 H16 Cl2 Cu N4 O2 -","- C22 H16 Cl2 Cu N4 O2 -","- C44 H32 Cl4 Cu2 N8 O4 -","2","0.5","CV6420","Du, Gui-Xiang; Li, Jun; Zhang, Feng-Xing","Dichloro[2-(2-furyl)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]copper(II)","Acta Crystallographica Section E","2005","61","1","m119","m120","10.1107/S1600536804031009","","","0.71073","MoKα","","0.0263","0.0235","","","0.0675","0.0685","","","","","","1.109","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204870","9.4088","0.0006","10.2617","0.0008","12.6689","0.0008","90","","90","","90","","1223.19","0.15","193","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,4R,5R)-tert-Butyl N-(4-hydroxymethyl-6-oxabicyclo[3.1.0]hex-2-yl)carbamate","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C44 H76 N4 O16 -","4","1","CV6423","von Meltzer, Martin; Marsch, Michael; Carell, Thomas; Harms, Klaus","(1<i>S</i>,2<i>R</i>,4<i>R</i>,5<i>R</i>)-<i>tert</i>-Butyl <i>N</i>-(4-hydroxymethyl-6-oxabicyclo[3.1.0]hex-2-yl)carbamate","Acta Crystallographica Section E","2005","61","1","o23","o24","10.1107/S1600536804031563","","","0.71073","MoKα","","","0.0319","","","","0.0867","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204871","6.3","0.002","7.737","0.002","10.386","0.003","90","","106.712","0.004","90","","484.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Bis(1,3-dithiolan-2-ylidene)hydrazine","","- C6 H8 N2 S4 -","- C6 H8 N2 S4 -","- C12 H16 N4 S8 -","2","0.5","CV6424","Liang-zhong Xu; Hai-Zhen Xu; Shuang-Hua Yang; Chun-Li Li; Kai Zhou","1,2-Bis(1,3-dithiolan-2-ylidene)hydrazine","Acta Crystallographica Section E","2005","61","1","o31","o32","10.1107/S1600536804031575","","","0.71073","MoKα","","0.0548","0.0456","","","0.1202","0.1304","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204872","9.5514","0.0004","18.0919","0.0008","35.497","0.002","90","","95.17","0.001","90","","6109","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","μ-Phthalato-bis[tris(2-methyl-2-phenylpropyl)tin(IV)]","","- C68 H82 O4 Sn2 -","- C68 H82 O4 Sn2 -","- C272 H328 O16 Sn8 -","4","1","CV6425","Tian, Lai-Jin; Sun, Yu-Xi; Yang, Min; Ng, Seik Weng","μ-Phthalato-bis[tris(2-methyl-2-phenylpropyl)tin(IV)]","Acta Crystallographica Section E","2005","61","1","m74","m75","10.1107/S1600536804031952","","","0.71073","MoKα","","0.0866","0.055","","","0.1042","0.1153","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204873","7.015","0.004","7.759","0.004","18.638","0.009","89.456","0.009","84.369","0.009","68.346","0.008","937.9","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Hydroxy-3-methoxybenzaldehyde 2,4-dinitropheylhydrazone dimethylformamide solvate","","- C17 H19 N5 O7 -","- C17 H19 N5 O7 -","- C34 H38 N10 O14 -","2","1","CV6426","Jing, Zuo-Liang; Yu, Ming; Chen, Xin; Diao, Chun-Hua; Deng, Qi-Liang; Fan, Zhi","2-Hydroxy-3-methoxybenzaldehyde 2,4-dinitrophenylhydrazone dimethylformamide solvate","Acta Crystallographica Section E","2005","61","1","o145","o146","10.1107/S1600536804032878","","","0.71073","MoKα","","0.1233","0.0555","","","0.1253","0.165","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204874","11.5299","0.0005","12.9081","0.0005","17.4774","0.0009","90","","94.538","0.004","90","","2593","0.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[1,3-Bis(2-pyridylimino)isoindolinato-κ^3^N,N',N'']chloro(1,2-dicyanobenzene- κN)(dimethyl sulfoxide-κS)ruthenium(II)","","- C28 H22 Cl N7 O Ru S -","- C28 H22 Cl N7 O Ru S -","- C112 H88 Cl4 N28 O4 Ru4 S4 -","4","1","CV6427","Tamil Selvi Pitchumony; Helen Stoeckli-Evans","[1,3-Bis(2-pyridylimino)isoindolinato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']chloro(1,2-dicyanobenzene-κ<i>N</i>)(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","Acta Crystallographica Section E","2005","61","1","m69","m71","10.1107/S1600536804031812","","","0.71073","MoKα","","0.0485","0.0406","","","0.0888","0.0942","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204875","21.731","0.002","8.1038","0.0007","15.1428","0.0016","90","","121.595","0.002","90","","2271.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridine)bis(hydrogen isophthalato)zinc(II)","","- C26 H18 N2 O8 Zn -","- C26 H18 N2 O8 Zn -","- C104 H72 N8 O32 Zn4 -","4","0.5","CV6428","You-Fu Zhou; Wan-Juan Lin; Yong-Gui Huang; Mao-Chun Hong","(2,2'-Bipyridine)bis(hydrogen isophthalato)zinc(II)","Acta Crystallographica Section E","2005","61","1","m177","m179","10.1107/S1600536804033318","","","0.71073","MoKα","","","0.0814","","","0.1424","0.1686","","","","","","1.281","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204876","9.238","0.008","11.112","0.011","12.164","0.012","93.904","0.014","100.206","0.013","104.154","0.015","1183.5","1.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","N-(4-ferrocenylphenyl)-4-piperidino-1,8-naphthalimide","","- C33 H28 Fe N2 O2 -","- C33 H28 Fe N2 O2 -","- C66 H56 Fe2 N4 O4 -","2","1","CV6430","McAdam, C. John; Robinson, Brian H.; Simpson, Jim","<i>N</i>-(4-Ferrocenylphenyl)-4-piperidino-1,8-naphthalimide","Acta Crystallographica Section E","2005","61","1","m110","m112","10.1107/S1600536804032271","","","0.71073","MoKα","","0.0956","0.045","","","0.0806","0.0905","","","","","","0.89","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204877","8.1984","0.0004","9.7549","0.0005","11.8636","0.0006","70.971","0.001","75.508","0.001","72.077","0.001","841.48","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","di-μ-adipato-κ^6^O,O':O'';O:O',O''-bis[aqua(1,10-phenanthroline- κ^2^N,N')zinc(II)]","","- C36 H36 N4 O10 Zn2 -","- C36 H36 N4 O10 Zn2 -","- C36 H36 N4 O10 Zn2 -","1","0.5","CV6431","Ding, Cai-Feng; Zhang, Shu-Sheng; Zhu, Mei; Li, Xue-Mei; Xu, Hong; Ouyang, Ping-Kai","Di-μ-adipato-κ^6^<i>O</i>,<i>O</i>':<i>O</i>'';<i>O</i>:<i>O</i>',<i>O</i>''-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)zinc(II)]","Acta Crystallographica Section E","2005","61","1","m147","m148","10.1107/S160053680403288X","","","0.71073","MoKα","","0.025","0.0239","","","0.0646","0.0653","","","","","","1.084","","","","has coordinates,has Fobs","197922","2020-10-21","18:00:00",""
"2204878","12.535","0.003","7.856","0.002","16.253","0.003","90","","90","","90","","1600.5","0.6","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","5-(N,N-Diethylamino)-4,6-diphenyl-1,2,3-triazine","","- C19 H20 N4 -","- C19 H20 N4 -","- C76 H80 N16 -","4","1","DN6169","Rozycka-Sokolowska, Ewa; Girek, Tomasz; Marciniak, Bernard; Pavlyuk, Volodymyr; Drabowicz, Jozef; Matsumoto, Kyoshi","5-(<i>N</i>,<i>N</i>-Diethylamino)-4,6-diphenyl-1,2,3-triazine","Acta Crystallographica Section E","2005","61","1","o93","o95","10.1107/S1600536804032003","","","0.71069","MoKα","","0.0435","0.0346","","","0.0861","0.0875","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204879","13.908","0.0008","13.8441","0.0008","14.4835","0.0009","90","","93.173","0.003","90","","2784.4","0.3","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,2'-bipyridine)[1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-4-ium- 1-yl)quinoline-3-carboxylato]nitratocopper(II) nitrate dihydrate","","- C26 H30 Cu F N7 O11 -","- C26 H30 Cu F N7 O11 -","- C104 H120 Cu4 F4 N28 O44 -","4","1","DN6179","Yong-Qin Wei; Zhang-Feng Zhou; Bo-Tao Zhuang; Ke-Chen Wu; Cai-Ping Liu; Ming-Xi Zhang","The mixed-ligand copper(II) complex (2,2'-bipyridine)[1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-4-ium-1-yl)quinoline-3-carboxylato]nitratocopper(II) nitrate dihydrate","Acta Crystallographica Section E","2005","61","1","m66","m68","10.1107/S1600536804031861","","","0.71073","MoKα","","0.038","0.034","","","0.0782","0.0805","","","","","","1.087","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204880","27.158","0.002","9.0145","0.0007","18.1825","0.0015","90","","111.918","0.002","90","","4129.6","0.6","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-poly[[μ-cyano-1:2C:N-[1,3-bis(tetramethylguanidino)propane- 1κ^2^N,N']dicopper(II)]-μ-cyano-2:1'C:N]","","- C15 H30 Cu2 N8 -","- C15 H30 Cu2 N8 -","- C120 H240 Cu16 N64 -","8","1","DN6182","Herres-Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald","<i>catena</i>-Poly[[μ-cyano-[1,3-bis(tetramethylguanidino)propane]dicopper(I)]-μ-cyano]","Acta Crystallographica Section E","2005","61","1","m79","m81","10.1107/S160053680403199X","","","0.71073","MoKα","","0.0711","0.0391","","","0.0706","0.0778","","","","","","0.844","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204881","12.452","0.002","12.619","0.002","12.654","0.002","90","","96.002","0.001","90","","1977.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[silver(I)-μ~2~-2-methylpyrazine-μ~2~-trifluoroacetato], a re-investigation","","- C7 H6 Ag F3 N2 O2 -","- C7 H6 Ag F3 N2 O2 -","- C56 H48 Ag8 F24 N16 O16 -","8","2","DN6183","Zhu, Guang-Jun; You, Zhong-Lu; Zhu, Hai-Liang","Poly[silver(I)-μ~2~-2-methylpyrazine-μ~2~-trifluoroacetato], a reinvestigation","Acta Crystallographica Section E","2005","61","1","m87","m88","10.1107/S160053680403209X","","","0.71073","MoKα","","0.0559","0.0397","","","0.0888","0.0959","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2204882","11.298","0.003","11.841","0.002","12.776","0.003","108.28","0.02","112.84","0.02","98.71","0.02","1420.9","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","1-Chloro-4-propoxythioxanthone","1-Chloro-4-propoxy-10-thiaanthracen-9-one","","- C16 H13 Cl O2 S -","- C16 H13 Cl O2 S -","- C64 H52 Cl4 O8 S4 -","4","2","DN6184","Xuan-Gan Liu; Wei-Xiao Hu; Guo-Wu Rao","1-Chloro-4-propoxythioxanthone","Acta Crystallographica Section E","2005","61","1","o149","o150","10.1107/S1600536804031770","","","0.71073","MoKα","","0.0837","0.0419","","","0.1087","0.1281","","","","","","1.014","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204883","10.811","0.002","5.4155","0.0005","20.21","0.005","90","","98.871","0.001","90","","1169.1","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,5-Dimethyl-2-oxo-tetrahydrofuran-3-yl benzoate","2,2-Dimethyl-5-oxo-2,3,4,5-tetrahydrofuran-3-yl benzoate","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","FL6132","Hartung, Jens; Svoboda, Ingrid; Schmidt, Philipp; Pfeiffer, Matthias","2,2-Dimethyl-5-oxo-2,3,4,5-tetrahydrofuran-3-yl benzoate","Acta Crystallographica Section E","2005","61","1","o35","o36","10.1107/S1600536804031587","","","0.71073","MoKα","","0.0566","0.0391","","","0.0877","0.0953","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204884","16.029","0.011","12.985","0.009","21.106","0.014","90","","103.768","0.012","90","","4267","5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","μ-4,4'-Di-4-pyridyldiazene-κ^2^N:N'- bis{[1,1,1-tris(diphenylphosphinomethyl)ethane-κP^3^]copper(I)} bis(tetrafluoroboride) dichloromethane solvate","","- C93 H88 B2 Cl2 Cu2 F8 N4 P6 -","- C93 H86 B2 Cl2 Cu2 F8 N4 P6 -","- C186 H172 B4 Cl4 Cu4 F16 N8 P12 -","2","0.5","FL6133","Yu, Mingming; Li, Zhanxian; Fu, Wenfu; Zhang, Junfeng","μ-4,4'-Di-4-pyridyldiazene-κ^2^<i>N</i>:<i>N</i>'-bis{[1,1,1-tris(diphenylphosphinomethyl)ethane-κ<i>P</i>^3^]copper(I)} bis(tetrafluoroborate) dichloromethane solvate","Acta Crystallographica Section E","2005","61","1","m98","m100","10.1107/S1600536804031903","","","0.71073","MoKα","","0.0933","0.0483","","","0.1227","0.1457","","","","","","1.049","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204885","9.3546","0.0002","10.7074","0.0002","19.9204","0.0005","90","","90","","90","","1995.3","0.08","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-allyl-16,17a-dioxo-17-aza-D-homoestra-1,3,5(10)-trien-3-yl acetate","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","FL6136","Hema, R.; Parthasarathi, V.; Ranju Bansal; Linden, Anthony","17-Allyl-16,17a-dioxo-17-aza-<small>D</small>-homoestra-1,3,5(10)-trien-3-yl acetate","Acta Crystallographica Section E","2005","61","1","o160","o162","10.1107/S1600536804033173","","","0.71073","MoKα","","0.0662","0.0467","","","0.1138","0.1279","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204886","5.8718","0.0019","10.202","0.003","10.629","0.003","97.621","0.006","101.621","0.006","93.951","0.006","615.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","N,N,N',N'-tetrabenzylethylenediamine","","- C30 H32 N2 -","- C30 H32 N2 -","- C30 H32 N2 -","1","0.5","GH6008","Zhaohui Pan; Mingjie Zhang; Dongyan Yuan; Penggao Ma","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzylethylenediamine","Acta Crystallographica Section E","2005","61","1","o185","o186","10.1107/S1600536804033215","","","0.71073","MoKα","","0.0882","0.0453","","","0.1357","0.1807","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204887","8.566","0.006","8.807","0.007","18.729","0.017","90","","101.37","","90","","1385.2","1.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","catena-Poly[[(dihydrogenphosphato)silver(I)]-μ-4,4'-bipyridine] dihydrate]","","- C10 H14 Ag N2 O6 P -","- C10 H14 Ag N2 O6 P -","- C40 H56 Ag4 N8 O24 P4 -","4","1","HB6097","Wang, Li-Shi; Yang, Shi-Ping; Zhang, Jin-Feng","<i>catena</i>-Poly[[[(dihydrogenphosphato)silver(I)]-μ-4,4'-bipyridine] dihydrate]","Acta Crystallographica Section E","2005","61","1","m25","m26","10.1107/S1600536804031435","","","0.71073","MoKα","","0.1483","0.0908","","","0.2475","0.3281","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204888","8.0952","0.0005","13.957","0.0008","14.1416","0.0008","93.925","0.001","91.488","0.001","103.777","0.001","1546.7","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[(4'-phenyl-2,2':6',2''-terpyridine-κ^3^N)copper(II)]- μ-terephthalato-κ^2^O:O'] terephthalic acid]","","- C37 H25 Cu N3 O8 -","- C37 H25 Cu N3 O8 -","- C74 H50 Cu2 N6 O16 -","2","1","HB6119","Tu, Qi-Dong; Yin, Ye-Gao; Li, Dan; Huang, Xiao-Chun; Ng, Seik Weng","<i>catena</i>-Poly[[[(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>)copper(II)]-μ-terephthalato-κ^2^<i>O</i>:<i>O</i>'] terephthalic acid]","Acta Crystallographica Section E","2005","61","1","m103","m105","10.1107/S1600536804031940","","","0.71073","MoKα","","0.054","0.043","","","0.113","0.127","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204889","5.7221","0.0004","10.3906","0.0008","10.4865","0.0008","117.442","0.001","101.677","0.0008","92.951","0.001","534.31","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(2-amino-4,6-dimethylpyrimidine)(cadmium(II)thiocyante)","catena-Poly[[[diaquacadmium(II)]-di-μ-thiocyanato] bis(2-amino-4,6-dimethylpyrimidine)]","","- C14 H22 Cd N8 O2 S2 -","- C14 H22 Cd N8 O2 S2 -","- C14 H22 Cd N8 O2 S2 -","1","0.5","HB6125","Packianathan Thomas Muthiah; Madhukar Hemamalini; Ray J. Butcher","<i>catena</i>-Poly[[[diaquacadmium(II)]-di-μ-thiocyanato] bis(2-amino-4,6-dimethylpyrimidine)]","Acta Crystallographica Section E","2005","61","1","m63","m65","10.1107/S1600536804031721","","","0.71073","MoKα","","0.0342","0.0326","","","0.0853","0.0863","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204890","14.3214","0.0014","24.855","0.002","29.709","0.003","90","","90","","90","","10575.2","1.7","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dipotassium hexakis({2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)) tetracyanonickel(II) methanol hexasolvate dihydrate","","- C106 H112 K2 N16 Ni7 O20 -","- C106 H112 K2 N16 Ni7 O20 -","- C424 H448 K8 N64 Ni28 O80 -","4","0.5","HB6126","Skovgaard, Signe; Bond, Andrew D.; McKenzie, Christine J.","Dipotassium hexakis({2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)) tetracyanonickelate(II) methanol hexasolvate dihydrate","Acta Crystallographica Section E","2005","61","1","m135","m137","10.1107/S160053680403154X","","","0.7107","MoKα","","0.1476","0.0547","","","0.1138","0.1451","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204891","9.2704","0.0019","11.161","0.002","11.456","0.002","108.72","0.03","106.56","0.03","90.39","0.03","1069.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^N:N']] bis(3-carboxylatophenoxyacetate) dihydrate]","","- C38 H48 Co2 N4 O20 -","- C38 H48 Co2 N4 O20 -","- C38 H48 Co2 N4 O20 -","1","0.5","HB6127","Zhao, Jing-Gui; Gu, Chang-Sheng; Gao, Shan; Huo, Li-Hua; Liu, Ji-Wei","<i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-carboxylatophenoxyacetate monohydrate]","Acta Crystallographica Section E","2005","61","1","m33","m35","10.1107/S1600536804031447","","","0.71073","MoKα","","0.0827","0.0453","","","0.0914","0.1014","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204892","11.462","0.004","12.478","0.004","13.23","0.005","95.491","0.006","115.07","0.005","110.291","0.005","1540.6","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","μ-oxo-bis({2,2-[propane-1,2-diylbis(nitrilomethylidyne)]diphenolato}iron(III))","","- C34 H32 Fe2 N4 O5 -","- C34 H32 Fe2 N4 O5 -","- C68 H64 Fe4 N8 O10 -","2","1","HB6129","You, Zhong-Lu; Tang, Lu-Lu; Zhu, Hai-Liang","A dinuclear oxygen-bridged Schiff base iron(III) complex derived from <i>N</i>,<i>N</i>'-bis(2-hydroxybenzylidene)-1,2-diaminopropane","Acta Crystallographica Section E","2005","61","1","m36","m38","10.1107/S1600536804031368","","","0.71073","MoKα","","0.1124","0.0555","","","0.1315","0.1607","","","","","","0.906","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204893","17.416","0.005","7.624","0.005","17.667","0.005","90","","90","","90","","2345.8","1.8","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Dichlorobis[1-(2-ethoxyethyl)-1H-benzimidazole-κN^3^]nickel(II)","","- C22 H28 Cl2 N4 Ni O2 -","- C22 H28 Cl2 N4 Ni O2 -","- C88 H112 Cl8 N16 Ni4 O8 -","4","1","HB6130","Mehmet Akkurt; Selvi Karaca; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör","Dichlorobis[1-(2-ethoxyethyl)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]nickel(II)","Acta Crystallographica Section E","2005","61","1","m41","m43","10.1107/S1600536804031356","","","0.71073","MoKα","","0.0279","0.0267","","","0.0686","0.0691","","","","","","1.067","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204894","14.509","0.005","6.9285","0.0019","12.806","0.003","90","","95.62","0.04","90","","1281.1","0.6","293","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl(η^5^-cyclopentadienyl)(3-iodopropyl)tungsten(II)","","- C11 H11 I O3 W -","- C11 H11 I O3 W -","- C44 H44 I4 O12 W4 -","4","1","HB6131","Holger B. Friedrich; Martin O. Onani; Melanie Rademeyer","Tricarbonyl(η^5^-cyclopentadienyl)(3-iodopropyl)tungsten(II)","Acta Crystallographica Section E","2005","61","1","m144","m146","10.1107/S1600536804032362","","","0.71073","MoKα","","0.0387","0.0318","","","0.0758","0.0784","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204895","23.5075","0.0013","13.9199","0.001","11.531","0.008","90","","90","","90","","3773","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2,6-Dichlorobenzylamino)-3,5-diphenyl-4H-1,2,4-triazole","","- C21 H16 Cl2 N4 -","- C21 H16 Cl2 N4 -","- C168 H128 Cl16 N32 -","8","1","HG6107","Atalay, Şehriman; Yavuz, Metin; Bekircan, Olcay; Alpay Karaoǧlu, Şengül; Şahinbaş, Esra; Şaşmaz, Selami","4-(2,6-Dichlorobenzylamino)-3,5-diphenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2005","61","1","o90","o92","10.1107/S1600536804032179","","","0.71073","MoKα","","0.0912","0.0356","","","0.0688","0.0791","","","","","","0.752","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204896","8.335","0.003","10.034","0.003","20.017","0.006","90","","91.81","0.006","90","","1673.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[5,6:14,15-Dibenzo-1,4,8,12-tetraazacyclopentadeca-7,13-diene- 2,3-dione(2-)]nickel(II) monohydrate","","- C19 H18 N4 Ni O3 -","- C19 H18 N4 Ni O3 -","- C76 H72 N16 Ni4 O12 -","4","1","HG6112","Xiu-Li Wang; Ya-Qiu Sun","[5,6:14,15-Dibenzo-1,4,8,12-tetraazacyclopentadeca-7,13-diene-2,3-dione(2‒)]nickel(II) monohydrate","Acta Crystallographica Section E","2005","61","1","m171","m173","10.1107/S1600536804032969","","","0.71073","MoKα","","0.0436","0.03","","","0.0649","0.0697","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204897","8.595","0.002","8.868","0.002","11.628","0.003","77.197","0.004","79.27","0.004","73.478","0.004","821.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,6-Dimethoxy-1-(toluene-4-sulfonyl)benzo[c]isoxazol-3(1H)-one","","- C16 H15 N O6 S -","- C16 H15 N O6 S -","- C32 H30 N2 O12 S2 -","2","1","HG6116","Shang, Zhenhua; Zhao, Kang","5,6-Dimethoxy-1-(4-tolylsulfonyl)benzo[<i>c</i>]isoxazol-3(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","1","o132","o133","10.1107/S160053680403260X","","","0.71073","MoKα","","0.0699","0.0414","","","","0.1263","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204898","14.1386","0.0002","9.9659","0.0001","18.2523","0.0003","90","","90.2765","0.0005","90","","2571.79","0.06","123","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-Chlorobenzoylamino)-4-(8-chloro-5H-dibenzo[b,e][1,4]diazepin-11-yl)- 1-methylhexahydropyrazin-1-ium dichloromethane solvate","","- C26 H25 Cl4 N5 O -","- C26 H25 Cl4 N5 O -","- C104 H100 Cl16 N20 O4 -","4","1","HG6118","Capuano, Ben; Crosby, Ian T.; Egan, Simon J.; Fallon, Gary D.; Lloyd, Edward J.; Neve, Juliette E.","4-Chloro-<i>N</i>-[4-(8-chloro-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>][1,4]diazepin-11-yl)-1-methylpiperazinio]benzamidate dichloromethane solvate","Acta Crystallographica Section E","2005","61","1","o20","o22","10.1107/S1600536804031095","","","0.71073","MoKα","","","0.0533","","","","0.1111","","","","","","1.022","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204899","10.0407","0.0016","17.007","0.003","30.197","0.005","90","","90","","90","","5156.5","1.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4,6-Trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione","","- C13 H16 N2 S -","- C13 H16 N2 S -","- C208 H256 N32 S16 -","16","2","IS6010","Yamin, Bohari M.; Kasim, Noor Azilah M.; Hamzah, Noraini","4,4,6-Trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","1","o55","o57","10.1107/S1600536804031320","","","0.71073","MoKα","","0.0641","0.0581","","","0.1598","0.1638","","","","","","1.131","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204900","6.8297","0.0001","12.097","0.0002","27.8762","0.0004","90","","90","","90","","2303.1","0.06","83","2","83","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-1-{2-[(4-methoxybenzyl)oxy]ethyl}-2-methyl-3-butenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate","","- C25 H34 O6 -","- C25 H34 O6 -","- C100 H136 O24 -","4","1","IS6013","Kai T. Meilert; George R. Clark; Tania Groutso; Margaret A. Brimble","(1<i>S</i>,2<i>S</i>)-1-{2-[(4-Methoxybenzyl)oxy]ethyl}-2-methyl-3-butenyl (1<i>S</i>,4<i>R</i>)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate","Acta Crystallographica Section E","2005","61","1","o6","o7","10.1107/S1600536804030946","","","0.71073","MoKα","","0.0535","0.0412","","","0.0862","0.0918","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204901","22.565","0.007","9.393","0.003","21.052","0.007","90","","115.682","0.008","90","","4021","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","16β-Bromo-17α-hydroxypregn-4-ene-3,20-dione","","- C21 H29 Br O3 -","- C21 H29 Br O3 -","- C168 H232 Br8 O24 -","8","2","IS6018","Shi Wang; Yongli Wang; Qiang Nie; Aishuang Xiang; Lina Zhou","16β-Bromo-17α-hydroxypregn-4-ene-3,20-dione","Acta Crystallographica Section E","2005","61","1","o1","o2","10.1107/S1600536804031083","","","0.71073","MoKα","","0.0954","0.0426","","","0.0778","0.0933","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204902","10.4974","0.0008","20.3856","0.0013","13.2263","0.001","90","","95.332","0.002","90","","2818.1","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[4-trimethylammonio)phenyl] disulfide tetraiodomercurate(II)","","- C18 H26 Hg I4 N2 S2 -","- C18 H26 Hg I4 N2 S2 -","- C72 H104 Hg4 I16 N8 S8 -","4","1","IS6020","Chen, Jin-Xiang; Zhang, Wen-Hua; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","Bis[4-(trimethylammonio)phenyl] disulfide tetraiodomercurate(II)","Acta Crystallographica Section E","2005","61","1","m60","m62","10.1107/S1600536804031630","","","0.7107","MoKα","","0.0481","0.0405","","","0.0963","0.1008","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204903","18.4522","0.0009","11.5264","0.0006","11.4079","0.0006","90","","90","","90","","2426.3","0.2","295","2","295","2","","","","","","","","5","P n n a","-P 2a 2bc","52","Tetra-n-butylammonium tetrachloro-iron","Tetrabutylammonium tetrachloroferrate(III)","","- C16 H36 Cl4 Fe N -","- C16 H36 Cl4 Fe N -","- C64 H144 Cl16 Fe4 N4 -","4","0.5","IS6021","Hay, Michael T.; Geib, Steven J.","Tetrabutylammonium tetrachloroferrate(III)","Acta Crystallographica Section E","2005","61","1","m190","m191","10.1107/S1600536804031824","","","0.71073","MoKα","","0.0804","0.0526","","","0.1623","0.1731","","","","","","1.331","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204904","10.281","0.003","10.672","0.004","12.945","0.005","79.209","0.015","67.071","0.012","63.502","0.013","1170.5","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","catena-Poly[[bis(O,O'-dimethyl dithiophosphato-κ^2^S,S')cadmium(II)]-μ-4,4'-bipyridine-N:N']","","- C14 H20 Cd N2 O4 P2 S4 -","- C14 H20 Cd N2 O4 P2 S4 -","- C28 H40 Cd2 N4 O8 P4 S8 -","2","1","IS6023","Tao Li; Zhi-Hua LI; Shao-Wu Du","<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-dimethyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)]-μ-4,4'-bipyridine-<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2005","61","1","m95","m97","10.1107/S1600536804031885","","","0.71073","MoKα","","0.0487","0.0418","","","0.1024","0.1086","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204905","13.345","0.0004","8.016","0.0004","12.378","0.0007","90","","104.391","0.003","90","","1282.57","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-nitrophenyl p-toluenesulfonate","4-Nitrophenyl 4-toluenesulfonate","","- C13 H11 N O5 S -","- C13 H11 N O5 S -","- C52 H44 N4 O20 S4 -","4","1","IS6024","Vadivelu Manivannan; Nagarajan Vembu; Maruthai Nallu; Kandasamy Sivakumar; Fronczek Frank R","4-Nitrophenyl 4-toluenesulfonate: supramolecular aggregation through weak C—H···O, C—H···π and van der Waals interactions","Acta Crystallographica Section E","2005","61","1","o75","o78","10.1107/S1600536804032015","","","0.71073","MoKα","","0.084","0.0372","","","0.0865","0.0915","","","","","","0.876","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204906","7.953","0.001","20.468","0.003","7.945","0.0009","90","","99.516","0.008","90","","1275.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","o-nitrophenyl o-toluenesulfonate","2-Nitrophenyl 4-toluenesulfonate","","- C13 H11 N O5 S -","- C13 H11 N O5 S -","- C52 H44 N4 O20 S4 -","4","1","IS6025","Vadivelu Manivannan; Nagarajan Vembu; Maruthai Nallu; Kandasamy Sivakumar; Fronczek R. Frank","2-Nitrophenyl 4-toluenesulfonate: supramolecular aggregation through weak C—H···O, C—H···π and π‒π interactions","Acta Crystallographica Section E","2005","61","1","o118","o120","10.1107/S1600536804032477","","","0.71073","MoKα","","0.1071","0.0612","","","0.1791","0.1867","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204907","7.535","0.001","7.935","0.001","19.368","0.003","90","","95.03","0.04","90","","1153.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[2-mercaptopyridine N-oxide(1-)-κ^2^N,O]platinum(II)","","- C10 H8 N2 O2 Pt S2 -","- C10 H8 N2 O2 Pt S2 -","- C40 H32 N8 O8 Pt4 S8 -","4","1","IS6026","Zhou, Jian-Hao; Li, Yi-Zhi; Liu, Zheng; Chen, Xue-Tai","Bis[2-mercaptopyridine <i>N</i>-oxide(1‒)-κ^2^<i>N,O</i>]platinum(II)","Acta Crystallographica Section E","2005","61","1","m195","m197","10.1107/S1600536804033264","","","0.71073","MoKα","","0.0663","0.0481","","","0.1061","0.1115","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204908","15.465","0.004","9.988","0.002","11.227","0.003","90","","93.554","0.003","90","","1730.8","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-dimethyl-3-oxo-N-phenyl-2-(1H-1,2,4-triazol-1-yl)pentanethioamide monohydrate","","- C15 H20 N4 O2 S -","- C15 H20 N4 O2 S -","- C60 H80 N16 O8 S4 -","4","1","IS6027","Xu, Liang-Zhong; Xu, Hai-Zhen; Yu, Guan-Ping; Yang, Shuang-Hua; Li, Chun-Li","4,4-Dimethyl-3-oxo-<i>N</i>-phenyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)pentanethioamide monohydrate","Acta Crystallographica Section E","2005","61","1","o163","o165","10.1107/S1600536804033276","","","0.71073","MoKα","","0.0876","0.0455","","","0.114","0.132","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204909","12.642","0.002","8.5036","0.0014","16.934","0.003","90","","98.488","0.003","90","","1800.5","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 5-amino-3-methylisoxazole-4-carboxylate","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C56 H80 N16 O24 -","8","1","IS6029","Sony, S. M. Malathy; Charles, P.; Ponnuswamy, M. N.; Yathirajan, H. S.; Nethaji, M.","Ethyl 5-amino-3-methylisoxazole-4-carboxylate","Acta Crystallographica Section E","2005","61","1","o198","o200","10.1107/S1600536804033720","","","0.71073","MoKα","","0.0935","0.0629","","","0.1379","0.1512","","","","","","1.137","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204910","16.6409","0.0011","8.7622","0.0006","13.9279","0.0009","90","","120.288","0.002","90","","1753.6","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[aquaneodymiun(III)]-μ~5~-citrato]","","- C6 H7 Nd O8 -","- C6 H7 Nd O8 -","- C48 H56 Nd8 O64 -","8","1","KP6015","Yuan, Da-Qiang; Xu, Yan-Qing; Wu, Ming-Yan; Hong, Mao-Chun","Poly[[aquaneodymium(III)]-μ~5~-citrato]","Acta Crystallographica Section E","2005","61","1","m108","m109","10.1107/S1600536804032210","","","0.71073","MoKα","","","0.0459","","","0.0976","0.1089","","","","","","1.156","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204911","11.853","0.002","5.052","0.0009","17.641","0.003","90","","102.72","0.009","90","","1030.4","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-Poly[-diaquazinc(II)]-μ-4-carboxylatophenoxyacetato]","","- C9 H10 O7 Zn -","- C9 H10 O7 Zn -","- C36 H40 O28 Zn4 -","4","0.5","KP6023","Zhao, Jing Gui; Gao, Shan; Huo, Li Hua; Ng, Seik Weng","<i>catena</i>-Poly[[diaquazinc(II)]-μ-4-carboxylatophenoxyacetato]","Acta Crystallographica Section E","2005","61","1","m115","m116","10.1107/S1600536804032222","","","0.71073","MoKα","","0.055","0.045","","","0.11","0.114","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204912","8.42","0.002","13.087","0.003","8.938","0.002","90","","116.45","0.03","90","","881.8","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-Diaminotoluene-4-sulfonic acid","2-amino-6-ammoniotoluene-4-sulfonate","","- C7 H10 N2 O3 S -","- C7 H10 N2 O3 S -","- C28 H40 N8 O12 S4 -","4","1","KP6024","Huo, Li Hua; Xu, Shi Xiao; Gao, Shan; Zain, Sharifuddin M.; Ng, Seik Weng","6-Amino-2-ammoniotoluene-4-sulfonate","Acta Crystallographica Section E","2005","61","1","o100","o101","10.1107/S1600536804032234","","","0.71073","MoKα","","0.072","0.045","","","0.103","0.115","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204913","5.9958","0.0013","15.891","0.003","13.085","0.003","90","","97.49","0.02","90","","1236.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(2-hexyl-2H-tetrazole-κN^4^)copper(II)]-di-μ-chloro]","","- C7 H14 Cl2 Cu N4 -","- C7 H14 Cl2 Cu N4 -","- C28 H56 Cl8 Cu4 N16 -","4","1","KP6026","Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.","<i>catena</i>-Poly[[(2-hexyl-2<i>H</i>-tetrazole-κ<i>N</i>^4^)copper(II)]-di-μ-chloro]","Acta Crystallographica Section E","2005","61","1","m183","m186","10.1107/S1600536804033446","","","0.71073","MoKα","","0.0415","0.0327","","","0.0879","0.0948","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204914","8.5896","0.0014","9.3966","0.0015","10.9312","0.0018","96.489","0.002","99.109","0.002","103.805","0.002","835.5","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate","","- C18 H18 O7 -","- C18 H18 O7 -","- C36 H36 O14 -","2","1","KP6028","Shu, Ren-Geng; Zhu, Hai-Liang; Tan, Ren-Xiang","Methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate","Acta Crystallographica Section E","2005","61","1","o189","o191","10.1107/S160053680403346X","","","0.71073","MoKα","","0.0768","0.0633","","","0.1439","0.1505","","","","","","1.156","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204915","8.1027","0.0016","12.668","0.003","13.436","0.003","110.74","0.03","92.41","0.03","103.37","0.03","1243.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(Acetato-κO)[diacetyl monooxime (4-methoxybenzoyl)hydrazonato- κ^3^O,N,N']bis(pyridine-κN)nickel(II)","","- C24 H27 N5 Ni O5 -","- C24 H27 N5 Ni O5 -","- C48 H54 N10 Ni2 O10 -","2","1","KP6029","Shan Gao; Li-Hua Huo; Zhao-Peng Deng; Hui Zhao","(Acetato-κ<i>O</i>)[diacetyl monooxime (4-methoxybenzoyl)hydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>']bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2005","61","1","m152","m154","10.1107/S1600536804033495","","","0.71073","MoKα","","0.0641","0.0407","","","0.0906","0.1043","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204916","15.0216","0.0013","9.6464","0.0008","12.6545","0.001","90","","100.708","0.006","90","","1801.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-1-(1,2,3,9-tetrahydro-9-methyl-4-oxo-4H-carbazol-3-ylmethyl)-1H- imidazol-3-ium chloride dihydrate","","- C18 H24 Cl N3 O3 -","- C18 H24 Cl N3 O3 -","- C72 H96 Cl4 N12 O12 -","4","1","LH6309","Bolte, Michael; Yathirajan, Hemmige S.; Nagaraj, B.; Nagaraja, P.","Disorder in ondansetron hydrochloride dihydrate","Acta Crystallographica Section E","2005","61","1","o47","o48","10.1107/S1600536804028971","","","0.71073","MoKα","","0.0455","0.0328","","","0.0842","0.0872","","","","","","0.956","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204917","7.2051","0.0019","12.139","0.003","12.732","0.003","84.319","0.005","82.17","0.005","80.583","0.005","1085","0.5","100","2","273","2","","","","","","","","6","P -1","-P 1","2","","3-Methoxycarbonyl-1-methylpyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(II)","","- C14 H10 N Ni O2 S10 -","- C14 H10 N Ni O2 S10 -","- C28 H20 N2 Ni2 O4 S20 -","2","1","LH6312","Tomono, Kazuaki; Sasaki, Yuka; Miyamura, Kazuo","3-Methoxycarbonyl-1-methylpyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(II)","Acta Crystallographica Section E","2005","61","1","m18","m20","10.1107/S1600536804031034","","","0.71073","MoKα","","0.0861","0.0639","","","0.1776","0.1847","","","","","","1.067","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204918","7.518","0.003","14.801","0.01","7.678","0.006","90","","91.91","0.05","90","","853.9","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-hydroxy-2,6-dimethoxybenzaldehyde","4-hydroxy-2,6-dimethoxybenzaldehyde","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","LH6314","Wuyts, Cindy; Vande Velde, Christophe M. L.; Geise, Herman J.; Blockhuys, Frank","4-Hydroxy-2,6-dimethoxybenzaldehyde","Acta Crystallographica Section E","2005","61","1","o79","o80","10.1107/S1600536804030053","","","0.71073","MoKα","","0.1294","0.0537","","","0.0964","0.1199","","","","","","0.968","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204919","15.563","0.004","7.2595","0.0017","15.425","0.004","90","","113.412","0.003","90","","1599.2","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-tetramethylpyrazine 1,4-dioxide‒diaquadithiocyanatezinc(II) (1/1)","","- C10 H16 N4 O4 S2 Zn -","- C10 H16 N4 O4 S2 Zn -","- C40 H64 N16 O16 S8 Zn4 -","4","1","LH6323","Shi, Jing-Min; Zhang, Xia; Lu, Jian-Jun; Liu, Lian-Dong; Ma, Jian-Ping","The 1:1 adduct of 2,3,5,6-tetramethylpyrazine 1,4-dioxide and diaquabis(thiocyanato-κ<i>N</i>)zinc(II) (ATD)","Acta Crystallographica Section E","2005","61","1","m47","m49","10.1107/S1600536804031599","","","0.71073","MoKα","","0.0435","0.0354","","","0.0921","0.0963","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204920","9.521","0.001","9.41","0.001","17.426","0.002","90","","103.44","0.01","90","","1518.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","perfluoro 6-isopropyl-2,4,5-trimethyl-benzenecarbonitrile","3-fluoro-6-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-2,4,5- tris(trifluoromethyl)benzonitrile","","- C13 F17 N -","- C13 F17 N -","- C52 F68 N4 -","4","1","LH6327","Batsanov, Andrei S.; Richmond, Paul; Sandford, Graham; Chambers, Richard D.","Perfluorinated 6-isopropyl-2,4,5-trimethylbenzonitrile","Acta Crystallographica Section E","2005","61","1","o45","o46","10.1107/S1600536804031745","","","0.71073","MoKα","","0.1277","0.0574","","","0.1078","0.134","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204921","8.523","0.001","22.678","0.005","7.769","0.002","90","","93.388","0.015","90","","1499","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Anthracen-9-ylmethyl)diethylamine at 100K","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","LH6328","Howie, R. Alan; Kindness, Andrew; McKay, Michael G.; Maguire, Glenn E. M.","(Anthracen-9-ylmethyl)diethylamine at 100K","Acta Crystallographica Section E","2005","61","1","o52","o54","10.1107/S1600536804031265","","","0.71073","MoKα","","0.0681","0.0476","","","0.1264","0.1367","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204922","12.8111","0.0003","14.8721","0.0004","12.8378","0.0003","90","","91.3964","0.0014","90","","2445.23","0.1","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Bis(8-hydroxyquinolinato-κ^2^N,O)diphenyltin(IV)","","- C30 H22 N2 O2 Sn -","- C30 H22 N2 O2 Sn -","- C120 H88 N8 O8 Sn4 -","4","1","LH6330","Linden, Anthony; Basu Baul, Tushar S.; Mizar, Archana","<i>cis</i>-Bis(8-hydroxyquinolinato-κ^2^<i>N</i>,<i>O</i>)diphenyltin(IV)","Acta Crystallographica Section E","2005","61","1","m27","m29","10.1107/S1600536804031277","","","0.71073","MoKα","","0.0632","0.0374","","","0.0799","0.0909","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204923","15.815","0.006","15.815","0.006","16.773","0.009","90","","90","","90","","4195","3","110","2","110","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Dichlorotetrapyridinenickel(II) 0.76-hydrate","","- C20 H21.52 Cl2 N4 Ni O0.76 -","- C20 H21.52 Cl2 N4 Ni O0.76 -","- C160 H172.16 Cl16 N32 Ni8 O6.08 -","8","0.25","LH6331","Zhang, Hui; Fang, Liang","Dichlorotetrapyridinenickel(II) 0.76-hydrate","Acta Crystallographica Section E","2005","61","1","m180","m182","10.1107/S1600536804033586","","","0.71073","MoKα","","0.0383","0.022","","","0.047","0.0485","","","","","","0.831","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204924","8.6851","0.0011","10.6167","0.0009","12.433","0.0012","106.724","0.008","101.049","0.01","107.406","0.008","998.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-tert-Butyl-1-(4-chlorophenyl)-7,7-dimethyl-5,6,7,8- tetrahydroimidazo[3,4-b]quinolin-5-one","","- C22 H24 Cl N3 O -","- C22 H24 Cl N3 O -","- C44 H48 Cl2 N6 O2 -","2","1","LH6332","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","3-<i>tert</i>-Butyl-1-(4-chlorophenyl)-7,7-dimethyl-5,6,7,8-tetrahydropyrazolo[3,4-<i>b</i>]quinolin-5-one: centrosymmetric dimers generated by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section E","2005","61","1","o49","o51","10.1107/S1600536804031927","","","0.71073","MoKα","","0.2329","0.0528","","","0.0979","0.1218","","","","","","0.93","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204925","20.829","0.002","8.428","0.001","6.8415","0.0008","90","","108.402","0.002","90","","1139.6","0.2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Melaminium(2+) di(hydrogen oxalate)","","- C7 H10 N6 O8 -","- C7 H10 N6 O8 -","- C28 H40 N24 O32 -","4","0.5","LH6334","Zhang, Xiu-Lian; Chen, Xiao-Ming; Ng, Seik Weng","Melaminium bis(hydrogen oxalate)","Acta Crystallographica Section E","2005","61","1","o156","o157","10.1107/S1600536804033239","","","0.71073","MoKα","","0.049","0.041","","","0.11","0.116","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204926","7.0522","0.0005","9.9537","0.0008","9.9895","0.0007","83.607","0.006","80.386","0.006","89.477","0.006","687.04","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-[2-(5-Nitrobenzimidazol-1-yl)ethyl]morpholinium chloride","","- C13 H17 Cl N4 O3 -","- C13 H17 Cl N4 O3 -","- C26 H34 Cl2 N8 O6 -","2","1","LH6336","Mehmet Akkurt; Sevim Türktekin; Hasan Küçükbay; Ülkü Yılmaz; Orhan Büyükgüngör","1-[2-(5-Nitro-1<i>H</i>-benzimidazol-1-yl)ethyl]morpholinium chloride","Acta Crystallographica Section E","2005","61","1","o166","o168","10.1107/S1600536804033240","","","0.71073","MoKα","","0.0304","0.0269","","","0.0678","0.0693","","","","","","1.056","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204927","15.405","0.003","8.886","0.0018","11.105","0.002","90","","100.75","0.03","90","","1493.5","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Bis(methylenedithio)tetrathiafulvalene dichloride","4,5:4',5'-Bis(methylenedithio)tetrathiafulvalenium dichloride","","- C8 H4 Cl2 S8 -","- C8 H4 Cl2 S8 -","- C32 H16 Cl8 S32 -","4","0.5","NC6006","Xun-Wen Xiao; Wei Xu; Hai Xu; De-Qing Zhang; Dao-Ben Zhu","4,5:4',5'-Bis(methylenedithio)tetrathiafulvalenium dichloride","Acta Crystallographica Section E","2005","61","1","o111","o113","10.1107/S1600536804032350","","","0.71073","MoKα","","0.0978","0.0603","","","0.164","0.1766","","","","","","0.934","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204928","7.0561","0.0014","7.5531","0.0015","7.6261","0.0015","90","","117.36","0.03","90","","360.97","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[aquamanganese(II)-μ~3~-1H-imidazole-4,5-dicarboxylato]","","- C5 H4 Mn N2 O5 -","- C5 H4 Mn N2 O5 -","- C10 H8 Mn2 N4 O10 -","2","1","NC6009","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","Poly[aquamanganese(II)-μ~3~-1<i>H</i>-imidazole-4,5-dicarboxylato]","Acta Crystallographica Section E","2005","61","1","m155","m157","10.1107/S1600536804033306","","","0.71073","MoKα","","0.0241","0.0219","","","0.0479","0.0487","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204929","11.3447","0.001","13.4618","0.0011","29.91","0.003","90","","98.65","0.002","90","","4515.9","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[tris(di-2-pyridylamine)bis(μ-5-sulfonatosalicylato)tricopper(II)] trihydrate]","","- C44 H39 Cu3 N9 O15 S2 -","- C44 H35 Cu3 N9 O15 S2 -","- C176 H140 Cu12 N36 O60 S8 -","4","0.5","NC6010","Fan, Sai-Rong; Zhu, Long-Guan","Poly[[tris(di-2-pyridylamine)tris(μ-5-sulfonatosalicylato)tricopper(II)] trihydrate]","Acta Crystallographica Section E","2005","61","1","m174","m176","10.1107/S1600536804032908","","","0.71073","MoKα","","0.0563","0.0422","","","0.0975","0.1018","","","","","","0.956","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204930","7.0624","0.0011","10.3895","0.0016","12.7945","0.0019","91.557","0.012","91.519","0.012","104.011","0.012","910","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","diaquatetrakis(μ-1,2-benzenedicarboxylato)di-μ-nitrato-pentastrontium(II)","","- C32 H20 N2 O24 Sr5 -","- C32 H20 N2 O24 Sr5 -","- C32 H20 N2 O24 Sr5 -","1","0.5","NC6011","Stein, Irena; Ruschewitz, Uwe","Polymeric diaquatetrakis(μ-1,2-benzenedicarboxylato)di-μ-nitrato-pentastrontium(II)","Acta Crystallographica Section E","2005","61","1","m141","m143","10.1107/S1600536804032805","","","0.71073","MoKα","","0.0568","0.0338","","","0.0775","0.0912","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204931","4.0159","0.0003","23.6948","0.0014","12.7652","0.0011","90","","91.642","0.007","90","","1214.19","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(3,4-Methylenedioxyphenoxy)phthalonitrile","","- C15 H8 N2 O3 -","- C15 H8 N2 O3 -","- C60 H32 N8 O12 -","4","1","NC6012","Ocak Iskeleli, Nazan; Ag̃ar, Ayşen","4-(3,4-Methylenedioxyphenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","1","o158","o159","10.1107/S1600536804033094","","","0.71073","MoKα","","0.0549","0.0445","","","0.119","0.1272","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204932","10.0696","0.0017","9.4318","0.0016","10.1752","0.0019","90","","95.178","0.014","90","","962.4","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Pioglitazone hydrochloride","(±)-5-({4-[2-(5-ethyl-2-pyridinio)ethoxy]phenyl}methyl)thiazolidine-2,4-dione chloride","","- C19 H21 Cl N2 O3 S -","- C19 H21 Cl N2 O3 S -","- C38 H42 Cl2 N4 O6 S2 -","2","1","NC6013","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Nagaraja, Padmarajaiah; Bolte, Michael","Pioglitazone hydrochloride","Acta Crystallographica Section E","2005","61","1","o154","o155","10.1107/S1600536804033100","","","0.71073","MoKα","","0.0459","0.0348","","","0.0718","0.074","","","","","","0.828","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204933","8.0458","0.0009","10.5193","0.0011","15.7386","0.0017","98.073","0.009","90.542","0.009","103.744","0.008","1279.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Phthaloyl amlodipine","3-ethyl 5-methyl 4-(2-chlorophenyl)-2-(2-phthalmidoethoxymethyl)-6-methyl-1,4- dihydropyridine-3,5-dicarboxylate","","- C28 H27 Cl N2 O7 -","- C28 H27 Cl N2 O7 -","- C56 H54 Cl2 N4 O14 -","2","1","NC6014","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Bolte, Michael","Phthaloyl amlodipine","Acta Crystallographica Section E","2005","61","1","o174","o175","10.1107/S1600536804033471","","","0.71073","MoKα","","0.0485","0.0337","","","0.0831","0.0875","","","","","","0.952","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204934","21.0397","0.0019","11.6598","0.0012","8.6694","0.0008","90","","92.935","0.007","90","","2124","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-Amino-3-methyl-2,3-dihydro-1,3-benzothiazoliminium chloride monohydrate","","- C8 H12 Cl N3 O S -","- C8 H12 Cl N3 O S -","- C64 H96 Cl8 N24 O8 S8 -","8","1","NC6015","Yathirajan, Hemmige S.; Narasegowda, Rajenahally S.; Bolte, Michael","<i>N</i>-Amino-3-methyl-2,3-dihydro-1,3-benzothiazoliminium chloride monohydrate","Acta Crystallographica Section E","2005","61","1","o176","o178","10.1107/S1600536804033483","","","0.71073","MoKα","","0.0272","0.0232","","","0.0631","0.064","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204935","12.7882","0.001","6.9977","0.0005","21.3137","0.0017","90","","105.994","0.001","90","","1833.5","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua{2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}(thiocyanato)cobalt(III)","","- C18 H18 Co N3 O3 S -","- C18 H18 Co N3 O3 S -","- C72 H72 Co4 N12 O12 S4 -","4","1","NG6068","Sun, Yu-Xi","Aqua(isothiocyanato){2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}cobalt(III)","Acta Crystallographica Section E","2005","61","1","m39","m40","10.1107/S1600536804031307","","","0.71073","MoKα","","0.0757","0.0581","","","0.1493","0.1606","","","","","","1.066","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204936","9.5529","0.0011","12.6089","0.0014","13.7463","0.0016","90","","95.238","0.002","90","","1648.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(2,2'-bipyridine)copper(II)]-μ-5-nitroisophthalato]","","- C18 H11 Cu N3 O6 -","- C18 H11 Cu N3 O6 -","- C72 H44 Cu4 N12 O24 -","4","1","NG6073","Hong-Ping Xiao; Xin-Hua Li; Ya-Qian Cheng","<i>catena</i>-Poly[[(2,2'-bipyridine)copper(II)]-μ-5-nitroisophthalato]","Acta Crystallographica Section E","2005","61","1","m158","m159","10.1107/S1600536804032970","","","0.71073","MoKα","","0.0465","0.0397","","","0.0931","0.0966","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204937","6.9025","0.0014","16.504","0.003","16.77","0.003","90","","90","","90","","1910.4","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(Benzotriazol-1-yl)-2-(α-hydroxybenzyl)-N-phenylthioacrylamide","","- C21 H16 Cd N2 O6 -","- C21 H16 Cd N2 O6 -","- C84 H64 Cd4 N8 O24 -","4","1","NG6078","Gao, Shan; Huo, Li-Hua; Gu, Chang-Sheng; Zhao, Jing-Gui","<i>catena</i>-Poly[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-4-carboxylatophenoxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section E","2005","61","1","m198","m200","10.1107/S160053680403377X","","","0.71073","MoKα","","0.0577","0.0395","","","0.0586","0.0619","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204938","21.399","0.008","7.504","0.005","24.891","0.016","90","","120.15","0.04","90","","3456","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-κ^2^N,N')(3-oxidonaphthalene-2-carboxylato- κ^2^O:O')palladium(II) hemihydrate","","- C21 H15 N2 O3.5 Pd -","- C21 H15 N2 O3.5 Pd -","- C168 H120 N16 O28 Pd8 -","8","2","OB6443","Yue Wang; Nobuo Okabe","(2,2'-Bipyridine-κ^2^<i>N,N</i>')(3-oxidonaphthalene-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')palladium(II) hemihydrate","Acta Crystallographica Section E","2005","61","1","m3","m5","10.1107/S1600536804030983","","","0.71073","MoKα","","0.0997","0.0312","","","0.0402","0.0442","","","","","","0.658","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204939","9.53","0.005","9.561","0.006","11.609","0.005","108.472","0.005","93.918","0.006","92.673","0.005","998.3","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[silver(I)-μ-propane-1,3-diamine-κ^2^N:N'] bis(4-nitrobenzoato-κO)silver(I)]","","- C17 H18 Ag2 N4 O8 -","- C17 H18 Ag2 N4 O8 -","- C34 H36 Ag4 N8 O16 -","2","1","OB6444","You, Zhong-Lu; Wang, Zuo-Mao; Zou, Ying; Zhu, Hai-Liang","<i>catena</i>-Poly[[silver(I)-μ-propane-1,3-diamine-κ^2^<i>N</i>:<i>N</i>'] bis(4-nitrobenzoato-κ<i>O</i>)argentate(I)]","Acta Crystallographica Section E","2005","61","1","m6","m8","10.1107/S1600536804031071","","","0.71073","MoKα","","0.0502","0.0436","","","0.1078","0.1182","","","","","","1.067","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204940","9.7879","0.0008","7.9071","0.0005","13.8045","0.001","90","","102.266","0.006","90","","1043.99","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Ethyl-5-(2-hydroxyphenyl)-2H-1,2,4-triazole-3(4H)-thione","","- C10 H11 N3 O S -","- C10 H11 N3 O S -","- C40 H44 N12 O4 S4 -","4","1","OB6445","Dege, Necmi; Özdemir, Namık; Çetin, Ahmet; Cansız, Ahmet; Şekerci, Memet; Dinçer, Muharrem","4-Ethyl-5-(2-hydroxyphenyl)-2<i>H</i>-1,2,4-triazole-3(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","1","o17","o19","10.1107/S1600536804031137","","","0.71073","MoKα","","0.0361","0.0305","","","0.0836","0.0863","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204941","11.229","0.001","9.207","0.001","19.086","0.001","90","","125.4","0.01","90","","1608.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(3-Methylphenyl)-3,5-di-2-pyridyl-4H-1,2,4-triazole","","- C19 H15 N5 -","- C19 H15 N5 -","- C76 H60 N20 -","4","1","OB6446","Zhang, Shu-Ping; You, Zhong-Lu; Shao, Si-Chang; Zhu, Hai-Liang","4-(3-Methylphenyl)-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2005","61","1","o27","o28","10.1107/S1600536804031319","","","0.71073","MoKα","","0.1261","0.0644","","","0.1128","0.1357","","","","","","1.01","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204942","11.704","0.001","19.935","0.002","8.181","0.001","90","","107.58","0.002","90","","1819.6","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(4-Isopropylphenyl)-3,5-di-2-pyridyl-4H-1,2,4-triazole","","- C21 H19 N5 -","- C21 H19 N5 -","- C84 H76 N20 -","4","1","OB6447","Zhang, Shu-Ping; You, Zhong-Lu; Shao, Si-Chang; Zhu, Hai-Liang","4-(4-Isopropylphenyl)-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2005","61","1","o8","o9","10.1107/S1600536804031101","","","0.71073","MoKα","","0.0803","0.05","","","0.1114","0.1263","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204943","8.294","0.0017","12.654","0.003","23.601","0.005","90","","97.02","0.03","90","","2458.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 3-(dimethylamino)-2-[2-(1-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}- 2-(dimethylamino)vinyloxy)phenyl]acrylate","","- C25 H28 N4 O4 S -","- C25 H28 N4 O4 S -","- C100 H112 N16 O16 S4 -","4","1","OB6448","Wang, Hai-Bo; Chen, Jia-Hui; Pu, Yue-Qing; Wang, Jin-Tang","Methyl 3-(dimethylamino)-2-[2-(1-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-2-(dimethylamino)vinyloxy)phenyl]acrylate","Acta Crystallographica Section E","2005","61","1","o58","o59","10.1107/S1600536804031897","","","0.71073","MoKα","","0.1474","0.0582","","","0.1653","0.2111","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204944","12.355","0.001","21.912","0.002","8.972","0.001","90","","95.58","0.01","90","","2417.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(6,6'-dimethyl-2,2'-bipyridine)copper(I) perchlorate","","- C24 H24 Cl Cu N4 O4 -","- C24 H24 Cl Cu N4 O4 -","- C96 H96 Cl4 Cu4 N16 O16 -","4","1","OB6449","Cui, Guang-Hua; Li, Jian-Rong; Gao, Di; Ng, Seik Weng","Bis(6,6'-dimethyl-2,2'-bipyridine)copper(I) perchlorate","Acta Crystallographica Section E","2005","61","1","m72","m73","10.1107/S1600536804031939","","","0.71073","MoKα","","0.088","0.049","","","0.126","0.151","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204945","9.058","0.001","12.931","0.001","17.879","0.001","85.011","0.001","80.643","0.001","84.314","0.001","2050.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diaquatris(nicotinato-κO)bis(1,10-phenanthroline-κ^2^N,N')cerium(III) trihydrate","","- C42 H38 Ce N7 O11 -","- C42 H38 Ce N7 O11 -","- C84 H76 Ce2 N14 O22 -","2","1","OB6450","Liu, Fu-Chen; Li, Jian-Rong; Ng, Seik Weng","Diaquatris(nicotinato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N,N</i>')cerium(III) trihydrate","Acta Crystallographica Section E","2005","61","1","m9","m10","10.1107/S1600536804031125","","","0.71073","MoKα","","0.05","0.034","","","0.066","0.077","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204946","11.304","0.003","9.485","0.003","17.835","0.005","90","","97.434","0.002","90","","1896.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[2-(4-pyridinio)-1H-benzimidazolium] hexacosaoxooctamolybdenum(VI)","","- C24 H22 Mo8 N6 O26 -","- C24 H22 Mo8 N6 O26 -","- C48 H44 Mo16 N12 O52 -","2","0.5","OB6451","Li-Juan Chen; Chang-Kun Xia; Quan-Zheng Zhang; Can-Zhong Lu","Bis[2-(4-pyridinio)-1<i>H</i>-benzimidazolium] hexacosaoxooctamolybdate(VI)","Acta Crystallographica Section E","2005","61","1","m92","m94","10.1107/S1600536804032027","","","0.71073","MoKα","","0.0502","0.0427","","","0.1073","0.1136","","","","","","1.085","","","","has coordinates,has Fobs","201211","2020-10-21","18:00:00",""
"2204947","10.277","0.001","6.9852","0.0005","25.695","0.003","90","","92.512","0.009","90","","1842.8","0.3","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-1-(3,4-methylenedioxyphenyl)-9-methoxy-5,6-dihydro-1H- benzo[f]chromene-2-carbonitrile","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","OB6452","Chen-Xia Yu; Da-Qing Shi; Xiang-Shan Wang; Qi-Ya Zhuang","3-Amino-1-(3,4-methylenedioxyphenyl)-9-methoxy-5,6-dihydro-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","Acta Crystallographica Section E","2005","61","1","o84","o86","10.1107/S1600536804032039","","","0.71073","MoKα","","0.0637","0.0354","","","0.0759","0.0824","","","","","","0.861","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204948","7.5757","0.0005","12.7812","0.0004","12.9142","0.0008","62.186","0.005","89.802","0.008","74.08","0.006","1052.09","0.12","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Methyl 2-amino-4-(4-chlorophenyl)-4H-pyrano[3,2-c]coumarin-3-carboxylate N,N-dimethylformamide solvate","methyl 2-amino-4-(4-chlorophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate N,N-dimethylformamide solvate","","- C23 H21 Cl N2 O6 -","- C23 H21 Cl N2 O6 -","- C46 H42 Cl2 N4 O12 -","2","1","OB6453","Daqing Shi; Nan Wu; Qiya Zhuang; Yong Zhang","Methyl 2-amino-4-(4-chlorophenyl)-4<i>H</i>-pyrano[3,2-<i>c</i>]coumarin-3-carboxylate <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2005","61","1","o87","o89","10.1107/S1600536804032040","","","0.7107","MoKα","","0.0419","0.0381","","","0.0987","0.102","","","","","","1.055","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204949","9.525","0.003","5.992","0.003","14.817","0.002","90","","94.77","0.02","90","","842.7","0.5","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[1-(hydroxyethylamino)propyl]phosphonic acid","[1-(hydroxyethylammonio)propyl]phosphonate","","- C5 H14 N O4 P -","- C5 H14 N O4 P -","- C20 H56 N4 O16 P4 -","4","1","OB6454","Shivachev, Boris; Petrova, Rosica; Kossev, Krassimir; Troev, Kolio","[1-(Hydroxyethylammonio)propyl]phosphonate","Acta Crystallographica Section E","2005","61","1","o134","o136","10.1107/S1600536804032623","","","0.71073","MoKα","","0.0622","0.0421","","","0.108","0.1232","","","","","","0.877","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204950","10.9","0.002","12.197","0.002","14.772","0.003","91.86","0.01","91.53","0.02","92.28","0.01","1960.5","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(2,2'-bipyridine-κN,N'){[5-(carboxymethylsulfanyl)-1,3,4-thiadiazol-2- ylsulfanyl]acetato-κO}copper(II) 5-(carboxymethylsulfanyl)-1,3,4-thiadiazol-2-ylsulfanylacetate dihydrate","","- C32 H30 Cu N8 O10 S6 -","- C32 H30 Cu N8 O10 S6 -","- C64 H60 Cu2 N16 O20 S12 -","2","1","OB6456","Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","Bis(2,2'-bipyridine-κ<i>N</i>,<i>N</i>'){[5-(carboxymethylsulfanyl)-1,3,4-thiadiazol-2-ylsulfanyl]acetato-κ<i>O</i>}copper(II) [5-(carboxymethylsulfanyl)-1,3,4-thiadiazol-2-ylsulfanyl]acetate dihydrate","Acta Crystallographica Section E","2005","61","1","m126","m128","10.1107/S1600536804032647","","","0.71073","MoKα","","0.077","0.052","","","0.141","0.156","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204951","11.2374","0.0008","11.2374","0.0008","24.648","0.003","90","","90","","120","","2695.5","0.4","293","2","123","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","tris(ethylenediamine-κ^2^N,N')cobalt(III) chloride diiodide monohydrate","","- C6 H26 Cl Co I2 N6 O -","- C6 H26 Cl Co I2 N6 O -","- C36 H156 Cl6 Co6 I12 N36 O6 -","6","0.5","RZ6010","Zhang, Zhang-Jing; Zheng, Fa-Kun; Fu, Ming-Lai; Guo, Guo-Cong; Huang, Jin-Shun","A new cobalt(III) ethylenediamine complex with mixed halide counter-anions, [Co(en)~3~](Cl)(I)~2~·H~2~O","Acta Crystallographica Section E","2005","61","1","m89","m91","10.1107/S1600536804030272","","","0.71073","MoKα","","0.0906","0.0529","","","0.0826","0.0968","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204952","14.951","0.002","9.1564","0.0015","12.815","0.002","90","","90","","90","","1754.3","0.5","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(pyridinium) tetrabromocadmate(II) monohydrate","","- C10 H14 Br4 Cd N2 O -","- C10 H14 Br4 Cd N2 O -","- C40 H56 Br16 Cd4 N8 O4 -","4","0.5","RZ6012","Zhang, Hui; Fang, Liang","Bis(pyridinium) tetrabromocadmate(II) monohydrate","Acta Crystallographica Section E","2005","61","1","m101","m102","10.1107/S1600536804029897","","","0.71073","MoKα","","0.0461","0.0296","","","0.0698","0.0767","","","","","","1.102","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204953","6.1539","0.001","10.7908","0.0017","34.057","0.006","90","","94.504","0.014","90","","2254.6","0.6","298","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)-3-phenyl-2,4,8,10-tetraazaspiro[5.4]dec-1-ene-6,8,10-trione acetone solvate monohydrate","","- C22 H24 N4 O6 -","- C22 H24 N4 O6 -","- C88 H96 N16 O24 -","4","1","RZ6024","Bruno, Giuseppe; Rotondo, Archimede; Nicoló, Francesco; Foti, Francesco; Grassi, Giovanni; Risitano, Francesco","4-(4-Methoxyphenyl)-3-phenyl-2,4,8,10-tetraazaspiro[5.4]dec-1-ene-6,8,10-trione acetone solvate monohydrate","Acta Crystallographica Section E","2005","61","1","o139","o141","10.1107/S1600536804032817","","","0.71073","MoKα","","","0.0553","","","","0.17","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204954","12.027","0.004","13.38","0.005","13.416","0.003","71.32","0.03","86.159","0.013","87.84","0.03","2040.3","1.2","571","2","","","","","","","","","","5","P -1","-P 1","2","","3-Bromo-1,4-diphenyl-1,2,7,9-tetraazaspiro[5.4]dec-2-ene-6,8,10-trione acetone solvate","","- C20 H19 Br N4 O4 -","- C20 H19 Br N4 O4 -","- C80 H76 Br4 N16 O16 -","4","2","RZ6025","Bruno, Giuseppe; Rotondo, Archimede; Nicoló, Francesco; Foti, Francesco; Grassi, Giovanni; Risitano, Francesco","3-Bromo-1,4-diphenyl-1,2,7,9-tetraazaspiro[5.4]dec-2-ene-6,8,10-trione acetone solvate","Acta Crystallographica Section E","2005","61","1","o142","o144","10.1107/S1600536804032829","","","0.71073","MoKα","","","0.056","","","","0.1413","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204955","18.092","0.005","9.471","0.002","8.464","0.002","90","","100.127","0.008","90","","1427.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Chlorobenzoyl)methyl morpholine-4-carbodithionate","","- C13 H14 Cl N O2 S2 -","- C13 H14 Cl N O2 S2 -","- C52 H56 Cl4 N4 O8 S8 -","4","1","RZ6026","Liang-Zhong Xu; Wei-Hua Li; Hai-Bin Song; Kai Li; Guan-ping Yu","(4-Chlorobenzoyl)methyl morpholine-4-carbodithionate","Acta Crystallographica Section E","2005","61","1","o130","o131","10.1107/S1600536804032593","","","0.71073","MoKα","","0.0566","0.0348","","","0.0783","0.0882","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204956","33.745","0.005","6.3132","0.0011","18.793","0.004","90","","119.572","0.01","90","","3482.1","1.1","293","2","130.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Re C15 H11 N3 Cl O7","(Acetonitrile)(2,2'-bipyridine)tricarbonylrhenium(I) perchlorate","","- C15 H11 Cl N3 O7 Re -","- C15 H11 Cl N3 O7 Re -","- C120 H88 Cl8 N24 O56 Re8 -","8","1","RZ6027","Chen, Yan-Dan; Zhang, Li-Yi; Chen, Zhong-Ning","(Acetonitrile)(2,2'-bipyridine)tricarbonylrhenium(I) perchlorate","Acta Crystallographica Section E","2005","61","1","m121","m122","10.1107/S1600536804032246","","","0.71073","MoKα","","0.0253","0.0238","","","0.0606","0.0614","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204957","25.826","0.002","6.8065","0.0006","17.2924","0.0016","90","","102.49","0.002","90","","2967.8","0.4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","7-chloro-8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline","","- C17 H15 Cl F N O -","- C17 H15 Cl F N O -","- C136 H120 Cl8 F8 N8 O8 -","8","1","RZ6028","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","A diastereoisomer of furo[3,2-<i>c</i>]quinoline","Acta Crystallographica Section E","2005","61","1","o102","o104","10.1107/S1600536804032283","","","0.71073","MoKα","","0.0836","0.0658","","","0.1458","0.1545","","","","","","1.156","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204958","6.5573","0.001","9.5294","0.0014","9.8799","0.0015","62.979","0.002","79.162","0.002","78.385","0.001","535.4","0.14","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","Poly[[diaqua(μ~6~-1,3,5-benzenetricarboxylato)tricadmium(II)] dihydrate]","","- C18 H14 Cd3 O16 -","- C18 H14 Cd3 O16 -","- C18 H14 Cd3 O16 -","1","0.5","RZ6029","You-Fu Zhou; Ben-Lai Wu; Lei Han; Mao-Chun Hong","Poly[[diaqua(μ~6~-1,3,5-benzenetricarboxylato)tricadmium(II)] dihydrate]","Acta Crystallographica Section E","2005","61","1","m160","m163","10.1107/S1600536804033136","","","0.71073","MoKα","","","0.0482","","","0.1026","0.1164","","","","","","1.092","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204959","7.5168","0.0006","15.124","0.001","13.1804","0.001","90","","94.61","0.004","90","","1493.55","0.19","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bromobis(2,3-lutidine)copper(I)","","- C14 H18 Br Cu N2 -","- C14 H18 Br Cu N2 -","- C56 H72 Br4 Cu4 N8 -","4","1","RZ6030","Jones, Peter G.; Zerbe, Eva-Maria","Bromobis(2,3-lutidine)copper(I)","Acta Crystallographica Section E","2005","61","1","m106","m107","10.1107/S1600536804032416","","","0.71073","MoKα","","0.0372","0.0249","","","0.0564","0.0617","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204960","14.1068","0.0009","9.5526","0.0006","21.1298","0.0013","90","","90","","90","","2847.4","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C136 H128 Cl8 N8 O8 -","8","1","RZ6035","Ravikumar, K.; Sridhar, B.; Mahesh, M.; Narayana Reddy, V. V.","A diastereoisomer of furo[3,2-<i>c</i>]quinoline","Acta Crystallographica Section E","2005","61","1","o195","o197","10.1107/S1600536804033550","","","0.71073","MoKα","","0.0629","0.0564","","","0.1456","0.1503","","","","","","1.136","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204961","11.3309","0.0013","12.2714","0.0014","15.0877","0.0015","90","","98.281","0.008","90","","2076","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2,2'-bipyridine)nitratocopper(II) nitrate","","- C20 H16 Cu N6 O6 -","- C20 H16 Cu N6 O6 -","- C80 H64 Cu4 N24 O24 -","4","1","SJ6001","Marjani, Katayoun; Davies, Sian C.; Durrant, Marcus C.; Hughes, David L.; Khodamorad, Nejat; Samodi, Assadolah","Bis(2,2'-bipyridine)nitratocopper(II) nitrate","Acta Crystallographica Section E","2005","61","1","m11","m14","10.1107/S1600536804030788","","","0.71069","Mo-Kα","","0.1264","0.0486","","","0.0667","0.0924","","","","","","0.969","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204962","11.6288","0.0009","14.0386","0.0011","13.7457","0.001","90","","98.349","0.001","90","","2220.2","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aS,10R,10aS,10bS,13R,13aR)-8-formyl-6-hydroxy-13-methoxy-1,1,7-trimethyl- 5-oxo-1,2,3,3a,5,9,10,10a,13,13a-decahydrocyclohepta[c]furo[3,4-e]chromen-10-yl acetate","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","2","SJ6021","Shi, Hao","(3a<i>S</i>*,10<i>R</i>*,10a<i>S</i>*,10b<i>S</i>*,13<i>R</i>*,13a<i>R</i>*)-8-Formyl-6-hydroxy-13-methoxy-1,1,7-trimethyl-5-oxo-1,2,3,3a,5,9,10,10a,13,13a-decahydrocyclohepta[<i>c</i>]furo[3,4-<i>e</i>]chromen-10-yl acetate","Acta Crystallographica Section E","2005","61","1","o12","o14","10.1107/S1600536804031046","","","0.71073","MoKα","","0.0573","0.0477","","","0.1128","0.1188","","","","","","0.836","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204963","15.5339","0.0013","11.1141","0.0007","15.7665","0.0015","90","","114.061","0.007","90","","2485.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Bis(5-isopropyl-2-methylphenoxy)phthalonitrile","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C112 H104 N8 O8 -","4","1","SJ6023","Ocak, Nazan; Yavuz, Metin; Işık, Şamil; Akdemir, Nesuhi; Aǧar, Erbil; Özil, Musa","4,5-Bis(5-isopropyl-2-methylphenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","1","o37","o39","10.1107/S1600536804031289","","","0.71073","MoKα","","0.0916","0.0525","","","0.1458","0.167","","","","","","0.942","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204964","10.4","0.007","9.117","0.006","32.09","0.02","90","","90","","90","","3043","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","isoprothiolane","diisopropyl (1,3-dithiolan-2-ylidene)malonate","","- C12 H18 O4 S2 -","- C12 H18 O4 S2 -","- C96 H144 O32 S16 -","8","1","SJ6026","Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.","Diisopropyl (1,3-dithiolan-2-ylidene)malonate","Acta Crystallographica Section E","2005","61","1","o3","o5","10.1107/S1600536804030934","","","0.71073","MoKα","","0.1248","0.09","","","0.1882","0.2052","","","","","","1.224","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204965","6.993","0.004","7.543","0.004","11.058","0.006","83.53","0.009","85.171","0.009","79.017","0.009","567.8","0.5","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","1-(1,8-Dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone","","- C14 H14 O4 -","- C14 H14 O4 -","- C28 H28 O8 -","2","1","SJ6028","Ismail, Nor Hadiani; Alyahya, S. A. Illah.; Shaari, Khozirah; Yamin, Bohari M.","1-(1,8-Dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone","Acta Crystallographica Section E","2005","61","1","o67","o68","10.1107/S1600536804030181","","","0.71073","MoKα","","0.101","0.066","","","0.135","0.148","","","","","","1.14","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204966","6.9541","0.0012","11.465","0.002","12.059","0.002","90","","113.547","0.003","90","","881.4","0.3","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","[Fe(bpy)(H~2~O)~4~](bdc)","catena-poly[[[tetraaquairon(II)]-μ-4,4'-bipyridine] benzene-1,4-dicarboxylate]","","- C18 H20 Fe N2 O8 -","- C18 H20 Fe N2 O8 -","- C36 H40 Fe2 N4 O16 -","2","0.5","SJ6033","Halder, Gregory J.; Kepert, Cameron J.","A three-dimensional hydrogen-bonded coordination framework: <i>catena</i>-poly[[[tetraaquairon(II)]-μ-4,4'-bipyridine] benzene-1,4-dicarboxylate]","Acta Crystallographica Section E","2005","61","1","m113","m114","10.1107/S1600536804032192","","","0.71073","MoKα","","0.024","0.0231","","","0.0638","0.0645","","","","","","1.134","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204967","12.998","0.006","15.198","0.006","8.543","0.004","90","","102.85","0.008","90","","1645.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl 3-oxospiro[indan-1,4'-piperidine]-1'-carboxylate","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","SJ6034","Zheng, Pengwu; Li, Chunbao; Wang, Wei; Zhao, Bing","<i>tert</i>-Butyl 3-oxospiro[indan-1,4'-piperidine]-1'-carboxylate","Acta Crystallographica Section E","2005","61","1","o10","o11","10.1107/S1600536804031058","","","0.71073","MoKα","","0.1148","0.0495","","","0.1108","0.1497","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204968","6.048","0.0001","10.1735","0.0003","15.5791","0.0004","90","","90","","90","","958.57","0.04","190","","190","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,5S)-2-Trichloromethyl-3-oxa-1-azabicyclo[3,3,0]octane-4,8-dione","","- C7 H6 Cl3 N O3 -","- C7 H6 Cl3 N O3 -","- C28 H24 Cl12 N4 O12 -","4","1","SJ6035","Punzo, Francesco; Watkin, David J.; Pike, Richard; Moloney, Mark; Panchal, Terry","(2<i>R</i>,5<i>S</i>)-2-Trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octane-4,8-dione","Acta Crystallographica Section E","2005","61","1","o42","o44","10.1107/S1600536804031605","","","0.71073","MoKα","","0.0297","0.0269","","0.0637","0.0618","0.0637","","","","","","0.9547","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204969","11.035","0.004","14.368","0.006","14.637","0.006","114.257","0.002","101.688","0.002","103.272","0.003","1940.6","1.3","130.15","","130.15","","","","","","","","","6","P -1","-P 1","2","","Bis[2-(4,6-diphenyl-2-pyridyl)pyridine-κ^2^N,N]copper(I) perchlorate dichloromethane solvate","","- C45 H34 Cl3 Cu N4 O4 -","- C45 H34 Cl3 Cu N4 O4 -","- C90 H68 Cl6 Cu2 N8 O8 -","2","1","SJ6036","Wei, Qiao-Hua; Yin, Gang-Qiang; Chen, Zhong-Ning","Bis[2-(4,6-diphenyl-2-pyridyl)pyridine-κ^2^<i>N</i>,<i>N</i>]copper(I) perchlorate dichloromethane solvate","Acta Crystallographica Section E","2005","61","1","m117","m118","10.1107/S1600536804032064","","","0.7107","MoKα","","0.0821","0.0554","","","0.1022","0.1156","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2204970","3.8144","0.0005","12.175","0.002","18.806","0.003","90","","90","","90","","873.4","0.2","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","naphthalene-2,3-dicarbonitrile","","- C12 H6 N2 -","- C12 H6 N2 -","- C48 H24 N8 -","4","1","SJ6037","Tamil Selvi Pitchumony; Helen Stoeckli-Evans","An orthorhombic polymorph of naphthalene-2,3-dicarbonitrile","Acta Crystallographica Section E","2005","61","1","o40","o41","10.1107/S1600536804031757","","","0.71073","MoKα","","0.0435","0.0373","","","0.0991","0.1048","","","","","","0.869","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204971","12.561","0.003","12.949","0.003","6.855","0.001","90","","98.68","0.03","90","","1102.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquamanganese(II) bis[(4-oxo-4H-pyridin-1-yl)acetate] dihydrate","","- C14 H28 Mn N2 O14 -","- C14 H28 Mn N2 O14 -","- C28 H56 Mn2 N4 O28 -","2","0.5","SJ6038","Zhu-Yan Zhang; Shan Gao; Li-Hua Huo; Hui Zhao; Jing-Gui Zhao","Hexaaquamanganese(II) bis[(4-oxo-4<i>H</i>-pyridin-1-yl)acetate] dihydrate","Acta Crystallographica Section E","2005","61","1","m85","m86","10.1107/S1600536804032076","","","0.71073","MoKα","","0.036","0.032","","","0.083","0.085","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204972","12.727","0.003","7.231","0.001","14.947","0.003","90","","108.79","0.03","90","","1302.2","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","catena-Poly[[strontium(II)-di-μ-aqua-di-μ-9-hydroxy-fluorene-9-carboxylato] monohydrate]","","- C28 H24 O9 Sr -","- C28 H24 O9 Sr -","- C56 H48 O18 Sr2 -","2","1","SJ6041","Gao, Shan; Huo, Li Hua; Zhao, Hui; Ng, Seik Weng","<i>catena</i>-Poly[[strontium(II)-di-μ-aqua-di-μ-9-hydroxyfluorene-9-carboxylato] monohydrate]","Acta Crystallographica Section E","2005","61","1","m129","m131","10.1107/S1600536804032799","","","0.71073","MoKα","","0.061","0.047","","","0.109","0.115","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204973","8.4681","0.0007","8.9652","0.0008","14.3497","0.0012","75.198","0.002","87.918","0.001","65.395","0.001","954.57","0.14","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(dimethylsulfonyl)amino]- 1H-pyrazole-3-carbonitrile","","- C13 H9 Cl2 F3 N4 O4 S2 -","- C13 H9 Cl2 F3 N4 O4 S2 -","- C26 H18 Cl4 F6 N8 O8 S4 -","2","1","SU6147","Yang, Zhi-Ping; Zhong, Ping; Hu, Mao-Lin; Li, Shu-Yan; Tang, Ri-Yuan","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(dimethylsulfonyl)amino]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","1","o116","o117","10.1107/S1600536804032428","","","0.71073","MoKα","","0.0538","0.049","","","0.1314","0.1355","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204974","34.57","0.02","14.686","0.007","11.74","0.004","90","","108.67","0.04","90","","5647","5","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[1-(diphenylphosphino)-4-(diphenylphosphinoyl)butane-κP^1^]idodgold(I) monohydrate","","- C28 H30 Au I O2 P2 -","- C28 H30 Au I O2 P2 -","- C224 H240 Au8 I8 O16 P16 -","8","1","TK6200","Michael L. Williams; Deborah L. Slade; Sue E. Boyd; Peter C. Healy","Aurophilic and hydrogen-bonding interactions in [1-(diphenylphosphino)-4-(diphenylphosphinoyl)butane-κ<i>P</i>^1^]iodogold(I) monohydrate","Acta Crystallographica Section E","2005","61","1","m30","m32","10.1107/S160053680403137X","","","0.7107","MoKα","","0.0596","0.0329","","","0.0803","0.0899","","","","","","1.028","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204975","16.597","0.003","22.522","0.003","9.871","0.002","90","","90","","90","","3689.8","1.1","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H44 N6 O8 S2 -","- C32 H44 N6 O8 S2 -","- C128 H176 N24 O32 S8 -","4","1","TK6202","Ohba, Shigeru; Miyamoto, Hisakazu; Fujioka, Atsushi; Ikeuchi, Takahiro; Jean-Marie Lehn","<i>N,N</i>'-Bis(6-<i>tert</i>-butoxycarbonylamino-2-pyridyl)terephthalamide dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2005","61","1","o182","o184","10.1107/S1600536804033367","","","0.7107","MoKα","","","0.061","","","","0.207","","","","","","0.95","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204976","13.0201","0.0014","7.793","0.0005","17.3305","0.0019","90","","94.373","0.009","90","","1753.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide ethyl methyl ketone hemisolvate","","- C18 H18 N2 O3.5 S -","- C18 H18 N2 O3.5 S -","- C72 H72 N8 O14 S4 -","4","1","TK6204","Yathirajan, Hemmige S.; Narasegowda, Rajenahally S.; Nagarajab, Padmarajaiah; Bolte, Michael","A pseudopolymorph of valdecoxib","Acta Crystallographica Section E","2005","61","1","o179","o181","10.1107/S1600536804033598","","","0.71073","MoKα","","0.053","0.044","","","0.126","0.131","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204977","5.4656","0.0002","5.888","0.0002","7.8714","0.0003","90","","91.097","0.001","90","","253.267","0.016","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","disamarium sodium iridium hexaoxide","","- Ir Na O6 Sm2 -","- Ir Na O6 Sm2 -","- Ir2 Na2 O12 Sm4 -","2","0.5","WM6042","Mugavero III, Samuel J.; Puzdrjakova, Irina V.; Smith, Mark D.; zur Loye, Hans-Conrad","Sm~2~NaIrO~6~, a monoclinically distorted double perovskite","Acta Crystallographica Section E","2005","61","1","i3","i5","10.1107/S1600536804031836","","","0.71073","MoKα","","0.029","0.0262","","","0.0509","0.0519","","","","","","1.129","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204978","8.601","0.0017","9.5176","0.0019","6.7287","0.0013","90","","98.17","0.03","90","","545.23","0.19","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","Caesium vanadium diphosphorus heptasulfide","","- Cs P2 S7 V -","- Cs P2 S7 V -","- Cs2 P4 S14 V2 -","2","0.5","WM6043","Gutzmann, Andreas; Näther, Christian; Bensch, Wolfgang","CsVP~2~S~7~","Acta Crystallographica Section E","2005","61","1","i6","i8","10.1107/S1600536804031150","","","0.71073","MoKα","","0.0753","0.0456","","","0.0946","0.1001","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204979","4.366","0.0005","4.366","0.0005","9.9726","0.001","90","","90","","90","","190.1","0.04","295","2","295","2","","","","","","","","3","I 4 m m","I 4 -2","107","lanthanum iron trigermanide","lanthanum iron trigermanide","","- Fe Ge3 La -","- Fe Ge3 La -","- Fe2 Ge6 La2 -","2","0.125","WM6044","Tkachuk, Andriy V.; Mar, Arthur","Lanthanum iron trigermanide, LaFeGe~3~","Acta Crystallographica Section E","2005","61","1","i1","i2","10.1107/S1600536804031253","","","0.71073","MoKα","","0.0313","0.0307","","","0.0749","0.0752","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204980","9.08","0.006","22.782","0.015","10.055","0.007","90","","109.476","0.01","90","","1961","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-{[2-(But-2-enyl)-4-chloro-5-formyl-1H-imidazol-1-yl]methyl}biphenyl- 2-carbonitrile","","- C22 H18 Cl N3 O -","- C22 H18 Cl N3 O -","- C88 H72 Cl4 N12 O4 -","4","1","WN6311","Malathy Sony, S. M.; Charles, P.; Ponnuswamy, M. N.; Yathirajan, H. S.; Nethaji, M.","4'-{[2-(But-2-enyl)-4-chloro-5-formyl-1<i>H</i>-imidazol-1-yl]methyl}biphenyl-2-carbonitrile","Acta Crystallographica Section E","2005","61","1","o25","o26","10.1107/S1600536804031186","","","0.71073","MoKα","","0.0817","0.0636","","","0.1695","0.1836","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204981","10.5872","0.0011","10.5872","0.0011","11.9509","0.0012","90","","90","","90","","1339.6","0.2","110","2","110","2","","","","","","","","5","P 43","P 4cw","78","","(S)-(Acetylacetonato-κ^2^O,O')[2-(1-aminoethyl)phenyl- κ^2^C^1^,N]palladium(II)","","- C13 H17 N O2 Pd -","- C13 H17 N O2 Pd -","- C52 H68 N4 O8 Pd4 -","4","1","WW6314","Calmuschi, Beatrice; Englert, Ulli","(<i>S</i>)-(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)","Acta Crystallographica Section E","2005","61","1","m164","m165","10.1107/S1600536804032842","","","0.71073","MoKα","","0.0207","0.0196","","","0.0471","0.0476","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204982","10.951","0.005","10.951","0.005","12.442","0.007","90","","90","","90","","1492.1","1.3","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","(S)-2-(1-Aminoethyl)phenyl-κ^2^C^1^,N](hexafluoroacetylacetonato- κ^2^O,O')palladium(II)","","- C13 H9 F6 N O2 Pd -","- C13 H9 F6 N O2 Pd -","- C52 H36 F24 N4 O8 Pd4 -","4","1","WW6315","Calmuschi, Beatrice; Englert, Ulli","(<i>S</i>)-[2-(1-Aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>](hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section E","2005","61","1","m166","m167","10.1107/S1600536804032854","","","0.71073","MoKα","","0.0384","0.0367","","","0.0936","0.0946","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204983","23.283","0.012","8.824","0.006","15.562","0.01","90","","112.574","0.0013","90","","2952","3","293","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","rac-[2-(1-Aminoethyl)phenyl-κ^2^C^1^,N](hexafluoroacetylacetonato- κ^2^O,O')palladium(II)","","- C13 H11 F6 N O2 Pd -","- C13 H11 F6 N O2 Pd -","- C104 H88 F48 N8 O16 Pd8 -","8","1","WW6316","Calmuschi, Beatrice; Englert, Ulli","<i>rac</i>-[2-(1-Aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>](hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section E","2005","61","1","m168","m170","10.1107/S1600536804032866","","","0.71073","MoKα","","0.1029","0.0566","","","0.1224","0.1375","","","","","","0.991","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204984","7.373","0.0002","13.529","0.0003","17.268","0.0003","90","","90","","90","","1722.47","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Acetonitrilechlorobis(η^5^-cyclopentadienyl)vanadium(IV) tetrachloroiron(III)","","- C12 H13 Cl5 Fe N V -","- C12 H13 Cl5 Fe N V -","- C48 H52 Cl20 Fe4 N4 V4 -","4","1","WW6317","Honzíček, Jan; Císařová, Ivana; Vinklárek, Jaromír","Acetonitrilechlorotris(η^5^-cyclopentadienyl)vanadium(IV) tetrachloroferrate(III)","Acta Crystallographica Section E","2005","61","1","m149","m151","10.1107/S1600536804032830","","","0.71073","MoKα","","0.024","0.0221","","","0.0524","0.0535","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204985","8.7861","0.0003","10.359","0.0009","17.9636","0.0007","99.192","0.007","90.389","0.002","105.774","0.003","1551.01","0.16","296.2","","","","","","","","","","","6","P -1","-P 1","2","","Acetonitrile(1,10-phenanthroline )(2,2':6',2''-terpyridine)ruthenium(II) hexafluorophosphate","","- C29 H22 F12 N6 P2 Ru -","- C29 H22 F12 N6 P2 Ru -","- C58 H44 F24 N12 P4 Ru2 -","2","1","WW6333","Naokazu Yoshikawa; Akio Ichimura; Nobuko Kanehisa; Yasushi Kai; Hiroshi Takashima; Keiichi Tsukahara","Acetonitrile(1,10-phenanthroline)(2,2':6',2''-terpyridine)ruthenium(II) bis(hexafluorophosphate)","Acta Crystallographica Section E","2005","61","1","m55","m56","10.1107/S1600536804031629","","","0.7107","MoKα","","","0.0888","","","","0.1719","","","","","","1.29","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204986","8.29","0.0002","8.381","0.0002","12.795","0.0003","73.882","0.0015","89.372","0.0014","62.465","0.0013","750.07","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Dichloro{(η^5^,κN)- [(tert-butylamido)dimethylsilyl]cyclopentadienyl}titanium(IV)","","- C11 H19 Cl2 N Si Ti -","- C11 H19 Cl2 N Si Ti -","- C22 H38 Cl4 N2 Si2 Ti2 -","2","1","YA6226","Erben, Milan; Císařová, Ivana; Vinklárek, Jaromír; Dušek, Michal","{(η^5^,κ<i>N</i>)-[(<i>tert</i>-Butylamido)dimethylsilyl]cyclopentadienyl}dichlorotitanium(IV)","Acta Crystallographica Section E","2005","61","1","m50","m51","10.1107/S1600536804031332","","","0.71073","MoKα","","0.03","0.027","","","0.069","0.072","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204987","9.3049","0.0008","11.1595","0.0015","11.4248","0.0018","108.526","0.005","106.493","0.008","90.737","0.006","1071.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine-κ^2^N:N'] 3-carboxylatophenoxyacetate monohydrate]","","- C19 H24 N2 O10 Zn -","- C19 H24 N2 O10 Zn -","- C38 H48 N4 O20 Zn2 -","2","1","YA6230","Zhao, Jing-Gui; Gu, Chang-Sheng; Huo, Li-Hua; Liu, Ji-Wei; Gao, Shan","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-carboxylatophenoxyacetate monohydrate]","Acta Crystallographica Section E","2005","61","1","m76","m78","10.1107/S1600536804031344","","","0.71073","MoKα","","0.068","0.04","","","0.079","0.089","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204988","5.839","0.002","9.498","0.003","15.663","0.005","90","","92.76","0.02","90","","867.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","α-Cyano-4-hydroxy-cinnamic acid","2-Cyano-3-(4-hydroxyphenyl)propenoic acid","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","AC6150","Qian, Hui-Fen; Huang, Wei; Yao, Cheng","2-Cyano-3-(4-hydroxyphenyl)propenoic acid","Acta Crystallographica Section E","2005","61","2","o370","o372","10.1107/S1600536805001224","","","0.71073","MoKα","","0.0646","0.0579","","","0.1109","0.1145","","","","","","0.987","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204989","12.0293","0.0015","13.1788","0.0017","13.8881","0.0018","68.211","0.002","72.262","0.002","67.135","0.002","1850.4","0.4","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[(CH~2~trpy)(bipy)CORu] 2PF~6~ acetone","cis-(2,2'-Bipyridyl-κ^2^N,N')carbonyl(η^3^-1-methylene-2,2':6',2''- terpyridyl-κ^3^C^1^,N,N')-ruthenium(II) bis(hexafluorophosphate) acetone disolvate","","- C33 H33 F12 N5 O3 P2 Ru -","- C33 H33 F12 N5 O3 P2 Ru -","- C66 H66 F24 N10 O6 P4 Ru2 -","2","1","AC6152","Gibson, Dorothy H.; Mashuta, Mark S.; Andino, Jose G.","<i>cis</i>-(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')carbonyl(η^3^-1-methylene-2,2':6',2''-terpyridyl-κ^3^<i>C</i>^1^,<i>N</i>,<i>N</i>')ruthenium(II) bis(hexafluorophosphate) acetone disolvate","Acta Crystallographica Section E","2005","61","2","m341","m343","10.1107/S160053680500142X","","","0.71073","MoKα","","0.035","0.034","","","0.088","0.089","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204990","7.1233","0.0003","17.3399","0.0007","9.5533","0.0004","90","","90","","90","","1180","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(6-Bromopyridin-2-yl)-3-methyl-3H-imidzol-1-ium bromide monoydrate","","- C9 H11 Br2 N3 O -","- C9 H11 Br2 N3 O -","- C36 H44 Br8 N12 O4 -","4","1","AC6155","Cheng, Bi Yun; Zeng, Jing Yao; Chiu, Pei Ling; Lee, Hon Man","1-(6-Bromopyridin-2-yl)-3-methyl-3<i>H</i>-imidazol-1-ium bromide monohydrate","Acta Crystallographica Section E","2005","61","2","o509","o510","10.1107/S1600536805002783","","","0.71073","MoKα","","0.0435","0.0346","","","0.0914","0.0971","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204991","12.2994","0.0018","11.6445","0.0017","13.66","0.002","90","","113.909","0.002","90","","1788.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Aqua[bis(5-bromosalicylidene)ethylenediaminato]chloromanganese(III)","aqua{4,4'-dibromo-2,2'-[1,2- ethanediylbis(nitrilomethylidyne)]diphenolato]chloromanganese(III)), [Mn(C~16~H~12~Br~2~N~2~O~2~)Cl(H~2~O)]","","- C16 H14 Br2 Cl Mn N2 O3 -","- C16 H14 Br2 Cl Mn N2 O3 -","- C64 H56 Br8 Cl4 Mn4 N8 O12 -","4","1","BR6176","Dang, Li-Long; Huo, Yong-Qian; Wang, Wei; Li, Jun","Aqua[bis(5-bromosalicylidene)ethylenediaminato]chloromanganese(III)","Acta Crystallographica Section E","2005","61","2","m332","m334","10.1107/S1600536805000942","","","0.71073","MoKα","","0.082","0.0726","","","0.1586","0.1641","","","","","","1.191","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204992","11.2152","0.0014","8.7122","0.001","29.091","0.003","90","","95.719","0.009","90","","2828.3","0.6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(3-Methoxysalicylideneamino)-1H-benzimidazole monohydrate","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C120 H120 N24 O24 -","8","1","BT6567","Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","2-(3-Methoxysalicylideneamino)-1<i>H</i>-benzimidazole monohydrate","Acta Crystallographica Section E","2005","61","2","o423","o424","10.1107/S1600536804033057","","","0.71073","MoKα","","0.073","0.032","","","0.058","0.062","","","","","","0.83","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204993","12.545","0.0009","8.4858","0.0008","13.2955","0.001","90","","111.755","0.006","90","","1314.56","0.19","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Methoxysalicylideneamino)-1H-benzimidazole","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","1","BT6568","Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan","2-(3-Methoxysalicylideneamino)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2005","61","2","o425","o426","10.1107/S1600536804033069","","","0.71073","MoKα","","0.083","0.039","","","0.076","0.087","","","","","","0.88","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204994","15.121","0.003","7.234","0.001","12.773","0.002","90","","114.95","0.01","90","","1266.8","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Chloromethyl-4-(dimethylamino)-N,N-dimethylanilinium chloride","","- C11 H18 Cl2 N2 -","- C11 H18 Cl2 N2 -","- C44 H72 Cl8 N8 -","4","1","BT6570","Batsanov, Andrei S.; Collings, Jonathan C.; Marder, Todd B.","<i>N</i>-Chloromethyl-4-(dimethylamino)-<i>N,N</i>-dimethylanilinium chloride","Acta Crystallographica Section E","2005","61","2","o201","o202","10.1107/S1600536804033860","","","0.71073","MoKα","","0.0497","0.0372","","","0.1079","0.1146","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204995","10.518","0.001","20.61","0.002","7.4612","0.0008","90","","90","","90","","1617.4","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,8<i>S</i>,9<i>R</i>)-10,11-Dihydrocinchonidine","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C76 H96 N8 O4 -","4","1","BT6573","Lei, Xin-Xiang; Jing, Xiong; Zhang, An-Jiang; Ng, Seik Weng","10,11-Dihydrocinchonan-9-ol","Acta Crystallographica Section E","2005","61","2","o230","o232","10.1107/S1600536804034117","","","0.71073","MoKα","","0.079","0.072","","","0.156","0.16","","","","","","1.29","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204996","14.31","0.001","13.1112","0.0005","26.642","0.002","90","","90.007","0.005","90","","4998.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-(3a'S,4'S,9b'S,1R,2S,5R)-4'-Ethyl-3a',4',5',7',8',9b'-hexahydro-2- isopropyl-5-methyl-2'-phenylspiro[cyclohexane-1,7'-dioxino[3,2-e]isoindole]- 1',3',9'-trione","","- C27 H33 N O5 -","- C27 H33 N O5 -","- C216 H264 N8 O40 -","8","4","BT6574","Schollmeyer, Dieter; Hoffmann, Ralf; Mattay, Jochen","(‒)-(3a'<i>S</i>,4'<i>S</i>,9b'<i>S</i>,1<i>R</i>,2<i>S</i>,5<i>R</i>)-4'-Ethyl-3a',4',5',7',8',9b'-hexahydro-2-isopropyl-5-methyl-2'-phenylspiro[cyclohexane-1,7'-dioxino[3,2-<i>e</i>]isoindole]-1',3',9'-trione","Acta Crystallographica Section E","2005","61","2","o290","o291","10.1107/S1600536805000140","","","1.54178","CuKα","","0.0712","0.0506","","","0.137","0.1541","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204997","32.264","0.003","7.6517","0.0007","12.0672","0.0011","90","","95.242","0.002","90","","2966.6","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-aminiumbenzoic acid 5-sulfosalicylate","4-carboxyanilinium 3-carboxy-4-hydroxybenzenesulfonate","","- C14 H13 N O8 S -","- C14 H13 N O8 S -","- C112 H104 N8 O64 S8 -","8","1","BT6575","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","The 1:1 proton-transfer compound of 5-sulfosalicylic acid with 4-aminobenzoic acid","Acta Crystallographica Section E","2005","61","2","o313","o316","10.1107/S1600536805000152","","","0.71073","MoKα","","0.0434","0.04","","","0.1141","0.1171","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204998","10.4278","0.0005","13.3828","0.0006","18.0857","0.0009","90","","90","","90","","2523.9","0.2","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,10-bis(acetyloxy)-8-isopropyl-4,4,11a-trimethyl-2-oxo-2,3,4,6,11,11a- hexahydrobenzo[5,6]cyclohepta[1,2-b]pyran-9-yl acetate","","- C26 H32 O8 -","- C26 H32 O8 -","- C104 H128 O32 -","4","1","BT6576","K. Ravikumar; B. Sridhar; M. Marathanda Murthy","Bharangin triacetate","Acta Crystallographica Section E","2005","61","2","o380","o382","10.1107/S1600536805000838","","","0.71073","MoKα","","0.055","0.0526","","","0.1271","0.1285","","","","","","1.246","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204999","7.493","0.002","16.237","0.003","8.253","0.002","90","","92.91","0.03","90","","1002.8","0.4","295","2","295","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[tetrasilver(I)-di-μ-aqua-bis[μ~8~-3-carboxylato-4- hydroxybenzenesulfonato]","","- C14 H12 Ag4 O14 S2 -","- C14 H12 Ag4 O14 S2 -","- C28 H24 Ag8 O28 S4 -","2","0.5","BT6577","Gao, Shan; Zhu, Zhi-Bao; Huo, Li-Hua; Ng, Seik Weng","Poly[di-μ-aqua-bis(μ~8~-3-carboxylato-4-hydroxybenzenesulfonato)tetrasilver(I)]","Acta Crystallographica Section E","2005","61","2","m282","m284","10.1107/S1600536805000516","","","0.71073","MoKα","","0.029","0.026","","","0.066","0.068","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205000","8.309","0.001","11.264","0.002","12.611","0.002","112.743","0.006","97.608","0.007","95.516","0.007","1064.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Poly[[triaquadisilver(I)]bis[μ~4~-3-carboxy-4-hydroxybenzenesulfonato] monohydrate]","","- C14 H18 Ag2 O16 S2 -","- C14 H18 Ag2 O16 S2 -","- C28 H36 Ag4 O32 S4 -","2","1","BT6578","Gao, Shan; Zhu, Zhi-Bao; Huo, Li-Hua; Ng, Seik Weng","Poly[[triaquabis(μ~4~-3-carboxy-4-hydroxybenzenesulfonato)disilver(I)] monohydrate]","Acta Crystallographica Section E","2005","61","2","m279","m281","10.1107/S1600536805000504","","","0.71073","MoKα","","0.031","0.028","","","0.072","0.074","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205001","20.517","0.003","11.689","0.002","13.686","0.003","90","","124.33","0.03","90","","2710.5","1.3","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dipyridinium diaquatetrachlorotin(IV) 1,5-naphthalenedisulfonate","","- C20 H22 Cl4 N2 O8 S2 Sn -","- C20 H22 Cl4 N2 O8 S2 Sn -","- C80 H88 Cl16 N8 O32 S8 Sn4 -","4","0.5","BT6579","Gao, Shan; Huo, Li-Huo; Zhao, Hui; Ng, Seik Weng","Dipyridinium diaquatetrachlorotin(IV) 1,5-naphthalenedisulfonate","Acta Crystallographica Section E","2005","61","2","m285","m287","10.1107/S1600536805000528","","","0.71073","MoKα","","0.0268","0.0258","","","0.0731","0.0739","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205002","13.199","0.003","5.699","0.001","11.039","0.002","90","","112.79","0.03","90","","765.5","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis[aquamercury(I)]-di-μ-aqua-μ-1,5-naphthalenedisulfonato]","","- C10 H14 Hg2 O10 S2 -","- C10 H14 Hg2 O10 S2 -","- C20 H28 Hg4 O20 S4 -","2","0.5","BT6580","Zhu, Zhi-Biao; Shan Gao; Huo, Li-Hua; Ng, Seik Weng","Poly[bis[aquamercury(I)]-di-μ-aqua-μ-1,5-naphthalenedisulfonato]","Acta Crystallographica Section E","2005","61","2","m288","m289","10.1107/S160053680500053X","","","0.71073","MoKα","","0.054","0.046","","","0.117","0.136","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205003","8.16","0.005","8.451","0.005","11.629","0.005","97.921","0.005","108.234","0.005","110.548","0.005","685","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","4-(2,6-dimethylphenoxy)phthalonitrile","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C32 H24 N4 O2 -","2","2","BT6581","Büyükgüngör, Orhan; Kos̨ar, Bas̨ak; Akdemir, Nesuhi; Ağar, Erbil; Gümrükçüoğlu, Ismail","4-(2,6-Dimethylphenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","2","o335","o336","10.1107/S1600536805001078","","","0.71069","MoKα","","0.042","0.0388","","","0.1102","0.1128","","","","","","1.027","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205004","6.6691","0.0004","7.8721","0.0007","9.7547","0.0006","90","","94.404","0.007","90","","510.61","0.06","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Poly[di-μ~4~-acetato-di-μ~2~-azido-copper(II)disodium(II)]","","- C4 H6 Cu N6 Na2 O4 -","- C4 H6 Cu N6 Na2 O4 -","- C8 H12 Cu2 N12 Na4 O8 -","2","0.5","BT6583","Näther, Christian; Greve, Jan; Jeß, Inke","Poly[di-μ~4~-acetato-di-μ~2~-azido-copper(II)disodium(I)] at 150K","Acta Crystallographica Section E","2005","61","2","m314","m316","10.1107/S160053680500108X","","","0.71073","MoKα","","0.0444","0.0392","","","0.1014","0.1046","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205005","20.454","0.003","15.749","0.003","14.603","0.003","90","","120.05","0.004","90","","4071.8","1.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[μ-4'-(2-pyridyl)-2,2':6',2''-terpyridine]disilver(I) bis(hexafluorophosphate)","","- C40 H28 Ag2 F12 N8 P2 -","- C40 H28 Ag2 F12 N8 P2 -","- C160 H112 Ag8 F48 N32 P8 -","4","0.5","BT6584","Hou, Lei; Li, Dan; Ng, Seik Weng","Bis[μ-4'-(2-pyridyl)-2,2':6',2''-terpyridine]disilver(I) bis(hexafluorophosphate)","Acta Crystallographica Section E","2005","61","2","m404","m406","10.1107/S1600536805002618","","","0.71073","MoKα","","0.0846","0.0681","","","0.1942","0.2028","","","","","","1.168","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205006","11.4626","0.0006","12.0032","0.0009","16.7541","0.0009","90","","90","","90","","2305.2","0.2","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Poly[tetra-μ~2~-azido-di-μ~2~-4,4'-bipyridine-sodium(I)iron(III)]","","- C20 H16 Fe N16 Na -","- C20 H16 Fe N16 Na -","- C80 H64 Fe4 N64 Na4 -","4","0.5","BT6585","Näther, Christian; Greve, Jan; Jeß, Inke","Poly[tetra-μ~2~-azido-di-μ~2~-4,4'-bipyridine-sodium(I)iron(III)]","Acta Crystallographica Section E","2005","61","2","m317","m319","10.1107/S1600536805001091","","","0.71073","MoKα","","0.032","0.029","","","0.0739","0.0753","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205007","10.6219","0.0007","7.6529","0.0003","11.1018","0.0007","90","","104.804","0.007","90","","872.49","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[(2-iodopyrazine-κN^4^)copper(I)]-μ~3~-thiocyanato-κ^3^N:S:S]","","- C5 H3 Cu I N3 S -","- C5 H3 Cu I N3 S -","- C20 H12 Cu4 I4 N12 S4 -","4","1","BT6587","Näther, Christian; Wriedt, Mario; Jeß, Inke","Poly[[(2-iodopyrazine-κ<i>N</i>^4^)copper(I)]-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>]","Acta Crystallographica Section E","2005","61","2","m329","m331","10.1107/S1600536805001327","","","0.71073","MoKα","","0.0488","0.0372","","","0.08","0.0856","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205008","15.422","0.002","3.8275","0.0006","19.282","0.003","90","","103.29","0.01","90","","1107.7","0.3","93.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H16 N4 O4 -","- C34 H16 N4 O4 -","- C68 H32 N8 O8 -","2","0.5","BT6588","Mizuguchi, Jin; Hino, Kazuyuki; Sato, Kazuyuki; Takahashi, Hiroo; Suzuki, Shigeru","<i>N,N</i>'-Di-3-pyridylperylene-3,4:9,10-bis(dicarboximide)","Acta Crystallographica Section E","2005","61","2","o434","o436","10.1107/S1600536805001996","","","1.5418","CuKα","","","0.0391","","","","0.0731","","","","","","0.94","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205009","17.599","0.001","7.1705","0.0005","20.679","0.002","90","","111.004","0.005","90","","2436.2","0.3","93.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H16 N4 O4 -","- C34 H16 N4 O4 -","- C136 H64 N16 O16 -","4","1","BT6589","Mizuguchi, Jin; Hino, Kazuyuki; Sato, Kazuyuki; Takahashi, Hiroo; Suzuki, Shigeru","<i>N,N</i>'-Di-2-pyridylperylene-3,4:9,10-bis(dicarboximide)","Acta Crystallographica Section E","2005","61","2","o437","o439","10.1107/S160053680500200X","","","1.5418","CuKα","","","0.0624","","","","0.0452","","","","","","1.889","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205010","21.232","0.002","15.89","0.002","6.9311","0.0008","90","","90","","90","","2338.4","0.5","93.2","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H16 N4 O4 -","- C34 H16 N4 O4 -","- C136 H64 N16 O16 -","4","0.5","BT6590","Hino, Kazuyuki; Sato, Kazuyuki; Takahashi, Hiroo; Suzuki, Shigeru; Mizuguchi, Jin","<i>N,N</i>'-Di-4-pyridylperylene-3,4:9,10-bis(dicarboximide)","Acta Crystallographica Section E","2005","61","2","o440","o441","10.1107/S1600536805002011","","","1.5418","CuKα","","","0.0737","","","","0.1475","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205011","15.795","0.003","7.917","0.002","9.829","0.002","90","","90.65","0.03","90","","1229","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[[diaquacalcium(II)]-μ~4~-benzene-1,3-dioxyacetato]","","- C10 H12 Ca O8 -","- C10 H12 Ca O8 -","- C40 H48 Ca4 O32 -","4","1","BT6591","Gao, Shan; Huo, Li-Hua; Liu, Ji-Wei; Ng, Seik Weng","Twinned poly[[diaquacalcium(II)]-μ~4~-benzene-1,3-dioxyacetato]","Acta Crystallographica Section E","2005","61","2","m407","m409","10.1107/S1600536805002588","","","0.71073","MoKα","","0.075","0.061","","","0.166","0.203","","","","","","1.11","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205012","13.341","0.003","13.981","0.003","14.185","0.003","70.33","0.01","75.8","0.01","66.64","0.01","2268","0.9","275","2","295","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(μ~2~-4-tolylthioacetato-κ^2^O:O')bis[(pyridine-κN)copper(II)]","","- C46 H46 Cu2 N2 O8 S4 -","- C46 H46 Cu2 N2 O8 S4 -","- C92 H92 Cu4 N4 O16 S8 -","2","1","BT6592","Gao, Shan; Huo, Li-Hua; Shu, Hong; Ng, Seik Weng","Tetrakis(μ~2~-4-tolylthioacetato-κ^2^<i>O</i>:<i>O</i>')bis[(pyridine-κ<i>N</i>)copper(II)]","Acta Crystallographica Section E","2005","61","2","m389","m391","10.1107/S1600536805002412","","","0.71073","MoKα","","0.053","0.037","","","0.106","0.12","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205013","20.61","0.004","12.246","0.002","12.907","0.003","90","","90","","90","","3257.6","1.1","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Aquabis(3,5-dicarboxybenzoato-κO)bis(hexamethylenetetramine-κN)nickel(II)","","- C30 H36 N8 Ni O13 -","- C30 H36 N8 Ni O13 -","- C120 H144 N32 Ni4 O52 -","4","0.5","BT6593","Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","Aquabis(3,5-dicarboxybenzoato-κ<i>O</i>)bis(hexamethylenetetramine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2005","61","2","m392","m393","10.1107/S1600536805002424","","","0.71073","MoKα","","0.059","0.047","","","0.115","0.122","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205014","13.3078","0.0019","7.9299","0.0011","15.168","0.002","90","","90","","90","","1600.7","0.4","273","2","273","2","","","","","","","","3","P n a 21","P 2c -2n","33","","15,18-dimethyl-5-dioxo-14- oxapentacyclo[11.4.1.0^2,15^.0^4,13^.0^6,11^]octadeca-3,6,8,10-tetraene- 18-carbaldehyde","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","BT6594","K. Ravikumar; B. Sridhar; S. Venkat Reddy; U. Sampath Kumar; J. Madhusudana Rao","The natural naphthoquinone sterekunthal-B","Acta Crystallographica Section E","2005","61","2","o494","o496","10.1107/S160053680500259X","","","0.71073","MoKα","","0.0399","0.0386","","","0.1027","0.1049","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205015","7.9612","0.0002","11.802","0.0003","15.3935","0.0004","90","","99.614","0.001","90","","1426.03","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[bis[aqua(1,10-phenanthroline)zinc(II)]-μ~4~-1,2,4,5- benzenetetracarboxylato]","","- C34 H22 N4 O10 Zn2 -","- C34 H22 N4 O10 Zn2 -","- C68 H44 N8 O20 Zn4 -","2","0.5","BV6008","Liu, Fu-Chen; Wang, Xiu-Li; Li, Jian-Rong; Ng, Seik Weng","<i>catena</i>-Poly[bis[aqua(1,10-phenanthroline)zinc(II)]-μ~4~-benzene-1,2,4,5-tetracarboxylato]","Acta Crystallographica Section E","2005","61","2","m299","m301","10.1107/S1600536805000711","","","0.71073","MoKα","","0.048","0.04","","","0.1","0.105","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205016","5.0587","0.0003","13.4343","0.0007","11.4989","0.0006","90","","96.149","0.001","90","","776.97","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexaaquamanganese(II) 5,5'-(1,4-phenylene)bis-tetrazolate","","- C8 H16 Mn N8 O6 -","- C8 H16 Mn N8 O6 -","- C16 H32 Mn2 N16 O12 -","2","0.5","BV6009","Ma, Zhi-Jie; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Hexaaquamanganese(II) 5,5'-(1,4-phenylene)ditetrazolate","Acta Crystallographica Section E","2005","61","2","m361","m363","10.1107/S1600536805001418","","","0.71073","MoKα","","0.0304","0.029","","","0.0797","0.0807","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205017","12.642","0.003","12.987","0.003","14.501","0.003","86.15","0.03","75.77","0.03","70.17","0.03","2170.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris(1,10-phenanthroline-κN,N')manganese(II) bis(perchlorate) chloroform disolvate","","- C38 H26 Cl8 Mn N6 O8 -","- C38 H26 Cl8 Mn N6 O8 -","- C76 H52 Cl16 Mn2 N12 O16 -","2","1","BV6010","Cui, Guang-Hua; Li, Jian-Rong","Tris(1,10-phenanthroline-κ<i>N</i>,<i>N</i>')manganese(II) bis(perchlorate) chloroform disolvate","Acta Crystallographica Section E","2005","61","2","m349","m350","10.1107/S160053680500156X","","","0.71073","MoKα","","0.1129","0.0729","","","0.1849","0.205","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205018","11.75","0.006","13.512","0.007","14.068","0.007","65.43","0.006","86.264","0.007","81.663","0.007","2009.8","1.8","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-N-acetyl-N-phenylglycinato-κ^2^O,O')bis[(N-acetyl-N- phenylglycinato-κ^3^O,O,O)(1,10-phenanthroline-κ^2^N,N')cerium(III)] dihydrate","","- C84 H80 Ce2 N10 O20 -","- C84 H80 Ce2 N10 O20 -","- C84 H80 Ce2 N10 O20 -","1","0.5","CF6392","Fu, Ai-Yun; Fu, Shi-Zhou; Yu, Tao","Tetrakis(μ-<i>N</i>-acetyl-<i>N</i>-phenylglycinato-κ^2^<i>O,O</i>')bis[(<i>N</i>-acetyl-<i>N</i>-phenylglycinato-κ^3^<i>O,O,O</i>)(1,10-phenanthroline-κ^2^<i>N,N</i>')cerium(III)] dihydrate","Acta Crystallographica Section E","2005","61","2","m223","m225","10.1107/S1600536804034014","","","0.71073","MoKα","","0.0768","0.0468","","","0.1031","0.1226","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205019","11.163","0.004","6.651","0.002","21.519","0.007","90","","100.015","0.006","90","","1573.3","0.9","297","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-(Methylenedioxy)benzaldehyde benzoylhydrazone ethanol solvate","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","CF6394","Ai-Xiu Li; Li-Li Liu","3,4-(Methylenedioxy)benzaldehyde benzoylhydrazone ethanol solvate","Acta Crystallographica Section E","2005","61","2","o277","o279","10.1107/S1600536805000437","","","0.71073","MoKα","","0.0906","0.0451","","","0.1053","0.1364","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205020","6.4862","0.0001","27.931","0.0005","6.4787","0.0001","90","","109.894","0.0007","90","","1103.68","0.03","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Azido-2-deoxy-3,4-O-isopropylidene-2-C-methyl-D-ribono-1,5-lactone","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","2","CF6395","Punzo, Francesco; Watkin, David J.; Jenkinson, Sarah F.; da Cruz, Filipa P.; Fleet, George W. J.","2-Azido-2-deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-<small>D</small>-ribono-1,5-lactone","Acta Crystallographica Section E","2005","61","2","o511","o512","10.1107/S160053680500067X","","","0.71073","MoKα","","0.063","0.0446","","0.1018","0.0953","0.1018","","","","","","0.9941","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205021","9.5559","0.0002","13.8885","0.0005","15.2346","0.0005","90","","91.557","0.002","90","","2021.15","0.11","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-n-butylammonium hexafluorophosphate","","- C16 H36 F6 N P -","- C16 H36 F6 N P -","- C64 H144 F24 N4 P4 -","4","1","CF6396","Zafra Stein; Israel Goldberg","Tetra-<i>n</i>-butylammonium hexafluorophosphate at 110K","Acta Crystallographica Section E","2005","61","2","o272","o274","10.1107/S1600536805000462","","","0.71073","MoKα","","0.074","0.0483","","","0.1169","0.1301","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205022","7.74","0.002","5.6749","0.0013","11.484","0.002","90","","101.055","0.002","90","","495.06","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","p-Phenylene diacetate","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","0.5","CF6399","Juan Men; Fengcai Gu; Huifang Sun","<i>p</i>-Phenylene diacetate","Acta Crystallographica Section E","2005","61","2","o471","o472","10.1107/S1600536805002199","","","0.71073","MoKα","","0.0632","0.0393","","","0.1052","0.1162","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205023","6.635","0.005","9.239","0.007","9.359","0.008","115.53","0.03","107.51","0.02","95.6","0.02","476.2","0.7","296.1","","296.1","","","","","","","","","4","P -1","-P 1","2","","Diaquabis(μ-4-hydroxybenzenecarboxylato-κ^2^O,O')disilver(I)(Ag—Ag) tetrahydrate","","- C14 H22 Ag2 O12 -","- C14 H22 Ag2 O12 -","- C14 H22 Ag2 O12 -","1","0.5","CF6400","Wang, Yue; Okabe, Nobuo","Diaquabis(μ-4-hydroxybenzenecarboxylato-κ^2^<i>O</i>,<i>O</i>')disilver(I)(<i>Ag</i>—<i>Ag</i>) tetrahydrate","Acta Crystallographica Section E","2005","61","2","m382","m384","10.1107/S1600536805002217","","","0.71075","MoKα","","0.0276","0.0249","","","0.064","0.0653","","","","","","1.073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205024","24.26","0.001","9.0818","0.0005","15.0164","0.0008","90","","115.516","0.001","90","","2985.8","0.3","90","1","90","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(tetrahydroborate-H,H')-bis(triphenylphosphine)-copper(I)","","- C36 H34 B Cu P2 -","- C36 H34 B Cu P2 -","- C144 H136 B4 Cu4 P8 -","4","0.5","CI6482","Moncol, Jan; Gembicky, Milan; Coppens, Philip","(Tetrahydroborato)bis(triphenylphosphine)copper(I): a redetermination at 90K","Acta Crystallographica Section E","2005","61","2","m242","m243","10.1107/S1600536804030314","","","0.71069","MoKα","","0.0245","0.0225","","","0.0633","0.0643","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205025","10.472","0.003","13.526","0.004","14.963","0.005","113.44","0.005","100.681","0.006","104.926","0.006","1777.1","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(8E)-8-benzylidene-3,4,5,6,7,8-hexahydro-4-phenylquinazoline-2(1H)-thione","","- C21 H20 N2 S -","- C21 H20 N2 S -","- C84 H80 N8 S4 -","4","2","CI6498","Zhang, Xiu-Ling; Liang, Zu-Pei","(8<i>E</i>)-8-Benzylidene-3,4,5,6,7,8-hexahydro-4-phenylquinazoline-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","2","o217","o219","10.1107/S1600536804033859","","","0.71073","MoKα","","0.1142","0.0479","","","","0.129","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205026","13.8103","0.0009","11.5082","0.0007","15.0809","0.0009","90","","113.236","0.001","90","","2202.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-hydroxy-2-naphthoate","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","2","CI6506","Jin, Cheng-Zhi; Jin, Long-Fei","Ethyl 3-hydroxy-2-naphthoate","Acta Crystallographica Section E","2005","61","2","o275","o276","10.1107/S1600536805000176","","","0.71073","MoKα","","0.121","0.0636","","","0.1221","0.1467","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205027","7.7115","0.0007","18.8101","0.0016","15.2619","0.0013","90","","97.023","0.001","90","","2197.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[(1,10-phenanthroline)nickel(II)]-μ-4,4'-oxydibenzoato] 0.25-hydrate]","","- C26 H16.5 N2 Ni O5.25 -","- C26 H16 N2 Ni O5.25 -","- C104 H64 N8 Ni4 O21 -","4","1","CI6507","Hong-Ping Xiao; Jia-Guo Wang; Xin-Hua Li; Mao-Lin Hu; Wei-Bing Zhang","<i>catena</i>-Poly[[[(1,10-phenanthroline)nickel(II)]-μ-4,4'-oxydibenzoato] 0.25-hydrate]","Acta Crystallographica Section E","2005","61","2","m257","m259","10.1107/S1600536805000218","","","0.71073","MoKα","","0.0709","0.05","","","0.1191","0.1268","","","","","","1.024","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205028","8.3212","0.0008","8.9609","0.0009","9.8813","0.001","97.07","0.002","101.475","0.002","108.355","0.002","671.54","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H19 N2 O5 P -","- C10 H19 N2 O5 P -","- C20 H38 N4 O10 P2 -","2","1","CI6511","He-Jiao Hu; Cui-Rong Sun; Hong Zhang; Yuan-Jiang Pan","<i>N</i>-(Dicyclopropylmethylamino)-4,5-dihydro-1,3-oxazolium dihydrogenphosphate","Acta Crystallographica Section E","2005","61","2","o413","o415","10.1107/S1600536805001571","","","0.71073","MoKα","","0.0325","0.0298","","","0.0827","0.0843","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205029","8.2642","0.0013","11.4273","0.0018","12.099","0.0019","90","","94.709","0.002","90","","1138.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Methoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","CI6512","Jun Wan; Chun-Li Li; Xue-Mei Li; Shu-Sheng Zhang","1-(4-Methoxyphenyl)-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one","Acta Crystallographica Section E","2005","61","2","o307","o308","10.1107/S1600536805000681","","","0.71073","MoKα","","0.044","0.0397","","","0.1076","0.1122","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205030","9.111","0.003","18.921","0.007","16.536","0.005","90","","92.368","0.006","90","","2848.2","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3'-(p-phenylenedimethylene)bis(1-methylimiadzolium)‒tetrachloroargentate(I) (3/2)","","- C48 H60 Ag2 Cl8 N12 -","- C48 H60 Ag2 Cl8 N12 -","- C96 H120 Ag4 Cl16 N24 -","2","0.5","CI6513","Wang, Jun-Wen; Xu, Feng-Bo; Li, Qing-Shan; Song, Hai-Bin; Zhang, Zheng-Zhi","3,3'-(<i>p</i>-Phenylenedimethylene)bis(1-methylimidazolium)‒tetrachloroargentate(I) (3/2)","Acta Crystallographica Section E","2005","61","2","m367","m369","10.1107/S1600536805001583","","","0.71073","MoKα","","0.0951","0.0506","","","0.1156","0.1315","","","","","","1.074","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205031","4.6082","0.0001","12.965","0.004","18.105","0.005","100.074","0.005","92.978","0.005","96.526","0.005","1055.3","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","3-Geranyloxy-6-methyl-1,8-dihydroxyanthraquinone","3-(3,7-Dimethylocta-2,6-dienyloxy)-1,8-dihydroxy-6-methyl-9,10-anthraquinone","","- C25 H26 O5 -","- C25 H26 O5 -","- C50 H52 O10 -","2","1","CI6514","Nawong Boonnak; Suchada Chantrapromma; Hoong-Kun Fun; Shazia Anjum; Shamsher Ali; Atta-ur-Rahman; Chatchanok Karalai","3-(3,7-Dimethylocta-2,6-dienyloxy)-1,8-dihydroxy-6-methyl-9,10-anthraquinone","Acta Crystallographica Section E","2005","61","2","o410","o412","10.1107/S1600536805001674","","","0.71073","MoKα","","0.1426","0.0856","","","0.1924","0.2192","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205032","7.8361","0.0006","4.009","0.0003","21.572","0.002","90","","97.586","0.007","90","","671.75","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-methylenedithio-1,3-dithiol-2-one","","- C4 H2 O S4 -","- C4 H2 O S4 -","- C16 H8 O4 S16 -","4","1","CI6515","Xue, Gang; Yu, Wentao; Fang, Qi","4,5-Methylenedithio-1,3-dithiol-2-one","Acta Crystallographica Section E","2005","61","2","o429","o430","10.1107/S160053680500173X","","","0.71073","MoKα","","0.0348","0.0263","","","0.0634","0.0677","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205033","22.779","0.003","11.7073","0.0012","16.8032","0.0016","90","","124.978","0.006","90","","3671.7","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-{[(1Z)-(3-Methyl-5-oxo-1-phenyl-1,5-dihydropyrazol-4- ylidene)(phenyl)methyl]amino}propionic acid","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C160 H152 N24 O24 -","8","1","CI6517","Hai-Zhen Xu; Xin Zhang; Gui-Sheng Yu","3-{[(1<i>Z</i>)-(3-Methyl-5-oxo-1-phenyl-1,5-dihydropyrazol-4-ylidene)(phenyl)methyl]amino}propionic acid","Acta Crystallographica Section E","2005","61","2","o456","o458","10.1107/S1600536805002023","","","0.71073","MoKα","","0.0673","0.0396","","","0.1045","0.1182","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205034","15.113","0.002","15.692","0.002","16.806","0.002","90","","90","","90","","3985.6","0.9","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^O)potassium chlorochromate","","- C12 H24 Cl Cr K O9 -","- C12 H24 Cl Cr K O9 -","- C96 H192 Cl8 Cr8 K8 O72 -","8","1","CV6410","Kotlyar, Sergei A.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Chuprin, Gennady N.; Kiriyak, Andrey V.; Kamalov, Gerbert L.","(18-Crown-6)potassium chlorochromate","Acta Crystallographica Section E","2005","61","2","m293","m295","10.1107/S1600536805000085","","","0.71073","MoKα","","","0.0816","","","","0.2526","","","","","","0.909","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205035","7.2372","0.0008","8.1279","0.0009","9.1779","0.001","69.491","0.002","78.012","0.002","84.999","0.002","494.57","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaqua bis(6-nitro-3H-benzimidazol) copper(II) dinitrate","","- C14 H14 Cu N8 O12 -","- C14 H14 Cu N8 O12 -","- C14 H14 Cu N8 O12 -","1","0.5","CV6433","Cai-Feng Ding; Shu-Sheng Zhang; Bing-Qing Tian; Xue-Mei Li; Hong Xu; Ping-Kai Ouyang","Diaquabis(5-nitro-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)copper(II) dinitrate","Acta Crystallographica Section E","2005","61","2","m235","m236","10.1107/S1600536804034300","","","0.71073","MoKα","","0.0317","0.03","","","0.0812","0.0829","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205036","9.3325","0.0008","10.7217","0.0009","14.2612","0.0012","77.4","0.001","71.961","0.001","65.437","0.001","1227.44","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[(4'-phenyl-2,2':6',2''-terpyridine-κ^3^N,N',N'')zinc(II)]- μ-terephthalato-κ^2^O:O'] monohydrate]","","- C29 H21 N3 O5 Zn -","- C29 H21 N3 O5 Zn -","- C58 H42 N6 O10 Zn2 -","2","1","CV6436","Tu, Qi-Dong; Yin, Ye-Gao; He, Jun; Xiang, Jing; Li, Dan; Ng, Seik Weng","<i>catena</i>-Poly[[[(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')zinc(II)]-μ-terephthalato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2005","61","2","m254","m256","10.1107/S1600536805000127","","","0.71073","MoKα","","0.0813","0.0592","","","0.136","0.1512","","","","","","1.115","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205037","16.3545","0.0004","10.8868","0.0003","18.4635","0.0005","90","","104.102","0.002","90","","3188.32","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-1-[(cyclohexyloxy)carbonyloxy]ethyl 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole- 7-carboxylate","","- C33 H34 N6 O6 -","- C33 H34 N6 O6 -","- C132 H136 N24 O24 -","4","1","CV6437","Fernández, Daniel; Vega, Daniel; Ellena, Javier A.","Candesartan cilexetil, an antihypertensive agent containing an extended double ester chain","Acta Crystallographica Section E","2005","61","2","o309","o312","10.1107/S1600536805000097","","","0.71073","MoKα","","0.1176","0.0877","","","0.2531","0.2917","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205038","10.8731","0.0009","18.7861","0.0014","20.5836","0.0019","90","","90","","90","","4204.5","0.6","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","4-Benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylic acid methanol solvate","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C192 H160 N16 O32 -","8","1","CV6438","Yıldırım, İsmail; Özdemir, Namık; Akçamur, Yunus; Dinçer, Muharrem; Andaç, Ömer","4-Benzoyl-1,5-diphenyl-1<i>H</i>-pyrazole-3-carboxylic acid methanol solvate","Acta Crystallographica Section E","2005","61","2","o256","o258","10.1107/S1600536804034348","","","0.71073","MoKα","","0.1046","0.043","","","0.0738","0.0792","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205039","10.216","0.002","15.445","0.004","13.01","0.006","90","","106.37","0.02","90","","1969.6","1.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tert-butylmerocyanine","4-[(1-Methyl-1,4-dihydropyridinylidene)ethylidene]-2,6-di-tert-butyl-2,5- cyclohexadien-1-one","","- C22 H29 N O -","- C22 H29 N O -","- C88 H116 N4 O4 -","4","1","CV6439","Masciocchi, Norberto; Scuderi, Patrizia; Maspero, Angelo","Brooker's di-<i>tert</i>-butylmerocyanine","Acta Crystallographica Section E","2005","61","2","o227","o229","10.1107/S1600536804034129","","","0.71073","MoKα","","0.1479","0.071","","","0.165","0.2074","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205040","10.1918","0.0009","17.7185","0.0016","14.1563","0.0013","90","","106","0.002","90","","2457.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-Ethyl 3-phenyl-2-[(triphenylphosphoranylidene)amino]prop-2-enoate","","- C29 H26 N O2 P -","- C29 H26 N O2 P -","- C116 H104 N4 O8 P4 -","4","1","CV6440","Huang, Xiao-Bo; Liu, Miao-Chang; Wu, Hua-Yue; Ding, Jin-Chang; Hu, Mao-Lin","(<i>Z</i>)-Ethyl 3-phenyl-2-[(triphenylphosphoranylidene)amino]prop-2-enoate","Acta Crystallographica Section E","2005","61","2","o280","o281","10.1107/S1600536805000309","","","0.71073","MoKα","","0.0639","0.054","","","0.1248","0.1306","","","","","","1.116","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205041","8.8895","0.0011","8.9281","0.001","9.6787","0.0013","98.382","0.01","113.16","0.01","101.06","0.009","671.99","0.16","293","","293","","","","","","","","","4","P -1","-P 1","2","1,2,4,5,7-Pentabromo-5-methoxyindane","(1RS,2SR)-1,2,4,5,7-Pentabromo-5-methoxyindane","","- C10 H7 Br5 O -","- C10 H7 Br5 O -","- C20 H14 Br10 O2 -","2","1","CV6443","Mehmet Akkurt; Ísmail Çelik; Kıymet Berkil; Ahmet Tutar; Cem Cüneyt Ersanlı; Osman Çakmak; Orhan Büyükgüngör","(1<i>RS</i>,2S<i>R</i>)-1,2,4,5,7-Pentabromo-5-methoxyindane","Acta Crystallographica Section E","2005","61","2","o475","o477","10.1107/S160053680500111X","","","0.71073","MoKα","","0.1111","0.0412","","","0.0644","0.0735","","","","","","0.813","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205042","21.473","0.004","10.229","0.002","12.353","0.002","90","","98.68","0.02","90","","2682.2","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Melaminium benzoate dihydrate","","- C10 H16 N6 O4 -","- C10 H16 N6 O4 -","- C80 H128 N48 O32 -","8","1","CV6445","Genivaldo Julio Perpétuo; Jan Janczak","Melaminium benzoate dihydrate","Acta Crystallographica Section E","2005","61","2","o287","o289","10.1107/S1600536805000619","","","0.71073","MoKα","","0.0622","0.0361","","","0.0836","0.0942","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205043","4.6858","0.0007","8.2573","0.0009","17.627","0.002","90","","90","","90","","682.02","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-aminophthalide","5-Amino-3H-isobenzofuran-1-one","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","CV6446","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Gaonkar, Santhosh L.; Narasegowda, Rajenahally S.; Prabhuswamy, Basappa; Bolte, Michael","5-Amino-3<i>H</i>-isobenzofuran-1-one (5-aminophthalide)","Acta Crystallographica Section E","2005","61","2","o343","o344","10.1107/S1600536805000851","","","0.71073","MoKα","","0.0317","0.0264","","","0.0652","0.0673","","","","","","1.044","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205044","15.4063","0.0019","6.0861","0.0006","15.4426","0.0016","90","","93.95","0.009","90","","1444.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-bromophthalide","5-Bromo-3H-isobenzofuran-1-one","","- C8 H5 Br O2 -","- C8 H5 Br O2 -","- C64 H40 Br8 O16 -","8","2","CV6447","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Gaonkar, Santhosh L.; Narasegowda, Rajenahally S.; Prabhuswamy, Basappa; Bolte, Michael","5-Bromo-3<i>H</i>-isobenzofuran-1-one (5-bromophthalide)","Acta Crystallographica Section E","2005","61","2","o345","o346","10.1107/S160053680500084X","","","0.71073","MoKα","","0.0758","0.0488","","","0.1109","0.1215","","","","","","0.965","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205045","8.4201","0.0002","16.2404","0.0003","15.196","0.0004","90","","103.844","0.001","90","","2017.63","0.08","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(η^6^-N,N-Diethylaniline)(η^4^-1,2,3,4-tetramethylcyclobutadiene)cobalt(I) hexafluorophosphate","","- C18 H27 Co F6 N P -","- C18 H27 Co F6 N P -","- C72 H108 Co4 F24 N4 P4 -","4","1","CV6448","Kennedy, Alan R.; Pauson, Peter L.","(η^6^-<i>N,N</i>-Diethylaniline)(η^4^-1,2,3,4-tetramethylcyclobutadiene)cobalt(I) hexafluorophosphate","Acta Crystallographica Section E","2005","61","2","m302","m303","10.1107/S1600536805000863","","","0.71073","MoKα","","0.0946","0.0523","","","0.1212","0.1407","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205046","9.8221","0.001","10.6654","0.001","16.5207","0.0016","107.009","0.002","101.652","0.002","100.645","0.002","1565","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Z)-3-Phenylethyl-5-phenylmethylidene-2-thioxo-1H-imidazolidin-4-one","","- C18 H16 N2 O S -","- C18 H16 N2 O S -","- C72 H64 N8 O4 S4 -","4","2","CV6452","Hua-Yue, Wu; Xiao-Bo, Huang; Jin-Chang, Ding; Miao-Chang, Liu; Mao-Lin, Hu","(<i>Z</i>)-5-Benzylidene-3-phenethyl-2-thioxoimidazolidin-4-one","Acta Crystallographica Section E","2005","61","2","o497","o499","10.1107/S1600536805002667","","","0.71073","MoKα","","0.1054","0.0757","","","0.1662","0.1895","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205047","17.944","0.001","11.9692","0.0006","6.9072","0.0003","90","","90","","90","","1483.5","0.13","298","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(2-Phenylethyl)ammonium tetrabromothallate(III)","","- C8 H12 Br4 N Tl -","- C8 H12 Br4 N Tl -","- C32 H48 Br16 N4 Tl4 -","4","1","DN6172","M. Abdi; F. Zouari; N. Chniba-Boudjada; P. Bordet; A. Ben Salah","(2-Phenylethyl)ammonium tetrabromothallate(III)","Acta Crystallographica Section E","2005","61","2","m240","m241","10.1107/S1600536804033070","","","0.56085","AgKα","","0.0989","0.0511","","","0.107","0.1316","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205048","8.447","0.005","10.821","0.007","11.759","0.007","67.224","0.009","70.794","0.009","77.127","0.009","930.2","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-[(E)-Benzylideneamino]-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1- benzothiophene-3-carboxamide","","- C22 H19 F N2 O S -","- C22 H19 F N2 O S -","- C44 H38 F2 N4 O2 S2 -","2","1","DN6180","Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J.","2-[(<i>E</i>)-Benzylideneamino]-<i>N</i>-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","Acta Crystallographica Section E","2005","61","2","o236","o238","10.1107/S1600536804033008","","","0.71073","MoKα","","0.0533","0.0462","","","0.1217","0.1282","","","","","","1.038","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2205049","16.6509","0.0003","9.7336","0.0002","8.9989","0.0003","90","","90","","90","","1458.48","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","creatininium nitrate","","","- C4 H8 N4 O4 -","- C4 H8 N4 O4 -","- C32 H64 N32 O32 -","8","1","DN6185","Fadila, Berrah; Hanane, Lamraoui; Nourredine, Benali-Cherif","Hydrogen bonding in creatininium nitrate","Acta Crystallographica Section E","2005","61","2","o210","o212","10.1107/S1600536804032349","","","0.71073","MoKα","","0.0641","0.04","","","0.1001","0.1098","","","","","","1.02","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205050","10.8401","0.0007","17.359","0.001","15.611","0.001","90","","106.534","0.001","90","","2816.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(di-2-pyridylmethanediol-κ^3^N,O,N')nickel(II) dilactate","","- C28 H30 N4 Ni O10 -","- C28 H30 N4 Ni O10.001 -","- C112 H120 N16 Ni4 O40.004 -","4","1","DN6186","Li, Cui-Jin; Li, Wei; Tong, Ming-Liang; Ng, Seik Weng","Bis(di-2-pyridylmethanediol-κ^3^<i>N,O,N</i>')nickel(II) dilactate","Acta Crystallographica Section E","2005","61","2","m229","m231","10.1107/S1600536804033975","","","0.71073","MoKα","","0.059","0.045","","","0.105","0.112","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205051","23.557","0.002","8.5744","0.0006","15.848","0.001","90","","91.983","0.001","90","","3199.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(di-2-pyridylmethanediol-κ^3^N,O,N')copper(II) diacetate tetrahydrate","","- C26 H34 Cu N4 O12 -","- C26 H34 Cu N4 O12 -","- C104 H136 Cu4 N16 O48 -","4","0.5","DN6187","Li, Cui-Jin; Li, Wei; Tong, Ming-Liang; Ng, Seik Weng","A <i>C</i>-centered monoclinic modification of bis(di-2-pyridylmethanediol-κ^3^<i>N,O,N</i>')copper(II) diacetate tetrahydrate","Acta Crystallographica Section E","2005","61","2","m232","m234","10.1107/S1600536804033987","","","0.71073","MoKa","","0.043","0.037","","","0.114","0.119","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205052","10.7048","0.0017","16.38","0.003","28.722","0.005","90","","90","","90","","5036.2","1.5","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","bis[μ-6,6'-di-tert-butyl-4,4'-dimethyl-2,2- (ethylenedithio)diphenolato]bis[methylaluminium(I)]","","- C50 H70 Al2 O4 S4 -","- C50 H70 Al2 O4 S4 -","- C200 H280 Al8 O16 S16 -","4","0.5","DN6188","Ma, Haiyan; Melillo, Gianluca; Oliva, Leone; Spaniol, Thomas P.; Okuda, Jun","A dimeric alkyl complex supported by an <i>O,S,S,O</i>-tetradentate diphenolate ligand","Acta Crystallographica Section E","2005","61","2","m221","m222","10.1107/S1600536804033793","","","0.71073","MoKα","","0.0464","0.041","","","0.1057","0.1094","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205053","11.0319","0.0005","6.8524","0.0004","7.7018","0.0004","90","","105.444","0.003","90","","561.19","0.05","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[bis(1-methyl-1H-tetrazole-κN^4^)copper(II)]-di-μ-bromo]","","- C4 H8 Br2 Cu N8 -","- C4 H8 Br2 Cu N8 -","- C8 H16 Br4 Cu2 N16 -","2","0.5","DN6190","Ivashkevich, Ludmila S.; Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.","An X-ray powder diffraction study of <i>catena</i>-poly[[bis(1-methyl-1<i>H</i>-tetrazole-κ<i>N</i>^4^)copper(II)]-di-μ-bromo]","Acta Crystallographica Section E","2005","61","2","m394","m396","10.1107/S1600536805002205","","","1.5418","CuKα","","","","","","","","","","1.23","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205054","20.6438","0.0019","5.3153","0.0005","16.7247","0.0015","90","","97.039","0.002","90","","1821.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Diphenyl-2,2'-(1,3,4-thiadiazolyl-2,5-dithio)diacetamide","","- C18 H16 N4 O2 S3 -","- C18 H16 N4 O2 S3 -","- C72 H64 N16 O8 S12 -","4","1","DN6192","Yong-Hong Wen; Shu-Sheng Zhang; Bao-Hui Yu; Xue-Mei Li; Qing Liu","<i>N</i>,<i>N</i>'-Diphenyl-2,2'-(1,3,4-thiadiazolyl-2,5-dithio)diacetamide","Acta Crystallographica Section E","2005","61","2","o347","o348","10.1107/S1600536805001479","","","0.71073","MoKα","","0.0493","0.039","","","0.0951","0.1017","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205055","10.748","0.003","14.417","0.004","10.92","0.003","90","","111.28","0.004","90","","1576.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethyl [phenyl(pyridine-4-carboxamido)methyl]phosphonate","","- C15 H17 N2 O4 P -","- C15 H17 N2 O4 P -","- C60 H68 N8 O16 P4 -","4","1","DN6194","Fang, Hua; Fang, Mei-Juan; Liu, Xiao-Xia; Lin, Jing-Jing; Zhao, Yu-Fen","Dimethyl [phenyl(pyridine-4-carboxamido)methyl]phosphonate","Acta Crystallographica Section E","2005","61","2","o408","o409","10.1107/S1600536805001492","","","0.71073","MoKα","","0.0658","0.0603","","","0.1361","0.1394","","","","","","1.152","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205056","9.001","0.0018","9.551","0.0019","14.251","0.003","90","","102.94","0.03","90","","1194","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-3-[(1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione","","- C11 H10 N6 S -","- C11 H10 N6 S -","- C44 H40 N24 S4 -","4","1","DN6195","Fangfang Jian; Zhengshuai Bai; Kai Li; Hailian Xiao","4-Phenyl-3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1<i>H</i>-1,2,4-triazole-5-thione","Acta Crystallographica Section E","2005","61","2","o393","o395","10.1107/S1600536805001510","","","0.71073","MoKα","","0.0681","0.0335","","","0.0743","0.0841","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205057","8.086","0.004","10.635","0.005","14.519","0.007","90","","103.614","0.008","90","","1213.5","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Bis[(2E)-3-(N,N-dimethylamino)-1-(2-pyridyl)prop-2-en-1- one]diisothiocyanatonickel(II)","","- C22 H24 N6 Ni O2 S2 -","- C22 H24 N6 Ni O2 S2 -","- C44 H48 N12 Ni2 O4 S4 -","2","0.5","DN6198","Gai-Xian Li; Jian-Qing Li; Xu-Zhen Kang","<i>trans</i>-Bis[(2<i>E</i>)-3-(<i>N,N</i>-dimethylamino)-1-(2-pyridyl)prop-2-en-1-one]diisothiocyanatonickel(II)","Acta Crystallographica Section E","2005","61","2","m410","m411","10.1107/S1600536805002795","","","0.71073","MoKα","","0.1219","0.0696","","","0.1248","0.1449","","","","","","0.975","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205058","7.173","0.0014","12.267","0.003","7.868","0.0016","90","","100.75","0.03","90","","680.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methyl-2-thioxo-2,3-dihydrothiazol-3-yl 4-methylphenyl carbonate","","- C12 H11 N O3 S2 -","- C12 H11 N O3 S2 -","- C24 H22 N2 O6 S4 -","2","1","FL6139","Hartung, Jens; Schneiders, Nina; Bergsträsser, Uwe","4-Methyl-2-thioxo-2,3-dihydrothiazol-3-yl 4-methylphenyl carbonate","Acta Crystallographica Section E","2005","61","2","o421","o422","10.1107/S1600536805001431","","","0.71073","MoKα","","0.0915","0.0707","","","0.1383","0.1499","","","","","","1.135","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205059","7.5364","0.0012","9.9","0.0016","23.288","0.004","90","","90","","90","","1737.5","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","16α,17-Epoxypregn-4-ene-3,11,20-trione","17-acetyl-10,13-dimethyl-1,2,6,7,9,10,12,13,14,15,16, 17-dodecahydro-8H-20-oxa-cyclopropa[16,17]cyclopenta[a]phenanthrene-3,11-dione","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","FL6141","Nie, Qiang; Wang, Jingkang; Wang, Shi; Zhang, Meijing","16α,17-Epoxypregn-4-ene-3,11,20-trione","Acta Crystallographica Section E","2005","61","2","o398","o399","10.1107/S1600536805001443","","","0.71073","MoKα","","0.0524","0.0396","","","0.1023","0.1086","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205060","6.7128","0.0003","6.7911","0.0002","13.6379","0.0008","75.83","0.003","75.999","0.002","78.326","0.003","578.08","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","4-Aminopyridinium isonicotinate monohydrate","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C22 H26 N6 O6 -","2","1","FL6142","Kennedy, Alan R.; Kittner, Madeleine","4-Aminopyridinium isonicotinate monohydrate","Acta Crystallographica Section E","2005","61","2","o333","o334","10.1107/S1600536805000887","","","0.71073","MoKα","","0.0507","0.0359","","","0.0825","0.0903","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205061","14.473","0.003","6.994","0.001","17.2","0.003","90","","103.37","0.03","90","","1693.9","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-acetyl-4,6-dimethyl-1,2,3,4-tetrahydropyrimidin-2-one","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","1","GH6009","Zavodnik, Valery E.; Shutalev, Anatoly D.; Gurskaya, Galina V.; Stash, Adam I.; Tsirelson, Vladimir G.","5-Acetyl-4,6-dimethyl-1,2,3,4-tetrahydropyrimidin-2-one","Acta Crystallographica Section E","2005","61","2","o365","o367","10.1107/S1600536805000383","","","0.71073","MoKα","","0.052","0.0294","","","0.0919","0.0948","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205062","10.8364","0.0008","19.4649","0.0015","12.6722","0.001","90","","103.926","0.001","90","","2594.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-Bis(4-methoxyphenyl)-1-nitroso-3,5-diphenylpiperidin-4-one","2,6-Bis(4-methoxyphenyl)-1-nitroso-3,5-diphenylpiperidin-4-one","","- C31 H28 N2 O4 -","- C31 H28 N2 O4 -","- C124 H112 N8 O16 -","4","1","GH6010","S. Natarajan; R. V. Krishnakumar; M. Subha Nandhini; V. P. Alex Raja; S. Perumal; K. Ravikumar","2,6-Bis(4-methoxyphenyl)-1-nitroso-3,5-diphenylpiperidin-4-one","Acta Crystallographica Section E","2005","61","2","o359","o361","10.1107/S1600536805000954","","","0.71073","MoKα","","0.0689","0.0508","","","0.1376","0.1512","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205063","7.8006","0.0005","11.6289","0.0008","11.9121","0.0008","67.701","0.001","75.488","0.001","78.896","0.001","962.12","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(2-amino-4,6-dimethylpyrimidine)(nickel(II)thiocyante)","Tetraaquadithiocyanatonickel(II) tetrakis(2-amino-4,6-dimethylpyrimidine) dihydrate","","- C26 H48 N14 Ni O6 S2 -","- C26 H48 N14 Ni O6 S2 -","- C26 H48 N14 Ni O6 S2 -","1","0.5","HB6132","Madhukar Hemamalini; Packianathan Thomas Muthiah; Ray J. Butcher","Tetraaquadithiocyanatonickel(II) tetrakis(2-amino-4,6-dimethylpyrimidine) dihydrate","Acta Crystallographica Section E","2005","61","2","m204","m206","10.1107/S1600536804033884","","","0.71073","MoKα","","0.0652","0.0445","","","0.1065","0.1151","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205064","23.562","0.003","6.5271","0.0005","28.881","0.004","90","","108.863","0.01","90","","4203.1","0.9","296","1","296","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[μ-2,8-Dimethyl-5,11-bis(dimethylaminoethyl)-1,4,5,6,7,10,11,12- octahydrodiimidazo[4,5-h;4,5-c][1,6]diazecine]bis[aquacopper(II)] diacetate hexahydrate","","- C28 H64 Cu2 N8 O16 -","- C28 H64 Cu2 N8 O16 -","- C112 H256 Cu8 N32 O64 -","4","0.5","HB6133","Gasque, Laura; Olguín, Juan; Bernès, Sylvain","[μ-2,8-Dimethyl-5,11-bis(dimethylaminoethyl)-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-<i>h</i>;4,5-<i>c</i>][1,6]diazecine]bis[aquacopper(II)] diacetate hexahydrate","Acta Crystallographica Section E","2005","61","2","m274","m276","10.1107/S1600536805000206","","","0.71073","MoKα","","0.0408","0.032","","","0.0878","0.0927","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205065","10.715","0.002","9.2","0.001","11.692","0.002","90","","92.02","0.04","90","","1151.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(Benzoylthiocarbonyl)morpholine","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","1","HB6134","Liu, Wei-Wei; Li, Yi-Zhi; Kong, Ling-Dong; Hu, Hong-Wen","4-(Benzoylthiocarbonyl)morpholine","Acta Crystallographica Section E","2005","61","2","o295","o297","10.1107/S1600536805000449","","","0.71073","MoKα","","0.0935","0.057","","","0.0987","0.1077","","","","","","1.095","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205066","12.2038","0.0004","12.6561","0.0004","16.9518","0.0006","90","","95.714","0.001","90","","2605.24","0.15","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(bromomaleatoκ-O)bis(phenanthroline-κ^2^N,N')manganese(II) monohydrate","","- C28 H21 Br Mn N4 O6 -","- C28 H21 Br Mn N4 O6 -","- C112 H84 Br4 Mn4 N16 O24 -","4","1","HB6135","Dai-Xi Li; Duan-Jun Xu; Yuan-Zhi Xu","Aqua(bromomaleato-κ<i>O</i>)bis(phenanthroline-κ^2^<i>N,N</i>')manganese(II) monohydrate","Acta Crystallographica Section E","2005","61","2","m271","m273","10.1107/S1600536805000486","","","0.71073","MoKα","","0.054","0.032","","","0.075","0.081","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205067","6.873","0.005","9.721","0.005","15.523","0.002","90","","96.49","0.01","90","","1030.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-oxopyridinato N-oxide-κ^2^O,O')copper(II)","","- C10 H8 Cu N2 O4 -","- C10 H8 Cu N2 O4 -","- C40 H32 Cu4 N8 O16 -","4","1","HB6136","Xu, Li; Li, Yi-Zhi; Liu, San-Hui; Chen, Xue-Tai; Zhou, Jian-Hao","Bis(2-oxopyridinatoN-oxide-κ^2^O,O')copper(II)","Acta Crystallographica, Section E: Structure Reports Online","2005","61","2","m364","m366","10.1107/s1600536805001819","","","0.71073","MoKα","","0.0512","0.0438","","","0.1094","0.1129","","","","","","0.989","","","","has coordinates","219069","2020-10-21","18:00:00",""
"2205068","8.343","0.002","12.302","0.003","17.54","0.004","98.82","0.03","102.77","0.03","97.7","0.03","1708.4","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(2,2'-bipyridine)(3-carboxy-4-hydroxybenzenesulfonato)copper(II) 3-carboxy-4-hydroxybenzenesulfonate","","- C34 H26 Cu N4 O12 S2 -","- C34 H26 Cu N4 O12 S2 -","- C68 H52 Cu2 N8 O24 S4 -","2","1","HB6137","Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","Bis(2,2'-bipyridine)(3-carboxy-4-hydroxybenzenesulfonato)copper(II) 3-carboxy-4-hydroxybenzenesulfonate","Acta Crystallographica Section E","2005","61","2","m290","m292","10.1107/S1600536805000590","","","0.71073","MoKα","","0.143","0.067","","","0.122","0.147","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205069","14.35","0.004","5.306","0.0009","12.672","0.005","90","","109.96","0.02","90","","906.9","0.5","200","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium hydrogen (RS)-phenylsuccinate","","- C10 H9 Li O4 -","- C10 H9 Li O4 -","- C40 H36 Li4 O16 -","4","1","HB6138","Fischer, Andreas","Lithium hydrogen (<i>RS</i>)-phenylsuccinate","Acta Crystallographica Section E","2005","61","2","m320","m322","10.1107/S1600536805001017","","","0.71073","MoKα","","0.0765","0.05","","","0.1142","0.13","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205070","17.6227","0.0009","11.3661","0.0005","17.1939","0.0007","90","","110.011","0.002","90","","3236","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[bis(μ-4-cyanobenzoato-κ^2^O:O)bis[(4-cyanobenzoato- κ^2^O,O')cobalt(II)]]-di-μ-4,4'-bipyridine-κ^4^N:N'] dihydrate dimethylformamide tetrasolvate]","","- C64 H64 Co2 N12 O14 -","- C64 H64 Co2 N12 O14 -","- C128 H128 Co4 N24 O28 -","2","0.5","HB6139","He, Hong-Yin; Zhu, Long-Guan; Ng, Seik Weng","<i>catena</i>-Poly[[[bis(μ-4-cyanobenzoato-κ^2^<i>O</i>:<i>O</i>)bis[(4-cyanobenzoato-κ^2^<i>O,O</i>')cobalt(II)]]-di-μ-4,4'-bipyridine-κ^4^<i>N</i>:<i>N</i>'] dihydrate dimethylformamide tetrasolvate]","Acta Crystallographica Section E","2005","61","2","m311","m313","10.1107/S1600536805001054","","","0.71073","MoKα","","0.083","0.065","","","0.175","0.188","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205071","13.4146","0.0009","10.2135","0.0008","7.8627","0.0006","90","","95.295","0.005","90","","1072.67","0.14","150","1","150","1","","","","","","","","5","C 1 c 1","C -2yc","9","","Methylchlorosila[1]ferrocenophane","","- C11 H11 Cl Fe Si -","- C11 H11 Cl Fe Si -","- C44 H44 Cl4 Fe4 Si4 -","4","1","HB6140","Chan, Wing Yan; Lough, Alan J.; Manners, Ian","Methylchlorosila[1]ferrocenophane","Acta Crystallographica Section E","2005","61","2","m375","m376","10.1107/S1600536805001352","","","0.71073","MoKα","","0.0478","0.0389","","","0.0909","0.0976","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205072","6.9687","0.0008","11.4468","0.0012","12.687","0.0013","110.396","0.002","100.042","0.002","100.915","0.002","899.1","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","8-Hydroxyquinolinium hemi(dibromosuccinate) dibromosuccinic acid","","- C30 H26 Br6 N2 O14 -","- C30 H26 Br6 N2 O14 -","- C30 H26 Br6 N2 O14 -","1","0.5","HB6142","Dai-Xi Li; Duan-Jun Xu; Yuan-Zhi Xu","8-Hydroxyquinolinium‒dibromosuccinate‒dibromosuccinic acid (2/1/2)","Acta Crystallographica Section E","2005","61","2","o402","o404","10.1107/S1600536805001704","","","0.71073","MoKα","","0.093","0.064","","","0.147","0.17","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205073","14.187","0.006","19.218","0.008","8.139","0.004","90","","108.061","0.007","90","","2109.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ethylenediammonium diaquabis(ethylenediamine-κ^2^N,N')zinc(II) bis(pyridine-2,6-dicarboxylato-κ^3^,O,N,O')zincate(II) dihydrate","","- C34 H46 N10 O20 Zn3 -","- C34 H46 N10 O20 Zn3 -","- C68 H92 N20 O40 Zn6 -","2","0.25","HB6143","Fu, Ai-Yun; Wang, Da-Qi; Sun, De-Zhi","Ethylenediammonium diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II) bis(pyridine-2,6-dicarboxylato-κ^3^,<i>O</i>,<i>N</i>,<i>O</i>')zincate(II) dihydrate","Acta Crystallographica Section E","2005","61","2","m401","m403","10.1107/S1600536805002576","","","0.71073","MoKα","","0.0893","0.0444","","","0.0681","0.0743","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205074","6.997","0.001","14.221","0.003","18.355","0.004","90","","90","","90","","1826.4","0.6","295","2","295","2","","","","","","","","6","P n n m","-P 2 2n","58","","[N,N'-Ethylenebis(salicylideneiminato)]nickel(II) chloroform solvate","","- C17 H15 Cl3 N2 Ni O2 -","- C17 H15 Cl3 N2 Ni O2 -","- C68 H60 Cl12 N8 Ni4 O8 -","4","0.5","HB6145","Cheng, Xiao-Li; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","[<i>N</i>,<i>N</i>'-Ethylenebis(salicylideneiminato)]nickel(II) chloroform solvate","Acta Crystallographica Section E","2005","61","2","m385","m386","10.1107/S1600536805002187","","","0.71073","MoKα","","0.054","0.046","","","0.141","0.147","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205075","8.9669","0.0006","9.0527","0.0006","16.295","0.001","86.608","0.001","78.84","0.001","86.593","0.001","1293.9","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Bis[di-2-pyridyl(hydroxy)methanolato-κ^3^O,N,N')]iron(III) tetrafluoroborate trihydrate","","- C22 H24 B F4 Fe N4 O7 -","- C22 H24 B F4 Fe N4 O7 -","- C44 H48 B2 F8 Fe2 N8 O14 -","2","1","HB6146","Onggo, Djulia; Mimin, Aminah; Yamin, Bohari M.; Ng, Seik Weng","Bis[di-2-pyridyl(hydroxy)methanolato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>']iron(III) tetrafluoroborate trihydrate","Acta Crystallographica Section E","2005","61","2","m387","m388","10.1107/S1600536805002369","","","0.71073","MoKα","","0.086","0.067","","","0.161","0.172","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205076","29.1857","0.0011","9.8249","0.0004","12.0285","0.0005","90","","101.902","0.002","90","","3375","0.2","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","p-bromophenylboronic acid","4-bromophenylboronic acid'","","- C6.08 H6.24 B Br O2.04 -","- C6.08 H6.24 B Br O2.04 -","- C97.28 H99.84 B16 Br16 O32.64 -","16","2","HG6113","Bhuvanesh, Nattamai S. P.; Reibenspies, Joseph H.","4-Bromophenylboronic acid ethanol 0.04-solvate","Acta Crystallographica Section E","2005","61","2","o362","o364","10.1107/S1600536804033744","","","1.54178","CuKα","","0.0645","0.0495","","","0.138","0.1487","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205077","8.185","0.002","14.756","0.003","15.092","0.005","90","","121.73","0.02","90","","1550.3","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Methoxyphenyl)-2-(6-methyl-2-nitro-3-pyridyloxy)propan-1-one","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","HG6119","Vencato, Ivo; Ferri, Pedro H.; Santos, Suzana C.; Pereira, Maristela; Lariucci, Carlito; Homar, Leon I. B.; Napolitano, Hamilton B.","1-(4-Methoxyphenyl)-2-(6-methyl-2-nitro-3-pyridyloxy)propan-1-one","Acta Crystallographica Section E","2005","61","2","o247","o249","10.1107/S1600536804032301","","","0.71073","MoKα","","0.102","0.052","","","0.134","0.162","","","","","","1.04","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205078","4.2065","0.0002","5.1845","0.0002","38.9371","0.0018","90","","91.723","0.002","90","","848.78","0.07","190","","190","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","n-Octanol","","- C8 H18 O -","- C8 H18 O -","- C32 H72 O4 -","4","1","HG6120","Shallard-Brown, Howard A.; Watkin, David J.; Cowley, Andrew R.","<i>n</i>-Octanol","Acta Crystallographica Section E","2005","61","2","o213","o214","10.1107/S1600536804032775","","","0.71073","MoKα","","0.1254","0.1254","","0.1565","0.1565","0.1565","","","","","","0.9944","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205079","19.089","0.003","8.4715","0.0011","23.161","0.003","90","","90.315","0.002","90","","3745.4","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(Benzotriazol-1-yl)-2-(α-hydroxybenzyl)-N-phenylthioacrylamide","","- C21 H16 N4 O S -","- C21 H16 N4 O S -","- C168 H128 N32 O8 S8 -","8","1","HG6121","Liu, Fa-Qian; Li, Wei-Hua; Lu, Lu-De; Yang, Xu-Jie; Wang, Xin; Bao-Rong Hou","2-(Benzotriazol-1-yl)-2-(α-hydroxybenzyl)-<i>N</i>-phenylthioacrylamide","Acta Crystallographica Section E","2005","61","2","o208","o209","10.1107/S1600536804033768","","","0.71073","MoKα","","0.0772","0.0395","","","0.107","0.1208","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205080","9.463","0.0017","12.879","0.002","16.44","0.003","90","","105.802","0.003","90","","1927.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(1-phenyl-1H-tetrazol-5-ylsulfanyl)butane","","- C18 H18 N8 S2 -","- C18 H18 N8 S2 -","- C72 H72 N32 S8 -","4","1","HG6123","Wang, Wei; Liu, Hui-Min; Zhang, Wen-Qin","1,4-Bis(1-phenyl-1<i>H</i>-tetrazol-5-ylsulfanyl)butane","Acta Crystallographica Section E","2005","61","2","o206","o207","10.1107/S1600536804033756","","","0.71073","MoKα","","0.0575","0.0377","","","0.0955","0.1086","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205081","13.68","0.009","6.916","0.005","19.968","0.014","90","","108.292","0.011","90","","1794","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N3 O3 -","- C19 H21 N3 O3 -","- C76 H84 N12 O12 -","4","1","HG6125","Zhang, Xin-Li; Li, Zong-Xiao","4-[(4-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one methanol solvate","Acta Crystallographica Section E","2005","61","2","o266","o268","10.1107/S1600536804034324","","","0.71073","MoKα","","0.1228","0.0484","","","0.1102","0.1418","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205082","3.9117","0.0009","17.232","0.004","13.686","0.003","90","","97.116","0.004","90","","915.4","0.4","273","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Amino-1H-3,1-benzothiazine-2,4-dithione","","- C8 H6 N2 S3 -","- C8 H6 N2 S3 -","- C32 H24 N8 S12 -","4","1","HG6127","Yu, Yun; Zhong, Hui-Ping; Yang, Kai-Bin; Huang, Rong-Bin; Zheng, Lan-Sun","7-Amino-1<i>H</i>-3,1-benzothiazine-2,4-dithione","Acta Crystallographica Section E","2005","61","2","o387","o388","10.1107/S1600536805000772","","","0.71073","MoKα","","0.0665","0.0589","","","0.1547","0.1602","","","","","","1.136","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205083","5.841","0.0005","13.363","0.0011","15.325","0.0017","90","","90","","90","","1196.17","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-Chlorophenyl thiobenzoate","4-Chlorophenyl thiobenzoate","","- C13 H9 Cl O S -","- C13 H9 Cl O S -","- C52 H36 Cl4 O4 S4 -","4","1","HG6128","T. Bhupathi Ganesh; A. Dhakshinamoorthy; K. Pitchumani; S. Athimoolam; B. Sridhar; R. K. Rajaram","4-Chlorophenyl thiobenzoate","Acta Crystallographica Section E","2005","61","2","o340","o342","10.1107/S1600536805000966","","","0.71073","MoKα","","0.0714","0.0371","","","0.0853","0.0964","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205084","9.4446","0.0001","12.4158","0.0001","15.0802","0.0002","72.645","0.001","78.207","0.001","77.39","0.001","1628.61","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1,1,3,3-Tetraphenyl-1,2,3-triphosphenium tetrachloroaluminate dichloromethane solvate","","- C28 H28 Al Cl6 P3 -","- C28 H28 Al Cl6 P3 -","- C56 H56 Al2 Cl12 P6 -","2","1","HG6130","Deng, Robert M. K.; Dillon, Keith B.; Goeta, Andrés E.; Thompson, Amber L.","1,1,3,3-Tetraphenyl-1,2,3-triphosphenium tetrachloroaluminate dichloromethane solvate","Acta Crystallographica Section E","2005","61","2","m296","m298","10.1107/S1600536805000656","","","0.71073","MoKα","","0.0323","0.0288","","","0.0727","0.0753","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205085","24.002","0.004","10.9833","0.0017","24.364","0.003","90","","90","","90","","6422.9","1.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sildenafil citrate monohydrate","1-{[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)- 4-ethoxyphenyl]sulfonyl}-4-methylpiperazinium citrate monohydrate","","- C28 H40 N6 O12 S -","- C28 H40 N6 O12 S -","- C224 H320 N48 O96 S8 -","8","1","HG6131","Yathirajan, Hemmige S.; Basavegowda, Nagaraj; Nagaraja, Padmarajaiah; Bolte, Michael","Sildenafil citrate monohydrate","Acta Crystallographica Section E","2005","61","2","o489","o491","10.1107/S1600536805002564","","","0.71073","MoKα","","0.1743","0.0785","","","0.1364","0.1543","","","","","","0.782","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205086","22.759","0.004","5.5729","0.0009","8.3902","0.0014","90","","90.929","0.002","90","","1064","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-(4-Hydroxyphenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","HG6135","Fa-Qian Liu; Wei-Hua Li; Hai-Bin Song; Lu-De Lu; Xu-Jie Yang; Xin Wang","1-(4-Hydroxyphenyl)-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one","Acta Crystallographica Section E","2005","61","2","o400","o401","10.1107/S1600536805001169","","","0.71073","MoKα","","0.0415","0.0296","","","0.071","0.0761","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205087","7.298","0.001","7.298","0.001","16.56","0.003","90","","90","","120","","763.8","0.2","123","2","123","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","1,4,7-triazacyclononane hemihydrate","","- C6 H16 N3 O0.5 -","- C6 H16 N3 O0.5 -","- C24 H64 N12 O2 -","4","0.333333","IS6022","Battle, Andrew R.; Johnson, Daniel L.; Martin, Lisandra L.","1,4,7-Triazacyclononane hemihydrate","Acta Crystallographica Section E","2005","61","2","o330","o332","10.1107/S1600536805000814","","","0.71073","MoKα","","","0.0485","","","","0.1398","","","","","","1.118","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2205088","4.473","0.001","14.772","0.005","18.263","0.002","79.38","0.02","88.78","0.01","86.33","0.02","1183.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-[(4-Hydroxy-3-methoxyphenyl)methylenehydrazinocarbonyl]-(1H)-1,2,4-Triazole","","- C11 H11 N5 O3 -","- C11 H11 N5 O3 -","- C44 H44 N20 O12 -","4","2","IS6028","Fu-You Pan; Jian-Guo Yang","3-[<i>N</i>'-(4-Hydroxy-3-methoxybenzylidene)hydrazinocarbonyl]-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2005","61","2","o503","o505","10.1107/S1600536804034269","","","0.71073","MoKα","","0.1089","0.0432","","","0.1108","0.1401","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205089","14.3741","0.0004","14.1573","0.0004","17.9269","0.0005","90","","91.328","0.001","90","","3647.12","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaquatetra(dimethylacetamide-κO)neodymium(III) hexacyanoferrate(III) trihydrate","","- C22 H50 Fe N10 Nd O11 -","- C22 H50 Fe N10 Nd O11 -","- C88 H200 Fe4 N40 Nd4 O44 -","4","1","IS6031","Overgaard, Jacob; Svendsen, Helle; Chevalier, Marie A.; Iversen, Bo B.","Tetraaquatetrakis(dimethylacetamide-κ<i>O</i>)neodymium(III) hexacyanoferrate(III) trihydrate","Acta Crystallographica Section E","2005","61","2","m268","m270","10.1107/S1600536805000577","","","0.71073","MoKα","","0.0374","0.0243","","","0.0646","0.0679","","","","","","1.074","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2205090","14.896","0.003","5.968","0.0011","18.894","0.004","90","","95.752","0.004","90","","1671.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-tert-Butyl-3-(α-Hydroxy-4-isopropylbenzylidene)pyrrolidine-2,4-dione","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","IS6032","Hai-Zhen Xu; Xin Zhang; Xiao-Jun Zhao; Gui-Sheng Yu","1-<i>tert</i>-Butyl-3-(α-hydroxy-4-isopropylbenzylidene)pyrrolidine-2,4-dione","Acta Crystallographica Section E","2005","61","2","o292","o294","10.1107/S1600536805000589","","","0.71073","MoKα","","0.1166","0.0609","","","0.1652","0.2068","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205091","16.884","0.003","5.873","0.002","13.135","0.003","90","","108.38","0.01","90","","1236","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(2-Chlorobenzylidene)-2-hydroxybenzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","IS6033","Fu-You Pan; Jian-Guo Yang","<i>N</i>'-(2-Chlorobenzylidene)-2-hydroxybenzohydrazide","Acta Crystallographica Section E","2005","61","2","o354","o355","10.1107/S1600536805000735","","","0.71073","MoKα","","0.1862","0.0438","","","0.1002","0.1401","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205092","9.5485","0.0016","8.2197","0.0013","25.94","0.004","90","","90","","90","","2035.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-Acetyl-3'-chloroacetanilide","N-(3-chlorophenyl)-3-oxobutanamide","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C80 H80 Cl8 N8 O16 -","8","1","IS6034","Tai, Xi-Shi; Liu, Wan-Yi; Liu, Yan-Zhen; Li, Yi-Zhi","2-Acetyl-3'-chloroacetanilide","Acta Crystallographica Section E","2005","61","2","o389","o390","10.1107/S1600536805001145","","","0.71073","MoKα","","0.0844","0.0413","","","0.0678","0.0748","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205093","8.3294","0.0006","22.4059","0.0016","14.5461","0.0011","90","","102.241","0.001","90","","2653","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-Bipyridinium‒5-nitroisophthalate‒5-nitroisophthalic acid‒water (1/1/1/2)","","- C26 H22 N4 O14 -","- C26 H22 N4 O14 -","- C104 H88 N16 O56 -","4","1","IS6035","Di-Mei Chen; Xin-Hua Li; Hong-Ping Xiao; Mao-Lin Hu","2,2'-Bipyridinium 5-nitroisophthalate 5-nitroisophthalic acid dihydrate","Acta Crystallographica Section E","2005","61","2","o317","o319","10.1107/S1600536805000759","","","0.71073","MoKα","","0.0844","0.0732","","","0.1511","0.1569","","","","","","1.228","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205095","9.8406","0.0006","10.1729","0.0006","15.2354","0.0009","73.5009","0.0013","84.7304","0.0014","80.783","0.0013","1441.76","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aquabis(2,2'-bipyridine)(3-carboxylato-4-hydroxybenzenesulfonato)manganese(II) dihydrate","","- C27 H26 Mn N4 O9 S -","- C27 H26 Mn N4 O9 S -","- C54 H52 Mn2 N8 O18 S2 -","2","1","IS6038","Fan, Sai-Rong; Zhu, Long-Guan; Xiao, Hong-Ping; Ng, Seik Weng","Aquabis(2,2'-bipyridine)(3-carboxylato-4-hydroxybenzenesulfonato)manganese(II) dihydrate","Acta Crystallographica Section E","2005","61","2","m377","m378","10.1107/S1600536805002321","","","0.71073","MoKα","","0.059","0.048","","","0.119","0.125","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205096","9.3627","0.0012","9.61","0.0013","11.7698","0.0015","87.956","0.003","72.496","0.002","79.561","0.002","993","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tetramethylpyrazinium‒trichloroacetate‒trichloroacetic acid (1/1/1)","","- C12 H14 Cl6 N2 O4 -","- C12 H14 Cl6 N2 O4 -","- C24 H28 Cl12 N4 O8 -","2","1","IS6039","Di-Mei Chen; Feng-Yi Xia; Mao-Lin Hu; Li Li; Zhi-Min Jin","2,3,5,6-Tetramethylpyrazinium‒trichloroacetate‒trichloroacetic acid (1/1/1)","Acta Crystallographica Section E","2005","61","2","o419","o420","10.1107/S1600536805001741","","","0.71073","MoKα","","0.0719","0.0631","","","0.1769","0.1853","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205097","9.9505","0.0014","11.1049","0.0014","12.1187","0.0014","74.621","0.002","66.75","0.002","89.352","0.002","1179.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","μ-Terephthalato-bis[bis(2,2'-bipyridine)copper(II)] diperchlorate dihydrate","","- C48 H40 Cl2 Cu2 N8 O14 -","- C48 H40 Cl2 Cu2 N8 O14 -","- C48 H40 Cl2 Cu2 N8 O14 -","1","0.5","IS6040","Sai-Zhen Yang; Xin-Hua Li","μ-Terephthalato-bis[bis(2,2'-bipyridine)copper(II)] bis(perchlorate) dihydrate","Acta Crystallographica Section E","2005","61","2","m356","m357","10.1107/S1600536805001753","","","0.71073","MoKα","","0.0496","0.0448","","","0.1193","0.1233","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2205098","4.7477","0.0005","5.568","0.0011","44.455","0.005","87.619","0.013","87.92","0.009","77.733","0.011","1146.9","0.3","296","1","","","","","","","","","","3","P -1","-P 1","2","","Henicosane-1,21-dithiol","","- C21 H44 S2 -","- C21 H44 S2 -","- C42 H88 S4 -","2","1","IS6041","Naotake Nakamura; Hirotaka Shimizu; Yoshihiro Ogawa","Henicosane-1,21-dithiol","Acta Crystallographica Section E","2005","61","2","o450","o452","10.1107/S1600536805002400","","","1.5418","CuKα","","","0.056","","","","0.123","","","","","","1.001","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205099","19.9073","0.0015","10.2232","0.0005","11.0723","0.0007","90","","104.705","0.002","90","","2179.6","0.2","295","3","295","3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4-hydroxybenzoato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')copper(II)","","- C26 H18 Cu N2 O6 -","- C26 H18 Cu N2 O6 -","- C104 H72 Cu4 N8 O24 -","4","0.5","IS6042","Jian-Rong Su; Jian-Ming Gu; Duan-Jun Xu","Bis(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2005","61","2","m379","m381","10.1107/S1600536805002333","","","0.71073","MoKα","","0.049","0.039","","","0.104","0.109","","","","","","0.988","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205100","11.33","0.002","6.9142","0.0013","17.913","0.003","90","","107.145","0.003","90","","1340.9","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","4,5,9,14-Tetramethyl-19-norcholest-24-en-3-one","4,5,9,14-Tetramethyl-19-norcholest-24-en-3-one","","- C30 H50 O -","- C30 H50 O -","- C60 H100 O2 -","2","1","KP6020","Liu, Ke-Yue; Gao, Wen-Yuan; Zhang, Tie-Jun; Chen, Hai-Xia; Surname, Zhou-Bin","4,5,9,14-Tetramethyl-19-norcholest-24-en-3-one","Acta Crystallographica Section E","2005","61","2","o391","o392","10.1107/S1600536805000875","","","0.71073","MoKα","","0.091","0.0482","","","0.1131","0.1366","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205101","13.02","0.006","6.608","0.003","15.119","0.007","90","","113.109","0.007","90","","1196.4","1","293","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-fluoro-3-(4-piperidinio)benz[d]isoxazole chloride","","- C12 H14 Cl F N2 O -","- C12 H14 Cl F N2 O -","- C48 H56 Cl4 F4 N8 O4 -","4","1","KP6027","Yathirajan, H. S.; Narasimhamurthy, T.; Nagaraj, B.; Nagaraja, P.; Narasegowda, R. S.; Rathore, Ravindranath S.","N—H^+^···Cl^{-^} and C—H···O interactions in 6-fluoro-3-(4-piperidinio)benz[<i>d</i>]isoxazole chloride","Acta Crystallographica Section E","2005","61","2","o356","o358","10.1107/S1600536805000899","","","0.71073","MoKα","","0.0472","0.0422","","","0.1116","0.1155","","","","","","1.096","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205102","10.247","0.002","12.387","0.003","21.858","0.002","90","","90.59","0.01","90","","2774.3","0.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Benzoylacetone 4-methoxybenzoylhydrazonato-κ^3^O,N,O')(N- benzoylhydroxylaminato-κ^2^O,O')oxovanadium(IV)","","- C31 H26 N3 O6 V -","- C31 H26 N3 O6 V -","- C124 H104 N12 O24 V4 -","4","1","KP6031","Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","(Benzoylacetone 4-methoxybenzoylhydrazonato-κ^3^<i>O,N,O</i>')(<i>N</i>-benzoylhydroxylaminato-κ^2^<i>O,O</i>')oxovanadium(IV)","Acta Crystallographica Section E","2005","61","2","m325","m326","10.1107/S1600536805000929","","","0.71073","MoKα","","0.047","0.036","","","0.105","0.11","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2205103","17.2129","0.0009","13.501","0.0007","11.3932","0.0006","90","","103.979","0.001","90","","2569.3","0.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(5-bromo-N-cyclohexylsalicylideneaminato-κ^2^N,O)nickel(II)","","- C26 H30 Br2 N2 Ni O2 -","- C26 H30 Br2 N2 Ni O2 -","- C104 H120 Br8 N8 Ni4 O8 -","4","0.5","KP6032","Sun, Yu-Xi; Ng, Seik Weng","Bis(5-bromo-<i>N</i>-cyclohexylsalicylideneaminato-κ^2^<i>N,O</i>)nickel(II)","Acta Crystallographica Section E","2005","61","2","m323","m324","10.1107/S1600536805000930","","","0.71073","MoKα","","0.044","0.033","","","0.084","0.091","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205104","11.663","0.002","11.695","0.002","18.348","0.004","90","","105.38","0.03","90","","2413","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-2,3-Bis(2-phenylindozin-3-yl)-2-butenedinitrile","","- C32 H20 N4 -","- C32 H20 N4 -","- C128 H80 N16 -","4","1","KP6033","Liu, Wei-Wei; Li, Yi-Zhi; Sun, Run-Kun; Hu, Hong-Wen; Wu, Qiang-Jin; Huang, Zi-Xiang","(<i>Z</i>)-2,3-Bis(2-phenylindolizin-3-yl)-2-butenedinitrile","Acta Crystallographica Section E","2005","61","2","o445","o447","10.1107/S1600536805001820","","","0.71073","MoKα","","0.1049","0.0648","","","0.1265","0.1371","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205105","10.433","0.001","7.458","0.001","7.238","0.001","90","","113.3","0.02","90","","517.25","0.14","14","","14","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3,5-triazine-2,4,6-triamine","","- C3 H6 N6 -","- C3 H6 N6 -","- C12 H24 N24 -","4","1","LH6307","Cousson, A.; Nicolaï, B.; Fillaux, F.","Melamine (1,3,5-triazine-2,4,6-triamine): a neutron diffraction study at 14K","Acta Crystallographica Section E","2005","61","2","o222","o224","10.1107/S160053680403332X","","neutron","0.831","neutron","","0.0557","0.0467","","0.0438","0.0434","0.0434","","","","","","1.1111","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205106","18.7","0.003","19.717","0.004","15.728","0.003","90","","114.45","0.01","90","","5279","1.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Aqua{2-[(E)-3,5-dibromo-2-oxidobenzylideneamino]ethanesulfonato}(1,10- phenanthroline)zinc(II) ethanol solvate","","- C23 H23 Br2 N3 O6 S Zn -","- C23 H23 Br2 N3 O6 S Zn -","- C184 H184 Br16 N24 O48 S8 Zn8 -","8","1","LH6315","Shu-Hua Zhang; Yi-Min Jiang; Kai-Bei Yu","Aqua{2-[(<i>E</i>)-3,5-dibromo-2-oxidobenzylideneamino]ethanesulfonato}(1,10-phenanthroline)zinc(II) ethanol solvate","Acta Crystallographica Section E","2005","61","2","m209","m211","10.1107/S1600536804033562","","","0.71073","MoKα","","0.0865","0.034","","","0.0572","0.0623","","","","","","0.825","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205107","9.826","0.003","8.235","0.002","16.073","0.005","90","","95.857","0.005","90","","1293.8","0.6","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mercury dibromide bis-oxypyridine","(2,2'-Bipyridine N,N'-dioxide-κ^2^O,O')dibromo-mercury(II)","","- C10 H8 Br2 Hg N2 O2 -","- C10 H8 Br2 Hg N2 O2 -","- C40 H32 Br8 Hg4 N8 O8 -","4","1","LH6337","Tedmann, Onyango M.; Zavalij, Peter Y.; Madan, Stanley K.; Oliver, Scott R.J.","(2,2'-Bipyridine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>,<i>O</i>')dibromomercury(II)","Acta Crystallographica Section E","2005","61","2","m212","m213","10.1107/S1600536804033690","","","0.71073","MoKα","","0.0669","0.0418","","","0.0991","0.1128","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205108","9.433","0.004","15.69","0.007","10.024","0.005","90","","108.998","0.006","90","","1402.8","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Mercury diiodide bis-oxypyridine","(2,2'-Bypiridine N,N'-dioxide-κ^2^O,O')diiodinemercury(II)","","- C10 H8 Hg I2 N2 O2 -","- C10 H8 Hg I2 N2 O2 -","- C40 H32 Hg4 I8 N8 O8 -","4","1","LH6338","Tedmann, Onyango M.; Zavalij, Peter Y.; Madan, Stanley K.; Oliver, Scott R.J.","(2,2'-Bipyridine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>,<i>O</i>')diiodomercury(II)","Acta Crystallographica Section E","2005","61","2","m214","m216","10.1107/S1600536804033707","","","0.71073","MoKα","","0.1003","0.0541","","","0.0606","0.0686","","","","","","0.86","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205109","27.612","0.0002","7.947","0.0003","5.977","0.001","90","","90","","90","","1311.5","0.2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","p-methylphenyl p-toluenesulfonate","4-methylphenyl 4-toluenesulfonate","","- C14 H14 O3 S -","- C14 H14 O3 S -","- C56 H56 O12 S4 -","4","1","LH6339","Vadivelu Manivannan; Nagarajan Vembu; Maruthai Nallu; Kandasamy Sivakumar; Fronczek, Frank R.","4-Methylphenyl 4-toluenesulfonate: supramolecular aggregation through weak C—H···O and C—H···π interactions","Acta Crystallographica Section E","2005","61","2","o242","o244","10.1107/S1600536804033343","","","0.71073","MoKα","","0.0744","0.0389","","","0.0779","0.0833","","","","","","0.852","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205110","5.36","0.009","8.697","0.014","27.46","0.05","90","","90.17","0.03","90","","1280","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorophenyl)-3-hydroxy-1-phenylpropan-1-one","","- C15 H13 Cl O2 -","- C15 H13 Cl O2 -","- C60 H52 Cl4 O8 -","4","1","LH6340","Yu, Zhifang; Gu, Xiuyan; Zhao, Bing; Tian, Zhongzhen","3-(4-Chlorophenyl)-3-hydroxy-1-phenylpropan-1-one","Acta Crystallographica Section E","2005","61","2","o225","o226","10.1107/S1600536804033719","","","0.71073","MoKα","","0.0776","0.0453","","","0.1371","0.1668","","","","","","1.065","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205111","24.321","0.003","5.0468","0.0005","8.6066","0.0008","90","","90","","90","","1056.4","0.19","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-(p-Nitrobenzyl)-1,3-thiazolidine-2,4-dione","","- C10 H8 N2 O4 S -","- C10 H8 N2 O4 S -","- C40 H32 N8 O16 S4 -","4","1","LH6342","Yathirajan, Hemmige S.; Rai, Kuriya M. Lokanatha; Gaonkar, Santhosh L.; Narasegowda, Rajenahally S.; Prabhuswamy, Basappa; Bolte, Michael","3-(<i>p</i>-Nitrobenzyl)-1,3-thiazolidine-2,4-dione","Acta Crystallographica Section E","2005","61","2","o245","o246","10.1107/S1600536804033951","","","0.71073","MoKα","","0.0514","0.0483","","","0.1212","0.1235","","","","","","1.018","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205112","19.4607","0.001","10.5889","0.0015","9.0394","0.0012","90","","99.948","0.008","90","","1834.7","0.4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Decylphenyl)pyridin-4(1H)-one","","- C21 H29 N O -","- C21 H29 N O -","- C84 H116 N4 O4 -","4","1","LH6343","Li, Chenguang; Wolf, Jeremy R.; Dyer, Daniel J.; Robinson, Paul D.","1-(4-Decylphenyl)pyridin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","2","o233","o235","10.1107/S1600536804033963","","","0.71069","MoKα","","0.127","0.038","","","0.098","0.129","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205113","15.83","0.001","9.785","0.0008","30.02","0.002","90","","96.533","0.002","90","","4619.8","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[μ-3,5-bis(2-pyridyl)-4-(4-isopropylphenyl)-4H-1,2,4-triazole[disilver(I) diperchlorate acetonitrile solvate","","- C44 H41 Ag2 Cl2 N11 O8 -","- C44 H41 Ag2 Cl2 N11 O8 -","- C176 H164 Ag8 Cl8 N44 O32 -","4","0.5","LH6344","You, Zhong-Lu; Shao, Si-Chang; Zhang, Shu-Ping; Zhu, Hai-Liang; Ng, Seik Weng","Bis[μ-3,5-bis(2-pyridyl)-4-(4-isopropylphenyl)-4<i>H</i>-1,2,4-triazole]disilver(I) diperchlorate acetonitrile solvate","Acta Crystallographica Section E","2005","61","2","m265","m267","10.1107/S1600536805000243","","","0.71073","MoKα","","0.096","0.053","","","0.122","0.15","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205114","9.695","0.002","17.266","0.004","23.543","0.004","90","","90","","90","","3941","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","β-Methyl-γ-bis(N,O-8-quinolinoxy)germa-γ-lactone","","- C22 H18 Ge N2 O4 -","- C22 H18 Ge N2 O4 -","- C176 H144 Ge8 N16 O32 -","8","1","LH6346","Mahboob, Sumera; Parvez, Masood; Mazhar, Muhammad; Ali, Saqib","β-Methyl-γ,γ-bis(8-quinolinoxy)germa-γ-lactone","Acta Crystallographica Section E","2005","61","2","m358","m360","10.1107/S1600536805001455","","","0.71073","MoKα","","0.066","0.04","","","0.093","0.107","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205115","12.0013","0.0011","11.1465","0.0011","5.2327","0.0004","90","","90","","90","","699.99","0.11","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7-Methyl-1H-indazole","","- C8 H8 N2 -","- C8 H8 N2 -","- C32 H32 N8 -","4","1","LH6347","Foces-Foces, C.","Hydrogen-bonded networks in 1<i>H</i>-indazoles: the case of 7-methyl-1<i>H</i>-indazole","Acta Crystallographica Section E","2005","61","2","o337","o339","10.1107/S160053680500070X","","","1.5418","CuKα","","0.044","0.0389","","","0.1098","0.1154","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205116","7.195","0.001","8.629","0.002","11.522","0.002","90","","97.59","0.03","90","","709.1","0.2","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","hemiprotonated 1-methylcytosine","1-Methylcytosinium iodide 1-methylcytosine","","- C10 H15 I N6 O2 -","- C10 H15 I N6 O2 -","- C20 H30 I2 N12 O4 -","2","1","LH6348","Jens Müller; Eva Freisinger","[(1-Methylcytosine)~2~H]I, an asymmetric base pair","Acta Crystallographica Section E","2005","61","2","o320","o322","10.1107/S1600536805000693","","","0.71069","MoKα","","0.0247","0.0204","","","0.0421","0.0429","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205117","3.722","0.001","6.263","0.003","26.506","0.009","90","","94.41","0.02","90","","616","0.4","93.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C32 H20 N8 O4 -","2","0.5","LH6349","Mizuguchi, Jin; Imoda, Tomohiko; Takahashi, Hiroo","3,6-Di-4-pyridylpyrrolo[3,4-<i>c</i>]pyrrole-1,4(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","2","o500","o502","10.1107/S1600536805002114","","","1.5419","CuKα","","","0.241","","","","0.5649","","","","","","1.778","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205118","9.5311","0.0008","12.5662","0.001","14.9862","0.0012","90","","103.774","0.007","90","","1743.3","0.3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N'-(o-Phenylene)dibenzenesulfonamide","N,N'-(o-Phenylene)dibenzenesulfonamide","","- C18 H16 N2 O4 S2 -","- C18 H16 N2 O4 S2 -","- C72 H64 N8 O16 S8 -","4","1","LH6351","Bryan, Jeffrey C.; Rosenberg, Jay M.; Kavallieratos, Konstantinos","<i>N</i>,<i>N</i>'-(<i>o</i>-Phenylene)dibenzenesulfonamide","Acta Crystallographica Section E","2005","61","2","o396","o397","10.1107/S1600536805001133","","","0.71073","MoKα","","0.047","0.033","","","0.084","0.09","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205119","7.7129","0.0004","11.5063","0.0006","13.3854","0.0007","82.614","0.001","83.165","0.001","72.724","0.001","1120.8","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis[aqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]- di-μ-4,4'-oxydibenzoato-1:2κ^4^O:O']","","- C52 H36 Co2 N4 O12 -","- C52 H36 Co2 N4 O12 -","- C52 H36 Co2 N4 O12 -","1","0.5","LH6352","Xiao, Hong-Ping; Li, Xin-Hua; Ng, Seik Weng","<i>catena</i>-Poly[bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-di-μ-4,4'-oxydibenzoato-1:2κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","2","m344","m345","10.1107/S1600536805001558","","","0.71073","MoKα","","0.037","0.034","","","0.09","0.092","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205120","7.1227","0.0001","7.7284","0.0001","11.4138","0.0001","90","","90","","90","","628.296","0.013","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Lithium Chloride Dioxane","poly[μ~2~-chloro-μ~2~-dioxane-κ^2^O:O'-lithium(I)]","","- C4 H8 Cl Li O2 -","- C4 H8 Cl Li O2 -","- C16 H32 Cl4 Li4 O8 -","4","1","LH6353","Morris, J. Jacob; Noll, Bruce C.; Henderson, Kenneth W.","A redetermination of lithium chloride dioxane","Acta Crystallographica Section E","2005","61","2","m351","m353","10.1107/S1600536805001716","","","0.71073","MoKα","","0.0177","0.017","","","0.0452","0.0454","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205121","8.033","0.004","10.55","0.007","14.662","0.009","97.75","0.07","97.87","0.04","103.97","0.05","1176.1","1.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","trans-4-[(4-Dimethylaminophenyl)ethenyl]-N-methylquinolinium p-toluenesulfonate monohydrate","","- C27 H30 N2 O4 S -","- C27 H30 N2 O4 S -","- C54 H60 N4 O8 S2 -","2","1","LH6354","Coe, Benjamin J.; Hall, Jonathan J.; Harris, James A.; Brunschwig, B. S.; Coles, Simon J.; Hursthouse, Michael B.","<i>trans</i>-4-[(4-Dimethylaminophenyl)ethenyl]-<i>N</i>-methylquinolinium <i>p</i>-toluenesulfonate monohydrate","Acta Crystallographica Section E","2005","61","2","o464","o467","10.1107/S1600536805002138","","","0.71073","MoKα","","0.0637","0.045","","","0.1126","0.1258","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205122","19.805","0.003","7.988","0.002","7.369","0.002","90","","98.18","0.02","90","","1153.9","0.5","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-Nitrophenylsulfonyl)glycine methyl ester","","- C9 H10 N2 O6 S -","- C9 H10 N2 O6 S -","- C36 H40 N8 O24 S4 -","4","1","NC6016","Laurent F. Bornaghi; Sally-Ann Poulsen; Peter C. Healy; Alan R. White","<i>N</i>-(2-Nitrophenylsulfonyl)glycine methyl ester","Acta Crystallographica Section E","2005","61","2","o323","o325","10.1107/S1600536805000784","","","0.7107","MoKα","","0.075","0.0496","","","0.1504","0.2061","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205123","5.8182","0.0005","9.5061","0.0007","15.461","0.001","90","","93.89","0.006","90","","853.15","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-3-(4-hydroxyphenyl)acrylic acid","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","NC6017","Karas, Michael; Fournier, Isabelle; Bolte, Michael","2-Cyano-3-(4-hydroxyphenyl)acrylic acid","Acta Crystallographica Section E","2005","61","2","o383","o384","10.1107/S1600536805001480","","","0.71073","MoKα","","0.0362","0.0325","","","0.09","0.093","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205124","14.692","0.002","14.692","0.002","8.0106","0.0013","90","","90","","90","","1729.1","0.4","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","2-(5-Ethylpyridin-2-yl)ethanol","","- C9 H13 N O -","- C9 H13 N O -","- C72 H104 N8 O8 -","8","1","NC6018","Yathirajan, Hemmige S.; Gaonkar, Santhosh L.; Bolte, Michael","2-(5-Ethylpyridin-2-yl)ethanol","Acta Crystallographica Section E","2005","61","2","o492","o493","10.1107/S1600536805001947","","","0.71073","MoKα","","0.0348","0.0284","","","0.0685","0.07","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205125","16.778","0.002","7.4093","0.0007","9.8472","0.0011","90","","106.097","0.009","90","","1176.1","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Phosphenium bromide","","- C12 H12 Br P -","- C12 H12 Br P -","- C48 H48 Br4 P4 -","4","0.5","NC6019","Dornhaus, Franz; Lerner, Hans-Wolfram; Bolte, Michael","Diphenylphosphenium bromide","Acta Crystallographica Section E","2005","61","2","o448","o449","10.1107/S1600536805002151","","","0.71073","MoKα","","0.0426","0.0406","","","0.0948","0.0961","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205126","11.0428","0.0012","18.507","0.002","10.1462","0.0011","90","","104.547","0.009","90","","2007.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1'-(1-Hydroxyethyl)-N,N-diphenylferrocene-1-carboxamide","","- C25 H23 Fe N O2 -","- C25 H23 Fe N O2 -","- C100 H92 Fe4 N4 O8 -","4","1","NG6077","Cetina, Mario; Đaković, Senka; Hergold-Brundić, Antonija; Rapić, Vladimir","1'-(1-Hydroxyethyl)-<i>N,N</i>-diphenylferrocene-1-carboxamide","Acta Crystallographica Section E","2005","61","2","m307","m310","10.1107/S1600536804033379","","","0.71073","MoKα","","0.0785","0.0663","","","0.1595","0.1687","","","","","","1.168","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205127","12.513","0.003","15.918","0.003","12.122","0.002","90","","115.32","0.03","90","","2182.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cu2 N8 O12 -","- C40 H52 Cu2 N8 O12 -","- C80 H104 Cu4 N16 O24 -","2","0.5","NG6080","Jin Yang; Li Li; Jian-Fang Ma; Ying-Ying Liu","A dinuclear copper complex with a <i>p</i>-aminobenzoate anion","Acta Crystallographica Section E","2005","61","2","m237","m239","10.1107/S1600536804034336","","","0.71073","MoKα","","0.0483","0.0299","","","0.0743","0.0896","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2205128","5.5677","0.0011","6.3662","0.0013","11.62","0.002","102.11","0.03","95.59","0.03","106.68","0.03","380.26","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Hexaaquamagnesium(II) benzene-1,4-dioxyacetate","Hexaaquamagnesium(II) p-phenylenebis(oxyacetate)","","- C10 H20 Mg O12 -","- C10 H20 Mg O12 -","- C10 H20 Mg O12 -","1","0.5","NG6081","Yang, Qian; Gao, Shan; Huo, Li-Hua","Hexaaquamagnesium(II) benzene-1,4-dioxyacetate","Acta Crystallographica Section E","2005","61","2","m277","m278","10.1107/S1600536805000498","","","0.71073","MoKα","","0.0529","0.0458","","","0.1204","0.122","","","","","","1.02","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205129","8.4342","0.0018","9.391","0.002","10.36","0.002","79.941","0.003","71.597","0.003","89.332","0.003","765.8","0.3","183","2","183","2","","","","","","","","4","P -1","-P 1","2","Ethyl 2-aceto-3-tryptamino-2-propenoate","Ethyl 2-acetyl-3-[2-(1H-indol-3-yl)ethylamino]propenoate","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","1","OB6457","Fan, Ning-Juan; Li, Dong-Hong; Jiang, Xiao-Ming; Zhang, Yong-Bin; Guo, Wei; Xia, Chi-Zhong","Ethyl 2-acetyl-3-[2-(1<i>H</i>-indol-3-yl)ethylamino]propenoate","Acta Crystallographica Section E","2005","61","2","o373","o374","10.1107/S1600536805001261","","","0.71073","MoKα","","0.0531","0.0429","","","0.1054","0.1108","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205130","8.2523","0.0007","19.6807","0.0016","10.2857","0.0008","90","","105.388","0.001","90","","1610.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Acetamido-N-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide","","- C17 H17 Cl N2 O2 S -","- C17 H17 Cl N2 O2 S -","- C68 H68 Cl4 N8 O8 S4 -","4","1","OB6458","Chandra Kumar, K.; Kokila, M. K.; Puttaraja; Mohan, S.; Manjunath Shetty, K. S.; Kulkarni, Manohar V.","2-Acetamido-<i>N</i>-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide","Acta Crystallographica Section E","2005","61","2","o304","o306","10.1107/S1600536805000103","","","0.71073","MoKα","","0.0484","0.043","","","0.1217","0.1273","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205131","15.3802","0.0006","5.4473","0.0002","18.0635","0.0008","90","","90","","90","","1513.37","0.11","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4R,5S)-5-(Acetamidomethyl)-N-benzyl-3,4-dihydroxytetrahydrofuran- 3-carboxamide","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","1","OB6459","Punzo, Francesco; Watkin, David J.; Iezzi Simone, Michela; Fleet, George W. J.","(3<i>R</i>,4<i>R</i>,5<i>S</i>)-5-(Acetamidomethyl)-<i>N</i>-benzyl-3,4-dihydroxytetrahydrofuran-3-carboxamide","Acta Crystallographica Section E","2005","61","2","o513","o515","10.1107/S1600536805001467","","","0.71073","MoKα","","0.0465","0.034","","0.0769","0.0735","0.0769","","","","","","0.9344","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205132","8.1624","0.0003","8.5569","0.0003","11.6","0.0005","90","","90","","90","","810.2","0.05","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2C-Methyl-D-arabinono-1,4-lactone","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","OB6460","Punzo, Francesco; Watkin, David J.; Jenkinson, Sarah F.; Fleet, George W. J.","2<i>C</i>-Methyl-<small>D</small>-arabinono-1,4-lactone monohydrate","Acta Crystallographica Section E","2005","61","2","o326","o327","10.1107/S1600536805000723","","","0.71073","MoKα","","0.0369","0.0306","","0.0709","0.0687","0.0709","","","","","","0.977","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205133","18.285","0.004","10.779","0.003","16.152","0.004","90","","113.652","0.004","90","","2916","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(±)-(3aRS,4SR)-9-Chloro-3a,4-diethoxy-6,8-dimethoxy-2- (2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)chromano[4,3-d]-Δ^1,9b^-1,2,3- thiadiazoline","","- C27 H24 Cl3 N3 O7 S -","- C27 H24 Cl3 N3 O7 S -","- C108 H96 Cl12 N12 O28 S4 -","4","1","OB6461","Yong-Zhou Hu; Hua-Zhou Ying","(±)-(3a<i>RS</i>,4<i>SR</i>)-9-Chloro-2-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)-3a,4-diethoxy-6,8-dimethoxychromano[4,3-<i>d</i>]-Δ^1,9^^b^-1,2,3-thiadiazoline","Acta Crystallographica Section E","2005","61","2","o416","o418","10.1107/S1600536805001807","","","0.71073","MoKα","","0.0875","0.0485","","","0.1026","0.1148","","","","","","0.891","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205134","13.337","0.003","5.3977","0.0014","14.312","0.004","90","","109.898","0.019","90","","968.8","0.4","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-(2-Methyl-1H-imidazole-4,5-diyl)bis[2(S)-methyl-3-azoniabutanoate] acetic acid monohydrate","","- C14 H26 N4 O7 -","- C14 H26 N4 O7 -","- C28 H52 N8 O14 -","2","1","OB6462","Gasque, Laura; Mijangos, Edgar; Bernès, Sylvain","4,4'-(2-Methyl-1<i>H</i>-imidazole-4,5-diyl)bis[2(<i>S</i>)-methyl-3-azoniabutanoate] acetic acid monohydrate","Acta Crystallographica Section E","2005","61","2","o284","o286","10.1107/S1600536805000115","","","0.71073","MoKα","","0.0585","0.0413","","","0.106","0.1173","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205135","7.4853","0.0017","13.449","0.003","22.653","0.005","90","","90","","90","","2280.5","0.9","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-(1SR,8RS,10RS)-9,9,10-Tribromotricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene","","- C11 H9 Br3 -","- C11 H9 Br3 -","- C88 H72 Br24 -","8","1","OB6464","Ersanlı, Cem Cüneyt; Çoruh, Ufuk; Tuncer, Hökelek; Vázquez-López, Ezequiel M.; Arif, Daştan","(±)-(1<i>SR</i>,8<i>RS</i>,10<i>RS</i>)-9,9,10-Tribromotricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene","Acta Crystallographica Section E","2005","61","2","o263","o265","10.1107/S1600536805000255","","","0.71073","MoKα","","0.0863","0.0326","","","0.059","0.0662","","","","","","0.817","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205136","5.737","0.002","18.801","0.006","16.518","0.006","90","","93.368","0.004","90","","1778.6","1.1","150.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(μ~4~-hexafluoroglutarato)bis(tetrahydrofuran)tetrasilver(I)]- μ~2~-4,4'-biphenyldicarbonitrile]","","- C32 H24 Ag4 F12 N2 O10 -","- C32 H24 Ag4 F12 N2 O10 -","- C64 H48 Ag8 F24 N4 O20 -","2","0.5","OB6465","Liu, Shu-Qin; Konaka, Hisashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu","<i>catena</i>-Poly[[bis(μ~4~-hexafluoroglutarato)bis(tetrahydrofuran)tetrasilver(I)]-μ~2~-4,4'-biphenyldicarbonitrile]","Acta Crystallographica Section E","2005","61","2","m251","m253","10.1107/S1600536805000267","","","0.7107","MoKα","","","0.025","","","","0.0465","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205137","15.105","0.002","7.398","0.002","15.056","0.002","90","","112.72","0.01","90","","1551.9","0.5","273","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Nitrato[1-(2-pyridylmethyliminomethyl)naphthalen-2-olato]zinc(II)","","- C17 H13 N3 O4 Zn -","- C17 H13 N3 O4 Zn -","- C68 H52 N12 O16 Zn4 -","4","1","OB6466","Yang, De-Suo","Nitrato[1-(2-pyridylmethyliminomethyl)naphthalen-2-olato]zinc(II)","Acta Crystallographica Section E","2005","61","2","m247","m248","10.1107/S1600536805000279","","","0.71073","MoKα","","0.0464","0.039","","","0.1086","0.1137","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205138","14.996","0.001","13.597","0.001","25.156","0.002","90","","90","","90","","5129.3","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]copper(II)","","- C26 H30 Br2 Cu N2 O2 -","- C26 H30 Br2 Cu N2 O2 -","- C208 H240 Br16 Cu8 N16 O16 -","8","1","OB6467","Yang, De-Suo","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]copper(II)","Acta Crystallographica Section E","2005","61","2","m249","m250","10.1107/S1600536805000280","","","0.71073","MoKα","","0.0705","0.0431","","","0.1043","0.1169","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205139","7.252","0.004","7.442","0.004","13.43","0.008","93.49","0.05","98.74","0.05","94.56","0.05","712.2","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-Methyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol","","- C17 H24 O -","- C17 H24 O -","- C34 H48 O2 -","2","1","OB6469","Oleg Ya. Borbulevych","2-Methyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol","Acta Crystallographica Section E","2005","61","2","o378","o379","10.1107/S1600536805001236","","","0.71073","MoKα","","0.12","0.0457","","","0.1035","0.1148","","","","","","0.785","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205140","17.032","0.002","3.9694","0.0005","35.819","0.005","90","","90","","90","","2421.6","0.5","95","2","95","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Ethyl 1,3-dibromoazulene-6-carboxylate","","- C13 H10 Br2 O2 -","- C13 H10 Br2 O2 -","- C104 H80 Br16 O16 -","8","2","OB6470","Hussain, Zakir; Oeser, Thomas; Hopf, Henning","Ethyl 1,3-dibromoazulene-6-carboxylate","Acta Crystallographica Section E","2005","61","2","o478","o479","10.1107/S1600536805001972","","","0.71073","MoKα","","0.044","0.042","","","0.091","0.092","","","","","","1.111","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205141","12.2243","0.0006","19.1241","0.001","8.5207","0.0019","90","","90","","90","","1992","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","12,13-Dihydro-12-oxo-13-phenylbenzo[b]naphth[f][1,4]oxazepine-2,3-dicarbonitrile","","- C25 H13 N3 O2 -","- C25 H13 N3 O2 -","- C100 H52 N12 O8 -","4","1","RN6033","Is̨ik, S̨amil; Yavuz, Metin; Akdemir, Nesuhi; Ağar, Erbil; Özil, Musa","12,13-Dihydro-12-oxo-13-phenylbenzo[<i>b</i>]naphth[<i>f</i>][1,4]oxazepine-2,3-dicarbonitrile","Acta Crystallographica Section E","2005","61","2","o427","o428","10.1107/S1600536805000991","","","0.71073","MoKα","","0.0599","0.0331","","","0.0694","0.0759","","","","","","0.879","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205142","19.7","0.004","13.097","0.003","20.021","0.004","90","","90","","90","","5165.6","1.9","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Hexaaquazinc(II) bis(perchlorate) 2,5-dimethylpyrazine 1,4-dioxide","","- C12 H28 Cl2 N4 O18 Zn -","- C12 H28 Cl2 N4 O18 Zn -","- C96 H224 Cl16 N32 O144 Zn8 -","8","1","RN6035","Lu, Jian Jun; Shi, Jing Min","Hexaaquazinc(II) bis(perchlorate) bis(2,5-dimethylpyrazine 1,4-dioxide)","Acta Crystallographica Section E","2005","61","2","m327","m328","10.1107/S1600536805001005","","","0.71073","MoKα","","0.0705","0.0542","","","0.1312","0.1415","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205143","9.5998","0.0012","10.8872","0.0013","14.4903","0.0018","79.303","0.002","76.243","0.002","80.467","0.002","1433.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Z)-1-phenyl-2-(3-phenylthiazolidin-2-ylidene)ethanone","","- C17 H15 N O S -","- C17 H15 N O S -","- C68 H60 N4 O4 S4 -","4","2","RN6038","Liang-zhong Xu; Hai-Zhen Xu; Hai-Bin Song; Yong-Qi Qin; Kai Zhou","(<i>Z</i>)-1-Phenyl-2-(3-phenylthiazolidin-2-ylidene)ethanone","Acta Crystallographica Section E","2005","61","2","o459","o460","10.1107/S1600536805002102","","","0.71073","MoKα","","0.0506","0.0351","","","0.0874","0.0955","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205144","17.099","0.003","14.758","0.003","8.002","0.0016","90","","95","0.03","90","","2011.6","0.7","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Azidobis(2,2'-bipyridine)cadmium(II)","","- C20 H16 Cd N10 -","- C20 H16 Cd N10 -","- C80 H64 Cd4 N40 -","4","1","RZ6033","Fangfang Jian; Chunlei Li; Hailian Xiao; Pingping Sun","Azidobis(2,2'-bipyridine)cadmium(II)","Acta Crystallographica Section E","2005","61","2","m217","m218","10.1107/S1600536804033537","","","0.71073","MoKα","","0.0447","0.025","","","0.0639","0.0707","","","","","","1.071","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205145","5.8303","0.0001","9.8983","0.0002","24.1599","0.0004","90","","90","","90","","1394.27","0.04","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,2':5,6-Di-O-isopropylidene-2-C-hydroxmethyl-D-talono-1,4-lactone","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","RZ6034","Christopher C. Harding; David J. Watkin; Andrew R. Cowley; Raquel Soengas; Ulla P. Skytte; George W. J. Fleet","2,2':5,6-Di-<i>O</i>-isopropylidene-2-<i>C</i>-hydroxymethyl-<small>D</small>-talono-1,4-lactone","Acta Crystallographica Section E","2005","61","2","o250","o252","10.1107/S1600536804033549","","","0.71073","MoKα","","0.0407","0.0337","","0.0781","0.0758","0.0781","","","","","","0.9556","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205146","9.5001","0.001","9.8823","0.001","9.9403","0.001","98.039","0.002","115.157","0.002","104.092","0.002","787.18","0.14","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","5-(4-nitrophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C36 H36 N4 O6 -","2","1","RZ6039","K.Ravikumar; B.Sridhar; M. Mahesh; V. V. Narayana Reddy","A diastereoisomer of pyrano[3,2-<i>c</i>]quinoline","Acta Crystallographica Section E","2005","61","2","o461","o463","10.1107/S1600536805002448","","","0.71073","MoKα","","0.0731","0.061","","","0.1318","0.1386","","","","","","1.153","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205147","11.818","0.004","7.422","0.003","24.425","0.009","90","","90","","90","","2142.4","1.4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Poly[disilver(I)(Ag—Ag)-μ-4-chlorobenzoato-μ-piperazine]","","- C18 H18 Ag2 Cl2 N2 O4 -","- C18 H18 Ag2 Cl2 N2 O4 -","- C72 H72 Ag8 Cl8 N8 O16 -","4","1","SJ6025","Yang, Song; Zou, Ying; Zhu, Hai-liang","Poly[disilver(I)(<i>Ag</i>—<i>Ag</i>)-μ-4-chlorobenzoato-μ-piperazine]","Acta Crystallographica Section E","2005","61","2","m219","m220","10.1107/S1600536804033732","","","0.71073","MoKα","","0.0505","0.0351","","","0.0833","0.1006","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205148","6.2771","0.0013","9.792","0.002","19.073","0.004","90","","90","","90","","1172.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Phenylselanyl-3,5-methano-2H-cyclopenta[b]furan-2-one","2-Phenylselanyl-3,5-methano-2H-cyclopenta[b]furan-2-one","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C56 H56 O8 Se4 -","4","1","SJ6027","Thomas Francis; D. Alan R. Happer; Ward T. Robinson","2-Phenylselanyl-3,5-methano-2<i>H</i>-cyclopenta[<i>b</i>]furan-2-one","Acta Crystallographica Section E","2005","61","2","o453","o455","10.1107/S160053680500231X","","","0.71073","MoKα","","0.027","0.0227","","","0.0525","0.0542","","","","","","1.012","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205149","14.768","0.002","13.048","0.002","15.084","0.002","90","","118.349","0.003","90","","2558","0.6","113.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl2 N5 O5 Ru -","- C24 H25 Cl2 N5 O5 Ru -","- C96 H100 Cl8 N20 O20 Ru4 -","4","1","SJ6039","Kojima, Takahiko; Weber, David M.; Choma, Christin T.","{<i>N</i>-[Bis(2-pyridyl)methyl]-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)amine-κ^5^<i>N</i>}chlororuthenium(II) perchlorate methanol solvate","Acta Crystallographica Section E","2005","61","2","m226","m228","10.1107/S1600536804032209","","","0.7107","MoKα","","","0.044","","","","0.1195","","","","","","1.319","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205150","7.866","0.0004","20.076","0.0009","8.106","0.0003","90","","97.794","0.002","90","","1268.26","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","o-methylphenyl p-toluenesulfonate","2-methylphenyl 4-toluenesulfonate","","- C14 H14 O3 S -","- C14 H14 O3 S -","- C56 H56 O12 S4 -","4","1","SJ6042","Vadivelu Manivannan; Nagarajan Vembu; Maruthai Nallu; Kandasamy Sivakumar; Fronczek, Frank R.","2-Methylphenyl 4-toluenesulfonate: supramolecular aggregation through weak C—H···O, C—H···π and π‒π interactions","Acta Crystallographica Section E","2005","61","2","o239","o241","10.1107/S1600536804033112","","","0.71073","MoKα","","0.069","0.0409","","","0.1047","0.1174","","","","","","0.919","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205151","11.2017","0.001","9.7789","0.0006","13.2237","0.0014","90","","115.035","0.009","90","","1312.4","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cu N4 O6 -","- C28 H22 Cu N4 O6 -","- C56 H44 Cu2 N8 O12 -","2","0.5","SJ6045","Jian-Rong Su; Jian-Ming Gu; Duan-Jun Xu","Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis(4-hydroxybenzoato-κ^2^<i>O,O</i>')copper(II)","Acta Crystallographica Section E","2005","61","2","m244","m246","10.1107/S1600536804034221","","","0.71069","MoKα","","0.045","0.038","","","0.102","0.106","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205152","5.8464","0.0009","8.8422","0.0014","26.927","0.004","90","","90","","90","","1392","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-Ethyl 1-azido-2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-9-carboxylate","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C56 H56 N16 O12 -","4","1","SU6146","Fernandes, Manuel A.; Koning, Charles B. de; Michael, Joseph P.; Petersen, Riaan L.","(1<i>R</i>,2<i>R</i>)-Ethyl 1-azido-2-hydroxy-2,3-dihydro-1<i>H</i>-pyrrolo[1,2-<i>a</i>]indole-9-carboxylate","Acta Crystallographica Section E","2005","61","2","o269","o271","10.1107/S1600536805000231","","","0.71073","MoKα","","0.0535","0.0323","","","0.0762","0.0828","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205153","7.527","0.005","24.889","0.005","11.757","0.005","90","","106.007","0.005","90","","2117.2","1.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Ethyl-1-[2-(1-ethylmorpholinium-1-yl)ethyl]benzimidazolium diiodide monohydrate","","- C17 H29 I2 N3 O2 -","- C17 H29 I2 N3 O2 -","- C68 H116 I8 N12 O8 -","4","1","SU6148","Mehmet Akkurt; Sema Öztürk Yıldırım; Hasan Küçükbay; Ülkü Yılmaz; Orhan Büyükgüngör","3-Ethyl-1-[2-(1-ethylmorpholinium-1-yl)ethyl]benzimidazolium diiodide monohydrate","Acta Crystallographica Section E","2005","61","2","o301","o303","10.1107/S160053680403301X","","","0.71073","MoKα","","0.0273","0.0249","","","0.0558","0.0565","","","","","","1.093","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205154","7.296","0.001","8.014","0.002","10.208","0.002","86.97","0.02","70.53","0.02","73.04","0.02","537.6","0.2","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C9 H14 N2 O2 S -","- C9 H14 N2 O2 S -","- C18 H28 N4 O4 S2 -","2","1","SU6149","Zavodnik, Valery E.; Shutalev, Anatoly D.; Gurskaya, Galina V.; Stash, Adam I.; Tsirelson, Vladimir G.","Ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2005","61","2","o468","o470","10.1107/S1600536805001935","","","0.71073","MoKα","","0.0468","0.0296","","","0.0927","0.0949","","","","","","1.118","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205155","6.824","0.003","11.887","0.006","25.224","0.01","90","","90","","90","","2046.1","1.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Guanidinium 4-hydroxypyridinium-2,6-dicarboxylate","","- C8 H10 N4 O5 -","- C8 H10 N4 O5 -","- C64 H80 N32 O40 -","8","1","SU6151","Moghimi, Abolghasem; Aghabozorg, Hossein; Soleimannejad, Janet; Ramezanipour, Farshid","Guanidinium 4-hydroxypyridinium-2,6-dicarboxylate","Acta Crystallographica Section E","2005","61","2","o442","o444","10.1107/S1600536805001121","","","0.71073","MoKα","","0.0814","0.0562","","","0.1247","0.1333","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205156","8.351","0.001","11.22","0.001","13.566","0.001","89.4","0.01","75.91","0.01","85.68","0.01","1229.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(3,5-dimethyl-1H-pyrazole-κN^2^)[N,N-bis(3,5-dimethyl-1H-pyrazol-1-ylmethyl- κN^2^)-2-hydroxyethylamine-κN]nitratocopper(II) nitrate","","- C19 H31 Cu N9 O7 -","- C19 H31 Cu N9 O7 -","- C38 H62 Cu2 N18 O14 -","2","1","SU6154","Ramdani, Abdelkrim; El Kodadi, Mohamed; Fouad, Malek; Eddike, Driss; Tillard, Monique; Claude Belin","A redetermination of [<i>N</i>,<i>N</i>-bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-ylmethyl-κ<i>N</i>^2^)-2-hydroxyethylamine-κ<i>N</i>](3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)nitratocopper(II) nitrate","Acta Crystallographica Section E","2005","61","2","m346","m348","10.1107/S1600536805001170","","","0.71069","MoKα","","0.0999","0.0873","","","0.2229","0.2312","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205157","17.61","0.001","17.61","0.001","17.206","0.001","90","","90","","90","","5335.8","0.5","295","2","295","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^N,N',O]cobalt(III) nitrate","","- C26 H20 Br2 Co N5 O5 -","- C26 H20 Br2 Co N5 O5 -","- C208 H160 Br16 Co8 N40 O40 -","8","1","SU6156","Sun, Yu-Xi","Bis[4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]cobalt(III) nitrate","Acta Crystallographica Section E","2005","61","2","m335","m337","10.1107/S1600536805001182","","","0.71073","MoKα","","0.0667","0.0392","","","0.0902","0.1045","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205158","7.204","0.002","19.175","0.002","12.716","0.002","90","","95.93","0.02","90","","1747.1","0.6","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[4-Bromo-2-(pyridin-2-ylmethylaminomethyl)phenolato](methanol)copper(II) perchlorate","","- C14 H14 Br Cl Cu N2 O6 -","- C14 H14 Br Cl Cu N2 O6 -","- C56 H56 Br4 Cl4 Cu4 N8 O24 -","4","1","SU6157","Sun, Yu-Xi","[4-Bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato](methanol)copper(II) perchlorate","Acta Crystallographica Section E","2005","61","2","m338","m340","10.1107/S1600536805001194","","","0.71073","MoKα","","0.0652","0.041","","","0.0919","0.1034","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205160","7.838","0.002","9.039","0.002","11.988","0.002","106.95","0.01","102.77","0.01","93.04","0.01","786","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Aqua[4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]copper(II) nitrate monohydrate","","- C13 H14 Br Cu N3 O6 -","- C13 H14 Br Cu N3 O6 -","- C26 H28 Br2 Cu2 N6 O12 -","2","1","SU6159","Sun, Yu-Xi; Gao, Gen-Zhi; Pei, Hong-Xia; Zhang, Rui","Aqua[4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]copper(II) nitrate monohydrate","Acta Crystallographica Section E","2005","61","2","m370","m372","10.1107/S1600536805001984","","","0.71073","MoKα","","0.0932","0.0502","","","0.0908","0.1054","","","","","","0.983","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205161","7.576","0.001","13.3","0.002","30.306","0.002","90","","90","","90","","3053.7","0.6","298","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Azido[1-(isobutylaminomethyliminomethyl)-2-naphtholato]nickel(II)","","- C15 H17 N5 Ni O -","- C15 H17 N5 Ni O -","- C120 H136 N40 Ni8 O8 -","8","1","SU6160","Sun, Yu-Xi; Gao, Gen-Zhi; Zhang, Rui; Pei, Hong-Xia","Azido[1-(isobutylaminomethyliminomethyl)-2-naphtholato]nickel(II)","Acta Crystallographica Section E","2005","61","2","m397","m398","10.1107/S1600536805001881","","","0.71073","MoKα","","0.0534","0.0433","","","0.1134","0.1208","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205162","7.133","0.0006","8.005","0.0009","8.452","0.0011","99.571","0.009","112.751","0.006","93.146","0.008","435.08","0.09","122","1","122","1","","","","","","","","3","P -1","-P 1","2","2,5-Dimethoxybenzene-1,4-dicarbaldehyde","2,5-Dimethoxybenzene-1,4-dicarbaldehyde","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","SU6161","Christian B. Nielsen; Michael Pittelkow; Henning Osholm Sørensen","2,5-Dimethoxybenzene-1,4-dicarbaldehyde","Acta Crystallographica Section E","2005","61","2","o473","o474","10.1107/S1600536805002229","","","0.71073","MoKα","","0.0784","0.0461","","","0.1114","0.13","","","","","","1.024","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205163","15.045","0.009","22.154","0.012","9.972","0.005","90","","106.05","0.04","90","","3194","3","126","2","126","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(III)Cl(OEP)","Chloro(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III)","","- C36 H44 Cl Fe N4 -","- C36 H44 Cl Fe N4 -","- C144 H176 Cl4 Fe4 N16 -","4","1","SU6162","Senge, Mathias O.","Chloro(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III)","Acta Crystallographica Section E","2005","61","2","m399","m400","10.1107/S1600536805002461","","","0.71073","MoKα","","0.0673","0.0477","","","0.1242","0.1365","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205164","8.514","0.004","13.361","0.006","14.02","0.005","92.84","0.03","101.53","0.03","105.96","0.03","1493.2","1.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","Dibenzyl 5-(2-chloroethyl)-3,7-diethyl-2,8-dimethyldipyrromethane-1,9-dicarboxylate","dibenzyl 3,3'-diethyl-4,4'-dimethyl-2,2'-(3-chloropropane-1,1-diyl)dipyrrole- 5,5'-dicarboxylate","","- C33 H37 Cl N2 O4 -","- C33 H37 Cl N2 O4 -","- C66 H74 Cl2 N4 O8 -","2","1","SU6163","Senge, Mathias O.","Dibenzyl 5-(2-chloroethyl)-3,7-diethyl-2,8-dimethyldipyrromethane-1,9-dicarboxylate","Acta Crystallographica Section E","2005","61","2","o506","o508","10.1107/S160053680500245X","","","0.71073","MoKα","","0.0622","0.0446","","","0.1058","0.1169","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205165","7.298","0.001","8.003","0.001","11.985","0.002","100.18","0.01","101.95","0.01","100.86","0.01","655.38","0.17","295","2","298","2","","","","","","","","5","P -1","-P 1","2","","Dichloro[N,N-dimethyl-N'-(pyridin-2-ylmethylidene)ethane-1,2-diamine]zinc(II)","","- C10 H15 Cl2 N3 Zn -","- C10 H15 Cl2 N3 Zn -","- C20 H30 Cl4 N6 Zn2 -","2","1","SU6165","Sun, Yu-Xi","Dichloro[<i>N,N</i>-dimethyl-<i>N</i>'-(pyridin-2-ylmethylidene)ethane-1,2-diamine]zinc(II)","Acta Crystallographica Section E","2005","61","2","m373","m374","10.1107/S1600536805002278","","","0.71073","MoKα","","0.0349","0.0306","","","0.0679","0.0703","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205166","7.1714","0.0004","8.1184","0.0003","26.4299","0.0014","90","","95.721","0.002","90","","1531.09","0.13","294","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[(ferrocenylcarbonyl)amino]thiophene-3-carboxylate","","- C17 H15 Fe N O3 S -","- C17 H15 Fe N O3 S -","- C68 H60 Fe4 N4 O12 S4 -","4","1","TK6199","Alley, Steven; Gallagher, John F.; Kenny, Peter T. M.; Lough, Alan J.","Methyl 2-[(ferrocenylcarbonyl)amino]thiophene-3-carboxylate","Acta Crystallographica Section E","2005","61","2","m201","m203","10.1107/S1600536804033355","","","0.71073","MolybdenumKα","","0.048","0.033","","","0.072","0.079","","","","","","1.04","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205167","20.907","0.004","11.951","0.004","26.516","0.005","90","","111.06","0.03","90","","6183","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[1-(3-Aminopropyl)-4,7-dithia-1-azacyclononane- κ^4^N,N',S,S']bis(dimethylformamide-κO)nickel(II) bis(tetraphenylborate) acetonitrile disolvate","","- C67 H80 B2 N6 Ni O2 S2 -","- C67 H80 B2 N6 Ni O2 S2 -","- C268 H320 B8 N24 Ni4 O8 S8 -","4","1","TK6203","Blake, Alexander J.; Lippolis, Vito","[1-(3-Aminopropyl)-4,7-dithia-1-azacyclononane-κ^4^<i>N</i>,<i>N</i>',<i>S,S</i>']bis(dimethylformamide-κ<i>O</i>)nickel(II) bis(tetraphenylborate) acetonitrile disolvate","Acta Crystallographica Section E","2005","61","2","m207","m208","10.1107/S1600536804033380","","","0.71073","MoKα","","0.087","0.069","","","0.182","0.205","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205168","11.2502","0.001","6.9682","0.0006","24.014","0.002","90","","93.963","0.002","90","","1878","0.3","180","2","180","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","2,6-Bis[2,4-bis(heptyloxy)phenyl]pyridine","","- C41 H61 N O4 -","- C41 H61 N O4 -","- C82 H122 N2 O8 -","2","0.5","TK6205","Alcock, Nathaniel W.; Rourke, Jonathan P","2,6-Bis[2,4-bis(heptyloxy)phenyl]pyridine","Acta Crystallographica Section E","2005","61","2","o368","o369","10.1107/S1600536805001248","","","0.71073","MoKα","","0.13","0.06","","","0.134","0.168","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205169","9.891","0.004","10.188","0.004","13.592","0.005","106.179","0.007","106.822","0.007","97.75","0.007","1224","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","N,N-Bis(anthracen-9-ylmethyl)propylamine","","- C33 H29 N -","- C33 H29 N -","- C66 H58 N2 -","2","1","WK6030","Liu, Qing-Xiang; Song, Hai-Bin; Zheng-Ming Li","<i>N</i>,<i>N</i>-Bis(anthracen-9-ylmethyl)propylamine","Acta Crystallographica Section E","2005","61","2","o385","o386","10.1107/S1600536804034026","","","0.71073","MoKα","","0.197","0.077","","","0.158","0.208","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205170","18.838","0.003","16.557","0.002","10.065","0.012","90","","111.354","0.014","90","","2924","4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DL-phenylalaninium trichloroacetate","DL-Phenylalaninium trichloroacetate","","- C11 H12 Cl3 N O4 -","- C11 H12 Cl3 N O4 -","- C88 H96 Cl24 N8 O32 -","8","1","WK6038","K. Rajagopal; R. V. Krishnakumar; S. Natarajan","<small>DL</small>-Phenylalaninium trichloroacetate","Acta Crystallographica Section E","2005","61","2","o203","o205","10.1107/S160053680403404X","","","0.71073","MoKα","","0.0744","0.0534","","","0.143","0.1541","","","","","","1.027","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205171","8","0.004","8.753","0.004","9.752","0.005","102.716","0.009","94.939","0.008","94.976","0.009","659.7","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-methoxycarbonylamino-3-phenylpropionate","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C26 H34 N2 O8 -","2","1","WK6039","Bin Tan; Hua Fang; Zan-Bin Wei; Li-Ren Jin","Ethyl 2-methoxycarbonylamino-3-phenylpropionate","Acta Crystallographica Section E","2005","61","2","o298","o300","10.1107/S1600536804034063","","","0.71073","MoKα","","0.072","0.056","","","0.151","0.162","","","","","","1.01","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205172","9.2724","0.0005","11.7943","0.0006","24.4404","0.0011","90","","99.18","0.002","90","","2638.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzyl 2-amino-6-chloro-9H-purine-9-carboxylate","","- C13 H10 Cl N5 O2 -","- C13 H10 Cl N5 O2 -","- C104 H80 Cl8 N40 O16 -","8","2","WK6041","Adebambo, Kassim F.; Howarth, Nicola; Rosair, Georgina M.","Benzyl 2-amino-6-chloro-9<i>H</i>-purine-9-carboxylate","Acta Crystallographica Section E","2005","61","2","o486","o488","10.1107/S1600536805002047","","","0.71073","MoKα","","0.0482","0.0343","","","0.0883","0.0946","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205173","5.6741","0.0017","5.6741","0.0017","11.249","0.005","90","","90","","90","","362.2","0.2","150","2","150","2","","","","","","","","3","I -4","I -4","82","","","","- Ge Hg2 Se4 -","- Ge Hg2 Se4 -","- Ge2 Hg4 Se8 -","2","0.25","WM6045","Yongkwan Dong; Sangrok Kim; Hoseop Yun","Reinvestigation of Hg~2~GeSe~4~ based on single-crystal data","Acta Crystallographica Section E","2005","61","2","i9","i11","10.1107/S1600536804034105","","","0.7107","MoKα","","","0.0556","","","","0.1449","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205174","9.1272","0.0016","10.282","0.002","9.1902","0.0014","90","","90","","90","","862.5","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","Cerium diruthenium decaaluminium","","- Al10 Ce Ru2 -","- Al10 Ce Ru2 -","- Al40 Ce4 Ru8 -","4","0.25","WM6046","Tursina, Anna I.; Nesterenko, Sergei N.; Murashova, Elena V.; Chernyshev, Ilya V.; Noël, Henri; Seropegin, Yuri D.","CeRu~2~Al~10~ with the YbFe~2~Al~10~ structure type","Acta Crystallographica Section E","2005","61","2","i12","i14","10.1107/S1600536805000310","","","0.71073","MoKα","","0.0462","0.0434","","","0.1204","0.1227","","","","","","1.095","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205175","4.1539","0.0003","4.1539","0.0003","16.508","0.002","90","","90","","120","","246.68","0.04","153","2","153","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cesium ytterbium diselenide","","- Cs Se2 Yb -","- Cs Se2 Yb -","- Cs2 Se4 Yb2 -","2","0.0833333","WM6047","Deng, Bin; Ibers, James A.","CsYbSe~2~","Acta Crystallographica Section E","2005","61","2","i15","i17","10.1107/S1600536805001157","","","0.71073","MoKα","","0.0208","0.0186","","","0.0405","0.0408","","","","","","1.703","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205176","9.1244","0.0006","11.0468","0.0007","13.0895","0.0007","90","","90.152","0.006","90","","1319.36","0.14","296","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tetratellurium bis[heptachlorodigallate(III)]","","- Cl14 Ga4 Te4 -","- Cl14 Ga4 Te4 -","- Cl28 Ga8 Te8 -","2","0.5","WM6049","Lindsjö, Martin; Kloo, Lars","Tetratellurium bis[heptachlorodigallate(III)], Te~4~[Ga~2~Cl~7~]~2~","Acta Crystallographica Section E","2005","61","2","i18","i19","10.1107/S1600536805001960","","","0.71073","MoKα","","0.0514","0.0322","","","0.0541","0.0599","","","","","","1.11","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205177","5.127","0.002","13.75","0.006","22.503","0.009","90","","90","","90","","1586.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2Z)-2-(anthracen-9-ylmethylene)-5,6-dihydroimidazo[2,1-b]thiazol-3(2H)-one","","- C20 H14 N2 O S -","- C20 H14 N2 O S -","- C80 H56 N8 O4 S4 -","4","1","WN6312","Liang, Zu-Pei; Li, Jian","(2<i>Z</i>)-2-(Anthracen-9-ylmethylene)-5,6-dihydroimidazo[2,1-<i>b</i>]thiazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","2","o220","o221","10.1107/S1600536804033847","","","0.71073","MoKα","","0.1549","0.0743","","","","0.1981","","","","","","1.118","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205178","6.1138","0.0012","7.6933","0.0015","19.824","0.004","90","","90","","90","","932.4","0.3","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","3,8-Dimethyl-1,6-dioxa-4,9-diaza-5λ^5^-phosphaspiro[4.4]nonane-2,7-dione","","- C6 H11 N2 O4 P -","- C6 H11 N2 O4 P -","- C24 H44 N8 O16 P4 -","4","0.5","WN6313","Yu, Lin; Liu, Zhao; Fang, Hua; Zhao, Yu-Fen","(3<i>S</i>,8<i>S</i>)-3,8-Dimethyl-1,6-dioxa-4,9-diaza-5λ^5^-phosphaspiro[4.4]nonane-2,7-dione","Acta Crystallographica Section E","2005","61","2","o261","o262","10.1107/S160053680403421X","","","0.71073","MoKα","","0.0885","0.0685","","","0.1787","0.1979","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205179","27.665","0.009","5.1444","0.0016","13.907","0.004","90","","98.401","0.005","90","","1958","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4S)-4-(Methoxycarbonylmethylaminocarbonyl)-4-(3,4,5- trimethoxybenzamido)butanoic acid","","- C18 H24 N2 O9 -","- C18 H24 N2 O9 -","- C72 H96 N8 O36 -","4","1","WN6314","Li, Xun; Xu, Wen-Fang; Wu, Ji-Feng; Wang, Jun-Li; Yuan, Yu-Mei","(4<i>S</i>)-4-(Methoxycarbonylmethylaminocarbonyl)-4-(3,4,5-trimethoxybenzamido)butanoic acid","Acta Crystallographica Section E","2005","61","2","o349","o351","10.1107/S1600536805001339","","","0.71073","MoKα","","0.0895","0.0606","","","0.1405","0.1546","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205180","9.5294","0.0009","8.4805","0.0008","33.362","0.003","90","","90","","90","","2696.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Oxo-2-phenylethyl morpholine-4-carbodithioate","","- C13 H15 N O2 S2 -","- C13 H15 N O2 S2 -","- C104 H120 N8 O16 S16 -","8","1","WN6317","Liang-Zhong Xu; Kai Li; Guan-Ping Yu; Guo-Dong Si; Cheng-Long Yu","2-Oxo-2-phenylethyl morpholine-4-carbodithioate","Acta Crystallographica Section E","2005","61","2","o215","o216","10.1107/S1600536804033999","","","0.71073","MoKα","","0.0525","0.0268","","","0.0645","0.0957","","","","","","0.866","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205181","13.48","0.003","9.796","0.002","13.757","0.003","90","","97.556","0.003","90","","1800.8","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Dimethyl-2-phenyl-4-[(E,E)-3-phenylprop-2-enylideneamino]- 1H-pyrazol-3(2H)-one","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","WN6320","Li, Zong-Xiao; Zhang, Xin-Li","1,5-Dimethyl-2-phenyl-4-[(<i>E,E</i>)-3-phenylprop-2-enylideneamino]-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","2","o375","o377","10.1107/S1600536805001340","","","0.71073","MoKα","","0.1039","0.0492","","","0.1112","0.1451","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205182","4.0781","0.0006","16.344","0.003","18.664","0.003","90","","90","","90","","1244","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C60 H44 Cl4 O8 -","4","1","WN6321","T. Ravishankar; K. Chinnakali; S. Nanjundan; P. Selvam; Hoong-Kun Fun; Xiao-Lan Yu","1-(4-Chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","2","o405","o407","10.1107/S1600536805001686","","","0.71073","MoKα","","0.0587","0.0448","","","0.1003","0.1078","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205183","13.4346","0.0008","11.4998","0.0007","16.6055","0.001","90","","90","","90","","2565.5","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-ene-1-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","1","WN6322","Sathiya Moorthi, S.; Chinnakali, K.; Nanjundan, S.; Radhika, R.; Fun, Hoong-Kun; Yu, Xiao-Lan","1-(4-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","2","o480","o482","10.1107/S1600536805001698","","","0.71073","MoKα","","0.0516","0.044","","","0.1193","0.126","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205184","11.7495","0.0013","5.4876","0.0006","20.165","0.002","90","","95.918","0.002","90","","1293.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Bromophenyl)-3-(3-hydroxyphenyl)prop-2-ene-1-one","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C60 H44 Br4 O8 -","4","1","WN6324","S. Sathiya Moorthi; K. Chinnakali; S. Nanjundan; C. Sreekuttan Unnithan; Hoong-Kun Fun; Xiao-Lan Yu","1-(4-Bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","2","o483","o485","10.1107/S1600536805002370","","","0.71073","MoKα","","0.0512","0.0346","","","0.083","0.0911","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205185","4.9785","0.0006","21.127","0.002","10.9004","0.0013","90","","102.209","0.002","90","","1120.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2'-(2-Thienylmethylidene)-2-hydroxybenzohydrazide","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","1","WW6323","Pan, Fu-You; Yang, Jian-Guo","2'-(2-Thienylmethylidene)-2-hydroxybenzohydrazide","Acta Crystallographica Section E","2005","61","2","o352","o353","10.1107/S1600536804034099","","","0.71073","MoKα","","0.0609","0.0517","","","0.1489","0.1568","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205186","7.0492","0.0009","10.6716","0.0014","11.7464","0.0015","90","","103.426","0.002","90","","859.49","0.19","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,10-phenanthrolin-1-ium 5-sulfosalicylate","","- C19 H14 N2 O6 S -","- C19 H14 N2 O6 S -","- C38 H28 N4 O12 S2 -","2","1","WW6336","Fan, Sai-Rong; Xiao, Hong-Ping; Zhu, Long-Guan","A cation‒anion complex: 1,10-phenanthrolin-1-ium 5-sulfonatosalicylic acid","Acta Crystallographica Section E","2005","61","2","o253","o255","10.1107/S1600536804034245","","","0.71073","MoKα","","0.0433","0.0429","","","0.1057","0.106","","","","","","1.18","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205187","6.4744","0.0016","23.758","0.006","7.5236","0.0019","90","","108.715","0.003","90","","1096.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-Poly [tetraqua cadmium(II)-μ-hexane-1,6-diamineK~2~N:N'] terephthalate dihydrate]","","- C14 H32 Cd N2 O10 -","- C14 H32 Cd N2 O10 -","- C28 H64 Cd2 N4 O20 -","2","0.5","WW6340","Meng, Xiang-Gao; Lin, Zhi-Dong","<i>catena</i>-Poly[[tetraaquacadmium(II)-μ-hexane-1,6-diamine-κ^2^<i>N</i>:<i>N</i>'] terephthalate dihydrate]","Acta Crystallographica Section E","2005","61","2","m263","m264","10.1107/S1600536804034233","","","0.71073","MoKα","","0.0377","0.0364","","","0.0839","0.0845","","","","","","1.215","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205188","7.805","0.003","10.705","0.005","11.805","0.005","107.729","0.007","98.068","0.007","91.09","0.008","928.2","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-(2,6-Dihydroxyphenyl)butanone","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","2","WW6341","Hua-Rong Huang; Xiao-Long Feng; Zhi-Gang She; Yong-Cheng Lin; L. L. P. Vrijmoed; E. B. Gareth Jones","1-(2,6-Dihydroxyphenyl)butanone","Acta Crystallographica Section E","2005","61","2","o282","o283","10.1107/S160053680500022X","","","0.71073","MoKα","","0.0881","0.0492","","","0.122","0.1432","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205189","8.3046","0.0004","9.5443","0.0004","12.0048","0.0008","81.22","0.003","70.03","0.002","83.678","0.002","882.1","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[bis(1H-imidazole-κN^3^)zinc(II)]-μ-terephthalato-κO:O'] trihydrate]","","- C14 H18 N4 O7 Zn -","- C14 H18 N4 O7 Zn -","- C28 H36 N8 O14 Zn2 -","2","1","WW6342","Lin, Dong-Dong; Yin, Kai-Liang; Xu, Duan-Jun","<i>catena</i>-Poly[[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ-terephthalato-κ^2^<i>O</i>:<i>O</i>'] trihydrate]","Acta Crystallographica Section E","2005","61","2","m260","m262","10.1107/S1600536805000164","","","0.71073","MoKα","","0.031","0.027","","","0.069","0.071","","","","","","1.123","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205190","10.2362","0.0012","8.9429","0.0011","10.3855","0.0012","90","","91.887","0.002","90","","950.2","0.2","295","2","295","2","","","","","","","","6","P 1 c 1","P -2yc","7","","2-(1H-Benzotriazol-1-yl)-3-(4-chlorophenyl)-3-hydroxy-N-phenylprop- 2-enethioamide","","- C21 H15 Cl N4 O S -","- C21 H15 Cl N4 O S -","- C42 H30 Cl2 N8 O2 S2 -","2","1","WW6347","Xu, Liangzhong; Yang, Shuanghua; Zhu, Chongyi; Li, Kai; Liu, Faqian","2-(1<i>H</i>-Benzotriazol-1-yl)-3-(4-chlorophenyl)-3-hydroxy-<i>N</i>-phenylprop-2-enethioamide","Acta Crystallographica Section E","2005","61","2","o259","o260","10.1107/S160053680500019X","","","0.71073","MoKα","","0.0563","0.0349","","","0.082","0.09","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205191","4.8223","0.0015","5.4732","0.0016","25.484","0.007","90","","90","","90","","672.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-1-phenylethanone","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","YA6231","Pengying Zhao; Qiyun Shao; Weiyi Zhou; Jie Li; Chunbao Li","2-Hydroxy-1-phenylethanone","Acta Crystallographica, Section E","2005","61","2","o328","o329","10.1107/S1600536805000760","","","0.71073","MoKα","","0.063","0.036","","","0.102","0.142","","","","","","1.23","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205192","6.328","0.002","7.696","0.003","35.175","0.012","90","","92.678","0.006","90","","1711.2","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthrolin-1-ium 2-carboxy-4-nitrobenzoate","","- C20 H13 N3 O6 -","- C20 H13 N3 O6 -","- C80 H52 N12 O24 -","4","1","YA6232","Guo, Ming-Lin","1,10-Phenanthrolin-1-ium 2-carboxy-4-nitrobenzoate","Acta Crystallographica Section E","2005","61","2","o431","o433","10.1107/S1600536805001765","","","0.71073","MoKα","","0.1","0.056","","","0.122","0.146","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205193","19.4776","0.0016","14.0453","0.0011","21.1035","0.0017","90","","90","","90","","5773.3","0.8","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(butane-1,4-diammonium) bis(hydrogenphosphato)pentamolybdate monohydrate,","","- C8 H32 Mo5 N4 O24 P2 -","- C8 H32 Mo5 N4 O24 P2 -","- C64 H256 Mo40 N32 O192 P16 -","8","1","AC6148","Shailesh Upreti; A. Ramanan","Butane-1,4-diammonium diphosphopentamolybdate: a new inorganic‒organic hybrid solid","Acta Crystallographica Section E","2005","61","3","m414","m416","10.1107/S1600536805001856","","","0.71073","MoKα","","0.0273","0.0269","","","0.0747","0.0751","","","","","","1.283","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205194","8.237","0.003","8.438","0.003","14.59","0.006","83.554","0.007","75.631","0.007","84.998","0.007","974.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Benzoylthiosemicarbazide","","- C8 H9 N3 O S -","- C8 H9 N3 O S -","- C32 H36 N12 O4 S4 -","4","2","AC6151","Bian, He-Dong; Guo, Gui-Quan; Yu, Qing; Liang, Hong; Yang, Xiao-E; Zhu, Li-Gang","<i>N</i>-Benzoylthiosemicarbazide","Acta Crystallographica Section E","2005","61","3","o639","o640","10.1107/S1600536805003867","","","0.71073","MoKα","","0.0738","0.0422","","","0.0992","0.1241","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205195","15.3509","0.0006","11.6315","0.0004","5.9802","0.0002","90","","90","","90","","1067.79","0.07","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1-Piperidinyl)-1,3-benzothiazole","","- C12 H14 N2 S -","- C12 H14 N2 S -","- C48 H56 N8 S4 -","4","1","AC6153","Alvarez, Ricardo G.; Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.; Waigh, Roger D.","2-(1-Piperidinyl)-1,3-benzothiazole","Acta Crystallographica Section E","2005","61","3","o569","o570","10.1107/S160053680500320X","","","0.71073","MoKα","","0.0361","0.0284","","","0.0617","0.0647","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205196","6.039","0.0012","7.221","0.0014","8.561","0.0017","84.48","0.03","81.33","0.03","71.08","0.03","348.67","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H4 B Cl3 N2 -","- C3 H4 B Cl3 N2 -","- C6 H8 B2 Cl6 N4 -","2","1","AC6154","R. Angharad Baber; Andrew E. A. Bull; Jonathan P. H. Charmant; Nicholas C. Norman; A. Guy Orpen","<i>N</i>-Imidazole‒boron trichloride adduct","Acta Crystallographica Section E","2005","61","3","o553","o554","10.1107/S1600536805002631","","","0.71073","MoKα","","0.0344","0.0296","","","0.068","0.07","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205197","10.044","0.006","11.398","0.003","13.82","0.003","90","","109.79","0.04","90","","1488.7","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-(4-Fluorobenzylidene)anthrone","","- C21 H13 F O -","- C21 H13 F O -","- C84 H52 F4 O4 -","4","1","AC6156","Wei Zhou; Weixiao Hu; Luping Lv; Chunnian Xia","10-(4-Fluorobenzylidene)anthrone","Acta Crystallographica Section E","2005","61","3","o592","o593","10.1107/S1600536805002655","","","0.71073","MoKα","","0.0506","0.0333","","","0.0934","0.1032","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205198","8.6894","0.0007","24.3903","0.0015","7.8153","0.0006","90","","100.46","0.006","90","","1628.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Benzoylphenoxy)phthalonitrile","","- C21 H12 N2 O2 -","- C21 H12 N2 O2 -","- C84 H48 N8 O8 -","4","1","AC6158","Akbal, Tufan; Akdemir, Nesuhi; Ağar, Erbil; Kantar, Cihan; Erdönmez, Ahmet","4-(2-Benzoylphenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","3","o683","o684","10.1107/S160053680500440X","","","0.71073","MoKα","","0.0425","0.0332","","","0.0827","0.0852","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205199","18.223","0.001","5.5837","0.0004","11.5842","0.0007","90","","101.725","0.004","90","","1154.12","0.13","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 2,3,5,6-tetramethylbenzoate","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","AC6159","Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Lin, Ellen C. H. Y.","Ethyl 2,3,5,6-tetramethylbenzoate","Acta Crystallographica Section E","2005","61","3","o662","o663","10.1107/S1600536805004319","","","0.71073","MoKα","","0.0567","0.0387","","","0.0961","0.1076","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205200","6.941","0.0007","8.141","0.0009","11.212","0.0006","90","","90.994","0.006","90","","633.46","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-dimorpholinobenzene","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C28 H40 N4 O4 -","2","0.5","AC6160","Quail, J. Wilson; Doroudi, Alireza; Das, Umashankar; Dimmock, Jonathan R.","1,4-Dimorpholinobenzene","Acta Crystallographica Section E","2005","61","3","o693","o695","10.1107/S160053680500454X","","","0.71073","MoKα","","0.083","0.0519","","","0.1008","0.1154","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205201","18.466","0.003","16.745","0.002","13.914","0.0019","90","","129.174","0.002","90","","3335.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[μ-1-(2-pyridyl-κN)ethanone 4-phenylthiosemicarbazonato-κ^2^N^1^,S]bis[iodomercury(II)]","","- C28 H26 Hg2 I2 N8 S2 -","- C28 H26 Hg2 I2 N8 S2 -","- C112 H104 Hg8 I8 N32 S8 -","4","0.5","BR6172","Yamin, Bohari M.; Yusof, M. Sukeri M.","Bis[μ-1-(2-pyridyl-κ<i>N</i>)ethanone 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>]bis[iodomercury(II)]","Acta Crystallographica Section E","2005","61","3","m454","m456","10.1107/S1600536805002898","","","0.71073","MoKα","","0.033","0.026","","","0.066","0.068","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205202","7.0074","0.0009","7.339","0.001","7.796","0.001","81.24","0.001","71.08","0.001","88.15","0.001","374.78","0.09","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","diammonium zinc(II) dihydrogendiphosphate dihydrate","","- H16 N2 O16 P4 Zn -","- H16 N2 O16 P4 Zn -","- H16 N2 O16 P4 Zn -","1","0.5","BR6177","Essehli, Rachid; Lachkar, Mohammed; Svoboda, Ingrid; Fuess, Hartmut; El Bali, Brahim","Synthesis, crystal structure and vibrational spectra of a new diammonium zinc(II) dihydrogendiphosphate dihydrate, (NH~4~)~2~Zn(H~2~P~2~O~7~)~2~·2H~2~O","Acta Crystallographica Section E","2005","61","3","i32","i34","10.1107/S1600536805004642","","","0.71073","MoKα","","0.0328","0.0318","","","0.0896","0.0904","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205203","7.1952","0.0001","12.572","0.0002","5.8035","0.0001","90","","90","","90","","524.973","0.014","300","","300","","","","","","","","","5","P b n m","-P 2c 2ab","62","","europium lanthanum barium zinc oxide","","- Ba Eu1.8 La0.2 O5 Zn -","- Ba Eu1.8 La0.2 O5 Zn -","- Ba4 Eu7.2 La0.8 O20 Zn4 -","4","0.5","BR6178","Hernández-Pérez, José Apuleyo; Villafuerte-Castrejón, María-Elena; Bucio, Lauro","Eu~1.8~La~0.2~BaZnO~5~: a Rietveld refinement using X-ray powder diffraction","Acta Crystallographica Section E","2005","61","3","i23","i25","10.1107/S1600536805002886","","","1.54175","CuKα","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205204","7.0276","0.0007","7.5566","0.0006","10.2883","0.0008","90","","90.665","0.012","90","","546.32","0.08","296","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 Co K2 N6 Na -","- C6 Co K2 N6 Na -","- C12 Co2 K4 N12 Na2 -","2","0.5","BR6179","Ilyukhin, Andrey B.; Kotov, Vitalii Yu.","Dipotassium sodium hexacyanocobalt(III)","Acta Crystallographica Section E","2005","61","3","i26","i27","10.1107/S160053680500334X","","","0.71073","MoKα","","","0.0193","","","","0.0555","","","","","","0.998","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205205","34.037","0.003","8.3818","0.0007","13.0137","0.0011","90","","103.502","0.001","90","","3610.1","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1,2-di-4-pyridylethene)bis(5-hydroxylisophthalato)zirconium(II) monohydrate","","- C40 H32 N4 O11 Zr -","- C40 H32 N4 O11 Zr -","- C160 H128 N16 O44 Zr4 -","4","0.5","BR6180","Ya-Juan Zhao; Ruo-Wang Liu; Xin-Hua Li","Bis(1,2-di-4-pyridylethene)bis(5-hydroxyisophthalato)zirconium(II) monohydrate","Acta Crystallographica Section E","2005","61","3","m535","m537","10.1107/S1600536805003697","","","0.71073","MoKα","","0.0719","0.064","","","0.1843","0.194","","","","","","1.124","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205206","7.4749","0.0006","17.426","0.002","14.443","0.002","90","","101.087","0.008","90","","1846.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-4-(Ferrocenylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C22 H21 Fe N3 O -","- C22 H21 Fe N3 O -","- C88 H84 Fe4 N12 O4 -","4","1","BR6181","Wu, Hong-Fei; Wang, Hong-Xing","<i>trans</i>-4-(Ferrocenylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","3","m580","m581","10.1107/S1600536805004344","","","0.71073","MoKα","","0.0467","0.0329","","","0.0733","0.0761","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205207","4.5079","0.0013","12.556","0.004","7.135","0.002","90","","111.094","0.004","90","","376.79","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cerium(III) hydroxide sulfate","","- Ce H O5 S -","- Ce H O5 S -","- Ce4 H4 O20 S4 -","4","1","BR6182","Yan Yang; Li-Hong Zhu; Ming-Hua Zeng; Xiao-Long Feng","Cerium(III) hydroxide sulfate, Ce(OH)SO~4~","Acta Crystallographica Section E","2005","61","3","i41","i43","10.1107/S1600536805005179","","","0.71073","MoKα","","0.0165","0.0154","","","0.0395","0.04","","","","","","1.23","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205208","22.266","0.0005","10.658","0.0005","7.492","0.0005","90","","103.743","0.005","90","","1727.03","0.15","295","2","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(3-carboxyanilinium) hexafluorostannate(IV)","","","- C14 H16 F6 N2 O4 Sn -","- C14 H16 F6 N2 O4 Sn -","- C56 H64 F24 N8 O16 Sn4 -","4","0.5","BR6183","Bouacida, Sofiane; Merazig, Hocine; Beghidja, Adel; Beghidja, Chahrazed","Bis(3-carboxyanilinium) hexafluorostannate(IV)","Acta Crystallographica Section E","2005","61","3","m577","m579","10.1107/S160053680500512X","","","0.71073","MoKα","","0.0334","0.0269","","","0.0602","0.0627","","","","","","1.098","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205209","9.883","0.002","10.103","0.002","15.892","0.002","90","","106.59","0.01","90","","1520.7","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,5S)-1-Benzyl 2-tert-butyl 4-[N,N'-bis(tert-butyloxycarbonyl)hydrazino]-5-oxopyrrolidine-1,5-dicarboxylate","","- C27 H39 N3 O9 -","- C27 H39 N3 O9 -","- C54 H78 N6 O18 -","2","1","BT6586","Krzysztof Kaczmarek; Wojciech M. Wolf; Janusz Zabrocki","(2<i>S</i>,4<i>R</i>)-1-Benzyl 2-<i>tert</i>-butyl 4-[<i>N</i>,<i>N</i>'-bis(<i>tert</i>-butyloxycarbonyl)hydrazino]-5-oxopyrrolidine-1,2-dicarboxylate","Acta Crystallographica Section E","2005","61","3","o629","o631","10.1107/S1600536805003880","","","1.54178","CuKα","","0.1419","0.0522","","","0.1154","0.1581","","","","","","1.09","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205210","19.115","0.002","12.012","0.001","22.071","0.002","90","","90.024","0.001","90","","5067.7","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(μ-5-chloro-2-hydroxyacetophenone 4-nitrobenzoylhydrazonato)bis[dipyridinecadmium(II)]","","- C50 H40 Cd2 Cl2 N10 O8 -","- C50 H40 Cd2 Cl2 N10 O8 -","- C200 H160 Cd8 Cl8 N40 O32 -","4","0.5","BT6595","Ali, Hapipah M.; Kamalul Aripin, Nurul Fadhilah; Ng, Seik Weng","Bis(μ-5-chloro-2-hydroxyacetophenone 4-nitrobenzoylhydrazonato)bis[dipyridinecadmium(II)]","Acta Crystallographica Section E","2005","61","3","m433","m434","10.1107/S1600536805002953","","","0.71073","MoKα","","0.075","0.058","","","0.124","0.131","","","","","","1.15","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205211","12.486","0.002","9.443","0.001","16.839","0.002","90","","108.289","0.002","90","","1885.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[diaquahexapyridine-μ~2~-sulfato-dicobalt(II)]-μ-sulfato] tetrahydrate]","","- C30 H42 Co2 N6 O14 S2 -","- C30 H42 Co2 N6 O14 S2 -","- C60 H84 Co4 N12 O28 S4 -","2","0.5","BT6596","Ali, Hapipah M.; Puvaneswary, Subramaniam; Ng, Seik Weng","<i>catena</i>-Poly[[[diaquahexapyridine-μ-sulfato-dicobalt(II)]-μ-sulfato] tetrahydrate]","Acta Crystallographica Section E","2005","61","3","m474","m475","10.1107/S1600536805003429","","","0.71073","MoKα","","0.0591","0.0475","","","0.106","0.1114","","","","","","1.137","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205212","6.066","0.001","8.643","0.002","13.272","0.003","104.87","0.03","97.27","0.03","93.29","0.03","664.2","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[diaqua[3-(2-pyridyl)-1H-pyrazole-κN^2^]cadmium(II)]- μ-squarato-κ^2^O:O']","","- C12 H11 Cd N3 O6 -","- C12 H11 Cd N3 O6 -","- C24 H22 Cd2 N6 O12 -","2","1","BT6598","Huo, Li-Hua; Cheng, Xiao Li; Zhao, Hui; Ng, Seik Weng","<i>catena</i>-Poly[[diaqua[3-(2-pyridyl)-1<i>H</i>-pyrazole-κ<i>N</i>^2^]cadmium(II)]-μ-squarato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","3","m460","m462","10.1107/S1600536805003041","","","0.71073","MoKα","","0.024","0.022","","","0.072","0.073","","","","","","1.34","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205213","13.4048","0.0011","6.1275","0.0004","30.239","0.002","90","","94.81","0.003","90","","2475","0.3","120","2","120","2","","","","","","","","3","C 1 2 1","C 2y","5","","3β-Taraxerol","","- C30 H50 O -","- C30 H50 O -","- C120 H200 O4 -","4","1","BT6599","Kouam, Simeon F.; Flörke, Ulrich; Krohn, Karsten; Akhtar, M. Nadeem; Ngadjui, Bonaventure T.; Abegaz, Berhanu M.","3β-Taraxerol from <i>Bridelia micrantha</i>","Acta Crystallographica Section E","2005","61","3","o599","o600","10.1107/S1600536805003934","","","0.71073","MoKα","","0.0703","0.0519","","","0.1043","0.1097","","","","","","0.981","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205214","18.448","0.002","9.9631","0.0004","20.029","0.002","90","","108.422","0.005","90","","3492.7","0.5","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(1H-Indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C168 H144 N16 O40 -","8","1","BT6600","Christian Peifer; Schollmeyer, Dieter; Gerd Dannhardt","3-(1<i>H</i>-Indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1<i>H</i>-pyrrole-2,5-dione","Acta Crystallographica Section E","2005","61","3","o721","o723","10.1107/S1600536805004605","","","1.54178","CuKα","","0.0448","0.0441","","","0.1198","0.1205","","","","","","1.101","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205215","7.994","0.002","20.04","0.004","13.644","0.004","90","","106.586","0.012","90","","2094.8","0.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,6,7-Trimethoxy-2,3-dihydro-1H,8H-benzo[a]pyrrolo[3,4-c]carbazole-1,3-dione dimethyl sulfoxide solvate","","- C23 H22 N2 O6 S -","- C23 H22 N2 O6 S -","- C92 H88 N8 O24 S4 -","4","1","BT6601","Christian Peifer; Schollmeyer, Dieter; Gerd Dannhardt","5,6,7-Trimethoxy-2,3-dihydro-1<i>H</i>,8<i>H</i>-benzo[<i>a</i>]pyrrolo[3,4-<i>c</i>]carbazole-1,3-dione dimethyl sulfoxide solvate","Acta Crystallographica Section E","2005","61","3","o724","o725","10.1107/S160053680500485X","","","1.54178","CuKα","","0.1118","0.0756","","","0.1702","0.1874","","","","","","1.113","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205216","8.1986","0.0005","14.0252","0.0009","23.482","0.001","90","","90","","90","","2700.1","0.3","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Bharangin triacetate","6,10-bis(acetyloxy)-8-isopropyl-4,4,11a-trimethyl-2-oxo-2,3,4,6,11,11a- hexahydrobenzo[5,6]cyclohepta[1,2-b]pyran-9-yl acetate","","- C26 H32 O8 -","- C26 H32 O8 -","- C104 H128 O32 -","4","1","BT6602","Ravikumar, K.; Sridhar, B.; Marthanda Murthy, M.","A stereoisomer of bharangin triacetate","Acta Crystallographica Section E","2005","61","3","o687","o689","10.1107/S1600536805004617","","","0.71073","MoKα","","0.0632","0.0596","","","0.1551","0.158","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205217","9.339","0.003","5.766","0.003","24.662","0.009","90","","90.07","0.03","90","","1328","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cytosinium 3,5-dinitrosalicylate","6-amino-2-oxo-2,3-dihydropyrimidinium 3,5-dinitrosalicylate","","- C11 H9 N5 O8 -","- C11 H9 N5 O8 -","- C44 H36 N20 O32 -","4","1","BT6603","Graham Smith; Urs D. Wermuth; Peter C. Healy","Cytosinium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2005","61","3","o746","o748","10.1107/S160053680500499X","","","0.71069","MoKα","","0.105","0.0444","","","0.1193","0.1597","","","","","","0.926","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205218","9.966","0.002","12.079","0.002","16.345","0.002","90","","92.42","0.02","90","","1965.8","0.6","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Di-tert-butyl-6-(trimethylsilylethynyl)fulvene","","- C19 H30 Si -","- C19 H30 Si -","- C76 H120 Si4 -","4","1","BT6604","Berger, Harald; Bubenitschek, Peter; Hopf, Henning; Jones, Peter G.","1,3-Di-<i>tert</i>-butyl-6-(trimethylsilylethynyl)fulvene","Acta Crystallographica Section E","2005","61","3","o710","o711","10.1107/S1600536805004745","","","0.71073","MoKα","","0.0692","0.0512","","","0.1242","0.1387","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205219","9.1329","0.0008","18.882","0.002","8.8856","0.0007","90","","103.264","0.001","90","","1491.4","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[diethylenetriaminium [ferrate(III)-tri-μ-sulfato-κ^6^O:O'] monohydrate]","","- C4 H18 Fe N3 O13 S3 -","- C4 H18 Fe N3 O13 S3 -","- C16 H72 Fe4 N12 O52 S12 -","4","1","BT6605","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","<i>catena</i>-Poly[diethylenetriaminium [ferrate(III)-tri-μ-sulfato-κ^6^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2005","61","3","m593","m595","10.1107/S1600536805005349","","","0.71073","MoKα","","0.059","0.044","","","0.101","0.109","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205220","8.7918","0.0007","6.9963","0.0005","25.032","0.001","90","","90.289","0.002","90","","1539.7","0.18","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[hexamethylenediaminium [ferrate(III)-μ-hydroxo-κ^2^O:O-di-μ-sulfato-κ^4^O:O'] monohydrate]","","- C6 H21 Fe N2 O10 S2 -","- C6 H21 Fe N2 O10 S2 -","- C24 H84 Fe4 N8 O40 S8 -","4","1","BT6606","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","<i>catena</i>-Poly[hexamethylenediaminium [ferrate(III)-μ-hydroxo-κ^2^<i>O</i>:<i>O</i>-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2005","61","3","m596","m597","10.1107/S1600536805005350","","","0.71073","MoKα","","0.053","0.035","","","0.091","0.1","","","","","","0.994","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205221","10.249","0.001","13.648","0.001","16.082","0.002","90","","102.045","0.002","90","","2200","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[diethylenetriaminium(3+)] tris(sulfate) monohydrate","","- C8 H34 N6 O13 S3 -","- C8 H34 N6 O13 S3 -","- C32 H136 N24 O52 S12 -","4","0.5","BT6607","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","Bis[diethylenetriaminium(3+)] tris(sulfate) monohydrate","Acta Crystallographica Section E","2005","61","3","o772","o773","10.1107/S1600536805005362","","","0.71073","MoKα","","0.074","0.058","","","0.143","0.154","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205222","6.3192","0.0008","22.253","0.003","5.4903","0.0007","90","","90","","90","","772.05","0.17","295","2","295","2","","","","","","","","5","P n n m","-P 2 2n","58","","Trimethylenetetraaminium(4+) bis(sulfate) monohydrate","","- C6 H24 N4 O9 S2 -","- C6 H24 N4 O9 S2 -","- C12 H48 N8 O18 S4 -","2","0.25","BT6608","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","Triethylenetetraminium(4+) bis(sulfate) monohydrate","Acta Crystallographica Section E","2005","61","3","o774","o775","10.1107/S1600536805005477","","","0.71073","MoKα","","0.081","0.07","","","0.174","0.185","","","","","","1.14","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2205223","7.465","0.0015","8.067","0.0016","12.411","0.003","90","","98.16","0.03","90","","739.8","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(imidazolium) hexachlorotin(IV)","","- C6 H10 Cl6 N4 Sn -","- C6 H10 Cl6 N4 Sn -","- C12 H20 Cl12 N8 Sn2 -","2","0.5","BV6013","Zhang, Hui; Fang, Liang; Dronskowski, Richard; Kruse, Klaus; Yuan, Runzhang","Bis(imidazolium) hexachlorostannate(IV)","Acta Crystallographica Section E","2005","61","3","m543","m544","10.1107/S1600536805004770","","","0.71073","MoKα","","0.0204","0.0183","","","0.0453","0.0462","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205224","4.7272","0.0001","7.6955","0.0003","10.1387","0.0004","100.743","0.0013","96.0038","0.0015","99.3371","0.0018","354.09","0.02","150","","150","","","","","","","","","3","P -1","-P 1","2","","n-Butyl acetate","","- C6 H12 O2 -","- C6 H12 O2 -","- C12 H24 O4 -","2","1","CF6393","Howard A. Shallard-Brown; David J. Watkin; Andrew R. Cowley","<i>n</i>-Butyl acetate","Acta Crystallographica Section E","2005","61","3","o561","o562","10.1107/S1600536805000371","","","0.71073","MoKα","","0.0567","0.0399","","0.104","0.097","0.104","","","","","","0.9722","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205225","7.195","0.002","7.106","0.002","9.131","0.003","90","","92.866","0.005","90","","466.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3-(Imidazolidin-2-ylidene)-6-methyl-3,4,5,6-tetrahydro-2H-pyran-2,4-dione","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C18 H24 N4 O6 -","2","0.5","CF6397","Jing-Jun Hao; Hu Xu; Hai-Bing Song; You-Ming Wang; Zheng-Ming Li","3-(Imidazolidin-2-ylidene)-6-methyl-3,4,5,6-tetrahydro-2<i>H</i>-pyran-2,4-dione","Acta Crystallographica Section E","2005","61","3","o749","o750","10.1107/S1600536805004812","","","0.71073","MoKα","","0.0689","0.0446","","","0.1212","0.1377","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205226","9.653","0.002","9.78","0.002","19.179","0.004","90","","90","","90","","1810.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","phenylacy (2S,4S)-N-tert-butoxycarbonyl-4-hydroxyprolinate","Phenylacyl (2S,4S)-1-tert-butoxycarbonyl-4-hydroxyprolinate","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C72 H92 N4 O24 -","4","1","CF6401","Chabaud, Pauline; Worf, Monica; Courcambeck, Jérôme; Camplo, Michel; Pèpe, Gérard","Phenacyl (2<i>S</i>,4<i>S</i>)-1-<i>tert</i>-butoxycarbonyl-4-hydroxyprolinate","Acta Crystallographica Section E","2005","61","3","o792","o794","10.1107/S1600536805005404","","","0.71073","MoKα","","0.0439","0.0418","","","0.1308","0.1388","","","","","","0.899","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205227","9.7976","0.0009","14.3385","0.0013","11.9807","0.001","90","","94.534","0.004","90","","1677.8","0.3","299","1","299","1","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-Bis[(R)-2-hydroxy-2-phenylethyl]-N,N'-bis[(S)-1-phenylethyl]pyridine-2,6- dicarboxamide","","- C39 H39 N3 O4 -","- C39 H39 N3 O4 -","- C78 H78 N6 O8 -","2","1","CF6402","Sosa-Rivadeneyra, Martha; Quintero, Leticia; Anaya de Parrodi, Cecilia; Juaristi, Eusebio; Bernès, Sylvain","<i>N,N</i>'-Bis[(<i>R</i>)-2-hydroxy-2-phenylethyl]-<i>N,N</i>'-bis[(<i>S</i>)-1-phenylethyl]pyridine-2,6-dicarboxamide: stabilization of an asymmetric conformer through the formation of a double intramolecular hydrogen bond","Acta Crystallographica Section E","2005","61","3","o536","o538","10.1107/S160053680500228X","","","0.71073","MoKα","","0.0439","0.0358","","","0.0914","0.0967","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205228","15.532","0.004","11.119","0.003","23.247","0.005","90","","90","","90","","4014.8","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-tert-Butoxy-1-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yloxy)ethane","","- C21 H35 N O2 -","- C21 H35 N O2 -","- C168 H280 N8 O16 -","8","1","CF6403","Batsanov, Andrei S.; Reid, Alistair J.; Cameron, Neil","2-<i>tert</i>-Butoxy-1-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yloxy)ethane","Acta Crystallographica Section E","2005","61","3","o716","o717","10.1107/S1600536805004976","","","0.71073","MoKα","","0.0451","0.0389","","","0.1064","0.1144","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205229","21.662","0.002","16.726","0.002","7.405","0.001","90","","90","","90","","2683","0.5","295","2","295","2","","","","","","","","5","C m c a","-C 2ac 2","64","","catena-Poly[[μ-4,4'-bipyridine-bis[aquacopper(II)]]-di-μ-2-nitroterephthalato]","","- C26 H18 Cu2 N4 O14 -","- C26 H18 Cu2 N4 O14 -","- C104 H72 Cu8 N16 O56 -","4","","CF6404","He, Hong-Yin; Zhu, Long-Guan; Ng, Seik Weng","<i>catena</i>-Poly[[[μ-4,4'-bipyridine-bis[aquacopper(II)]]-di-μ-2-nitroterephthalato]","Acta Crystallographica Section E","2005","61","3","m601","m602","10.1107/S1600536805005751","","","0.71073","MoKα","","0.087","0.05","","","0.125","0.137","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2205230","6.8108","0.0008","11.0797","0.0012","13.3766","0.0015","75.862","0.002","84.841","0.002","81.296","0.002","966.09","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(4-nitrophenyl)methyleneimino]- 1H-pyrazole-3-carbonitrile","","- C18 H8 Cl2 F3 N5 O2 -","- C18 H8 Cl2 F3 N5 O2 -","- C36 H16 Cl4 F6 N10 O4 -","2","1","CF6405","Zhong, Ping; Yang, Zhiping; Shi, Qian","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(4-nitrophenyl)methyleneimino]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","3","o786","o787","10.1107/S1600536805005659","","","0.71073","MoKα","","0.07","0.0579","","","0.1523","0.1615","","","","","","1.038","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205231","12.818","0.003","13.026","0.003","16.554","0.004","90","","106.07","0.02","90","","2656","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N,N'-Bis(2,4-dimethylbenzene)-2,3-dimethyl-1,4-diazabuta-1,3-diene]- fac-tricarbonyl(trifluoroacetato)rhenium(I)","","- C25 H24 F3 N2 O5 Re -","- C25 H24 F3 N2 O5 Re -","- C100 H96 F12 N8 O20 Re4 -","4","1","CF6407","Kia, Reza; Mirkhani, Valiollah; Deák, Andrea; Kálmán, Alajos","[<i>N</i>,<i>N</i>'-Bis(2,4-dimethylbenzene)-2,3-dimethyl-1,4-diazabuta-1,3-diene]-<i>fac</i>-tricarbonyl(trifluoroacetato)rhenium(I)","Acta Crystallographica Section E","2005","61","3","m566","m567","10.1107/S1600536805005003","","","0.71073","MoKα","","0.1059","0.0417","","","0.0785","0.0869","","","","","","0.924","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205232","19.191","0.005","7.719","0.002","12.64","0.003","90","","94.845","0.018","90","","1865.7","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(2-chloro-1,4-dihydro-1,4-dioxonaphthalen-3-ylamino)-4-phenylthiazole-5- carboxylate","","- C22 H15 Cl N2 O4 S -","- C22 H15 Cl N2 O4 S -","- C88 H60 Cl4 N8 O16 S4 -","4","1","CF6409","Daniel E. Lynch; Ian McClenaghan","Ethyl 2-(2-chloro-1,4-dihydro-1,4-dioxonaphthalen-3-ylamino)-4-phenylthiazole-5-carboxylate","Acta Crystallographica Section E","2005","61","3","o790","o791","10.1107/S1600536805005647","","","0.71073","MoKα","","0.1162","0.0939","","","0.2312","0.2507","","","","","","1.143","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205233","40.922","0.006","6.8025","0.0009","15.151","0.002","90","","90","0.002","90","","4217.6","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(propane-1,2-diamine-κ^2^N,N')copper(II) terephthalate dihydrate","","- C14 H32 Cu N4 O8 -","- C14 H32 Cu N4 O8 -","- C112 H256 Cu8 N32 O64 -","8","1","CI6501","Lin, Zhi-Dong; Liu, Li-Ming; Lu, Jin-Yu; Meng, Xiang-Gao","Diaquabis(propane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II) terephthalate dihydrate","Acta Crystallographica Section E","2005","61","3","m590","m592","10.1107/S1600536805002977","","","0.71073","MoKα","","0.0569","0.0465","","","0.1319","0.1407","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205234","10.2104","0.0014","12.1592","0.0016","13.9932","0.0019","66.705","0.002","70.878","0.002","70.7","0.002","1466.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-4-bromoisophthalato)bis[bis(1,10-phenanthroline)manganese(II)] tetrahydrate","","- C64 H46 Br2 Mn2 N8 O12 -","- C64 H46 Br2 Mn2 N8 O12 -","- C64 H46 Br2 Mn2 N8 O12 -","1","0.5","CI6516","Hong-Ping Xiao; Mao-Lin Hu; Ji-Xin Yuan","Bis(μ-4-bromoisophthalato)bis[bis(1,10-phenanthroline)manganese(II)] tetrahydrate","Acta Crystallographica Section E","2005","61","3","m443","m445","10.1107/S1600536805003004","","","0.71073","MoKα","","0.0985","0.0754","","","0.1429","0.1525","","","","","","1.203","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205235","4.877","0.003","8.104","0.006","11.832","0.007","105.6","0.07","91.87","0.07","102.17","0.07","438.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-Methyl-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-3-ium chloride","","- C7 H9 Cl N4 O -","- C7 H9 Cl N4 O -","- C14 H18 Cl2 N8 O2 -","2","1","CI6518","Chernyshev, Ilya V.; Tursina, Anna I.","2-Methyl-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-<i>d</i>]pyrimidin-3-ium chloride, a product of the thermal decomposition of nimustine hydrochloride (ACNU)","Acta Crystallographica Section E","2005","61","3","o544","o546","10.1107/S1600536805002874","","","0.71073","MoKα","","0.1478","0.0376","","","0.0662","0.0863","","","","","","0.969","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205236","8.398","0.003","8.68","0.003","13.558","0.004","93.725","0.005","91.749","0.004","106.977","0.004","942","0.5","571","2","571","2","","","","","","","","6","P -1","-P 1","2","","k^2^O-copper(II)","","- C38 H30 Cl2 Cu N10 O8 -","- C38 H30 Cl2 Cu N10 O8 -","- C38 H30 Cl2 Cu N10 O8 -","1","0.5","CI6521","Zhang, Shu-Ping; Liu, Zhao-Di; Ma, Ji-Long; Yang, Song; Shao, Si-Chang","<i>trans</i>-Bis[4-(4-methylphenyl)-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole]diperchlorato-κ^2^<i>O</i>-copper(II)","Acta Crystallographica Section E","2005","61","3","m423","m424","10.1107/S1600536805002540","","","0.71073","MoKα","","0.0631","0.0423","","","0.0968","0.11","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205237","7.374","0.002","7.707","0.002","10.928","0.003","83.34","0.004","82.215","0.004","63.269","0.003","548.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Benzyloxy-3-nitropyridine","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C24 H20 N4 O6 -","2","1","CI6522","Cui, Yu; Liu, Hui-Min; Zhang, Wen-Qin","2-Benzyloxy-3-nitropyridine","Acta Crystallographica Section E","2005","61","3","o685","o686","10.1107/S1600536805004204","","","0.71073","MoKα","","0.0648","0.0401","","","0.1045","0.1127","","","","","","1.017","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205238","12.598","0.003","13.021","0.003","13.652","0.003","116.04","0.03","101.84","0.03","106.21","0.03","1787.3","1.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis(2-oxidonaphthalene-1-carbaldehyde benzoylhydrazonato)vanadium(IV) dichloromethane hexane hemisolvate","","- C40 H33 Cl2 N4 O4 V -","- C40 H33 Cl2 N4 O4 V -","- C80 H66 Cl4 N8 O8 V2 -","2","1","CI6524","Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","A trigonal prismatic coordination geometry for vanadium in bis(2-oxidonaphthalene-1-carbaldehyde benzoylhydrazonato)vanadium(IV) dichloromethane hexane hemisolvate","Acta Crystallographica Section E","2005","61","3","m519","m521","10.1107/S1600536805004174","","","0.71073","MoKα","","0.077","0.056","","","0.16","0.174","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205239","21.394","0.002","7.796","0.002","6.918","0.002","90","","93.7","0.02","90","","1151.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[(4-Fluorophenyl)methylenehydrazinocarbonyl]-1H-1,2,4-triazole monohydrate","","- C10 H10 F N5 O2 -","- C10 H10 F N5 O2 -","- C40 H40 F4 N20 O8 -","4","1","CI6525","Fu-You Pan; Jian-Guo Yang","3-[(4-Fluorophenyl)methylenehydrazinocarbonyl]-1<i>H</i>-1,2,4-triazole monohydrate","Acta Crystallographica Section E","2005","61","3","o712","o713","10.1107/S1600536805004162","","","0.71073","MoKα","","0.2202","0.0569","","","0.1315","0.1888","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205240","10.0183","0.0008","12.1239","0.001","13.4174","0.0011","91.415","0.002","101.451","0.002","112.473","0.001","1466.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(1-Benzoyl-1-phenylethyl)-3-phenylsulfanyl-1-phenylsulfonyl-1H-indole","","- C35 H27 N O3 S2 -","- C35 H27 N O3 S2 -","- C70 H54 N2 O6 S4 -","2","1","CI6526","Malathy Sony, S. M.; Palani, K.; Charles, P.; Ponnuswamy, M. N.; Sureshbabu, N.; Srinivasan, P. C.; Nethaji, M.","2-(1-Benzoyl-1-phenylethyl)-3-phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2005","61","3","o578","o580","10.1107/S1600536805003569","","","0.71073","MoKα","","0.0851","0.0615","","","0.1518","0.1678","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205241","5.9532","0.0008","8.1287","0.0001","38.848","0.005","90","","90","","90","","1879.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Purpuriol","[6-(benzoyloxy)-1,4,5-trihydroxycyclohex-2-en-1-yl]methyl benzoate","","- C21 H20 O7 -","- C21 H20 O7 -","- C84 H80 O28 -","4","1","CI6527","Supattra Angchuan; Suchada Chantrapromma; Hoong-Kun Fun; Chatchanok Karalai","[6-(Benzoyloxy)-1,4,5-trihydroxycyclohex-2-en-1-yl]methyl benzoate","Acta Crystallographica Section E","2005","61","3","o699","o701","10.1107/S1600536805004575","","","0.71073","MoKα","","0.0627","0.0549","","","0.1176","0.1208","","","","","","1.201","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205242","9.4496","0.0004","9.4496","0.0004","15.3237","0.0004","90","","90","","120","","1185.01","0.08","110","2","110","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Tris(biacetyl dihydrazone-κ^2^N,N')zinc(II) bis(perchlorate)","","- C12 H30 Cl2 N12 O8 Zn -","- C12 H30 Cl2 N12 O8 Zn -","- C24 H60 Cl4 N24 O16 Zn2 -","2","0.166667","CI6528","Helena Elengoz; Rinat Shoshnik; Israel Goldberg","Tris(biacetyl dihydrazone-κ^2^<i>N,N</i>')zinc(II) bis(perchlorate) at 110K","Acta Crystallographica Section E","2005","61","3","m538","m540","10.1107/S1600536805004757","","","0.71073","MoKα","","0.0512","0.0354","","","0.0814","0.0897","","","","","","0.982","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205243","9.5905","0.0007","9.5905","0.0007","15.2874","0.0008","90","","90","","120","","1217.72","0.14","110","2","110","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Tris(biacetyl dihydrazone-κ^2^N,N')cadmium(II) bis(perchlorate) at 110 K","","?","- C12 H30 Cd Cl2 N12 O8 -","- C24 H60 Cd2 Cl4 N24 O16 -","2","0.166667","CI6529","Einat Tirosh; Rozi Maman; Israel Goldberg","Tris(biacetyl dihydrazone-κ^2^<i>N</i>,<i>N</i>')cadmium(II) bis(perchlorate) at 110K","Acta Crystallographica Section E","2005","61","3","m541","m542","10.1107/S1600536805004769","","","0.71073","MoKα","","0.0459","0.0324","","","0.0839","0.0904","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205244","9.066","0.0018","10.283","0.002","11.889","0.002","90","","99.07","0.03","90","","1094.5","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-1-(propan-2-ylidene)thiosemicarbazide","","- C10 H13 N3 S -","- C10 H13 N3 S -","- C40 H52 N12 S4 -","4","1","CV6449","Fangfang Jian; Zhengshuai Bai; Hailian Xiao; Kai Li","4-Phenyl-1-(propan-2-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2005","61","3","o653","o654","10.1107/S1600536805004320","","","0.71073","MoKα","","0.0482","0.0373","","","0.1105","0.1185","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205245","9.3365","0.0011","22.824","0.005","9.3508","0.0012","90","","98.629","0.008","90","","1970.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(2,6-Diisopropylphenyl)iminomethyl]-2-naphthol","","- C23 H25 N O -","- C23 H25 N O -","- C92 H100 N4 O4 -","4","1","CV6451","Lin, Jin; Cui, Guang-Hua; Li, Jian-Rong; Xu, Shan-Sheng","3-{[(2,6-Diisopropylphenyl)imino]methyl}-2-naphthol","Acta Crystallographica Section E","2005","61","3","o627","o628","10.1107/S1600536805002035","","","0.71073","MoKα","","0.1176","0.0536","","","0.1332","0.1656","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205246","9.196","0.002","9.407","0.002","13.322","0.003","90","","90","","90","","1152.4","0.4","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,6-Diammonio-4-toluenesulfonate chloride dihydrate","","- C7 H15 Cl N2 O5 S -","- C7 H15 Cl N2 O5 S -","- C28 H60 Cl4 N8 O20 S4 -","4","0.5","CV6455","Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","2,6-Diammonio-4-toluenesulfonate chloride dihydrate","Acta Crystallographica Section E","2005","61","3","o612","o613","10.1107/S1600536805003922","","","0.71073","MoKα","","0.041","0.039","","","0.127","0.13","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205247","4.7521","0.0002","8.87","0.0004","13.1941","0.0006","73.916","0.002","81.771","0.002","74.706","0.002","513.98","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,3,5,6-Tetramethylpyrazine‒p-nitrophenol (1/2)","","- C20 H22 N4 O6 -","- C20 H22 N4 O6 -","- C20 H22 N4 O6 -","1","0.5","CV6456","Xiao-Qing Cai; Mao-Lin Hu; Ya-Juan Zhao; Ya-Qian Cheng; Shun Wang","2,3,5,6-Tetramethylpyrazine‒<i>p</i>-nitrophenol (1/2)","Acta Crystallographica Section E","2005","61","3","o614","o615","10.1107/S160053680500382X","","","0.71073","MoKα","","0.0809","0.0767","","","0.1667","0.1696","","","","","","1.273","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205248","17.1636","0.0009","16.518","0.0009","14.6151","0.0008","90","","100.798","0.001","90","","4070.1","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[diaqua(2-sulfonatobenzoato)nickel(II)]-μ-1,2-di-4- pyridylethylene] 0.25-hydrate]","","- C19 H18.5 N2 Ni O7.25 S -","- C19 H18 N2 Ni O7.25 S -","- C152 H144 N16 Ni8 O58 S8 -","8","1","CV6457","Xiao, Hong-Ping; Li, Xin-Hua; Hu, Mao-Lin","<i>catena</i>-Poly[[[diaqua(2-sulfonatobenzoato)nickel(II)]-μ-1,2-di-4-pyridylethylene] 0.25-hydrate]","Acta Crystallographica Section E","2005","61","3","m506","m508","10.1107/S1600536805003831","","","0.71073","MoKα","","0.0346","0.0315","","","0.0814","0.083","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205249","8.9306","0.0011","10.0106","0.0012","14.4694","0.0017","90","","94.02","0.01","90","","1290.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(Methoxyglycyl)carbonyl]tetrathiafulvalene","","- C10 H9 N O3 S4 -","- C10 H9 N O3 S4 -","- C40 H36 N4 O12 S16 -","4","1","CV6459","Batsanov, Andrei S.; Viles, Sarah L.; Moore, Adrian J.","4-[(Methoxyglycyl)carbonyl]tetrathiafulvalene","Acta Crystallographica Section E","2005","61","3","o648","o650","10.1107/S160053680500396X","","","0.71073","MoKα","","0.0342","0.0277","","","0.0718","0.0754","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205250","7.5493","0.0008","9.786","0.001","13.148","0.001","69.753","0.001","80.542","0.001","71.34","0.001","861.85","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(1,10-phenanthroline)lead(II)]-μ~5~-1,3-benzenedicarboxylato]","","- C20 H12 N2 O4 Pb -","- C20 H12 N2 O4 Pb -","- C40 H24 N4 O8 Pb2 -","2","1","CV6460","Wang, Hai-Dong; He, Hong-Yin; Wang, Yue-Jian; Zhu, Long-Guan; Ng, Seik Weng","Poly[[(1,10-phenanthroline)lead(II)]-μ~5~-1,3-benzenedicarboxylato]","Acta Crystallographica Section E","2005","61","3","m531","m532","10.1107/S1600536805004599","","","0.71073","MoKα","","0.034","0.028","","","0.056","0.059","","","","","","0.96","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205251","16.285","0.0004","11.6795","0.0003","10.7413","0.0003","90","","103.635","0.001","90","","1985.42","0.09","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Bis(2-cyanoethylsulfanyl)-6,7-bis(methylsulfanyl)tetrathiafulvalene","","- C14 H14 N2 S8 -","- C14 H14 N2 S8 -","- C56 H56 N8 S32 -","4","1","CV6462","Bond, Andrew D.; Jeppesen, Jan O.","2,3-Bis(2-cyanoethylsulfanyl)-6,7-bis(methylsulfanyl)tetrathiafulvalene","Acta Crystallographica Section E","2005","61","3","o765","o766","10.1107/S1600536805005489","","","0.71073","MoKα","","0.0542","0.0328","","","0.0818","0.0865","","","","","","1.137","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205252","9.7162","0.0001","14.3502","0.0002","15.8887","0.0001","71.175","0.003","79.856","0.003","78.059","0.001","2037.12","0.05","273","1","273","1","","","","","","","","6","P -1","-P 1","2","","dichloro[(RS)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl- κN^4^)pentan-3-ol]copper(II) ethanol tetrasolvate","","- C72 H112 Cl6 Cu N12 O8 -","- C72 H112 Cl6 Cu N12 O8 -","- C72 H112 Cl6 Cu N12 O8 -","1","0.5","DN6189","Pei-Zhi Zhang; Jun Wu","A copper(II) complex of the fungicide tebuconazole","Acta Crystallographica Section E","2005","61","3","m560","m562","10.1107/S1600536805004939","","","0.71069","MoKα","","0.0778","0.0505","","","0.1081","0.1177","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205253","14.2339","0.0008","7.7622","0.0004","17.801","0.001","90","","110.94","0.001","90","","1836.87","0.17","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[cis-diaqua(2,2'-bipyridine)copper(II)]-μ-3-carboxylato-4- hydroxybenzenesulfonato]","","- C17 H16 Cu N2 O8 S -","- C17 H16 Cu N2 O8 S -","- C68 H64 Cu4 N8 O32 S4 -","4","1","DN6199","Fan, Sai-Rong; Zhu, Long-Guan; Xiao, Hong-Ping; Ng, Seik Weng","Poly[[<i>cis</i>-diaqua(2,2'-bipyridine)copper(II)]-μ-3-carboxylato-4-hydroxybenzenesulfonato]","Acta Crystallographica Section E","2005","61","3","m509","m511","10.1107/S1600536805004022","","","0.71073","MoKα","","0.0566","0.0518","","","0.11","0.1122","","","","","","1.197","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205254","25.149","0.004","7.976","0.005","5.916","0.004","90","","90","","90","","1186.7","1.1","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Phenyl p-toluenesulfonate","Phenyl 4-toluenesulfonate","","- C13 H12 O3 S -","- C13 H12 O3 S -","- C52 H48 O12 S4 -","4","1","ER6006","Vadivelu Manivannan; Nagarajan Vembu; Maruthai Nallu; Kandasamy Sivakumar; Anthony Linden","Phenyl 4-toluenesulfonate: supramolecular aggregation through weak C—H···O and C—H···π interactions","Acta Crystallographica Section E","2005","61","3","o690","o692","10.1107/S1600536805001029","","","0.71069","MoKα","","0.0786","0.0669","","","0.1622","0.1767","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205255","8.418","0.003","11.517","0.005","15.363","0.006","90","","100.25","0.007","90","","1465.7","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chloro[2-(2,2'-bipyridyl-6-yl)-5-methylphenyl]platinum(II)","","- C17 H13 Cl N2 Pt -","- C17 H13 Cl N2 Pt -","- C68 H52 Cl4 N8 Pt4 -","4","1","ER6007","Qian-Yong Cao; Wen-Fu Fu; Xi-Juan Zhao","Chloro[2-(2,2'-bipyridyl-6-yl)-5-methylphenyl]platinum(II)","Acta Crystallographica Section E","2005","61","3","m427","m429","10.1107/S1600536805002746","","","0.71073","MoKα","","0.0481","0.0324","","","0.074","0.0808","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205256","8.8693","0.001","9.3982","0.001","9.7112","0.001","70.446","0.004","71.335","0.004","81.831","0.008","722.12","0.14","120","","120","","","","","","","","","4","P -1","-P 1","2","α-naphthyl p-toluenesulfonate","1-naphthyl 4-toluenesulfonate","","- C17 H14 O3 S -","- C17 H14 O3 S -","- C34 H28 O6 S2 -","2","1","FL6137","Vadivelu Manivannan; Nagarajan Vembu; Maruthai Nallu; Kandasamy Sivakumar; Frank R. Fronczek","1-Napthyl 4-toluenesulfonate: supramolecular aggregation through weak C—H···O and C—H···π interactions","Acta Crystallographica Section E","2005","61","3","o528","o530","10.1107/S160053680500276X","","","0.71073","MoKα","","0.0439","0.0356","","","0.0879","0.0924","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205257","14.51","0.004","11.223","0.004","17.887","0.005","90","","113.53","0.02","90","","2670.6","1.5","100","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","fac-Tricarbonyl(2,9-dimethyl-1,10-phenanthroline)(2,6-dimethylphenyl isocyanide)rhenium(I) hexafluorophosphate","","- C26 H21 F6 N3 O3 P Re -","- C26 H21 F6 N3 O3 P Re -","- C104 H84 F24 N12 O12 P4 Re4 -","4","1","FL6138","John M. Villegas; Stanislav R. Stoyanov; Curtis E. Moore; David M. Eichhorn; D. Paul Rillema","<i>fac</i>-Tricarbonyl(2,9-dimethyl-1,10-phenanthroline)(2,6-dimethylphenyl isocyanide)rhenium(I) hexafluorophosphate","Acta Crystallographica Section E","2005","61","3","m533","m534","10.1107/S1600536805004678","","","0.71073","MoKα","","","0.0211","","","","0.0514","","","","","","1.089","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2205258","9.7378","0.001","10.579","0.0009","15.2761","0.0015","90","","90","","90","","1573.7","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","mepivacaine hydrochloride","(2R)-2-(2,6-dimethylphenylaminocarbonyl)-1-methylpiperidinium chloride","","- C15 H23 Cl N2 O -","- C15 H23 Cl N2 O -","- C60 H92 Cl4 N8 O4 -","4","1","FL6144","Bambagiotti Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo; Giannellini, Valerio","(<i>R</i>)-(‒)-Mepivacaine hydrochloride enantiomer: a low-temperature study","Acta Crystallographica Section E","2005","61","3","o585","o586","10.1107/S1600536805003363","","","1.5418","CuKα","","0.0243","0.0224","","","0.0465","0.0468","","","","","","0.956","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205259","19.382","0.008","5.303","0.002","8.492","0.003","90","","93.126","0.006","90","","871.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(R,S)-1,4-bis(benzylsulfinyl)butane","","- C18 H22 O2 S2 -","- C18 H22 O2 S2 -","- C36 H44 O4 S4 -","2","0.5","FL6145","Jian-Rong Li; Ruo-Hua Zhang; Xian-He Bu","(<i>R</i>,<i>S</i>)-1,4-Bis(benzylsulfinyl)butane","Acta Crystallographica Section E","2005","61","3","o581","o582","10.1107/S1600536805003351","","","0.71073","MoKα","","0.1232","0.0685","","","0.1481","0.1652","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205260","11.5181","0.0018","13.8876","0.0015","13.9889","0.001","93.532","0.007","95.868","0.009","109.014","0.009","2093.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Poly[[bis(triphenylphosphine)mercury(II)]-μ-thiocyanato-cadmium(II)- tri-μ-thiocyanato]","","- C40 H30 Cd Hg N4 P2 S4 -","- C40 H30 Cd Hg N4 P2 S4 -","- C80 H60 Cd2 Hg2 N8 P4 S8 -","2","1","FL6146","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Sun, Hai Qing","Poly[[bis(triphenylphosphine)mercury(II)]-μ-thiocyanato-cadmium(II)-tri-μ-thiocyanato]","Acta Crystallographica Section E","2005","61","3","m548","m550","10.1107/S160053680500468X","","","0.71073","MoKα","","0.0454","0.0343","","","0.0747","0.0791","","","","","","1.051","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205261","17.041","0.004","4.8657","0.001","11.656","0.003","90","","130.91","0.003","90","","730.4","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","threo-3,4-dihydroxyhexane-2,5-dione","","- C6 H10 O4 -","- C6 H10 O4 -","- C24 H40 O16 -","4","0.5","FL6147","Fang Sheng; Chao-Hong He; Xian-Hui Liang; Wei-Ke Su","<i>threo</i>-3,4-Dihydroxyhexane-2,5-dione","Acta Crystallographica Section E","2005","61","3","o788","o789","10.1107/S1600536805005556","","","0.71073","MoKα","","0.0535","0.0479","","","0.123","0.1284","","","","","","1.047","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205262","10.0955","0.0007","9.85","0.0006","13.3756","0.0008","90","","111.226","0.005","90","","1239.85","0.14","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Methyl-N'-(1-methylethylidene)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide monohydrate","","- C10 H14 N4 O2 S -","- C10 H14 N4 O2 S -","- C40 H56 N16 O8 S4 -","4","1","FL6148","Mehmet Akkurt; Sema Öztürk Yıldırım; Fusun Ur; Zafer Cesur; Nesrin Cesur; Orhan Büyükgüngör","6-Methyl-<i>N</i>'-(1-methylethylidene)imidazo[2,1-<i>b</i>][1,3]thiazole-5-carbohydrazide monohydrate","Acta Crystallographica Section E","2005","61","3","o718","o720","10.1107/S160053680500509X","","","0.71073","MoKα","","0.0524","0.0391","","","0.0999","0.1074","","","","","","1.046","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205263","10.8447","0.0006","8.3527","0.0005","17.443","0.001","90","","96.257","0.001","90","","1570.62","0.16","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3,4-Tri-O-acetyl-β-L-fucopyranosyl azide","","- C12 H17 N3 O7 -","- C12 H17 N3 O7 -","- C48 H68 N12 O28 -","4","2","FL6149","Norris, Peter; Zeller, Matthias","2,3,4-Tri-<i>O</i>-acetyl-β-<small>L</small>-fucopyranosyl azide","Acta Crystallographica Section E","2005","61","3","o729","o730","10.1107/S1600536805005106","","","0.71073","MoKα","","0.0407","0.0386","","","0.1075","0.1096","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205264","24.541","0.005","11.537","0.002","14.897","0.003","90","","119.05","0.03","90","","3687.2","1.6","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pentazocine HCl","2-Hydroxy-5,9-dimethyl-2-(3-methylbuten-2-yl)-6,7-benzomorphanium chloride","","- C19 H28 Cl N O -","- C19 H28 Cl N O -","- C152 H224 Cl8 N8 O8 -","8","1","GH6013","Arvid Mostad.","A second polymorphic form of pentazocine hydrochloride at 105K","Acta Crystallographica Section E","2005","61","3","o726","o728","10.1107/S1600536805004903","","","0.71073","MoKα","","0.0401","0.0356","","","0.0973","0.1023","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205265","6.143","0.001","25.34","0.005","7.483","0.001","90","","97.58","0.03","90","","1154.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Catena-poly [aqua dicinnamate cadmium-u-1,4-diazabicyclo[2.2.2]octane]","","- C24 H28 Cd N2 O5 -","- C24 H28 Cd N2 O5 -","- C48 H56 Cd2 N4 O10 -","2","0.5","HB6110","Qu, Yang; Liu, Zhao-Di; Zhu, Hai-Liang; Tan, Min-Yu","<i>catena</i>-Poly[[aquadicinnamatocadmium]-μ-1,4-diazabicyclo[2.2.2]octane]","Acta Crystallographica Section E","2005","61","3","m420","m422","10.1107/S1600536804034282","","","0.71073","MoKα","","0.0481","0.0436","","","0.1129","0.1158","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205266","29.654","0.018","8.53","0.005","13.801","0.008","90","","95.829","0.01","90","","3473","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(pyridine-2-carboxylato-κ^2^0,N)cobalt(III) monohydrate","","- C18 H14 Co N3 O7 -","- C18 H14 Co N3 O7 -","- C144 H112 Co8 N24 O56 -","8","1","HB6144","Fu, Ai-Yun; Wang, Da-Qi","Tris(pyridine-2-carboxylato-κ^2^<i>O</i>,<i>N</i>)cobalt(III) monohydrate","Acta Crystallographica Section E","2005","61","3","m481","m482","10.1107/S160053680500317X","","","0.71073","MoKα","","0.0967","0.0501","","","0.0597","0.0656","","","","","","0.954","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205267","8.0529","0.0003","10.1125","0.0004","10.3508","0.0004","88.706","0.002","77.492","0.002","89.568","0.002","822.7","0.06","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","(4-tert-butylphenyl)phospha[1]ferrocenophane","","- C20 H21 Fe P -","- C20 H21 Fe P -","- C40 H42 Fe2 P2 -","2","1","HB6147","Cyr, Paul w.; Lough, Alan J.; Manners, Ian","(4-<i>tert</i>-Butylphenyl)phospha[1]ferrocenophane","Acta Crystallographica Section E","2005","61","3","m457","m459","10.1107/S1600536805003089","","","0.71073","MoKα","","0.0737","0.0626","","","0.1595","0.1654","","","","","","1.115","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205268","21.027","0.005","6.3196","0.0017","13.382","0.004","90","","102.354","0.016","90","","1737.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[[aqua(nitrato-κ^2^O,O')copper(II)]-μ-pyrazine-2-carboxylato- κ^3^N^1^,O:N^4^]","","- C5 H5 Cu N3 O6 -","- C5 H5 Cu N3 O6 -","- C40 H40 Cu8 N24 O48 -","8","1","HB6148","Bo Zheng; Gang Liu; Lei Gou; Dao-Yong Wang; Huai-Ming Hu","A one-dimensional coordination polymer of copper(II) with 2-pyrazinecarboxylate","Acta Crystallographica Section E","2005","61","3","m499","m501","10.1107/S1600536805003788","","","0.71073","MoKα","","0.1006","0.0473","","","0.0957","0.1106","","","","","","0.813","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205269","21.645","0.008","14.15","0.01","16.48","0.01","90","","97.51","0.03","90","","5004","5","296","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-Oxo-κ^2^O:O-bis[bis(1,10-phenanthroline-κ^2^N,N')(sulfato-κO)iron(III)] octahydrate","","- C48 H48 Fe2 N8 O17 S2 -","- C48 H48 Fe2 N8 O17 S2 -","- C192 H192 Fe8 N32 O68 S8 -","4","0.5","HB6149","Odoko, Mamiko; Okabe, Nobuo","μ-Oxo-κ^2^<i>O</i>:<i>O</i>-bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)iron(III)] octahydrate","Acta Crystallographica Section E","2005","61","3","m587","m589","10.1107/S1600536805005660","","","0.7107","MoKα","","","0.0374","","","","0.1156","","","","","","1.119","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205270","9.3183","0.0007","10.073","0.0009","12.4423","0.0009","90","","90","","90","","1167.87","0.16","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Trirubidium cobalt tetrachloride nitrate(V), Rb~3~CoCl~4~NO~3~","","- Cl4 Co N O3 Rb3 -","- Cl4 Co N O3 Rb3 -","- Cl16 Co4 N4 O12 Rb12 -","4","0.5","HB6150","Ouarsal, Rachid; Lachkar, Mohammed; Bolte, Michael; El Bali, Brahim","Trirubidium cobalt tetrachloride nitrate(V), Rb~3~CoCl~4~NO~3~","Acta Crystallographica Section E","2005","61","3","i44","i45","10.1107/S1600536805004289","","","0.71073","MoKα","","0.0248","0.02","","","0.0416","0.0428","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205271","9.5936","0.0005","11.3569","0.0005","13.9792","0.0007","90","","108.023","0.001","90","","1448.35","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[N-methylpiperazinium(2+) [[bis(oxalato-κ^2^-O,O')zirconate(IV)]-μ~2~-oxalato-κ^4^O,O':O'',O''']]","","- C11 H14 N2 O12 Zr -","- C11 H14 N2 O12 Zr -","- C44 H56 N8 O48 Zr4 -","4","1","HB6152","Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","<i>catena</i>-Poly[<i>N</i>-methylpiperazinium(2+) [[bis(oxalato-κ^2^<i>O</i>,<i>O</i>')zirconate(IV)]-μ~2~-oxalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']]","Acta Crystallographica Section E","2005","61","3","m491","m493","10.1107/S1600536805003806","","","0.71073","MoKα","","0.021","0.019","","","0.053","0.054","","","","","","1.06","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205272","9.58","0.002","13.416","0.002","10.743","0.002","90","","90","","90","","1380.7","0.4","295","","295","","","","","","","","","7","I b a m","-I 2 2c","72","","catena-poly[[[bis(ethylenediamine)platinum(II)]-μ-chloro- [bis(ethylenediamine)platinum(IV)]-μ-chloro] tetrakis(tetrafluoroborate)]","","- C8 H32 B4 Cl2 F16 N8 Pt2 -","- C8 H32 B4 Cl2 F16 N8 Pt2 -","- C16 H64 B8 Cl4 F32 N16 Pt4 -","2","0.125","HB6153","Matsushita, Nobuyuki","A one-dimensional Cl-bridged Pt^II^/Pt^IV^ mixed-valence complex, <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-μ-chloro-[bis(ethylenediamine)platinum(IV)]-μ-chloro] tetrakis(tetrafluoroborate)]","Acta Crystallographica Section E","2005","61","3","m514","m516","10.1107/S1600536805004113","","","0.71069","MoKα","","0.0474","0.0263","","","0.0609","0.0678","","","","","","1.068","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205273","8.975","0.0001","20.4196","0.0003","21.9152","0.0004","90","","90","","90","","4016.31","0.1","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Disodium cytidine-5'-monophosphate 6.07-hydrate methanol 0.27-solvate","","- C9.25 H22 N3 Na2 O14.38 P -","- C9.273 H21.8958 N3 Na2 O14.3799 P -","- C74.184 H175.166 N24 Na16 O115.039 P8 -","8","2","HB6154","Gonzalez, Susana Villa; Larsen, Kristofer; Nelson, William H.; Sagstuen, Einar; Görbitz, Carl Henrik","Disodium cytidine-5'-monophosphate 6.07-hydrate methanol 0.27-solvate","Acta Crystallographica Section E","2005","61","3","m554","m556","10.1107/S160053680500471X","","","0.71073","MoKα","","0.0369","0.0343","","","0.091","0.0924","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205274","8.824","0.002","8.824","0.002","27.733","0.01","90","","90","","90","","2159.4","1","293","2","293","2","","","","","","","","3","P 43","P 4cw","78","avicennin B","3,4-Dihydro-8-hydroxy-3,5-dimethyl-7-methoxyisocoumarin","","- C12 H14 O4 -","- C12 H14 O4 -","- C96 H112 O32 -","8","2","HG6126","Jun, Wang; Hua-Rong Huang; Xiao-Long Feng; Yong-Cheng Lin; Shi-Ning Zhou","3,4-Dihydro-8-hydroxy-3,5-dimethyl-7-methoxyisocoumarin (avicennin B)","Acta Crystallographica Section E","2005","61","3","o784","o785","10.1107/S1600536805002771","","","0.71073","MoKα","","0.0487","0.0381","","","0.1038","0.1107","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205275","14.1367","0.0012","7.9021","0.0008","16.8034","0.0016","90","","104.907","0.003","90","","1813.9","0.3","180","2","180","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","N,N-bis(2-pyridiniomethyl)glycine diperchlorate","","- C14 H17 Cl2 N3 O10 -","- C14 H17 Cl2 N3 O10 -","- C56 H68 Cl8 N12 O40 -","4","1","HG6129","Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J.","<i>N,N</i>-Bis(2-pyridiniomethyl)glycine diperchlorate","Acta Crystallographica Section E","2005","61","3","o516","o517","10.1107/S1600536805002503","","","0.71073","MoKα","","0.0854","0.0531","","","0.1267","0.143","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205276","7.836","0.001","8.228","0.001","14.046","0.002","90","","94.106","0.002","90","","903.3","0.2","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-bromo-2-chloroindan-1-one","","- C9 H6 Br Cl O -","- C9 H6 Br Cl O -","- C36 H24 Br4 Cl4 O4 -","4","1","HG6134","Yu, Pen-Shao; Thomas, Gareth D.; Blackman, Allan G.; Tan, Eng Wui","<i>trans</i>-3-Bromo-2-chloroindan-1-one","Acta Crystallographica Section E","2005","61","3","o651","o652","10.1107/S1600536805004150","","","0.71069","MoKα","","0.0378","0.0349","","","0.0918","0.0937","","","","","","1.132","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205277","11.1168","0.0003","14.2464","0.0003","11.8709","0.0003","90","","92.113","0.001","90","","1878.77","0.08","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N3 O -","- C22 H26 N3 O -","- C88 H104 N12 O4 -","4","2","HG6137","Qing Yuan; Shan-Zhong Jian; Yan-Guang Wang","4-(9-Acridin-9-ylamino)-2,2,6,6-tetramethylpiperidine <i>N</i>-oxide","Acta Crystallographica Section E","2005","61","3","o565","o566","10.1107/S1600536805003375","","","0.71073","MoKα","","","0.0443","","","","0.1197","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205278","13.119","0.002","13.314","0.002","14.918","0.003","98.917","0.004","90.842","0.004","110.201","0.004","2409.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ttt-(PPh3)2Cl2(CNbz)2Ru(II)","trans-trans-trans-(Dibenzylisocyanide-κC)dichlorobis(triphenylphosphine- κP)ruthenium(II) dichloromethane hemisolvate","","- C53 H46 Cl4 N2 P2 Ru -","- C53 H46 Cl4 N2 P2 Ru -","- C106 H92 Cl8 N4 P4 Ru2 -","2","1","HG6141","Look, Jennifer L.; Horwood, Owen P. M.; Levendis, Demetrius C.; Coville, Neil J.","<i>trans</i>-<i>trans</i>-<i>trans</i>-Bis(benzyl isocyanide-κ<i>C</i>)dichlorobis(triphenylphosphine-κ<i>P</i>)ruthenium(II) dichloromethane solvate","Acta Crystallographica Section E","2005","61","3","m606","m608","10.1107/S1600536805005052","","","0.71073","MoKα","","0.1004","0.0502","","","0.1121","0.1318","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205279","11.398","0.004","18.283","0.006","11.659","0.004","90","","115.69","0.005","90","","2189.5","1.3","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[lithium(I)-μ-1-tert-butyl-3-(3-pyridyl)-N,N'-bis(trimethylsilyl) propane-1,3-diiminato]","","- C18 H32 Li N3 Si2 -","- C18 H32 Li N3 Si2 -","- C72 H128 Li4 N12 Si8 -","4","1","HG6142","Xia Chen; Li Wang; Jian-Ping Guo; Shu-Ping Huang; Dian-Sheng Liu","<i>catena</i>-Poly[lithium(I)-μ-1-<i>tert</i>-butyl-3-(3-pyridyl)-<i>N</i>,<i>N</i>'-bis(trimethylsilyl)propane-1,3-diiminato]","Acta Crystallographica Section E","2005","61","3","m574","m576","10.1107/S1600536805005210","","","0.71073","MoKα","","0.118","0.0545","","","0.0593","0.0654","","","","","","0.838","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205280","10.05","0.003","16.492","0.005","10.737","0.005","90","","101.94","0.02","90","","1741.1","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2-methyl-5-oxo-4-(2-thienyl)-1,5,7,8,9,10-hexahydro-4H- pyrido[2',3':3,4]pyrrolo[1,2-a][1,3]diazepine-3-carboxylate","","- C18 H19 N3 O3 S -","- C18 H19 N3 O3 S -","- C72 H76 N12 O12 S4 -","4","1","HG6144","Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan; Svoboda, Ingrid","Methyl 2-methyl-5-oxo-4-(2-thienyl)-1,5,7,8,9,10-hexahydro-4<i>H</i>-pyrido[2',3':3,4]pyrrolo[1,2-<i>a</i>][1,3]diazepine-3-carboxylate","Acta Crystallographica Section E","2005","61","3","o733","o735","10.1107/S1600536805005209","","","0.71069","MoKα","","0.0849","0.058","","","0.167","0.1905","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205281","5.3155","0.0014","8.108","0.002","11.737","0.003","90","","90.196","0.01","90","","505.8","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","meso-1,2-bis(pyridin-2-yl)-ethane-1,2-diol","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","0.5","HG6145","Bjernemose, Jens K.; Bond, Andrew D.","<i>meso</i>-1,2-Bis(pyridin-2-yl)ethane-1,2-diol","Acta Crystallographica Section E","2005","61","3","o741","o742","10.1107/S1600536805005222","","","0.71073","MoKα","","0.0724","0.0588","","","0.1381","0.1473","","","","","","1.108","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205282","7.321","0.002","8.234","0.002","8.354","0.002","62.05","0.03","65.34","0.03","74.04","0.03","402.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","3-Ammonio-4-methoxybenzenesulfonate","","- C7 H9 N O4 S -","- C7 H9 N O4 S -","- C14 H18 N2 O8 S2 -","2","1","IS6043","Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","3-Ammonio-4-methoxybenzenesulfonate","Acta Crystallographica Section E","2005","61","3","o539","o540","10.1107/S160053680500293X","","","0.71073","MoKα","","0.03","0.028","","","0.083","0.084","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205283","20.792","0.003","8.247","0.001","15.097","0.002","90","","111.778","0.002","90","","2403.9","0.6","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-[(4-Hydroxy-3-methoxyphenyl)methylene]-2,4-pentanedione","","- C13 H14 O4 -","- C13 H14 O4 -","- C104 H112 O32 -","8","1","IS6044","Pei, Li-Xia; Bu, Xian-Zhang; Gu, Lian-Quan; Ng, Seik Weng","3-[(4-Hydroxy-3-methoxyphenyl)methylene]-2,4-pentanedione","Acta Crystallographica Section E","2005","61","3","o541","o543","10.1107/S1600536805002941","","","0.71073","MoKα","","0.052","0.041","","","0.126","0.137","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205284","25.342","0.005","44.671","0.005","5.7889","0.0009","90","","90","","90","","6553.3","1.8","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","tetrakis[(4-bromobenzyloxy)methyl]methane","","- C33 H32 Br4 O4 -","- C33 H32 Br4 O4 -","- C264 H256 Br32 O32 -","8","0.5","IS6045","Laliberté, Dominic; Raymond, Nathalie; Maris, Thierry; Wuest, James D.","Pentaerythrityl tetrakis(4-bromobenzyl ether)","Acta Crystallographica Section E","2005","61","3","o601","o603","10.1107/S160053680500351X","","","1.54178","CuKα","","0.0569","0.0547","","","0.1631","0.1653","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205285","8.9105","0.0007","9.0601","0.0007","10.5488","0.0008","66.158","0.001","68.752","0.001","88.391","0.001","718.94","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[tetrapyridinecopper(II)]-μ~2~-naphthalene-1,5-disulfonato]","","- C30 H26 Cu N4 O6 S2 -","- C30 H26 Cu N4 O6 S2 -","- C30 H26 Cu N4 O6 S2 -","1","0.5","IS6047","Gao, Shan; Huo, Li-Hua; Zhu, Zhi-Bao; Ng, Seik Weng","<i>catena</i>-Poly[[tetrapyridinecopper(II)]-μ~2~-naphthalene-1,5-disulfonato]","Acta Crystallographica Section E","2005","61","3","m476","m477","10.1107/S1600536805003156","","","0.71073","MoKα","","0.055","0.047","","","0.128","0.133","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205286","12.2223","0.0018","15.017","0.002","11.3182","0.0016","90","","92.026","0.003","90","","2076.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(2,2'-bipyridine)nickel(II)]-μ-4,4'-oxydibenzoato]","","- C24 H16 N2 Ni O5 -","- C24 H16 N2 Ni O5 -","- C96 H64 N8 Ni4 O20 -","4","1","IS6048","Hong-Ping Xiao; Ya-Qian Cheng; Xin-Hua Li","<i>catena</i>-Poly[[(2,2'-bipyridine)nickel(II)]-μ-4,4'-oxydibenzoato]","Acta Crystallographica Section E","2005","61","3","m469","m470","10.1107/S1600536805003405","","","0.71073","MoKα","","0.061","0.0463","","","0.0921","0.0976","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205287","12.3571","0.0011","12.6397","0.0012","15.3369","0.0012","67.286","0.003","89.668","0.003","75.133","0.002","2124","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Tris(phenanthroline-κ^2^N,N')nickel(II) dibromosuccinate pentahydrate","","- C40 H40 Br2 N6 Ni O11 -","- C40 H40 Br2 N6 Ni O11 -","- C80 H80 Br4 N12 Ni2 O22 -","2","1","IS6049","Dai-Xi Li; Duan-Jun Xu; Yuan-Zhi Xu","Tris(phenanthroline-κ^2^<i>N,N</i>')nickel(II) dibromosuccinate heptahydrate","Acta Crystallographica Section E","2005","61","3","m471","m473","10.1107/S1600536805003399","","","0.71073","MoKα","","0.079","0.052","","","0.12","0.133","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205288","8.1208","0.0017","11.307","0.004","13.022","0.003","83.58","0.02","82.954","0.019","79.53","0.02","1162","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Azido(2,2'-bipyridine)(η^5^-pentamethylcyclopentadienyl)iridium(III) hexafluorophosphate","","- C20 H23 F6 Ir N5 P -","- C20 H23 F6 Ir N5 P -","- C40 H46 F12 Ir2 N10 P2 -","2","1","IS6050","Suzuki, Takayoshi","Azido(2,2'-bipyridine)(η^5^-pentamethylcyclopentadienyl)iridium(III) hexafluorophosphate","Acta Crystallographica Section E","2005","61","3","m488","m490","10.1107/S1600536805003727","","","0.71069","MoKα","","0.0674","0.0493","","","0.1263","0.1381","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205289","10.0156","0.0002","12.0767","0.0002","20.6483","0.0005","90","","90","","90","","2497.52","0.09","260","2","260","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3,5-dinitrobenzoic acid DMSO solvate","3,5-dinitrobenzoic acid‒dimethyl sulfoxide (1/1)","","- C9 H10 N2 O7 S -","- C9 H10 N2 O7 S -","- C72 H80 N16 O56 S8 -","8","1","JH6000","Abthorpe, M.; Trask, A. V.; Jones, W.","3,5-Dinitrobenzoic acid‒dimethyl sulfoxide (1/1)","Acta Crystallographica Section E","2005","61","3","o609","o611","10.1107/S1600536805003818","","","0.71073","MoKα","","0.0666","0.0454","","","0.1201","0.134","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205290","12.6986","0.0008","12.5724","0.0006","18.9151","0.001","90","","95.635","0.004","90","","3005.2","0.3","150","","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Chloro-3-(2,3,5-trimethylphenoxy)phthalonitrile","","- C17 H13 Cl N2 O -","- C17 H13 Cl N2 O -","- C136 H104 Cl8 N16 O8 -","8","2","KP6035","Yazıcı, Serap; Akdemir, Nesuhi; Ağar, Erbil; Kantar, Cihan; Şenel, İsmet","4-Chloro-3-(2,3,5-trimethylphenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","3","o782","o783","10.1107/S1600536805003193","","","0.71073","MoKα","","0.053","0.0416","","","0.1128","0.1163","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205291","11.784","0.002","14.838","0.003","29.143","0.006","90","","93.26","0.03","90","","5087.4","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Heptaammonium disodium decatungstolanthanate hexadecahydrate","","- H60 La N7 Na2 O52 W10 -","- La N7 Na2 O52 W10 -","- La4 N28 Na8 O208 W40 -","4","0.5","KP6036","Almeida Paz, Filipe A.; Balula, Maria Salete S.; Cavaleiro, Ana M. V.; Klinowski, Jacek; Nogueira, Helena I. S.","A lanthanum(III) complex with a lacunary polyoxotungstate: Na~2~(NH~4~)~7~[La(W~5~O~18~)~2~]·16H~2~O","Acta Crystallographica Section E","2005","61","3","i28","i31","10.1107/S1600536805003557","","","0.71073","MoKα","","0.0367","0.031","","","0.0781","0.0812","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205292","9.0002","0.0005","15.0542","0.0007","27.4541","0.0014","90","","90","","90","","3719.8","0.3","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Asparaginyl-L-valine","","- C9 H19.67 N3 O5.33 -","- C9 H19.6667 N3 O5.33333 -","- C108 H236 N36 O64 -","12","3","KP6037","Hanne Therese Bonge; Marianne Lenes Rosenberg; Marit Riktor; Görbitz, Carl Henrik","<small>L</small>-Asparaginyl-<small>L</small>-valine 1.33-hydrate","Acta Crystallographica Section E","2005","61","3","o524","o527","10.1107/S1600536805001868","","","0.71073","MoKα","","0.0406","0.0317","","","0.0816","0.0862","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205293","9.537","0.001","9.95","0.001","11.363","0.001","94.156","0.002","107.839","0.002","113.535","0.002","917.31","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[(2,2'-bipyridine)copper(II)]-hemi(μ~2~-2-nitroterephthalato)hemi(μ~4~- 2-nitroterephthalato)] monohydrate]","","- C18 H13 Cu N3 O7 -","- C18 H13 Cu N3 O7 -","- C36 H26 Cu2 N6 O14 -","2","1","KP6038","Ma, Ai-Qing; Zhu, Long-Guan; Ng, Seik Weng","Poly[[[(2,2'-bipyridine)copper(II)]-hemi-μ~2~-2-nitroterephthalato-hemi-μ~4~-2-nitroterephthalato] monohydrate]","Acta Crystallographica Section E","2005","61","3","m483","m484","10.1107/S1600536805003466","","","0.71073","MoKα","","0.0802","0.0518","","","0.0995","0.1083","","","","","","0.905","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205294","9.2495","0.0009","10.0013","0.001","17.2359","0.0016","90","","90","","90","","1594.4","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 4-O-benzyl-6-deoxy-2,3-O-isopropylidene-α-L-talopyranoside","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","KP6039","Maust, Mathew T.; Norris, Peter; Zeller, Matthias","Methyl 4-<i>O</i>-benzyl-6-deoxy-2,3-<i>O</i>-isopropylidene-α-<small>L</small>-talopyranoside","Acta Crystallographica Section E","2005","61","3","o643","o644","10.1107/S1600536805003600","","","0.71073","MoKα","","0.0398","0.039","","","0.0979","0.0987","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205295","6.808","0.002","18.77","0.009","8.256","0.003","90","","105.84","0.03","90","","1014.9","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,6,7,8-tetrahydro-4aH-thieno[3,2-b]quinolizin-4(10H)-one","","- C11 H13 N O S -","- C11 H13 N O S -","- C44 H52 N4 O4 S4 -","4","1","KP6040","Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan; Žák, Zdirad","5,6,7,8-Tetrahydro-4a<i>H</i>-thieno[3,2-<i>b</i>]quinolizin-4(10<i>H</i>)-one","Acta Crystallographica Section E","2005","61","3","o573","o574","10.1107/S1600536805003454","","","0.71073","MoKα","","0.0524","0.0374","","","0.1026","0.1137","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205296","10.259","0.002","8.775","0.002","21.813","0.004","90","","101.93","0.03","90","","1921.3","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[triaquabarium(II)]-di-μ~3~-3-carboxybenzenesulfonato]","","- C14 H16 Ba O13 S2 -","- C14 H16 Ba O13 S2 -","- C56 H64 Ba4 O52 S8 -","4","1","KP6042","Gao, Shan; Zhu, Zhi-Biao; Huo, Li-Hua; Ng, Seik Weng","Polymeric triaquabis(μ~3~-3-carboxybenzenesulfonato)barium(II)","Acta Crystallographica Section E","2005","61","3","m517","m518","10.1107/S1600536805004265","","","0.71073","MoKα","","0.019","0.017","","","0.046","0.046","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205297","22.274","0.004","5.715","0.001","10.443","0.002","90","","92.56","0.03","90","","1328","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[diaquabarium(II)]-μ~6~-1,5-naphthalenedisulfonato]","","- C10 H10 Ba O8 S2 -","- C10 H10 Ba O8 S2 -","- C40 H40 Ba4 O32 S8 -","4","0.5","KP6043","Gao, Shan; Zhu, Zhi-Biao; Huo, Li-Hua; Ng, Seik Weng","Polymeric diaqua(μ~6~-1,5-naphthalenedisulfonato)barium(II)","Acta Crystallographica Section E","2005","61","3","m528","m530","10.1107/S1600536805004514","","","0.71073","MoKα","","0.027","0.027","","","0.065","0.065","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205298","6.5692","0.0014","12.365","0.003","13.878","0.003","67.312","0.004","80.447","0.004","86.74","0.004","1025.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]- 5-[(4-dimethylaminobenzylidene)amino]-1H-pyrazole-3-carbonitrile","","- C20 H14 Cl2 F3 N5 -","- C20 H14 Cl2 F3 N5 -","- C40 H28 Cl4 F6 N10 -","2","1","KP6044","Chen, Dimei; Yang, Zhiping; Zhong, Ping; Hu, Maolin","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(4-dimethylaminobenzylidene)amino]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","3","o702","o703","10.1107/S1600536805004654","","","0.71073","MoKα","","0.0774","0.0659","","","0.176","0.1858","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205299","8.5222","0.0008","10.6245","0.0007","12.3742","0.0012","90","","93.697","0.011","90","","1118.08","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(1,2-dimethoxyethane-κ^2^O,O')diiodostrontium(II)","","- C12 H30 I2 O6 Sr -","- C12 H30 I2 O6 Sr -","- C24 H60 I4 O12 Sr2 -","2","1","LH6326","Weber, Frank; Wolmershäuser, Gotthelf; Sitzmann, Helmut","The tris(dimethoxyethane) adduct of strontium iodide","Acta Crystallographica Section E","2005","61","3","m512","m513","10.1107/S1600536804031617","","","0.71073","MoKα","","0.0436","0.0374","","","0.0888","0.0917","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205300","8.901","0.001","10.506","0.0012","14.5942","0.0015","92.522","0.009","104.923","0.008","106.33","0.008","1255.5","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","5-(4-Methoxybenzoyl)-4-(4-methoxyphenyl)-1-[1-(4- methoxyphenyl)ethylideneamino]pyrimidin-2(1H)-one","","- C28 H25 N3 O5 -","- C28 H25 N3 O5 -","- C56 H50 N6 O10 -","2","1","LH6345","Özçelik, Suzan; Dinçer, Muharrem; Sarıpınar, Emin; Yılmaz, Çiğdem","5-(4-Methoxybenzoyl)-4-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)ethylideneamino]pyrimidin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","3","o622","o624","10.1107/S1600536805003703","","","0.71073","MoKα","","0.0851","0.0405","","","0.0798","0.0889","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205301","16.097","0.002","3.7144","0.0005","21.725","0.002","90","","110.758","0.007","90","","1214.6","0.3","93.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C64 H40 N16 O8 -","4","1","LH6350","Imoda, Tomohiko; Hirota, Tsuyoshi; Takahashi, Hiroo; Mizuguchi, Jin","3,6-Di-2-pyridylpyrrolo[3,4-<i>c</i>]pyrrole-1,4(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","3","o616","o618","10.1107/S1600536805002126","","","1.5418","CuKα","","","0.0913","","","","0.3457","","","","","","1.905","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205302","28.723","0.015","7.269","0.005","26.824","0.009","90","","123.61","0.03","90","","4664","5","225","2","225","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetrakis(4-carboxyphenyl)methane‒dimethyl sulfoxide‒toluene (1/4/1)","4,4',4'',4'''-methanetetrayltetracarboxylic acid‒dimethyl sulfoxide‒toluene (1/4/1)","","- C44 H52 O12 S4 -","- C44 H52 O12 S4 -","- C176 H208 O48 S16 -","4","0.5","LH6355","Nadia Malek; Thierry Maris; Michel Simard; James D. Wuest","Tetrakis(4-carboxyphenyl)methane‒dimethyl sulfoxide‒toluene (1/4/1)","Acta Crystallographica Section E","2005","61","3","o518","o520","10.1107/S1600536805002485","","","1.54178","CuKα","","0.079","0.0657","","","0.182","0.1903","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205303","8.111","0.003","12.999","0.007","16.256","0.005","90","","100.76","0.03","90","","1683.8","1.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,7RS,8RS)-N-Benzoyltricyclo[6.2.2.0^2,7^]dodeca-9,11-diene-1,10- dicarboximide","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","LH6356","McSweeney, Nigel; Pratt, Albert C.; Long, Conor; Howie, R. Alan","(1<i>RS</i>,2<i>S</i><i>R</i>,7<i>RS</i>,8<i>RS</i>)-<i>N</i>-Benzoyltricyclo[6.2.2.0^2,7^]dodeca-9,11-diene-1,10-dicarboximide","Acta Crystallographica Section E","2005","61","3","o547","o549","10.1107/S1600536805002758","","","0.71073","MoKα","","0.1699","0.0876","","","0.1637","0.1922","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205304","18.725","0.004","19.623","0.004","15.647","0.003","90","","113.82","0.01","90","","5259.6","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Aqua{2-[(E)-(3,5-dibromo-2-oxidophenyl)methyleneamino]ethanesulfonato- κ^3^O,N,O'}(1,10-phenanthroline-κ^2^N,N')nickel(II) ethanol solvate","","- C23 H23 Br2 N3 Ni O6 S -","- C23 H23 Br2 N3 Ni O6 S -","- C184 H184 Br16 N24 Ni8 O48 S8 -","8","1","LH6357","Shu-Hua Zhang; Yi-Min Jiang; L. Zheng; Kai-Bei Yu","Aqua{2-[(<i>E</i>)-(3,5-dibromo-2-oxidophenyl)methyleneamino]ethanesulfonato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) ethanol solvate","Acta Crystallographica Section E","2005","61","3","m446","m448","10.1107/S1600536805003119","","","0.71073","MoKα","","0.114","0.0442","","","0.0838","0.0933","","","","","","0.801","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205305","8.453","0.0015","8.656","0.0012","10.7923","0.0012","105.221","0.01","98.919","0.012","116.4","0.013","647.9","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","(3-Mesyl-4-methoxyphenyl)glyoxylic acid methyl ester","Methyl [4-methoxy-3-(methylsulfonyloxy)benzoyl]formate","","- C11 H12 O7 S -","- C11 H12 O7 S -","- C22 H24 O14 S2 -","2","1","LH6359","Schollmeyer, Dieter; Christian Peifer; Gerd Dannhardt","Methyl [4-methoxy-3-(methylsulfonyloxy)benzoyl]formate","Acta Crystallographica Section E","2005","61","3","o583","o584","10.1107/S1600536805003478","","","1.54178","CuKα","","0.0461","0.0442","","","0.1226","0.1244","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205306","14.0827","0.0017","17.674","0.003","7.2238","0.0004","90","","90","","90","","1798","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(3-hydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro- 1H-pyrrole-2,5-dione","","- C20 H19 N O7 -","- C20 H19 N O7 -","- C80 H76 N4 O28 -","4","1","LH6360","Schollmeyer, Dieter; Christian Peifer; Gerd Dannhardt","4-(3-Hydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1<i>H</i>-pyrrole-2,5-dione","Acta Crystallographica Section E","2005","61","3","o604","o606","10.1107/S1600536805003685","","","1.54178","CuKα","","0.0624","0.0513","","","0.1352","0.1452","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205307","18.8196","0.0007","18.4938","0.0008","13.5023","0.0006","90","","90","","90","","4699.4","0.3","180","2","180","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Acetato(methanol)[N-phenyl-N,N-bis(2-pyridylmethyl)amine]copper(II) hexafluorophosphate","","- C21 H24 Cu F6 N3 O3 P -","- C21 H24 Cu F6 N3 O3 P -","- C168 H192 Cu8 F48 N24 O24 P8 -","8","1","LH6362","Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J.","Acetato(methanol)[<i>N</i>-phenyl-<i>N,N</i>-bis(2-pyridylmethyl)amine]copper(II) hexafluorophosphate","Acta Crystallographica Section E","2005","61","3","m478","m480","10.1107/S160053680500348X","","","0.71073","MoKα","","0.0565","0.04","","","0.1132","0.1196","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205308","7.259","0.0006","25.872","0.003","7.425","0.0015","90","","90","","90","","1394.5","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Terpyridine Dioxide Dihydrate","2,2':6',2''-Terpyridine 1,1''-dioxide dihydrate","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","0.5","LH6363","Wheeler, Kraig A.; McKay, Scott E.; Lashlee III, Robert W.","2,2':6',2''-Terpyridine 1,1''-dioxide dihydrate","Acta Crystallographica Section E","2005","61","3","o645","o647","10.1107/S1600536805003855","","","0.71073","MoKα","","0.0856","0.052","","","0.1335","0.1559","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205309","14.059","0.003","16.336","0.002","7.356","0.003","90","","90","","90","","1689.4","0.8","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl (2,3,4-tetra-O-acetyl-β-D-glucopyranosyl azide)uronate","Methyl 2,3,4-tetra-O-acetyl-1-azido-1-deoxy-β-D-glucopyranuronate","","- C13 H17 N3 O9 -","- C13 H17 N3 O9 -","- C52 H68 N12 O36 -","4","1","LH6365","Brendon L. Wilkinson; Laurent F. Bornaghi; Todd A. Houston; Sally-Ann Poulsen; Peter C. Healy","Methyl 2,3,4-tri-<i>O</i>-acetyl-1-azido-1-deoxy-β-<small>D</small>-glucopyranuronate at room temperature","Acta Crystallographica Section E","2005","61","3","o738","o740","10.1107/S1600536805004381","","","0.7107","MoKα","","0.1009","0.0405","","","0.1021","0.1239","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205310","11.6984","0.0002","13.0662","0.0002","13.941","0.0003","111.507","0.0009","90.647","0.0009","115.49","0.0009","1752.94","0.06","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","Chloro{μ-2-[(E)-1-(2-oxido-3- methylphenyl)ethylideneamino]acetato}pentaphenylditin(IV)","","- C41 H36 Cl N O3 Sn2 -","- C41 H36 Cl N O3 Sn2 -","- C82 H72 Cl2 N2 O6 Sn4 -","2","1","LH6366","Linden, Anthony; Basu Baul, Tushar S.; Masharing, Cheerfulman","Chloro{μ-2-[(<i>E</i>)-1-(2-oxido-3-methylphenyl)ethylideneamino]acetato}pentaphenylditin(IV)","Acta Crystallographica Section E","2005","61","3","m557","m559","10.1107/S1600536805004666","","","0.71073","MoKα","","0.062","0.0445","","","0.1074","0.1132","","","","","","1.199","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205311","16.4538","0.0019","5.3346","0.0005","17.952","0.002","90","","114.709","0.009","90","","1431.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzaldehyde oxime","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","LH6368","Gaonkar, Santhosh L.; Yathirajan, Hemmige S.; Lokanatharai, Kuriya M.; Nagaraj, Basavegowda; Bolte, Michael","4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzaldehyde oxime","Acta Crystallographica Section E","2005","61","3","o751","o752","10.1107/S1600536805005192","","","0.71073","MoKα","","0.0651","0.0491","","","0.1203","0.1287","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205312","18.0117","0.0005","20.208","0.0006","12.8156","0.0005","90","","90","","90","","4664.6","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(1,1,1,5,5,5-hexafluoroacetylacetonato-κ^2^O,O')bis(tetrahydrofuran- κN)iron(II)","","- C18 H18 F12 Fe O6 -","- C18 H18 F12 Fe O6 -","- C144 H144 F96 Fe8 O48 -","8","2","LH6396","Preuss, Kathryn E.; Wu, Jian; Jennings, Michael, C.","Bis(1,1,1,5,5,5-hexafluoroacetylacetonato-κ^2^<i>O,O</i>')bis(tetrahydrofuran-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2005","61","3","m430","m432","10.1107/S1600536805002734","","","0.71073","MoKα","","0.0656","0.0435","","","0.1014","0.1125","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205313","8.6677","0.001","18.5082","0.0018","8.9746","0.001","90","","111.95","0.009","90","","1335.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2-Bromo-4,5-dimethoxybenzyl)thiazolidine-2,4-dione","","- C12 H12 Br N O4 S -","- C12 H12 Br N O4 S -","- C48 H48 Br4 N4 O16 S4 -","4","1","NC6020","Yathirajan, Hemmige S.; Gaonkar, Santhosh L.; Lokanatha Rai, Kuriya M.; Bolte, Michael","3-(2-Bromo-4,5-dimethoxybenzyl)thiazolidine-2,4-dione","Acta Crystallographica Section E","2005","61","3","o655","o656","10.1107/S1600536805004137","","","0.71073","MoKα","","0.037","0.0319","","","0.0759","0.0776","","","","","","1.158","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205314","10.4244","0.001","15.9819","0.0016","6.0919","0.0007","90","","90","","90","","1014.92","0.18","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Di-tert-butylphosphine oxide","","- C8 H19 O P -","- C8 H19 O P -","- C32 H76 O4 P4 -","4","0.5","NC6021","Dornhaus, Franz; Lerner, Hans-Wolfram; Bolte, Michael","Di-<i>tert</i>-butylphosphine oxide","Acta Crystallographica Section E","2005","61","3","o657","o658","10.1107/S1600536805004332","","","0.71073","MoKα","","0.0429","0.0386","","","0.1102","0.114","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205315","7.6974","0.0006","7.8682","0.0006","19.1907","0.0016","79.823","0.006","84.248","0.007","64.22","0.006","1029.77","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4'-[2-Butyl-4-chloro-5-(hydroxyiminomethyl)-1H-imidazol-3-ylmethyl]biphenyl- 2-carbonitrile","","- C22 H21 Cl N4 O -","- C22 H21 Cl N4 O -","- C44 H42 Cl2 N8 O2 -","2","1","NC6022","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Narasegowda, Rajenahally S.; Bolte, Michael","4'-[2-Butyl-4-chloro-5-(hydroxyiminomethyl)-1<i>H</i>-imidazol-3-ylmethyl]biphenyl-2-carbonitrile","Acta Crystallographica Section E","2005","61","3","o714","o715","10.1107/S1600536805004988","","","0.71073","MoKα","","0.047","0.0429","","","0.1024","0.1052","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205316","7.2545","0.001","7.2018","0.0009","7.7886","0.0013","90","","97.819","0.012","90","","403.14","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Nipecotic acid hydrochloride","3-carboxypiperidinium chloride","","- C6 H12 Cl N O2 -","- C6 H12 Cl N O2 -","- C12 H24 Cl2 N2 O4 -","2","1","NC6023","Narasegowda, Rajenahally S.; Yathirajan, Hemmige S.; Bolte, Michael","Nipecotic acid hydrochloride","Acta Crystallographica Section E","2005","61","3","o763","o764","10.1107/S1600536805005337","","","0.71073","MoKα","","0.0225","0.0221","","","0.057","0.0573","","","","","","1.103","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205317","10.615","0.0006","14.914","0.0005","17.3961","0.0009","90","","102.263","0.004","90","","2691.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-[4'-(Bromomethyl)biphenyl-2-yl]-2-trityl-2H-tetrazole","","- C33 H25 Br N4 -","- C33 H25 Br N4 -","- C132 H100 Br4 N16 -","4","1","NC6024","Nagaraj, Basavegowda; Narasegowda, Rajenahally S.; Yathirajan, Hemmige S.; Gaonkar, Santhosh L.; Bolte, Michael","5-[4'-(Bromomethyl)biphenyl-2-yl]-2-trityl-2<i>H</i>-tetrazole","Acta Crystallographica Section E","2005","61","3","o767","o768","10.1107/S1600536805005490","","","0.71073","MoKα","","0.0543","0.0443","","","0.0979","0.1023","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205318","9.2861","0.0011","9.5829","0.0012","18.438","0.003","90","","90.75","0.004","90","","1640.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Nitrato-κO)(1,10-phenanthroline-κ^2^N,N')(picolinato N-oxide- κ^2^O,O')copper(II)","","- C18 H12 Cu N4 O6 -","- C18 H12 Cu N4 O6 -","- C72 H48 Cu4 N16 O24 -","4","1","NG6094","Lei Gou; Xiong-Wei Qu; Bo Zheng; Dao-Yong Wang; Huai-Ming Hu","(Nitrato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N,N</i>')(picolinato <i>N</i>-oxide-κ^2^<i>O,O</i>')copper(II)","Acta Crystallographica Section E","2005","61","3","m441","m442","10.1107/S1600536805002515","","","0.71073","MoKα","","0.0499","0.0339","","","0.0756","0.0786","","","","","","0.91","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205319","13.237","0.003","6.6598","0.0013","9.6849","0.0019","90","","92.27","0.03","90","","853.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquazinc(II) naphthalene-1,5-disulfonate'","","- C10 H18 O12 S2 Zn -","- C10 H18 O12 S2 Zn -","- C20 H36 O24 S4 Zn2 -","2","0.5","NG6100","Huo, Li-Hua; Gao, Shan; Xu, Shixiao; Zhao, Hui","Hexaaquazinc(II) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2005","61","3","m449","m450","10.1107/S1600536805003120","","","0.71073","MoKα","","0.0238","0.0222","","","0.0605","0.0615","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205320","10.58","0.003","11.356","0.003","11.492","0.003","116.06","0.02","100.32","0.02","104.936","0.014","1128.4","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[bis(1H-benzimidazole-κN^3^)zinc(II)]-μ-3-carboxyphenoxyacetato- κ^2^O:O']","","- C23 H18 N4 O5 Zn -","- C23 H18 N4 O5 Zn -","- C46 H36 N8 O10 Zn2 -","2","1","NG6101","Gao, Shan; Huo, Li-Hua; Liu, Ji-Wei; Gu, Chang-Sheng","<i>catena</i>-Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)zinc(II)]-μ-3-carboxyphenoxyacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","3","m494","m495","10.1107/S1600536805003661","","","0.71073","MoKα","","0.1082","0.0604","","","0.1321","0.1512","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205321","9.5043","0.0019","9.812","0.002","11.584","0.002","70.73","0.03","67.49","0.03","83.26","0.03","942","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[aqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]-μ-4- carboxyphenoxyacetato-κ^3^O,O':O'']","","- C21 H16 Co N2 O6 -","- C21 H16 Co N2 O6 -","- C42 H32 Co2 N4 O12 -","2","1","NG6102","Gao, Shan; Huo, Li-Hua; Gu, Chang-Sheng; Liu, Ji-Wei; Zhao, Jing-Gui","<i>catena</i>-Poly[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-4-carboxyphenoxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section E","2005","61","3","m496","m498","10.1107/S1600536805003673","","","0.71073","MoKα","","0.0612","0.0514","","","0.1297","0.136","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205322","7.8331","0.0013","8.2205","0.0014","12.894","0.002","88.237","0.004","83.013","0.004","79.382","0.003","810","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Bis(pyridinium) tetrabromocobaltate(II)","","- C10 H12 Br4 Co N2 -","- C10 H12 Br4 Co N2 -","- C20 H24 Br8 Co2 N4 -","2","1","NG6109","Zhang, Hui; Fang, Liang; Yuan, Runzhang","Bis(pyridinium) tetrabromocobaltate(II)","Acta Crystallographica Section E","2005","61","3","m609","m610","10.1107/S1600536805005714","","","0.71073","MoKα","","0.1284","0.0609","","","0.1218","0.1574","","","","","","0.993","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205323","9.9141","0.0002","43.1674","0.0008","15.7682","0.0003","90","","104.67","0.0005","90","","6528.3","0.2","473.2","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H57 Cl Ir4 Mo4 O16 S -","- C60.5 H57 Cl Ir4 Mo4 O16 S -","- C242 H228 Cl4 Ir16 Mo16 O64 S4 -","4","1","OB6455","Lucas, Nigel T.; Humphrey, Mark G.; Willis, Anthony C.","[μ~8~-η^4^-2,5-Bis(oct-1-ynyl)thiophene]bis[octacarbonylbis(η^5^-methylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum] dichloromethane hemisolvate","Acta Crystallographica Section E","2005","61","3","m463","m464","10.1107/S160053680500214X","","","0.7107","MoKα","","0.0378","0.0263","","0.0365","","0.0337","","","0.97","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205324","23.26","0.002","13.872","0.002","15.182","0.003","90","","93.79","0.04","90","","4888","1.3","298","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H44 Mn2 N8 Ni O6 -","- C44 H40 Mn2 N8 Ni O6 -","- C176 H160 Mn8 N32 Ni4 O24 -","4","2","OB6463","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","(<i>SP</i>-4-1)-Bis{aqua[(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-bis(salicylidene)cyclohexane-1,2-diamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III)}-di-μ-cyano-κ^4^<i>N</i>:<i>C</i>-[dicyanonickel(II)]","Acta Crystallographica Section E","2005","61","3","m502","m505","10.1107/S160053680500379X","","","0.7107","MoKα","","","0.0913","","","","0.2896","","","","","","1.065","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205325","8.1127","0.0007","10.9405","0.0009","13.9263","0.0011","77.147","0.007","83.542","0.007","76.749","0.007","1170.54","0.17","296","","296","","","","","","","","","4","P -1","-P 1","2","","5-(4-Methoxybenzoyl)-4-(4-methoxyphenyl)1-[1-(4- methoxyphenyl)ethylidenenamino]pyrimidin-2(1H)-one","","- C27 H23 N3 O5 -","- C27 H23 N3 O5 -","- C54 H46 N6 O10 -","2","1","OB6471","Özçelik, Suzan; Dinçer, Muharrem; Sarıpınar, Emin; Yılmaz, Çiğdem","5-(4-Methoxybenzoyl)-4-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)ethylidenenamino]pyrimidin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","3","o637","o638","10.1107/S1600536805004149","","","0.71073","MoKα","","0.0843","0.051","","","0.1283","0.1431","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205326","32.394","0.004","21.167","0.003","13.013","0.0015","90","","93.467","0.002","90","","8906","2","288","2","288","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris{trans-4-[p-(N,N-diethylamino)styryl]-N-methylpyridinium} dodecatungstophosphate","","- C54 H69 N6 O40 P W12 -","- C54 H69 N6 O40 P W12 -","- C216 H276 N24 O160 P4 W48 -","4","1","OB6472","Xuejie Tan; Sixiu Sun; Shu-Lian Liu; Jian-Ping Ma; Dian-Xiang Xing","Tris{<i>trans</i>-4-[<i>p</i>-(<i>N</i>,<i>N</i>-diethylamino)styryl]-<i>N</i>-methylpyridinium} dodecatungstophosphate","Acta Crystallographica Section E","2005","61","3","m437","m440","10.1107/S1600536805002928","","","0.71073","MoKα","","0.102","0.0779","","","0.194","0.2137","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205327","8.711","0.002","18.005","0.003","12.5175","0.0018","90","","107.66","0.02","90","","1870.7","0.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{3-[(E)-(3,4-Dimethoxyphenyl)ethenyl]-5,5-dimethylcyclohex-2- enylidene}malononitrile","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","OB6473","Tsonko Kolev; Denitsa Yancheva; Boris Shivachev; Rosica Petrova; Michael Spiteller","2-{3-[(<i>E</i>)-(3,4-Dimethoxyphenyl)ethenyl]-5,5-dimethylcyclohex-2-enylidene}malononitrile","Acta Crystallographica Section E","2005","61","3","o550","o552","10.1107/S1600536805003016","","","0.71073","MoKα","","0.1885","0.0579","","","0.0945","0.1242","","","","","","0.964","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205328","9.986","0.003","11.682","0.003","12.222","0.004","117.17","0.02","103.69","0.02","92.56","0.02","1213","0.7","93.2","","","","","","","","","","","3","P -1","-P 1","2","","1,4:8,11:15,18:22,25-Tetraethano-29H,31H-tetrabenzo[b,g,l,q]porphine toluene trisolvate","","- C65 H62 N4 -","- C65 H62 N4 -","- C65 H62 N4 -","1","0.5","OB6474","Aramaki, Shinji; Sakai, Yoshimasa; Yanagisawa, Hiroyuki; Mizuguchi, Jin","1,4:8,11:15,18:22,25-Tetraethano-29<i>H</i>,31<i>H</i>-tetrabenzo[<i>b</i>,<i>g</i>,<i>l</i>,<i>q</i>]porphine toluene trisolvate","Acta Crystallographica Section E","2005","61","3","o659","o661","10.1107/S1600536805004228","","","1.5418","CuKα","","","0.0734","","","","0.1974","","","","","","1.259","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205329","7.8042","0.0011","7.3159","0.0011","21.753","0.003","90","","90","","90","","1242","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,3-Bis(pyrimidin-2-ylsulfanyl)propan-2-one","","- C11 H10 N4 O S2 -","- C11 H10 N4 O S2 -","- C44 H40 N16 O4 S8 -","4","0.5","OB6475","Wu, Ben-Lai; Lou, Ben-Yong; Han, Lei; Hong, Mao-Chun","1,3-Bis(pyrimidin-2-ylsulfanyl)propan-2-one","Acta Crystallographica Section E","2005","61","3","o594","o595","10.1107/S1600536805003715","","","0.71073","MoKα","","0.0944","0.0615","","","0.0949","0.1062","","","","","","1.151","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2205330","4.903","0.006","29.26","0.04","13.96","0.02","90","","97.65","0.06","90","","1985","5","93.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 N4 O6 -","- C52 H40 N4 O6 -","- C104 H80 N8 O12 -","2","0.5","OB6476","Hino, Kazuyuki; Mizuguchi, Jin","<i>N</i>,<i>N</i>'-Bis[2-(4-pyridyl)ethyl]perylene-3,4:9,10-bis(dicarboximide) <i>m</i>-cresol disolvate","Acta Crystallographica Section E","2005","61","3","o672","o674","10.1107/S1600536805004447","","","1.5419","CuKα","","","0.1003","","","","0.1183","","","","","","0.995","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205331","42.071","0.001","8.6042","0.0001","19.9088","0.0001","90","","96.096","0.002","90","","7165.98","0.19","296.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Chloro(4,7-diphenyl-1,10-phenanthroline)(2,2':6',2''-terpyridine)ruthenium(II) hexafluorophosphate","","- C39 H27 Cl F6 N5 P Ru -","- C39 H27 Cl F6 N5 P Ru -","- C312 H216 Cl8 F48 N40 P8 Ru8 -","8","1","OB6477","Naokazu Yoshikawa; Nobuko Kanehisa; Yasushi Kai; Hiroshi Takashima; Keiichi Tsukahara","Chloro(4,7-diphenyl-1,10-phenanthroline)(2,2':6',2''-terpyridine)ruthenium(II) hexafluorophosphate","Acta Crystallographica Section E","2005","61","3","m545","m547","10.1107/S1600536805004691","","","0.7107","MoKα","","","0.083","","","","0.2008","","","","","","1.738","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205332","6.6461","0.0005","14.2172","0.001","14.9057","0.001","90","","100.261","0.001","90","","1385.9","0.17","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(2-Chloro-5-phenyl-3-pyridinyl)(hydroxy)methyl]acrylonitrile","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","1","OB6479","G. Y. S. K. Swamy; K. Ravikumar; P. Narender; V. Jayathirtha Rao","2-[(2-Chloro-5-phenyl-3-pyridinyl)(hydroxy)methyl]acrylonitrile","Acta Crystallographica Section E","2005","61","3","o706","o707","10.1107/S1600536805004551","","","0.71073","MoKα","","0.0454","0.0404","","","0.1144","0.1189","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205333","12.5354","0.0007","12.6028","0.0007","14.312","0.0008","90","","90","","90","","2261","0.2","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2-[(2-Chloro-5-ethyl-3-pyridinyl)(hydroxy)methyl]acrylonitrile","","- C11 H11 Cl N2 O -","- C11 H11 Cl N2 O -","- C88 H88 Cl8 N16 O8 -","8","1","OB6480","G. Y. S. K. Swamy; K. Ravikumar; P. Narender; V. Jayathirtha Rao","2-[(2-Chloro-5-ethyl-3-pyridinyl)(hydroxy)methyl]acrylonitrile","Acta Crystallographica Section E","2005","61","3","o708","o709","10.1107/S1600536805004563","","","0.71073","MoKα","","0.0464","0.0409","","","0.1219","0.1271","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205334","6.513","0.002","12.182","0.002","12.2","0.002","89.36","0.01","81.11","0.01","76.81","0.02","930.8","0.4","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H36 N4 O6 -","- C50 H36 N4 O6 -","- C50 H36 N4 O6 -","1","0.5","OB6481","Mizuguchi, Jin; Hino, Kazuyuki","<i>N,N</i>'-Bis[2-(4-pyridyl)ethyl]perylene-3,4:9,10-bis(dicarboximide) phenol disolvate","Acta Crystallographica Section E","2005","61","3","o669","o671","10.1107/S1600536805004459","","","1.5418","CuKα","","","0.0389","","","","0.0984","","","","","","0.782","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205335","10.282","0.002","17.433","0.003","11.664","0.002","90","","106.51","0.01","90","","2004.5","0.6","93.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Cl6 N4 -","- C46 H40 Cl6 N4 -","- C92 H80 Cl12 N8 -","2","0.5","OB6482","Aramaki, Shinji; Sakai, Yoshimasa; Yanagisawa, Hiroyuki; Senju, Takatoshi; Mizuguchi, Jin","(1<i>RS</i>,4<i>S</i><i>R</i>,8<i>S</i><i>R</i>,11<i>RS</i>,15<i>S</i><i>R</i>,18<i>RS</i>,22<i>RS</i>,25<i>S</i><i>R</i>)-1,4:8,11:15,18:22,25-Tetraethano-29<i>H</i>,31<i>H</i>-tetrabenzo[<i>b,g,l,q</i>]porphine chloroform disolvate","Acta Crystallographica Section E","2005","61","3","o675","o677","10.1107/S1600536805004435","","","1.5418","CuKα","","","0.125","","","","0.311","","","","","","1.324","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205336","13.436","0.004","8.811","0.002","13.924","0.004","90","","102.03","0.004","90","","1612.2","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","mer-Bis(diethylenetriamine)zinc(II) dichloride monohydrate","","- C8 H28 Cl2 N6 O Zn -","- C8 H28 Cl2 N6 O Zn -","- C32 H112 Cl8 N24 O4 Zn4 -","4","1","OB6483","Liu, Bing; Huo, Fang-Jun; Jiang, Xiao-Ming; Yang, Bing-Sheng","<i>mer</i>-Bis(diethylenetriamine)zinc(II) dichloride monohydrate","Acta Crystallographica Section E","2005","61","3","m598","m600","10.1107/S160053680500560X","","","0.71073","MoKα","","0.0598","0.0412","","","0.0764","0.0812","","","","","","0.954","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205337","14.425","0.001","7.6138","0.0005","18.129","0.001","90","","111.776","0.001","90","","1849","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[cis-diaqua(2,2'-bipyridine)cobalt(II)]-μ-3-carboxylato-4- hydroxybenzenesulfonato]","","- C17 H16 Co N2 O8 S -","- C17 H16 Co N2 O8 S -","- C68 H64 Co4 N8 O32 S4 -","4","1","OM6227","Fan, Sai-Rong; Zhu, Long-Guan; Xiao, Hong-Ping; Ng, Seik Weng","<i>catena</i>-Poly[[<i>cis</i>-diaqua(2,2'-bipyridine)cobalt(II)]-μ-3-carboxylato-4-hydroxybenzenesulfonato]","Acta Crystallographica Section E","2005","61","3","m435","m436","10.1107/S1600536805002904","","","0.71073","MoKα","","0.074","0.072","","","0.167","0.168","","","","","","1.34","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205338","12.008","0.003","25.192","0.006","7.0192","0.0012","90","","90","","90","","2123.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16β-Bromo-17α-hydroxypregn-4-ene-3,20-dione methanol solvate","","- C22 H33 Br O4 -","- C22 H33 Br O4 -","- C88 H132 Br4 O16 -","4","1","RN6036","Shi Wang; Yongli Wang; Qiang Nie; Aishuang Xiang; Lina Zhou","16β-Bromo-17α-hydroxypregn-4-ene-3,20-dione methanol solvate","Acta Crystallographica Section E","2005","61","3","o563","o564","10.1107/S1600536805002813","","","0.71073","MoKα","","0.0905","0.0662","","","0.1754","0.1922","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205339","6.893","0.001","7.078","0.001","24.754","0.005","96.41","0.03","90.83","0.03","108.49","0.03","1136.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[]tetraaqua(3-carboxy-4-hydroxybenzenesulfonato)strontium(II)]- μ~3~-3-carboxy-4-hydroxybenzenesulfonato] dihydrate]","","- C14 H22 O18 S2 Sr -","- C14 H22 O18 S2 Sr -","- C28 H44 O36 S4 Sr2 -","2","1","RN6039","Dao-Li An; Shan Gao; Li-Hua Huo; Jian-Rong Li","<i>catena</i>-Poly[[[tetraaqua(3-carboxy-4-hydroxybenzenesulfonato)strontium(II)]-μ~3~-3-carboxy-4-hydroxybenzenesulfonato] dihydrate]","Acta Crystallographica Section E","2005","61","3","m417","m419","10.1107/S1600536805002801","","","0.71073","MoKα","","0.0358","0.0275","","","0.0595","0.0619","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205340","8.1951","0.0019","8.762","0.002","10.619","0.003","82.472","0.003","77.181","0.003","79.873","0.003","728.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(2,5-di-3-pyridyl-1,3,4-oxadiazole)dithiocyanatomanganese(II)","","- C26 H20 Mn N10 O6 S2 -","- C26 H20 Mn N10 O4 S2 -","- C26 H20 Mn N10 O4 S2 -","1","0.5","RN6041","Miao Du; Xiu-Juan Jiang; Xiao-Jun Zhao","Diaquabis(2,5-di-3-pyridyl-1,3,4-oxadiazole)dithiocyanatomanganese(II): a three-dimensional supramolecular network formed through O—H···N and C—H···S interactions","Acta Crystallographica Section E","2005","61","3","m485","m487","10.1107/S1600536805003764","","","0.71073","MoKα","","0.0462","0.0346","","","0.0925","0.099","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205341","6.1468","0.0013","11.261","0.002","12.9983","0.0007","114.775","0.01","92.134","0.011","100.408","0.01","797","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tert-Butyl 4-[2-(methoxycarbonyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C30 H46 N2 O8 -","2","1","RN6042","Ramos Silva, Manuela; Matos Beja, Ana; Paixao, Jose Antonio; Lopes, Susana H.; Cabral, Ana M. T. D. P. V.; Rocha Gonsalves, A. M. d'A.; Sobral, Abilio J. F. N.","<i>tert</i>-Butyl 4-[2-(methoxycarbonyl)ethyl]-3,5-dimethyl-1<i>H</i>-pyrrole-2-carboxylate","Acta Crystallographica Section E","2005","61","3","o575","o577","10.1107/S1600536805003533","","","0.71073","MoKα","","0.0519","0.043","","","0.1199","0.1295","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205342","6.106","0.002","9.293","0.003","11.58","0.004","101.875","0.008","97.89","0.006","98.59","0.008","626.2","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Tetramethylpyrazine‒endo-norbornene-cis-5,6-dicarboxylic acid (1/2)","","- C13 H16 N O4 -","- C13 H16 N O4 -","- C26 H32 N2 O8 -","2","1","RN6043","Mao-Lin Hu; Zhi-Min Jin; Ya-Juan Zhao; Di-Mei Chen; Shun Wang; Xiao-Qing Cai","Tetramethylpyrazine‒<i>endo</i>-norbornene-<i>cis</i>-5,6-dicarboxylic acid (1/2)","Acta Crystallographica Section E","2005","61","3","o731","o732","10.1107/S1600536805005283","","","0.71073","MoKα","","0.1489","0.0962","","","0.2598","0.3261","","","","","","1.217","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205343","12.838","0.007","16.25","0.009","17.221","0.009","90","","102.376","0.011","90","","3509","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 O5 -","- C38 H54 O5 -","- C152 H216 O20 -","4","1","RZ6032","Zhi-Yun Du; Yu-Fang Wang; Xue-Pu Mao; Jiang-Ke Qin; Wei Qiao; Lin Ma; Lian-Quan Gu","(2<i>E</i>,6<i>E</i>)-2,6-Bis(3,5-di-<i>tert</i>-butyl-4-hydroxybenzylidene)cyclohexanone acetic acid solvate","Acta Crystallographica Section E","2005","61","3","o587","o588","10.1107/S1600536804034208","","","0.71073","MoKα","","0.0743","0.0509","","","0.136","0.1553","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205344","5.9991","0.0015","10.052","0.003","12.161","0.003","81.391","0.004","76.933","0.004","81.214","0.004","700.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(2-Benzoyl-4-chlorophenyl)-2-chloroacetamide","","- C15 H11 Cl2 N O2 -","- C15 H11 Cl2 N O2 -","- C30 H22 Cl4 N2 O4 -","2","1","RZ6038","Malathy Sony, S. M.; Charles, P.; Ponnuswamy, M. N.; Nethaji, M.","<i>N</i>-(2-Benzoyl-4-chlorophenyl)-2-chloroacetamide","Acta Crystallographica Section E","2005","61","3","o632","o634","10.1107/S1600536805002291","","","0.71073","MoKα","","0.0884","0.0633","","","0.147","0.16","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205345","17.16","0.009","11.68","0.006","18.274","0.01","90","","90","","90","","3663","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-methyl-1-phenylsulfonyl-1H-indole","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C176 H152 N8 O16 S8 -","8","1","RZ6040","S. M. Malathy Sony; K. Palani; P. Charles; M. N. Ponnuswamy; N. Sureshbabu; P. C. Srinivasan; M. Nethaji","3-Benzyl-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2005","61","3","o521","o523","10.1107/S1600536805002825","","","0.71073","MoKα","","0.0542","0.0448","","","0.1332","0.1426","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205346","13.669","0.007","11.392","0.006","18.315","0.009","90","","92.697","0.007","90","","2849","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C112 H128 N16 O32 -","8","1","RZ6041","Ming Li; Wei-Si Guo; Li-Rong Wen; Wen-Ying Qi","Ethyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2005","61","3","o531","o533","10.1107/S1600536805002837","","","0.71073","MoKα","","0.058","0.0426","","","0.1233","0.1336","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205347","8.425","0.0017","12.577","0.003","13.945","0.003","90","","90","","90","","1477.6","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Diisothiocyanatobis(2-methyl-1H-imidazole)cobalt(II)","","- C10 H12 Co N6 S2 -","- C10 H12 Co N6 S2 -","- C40 H48 Co4 N24 S8 -","4","0.5","RZ6042","Faqian Liu; Fangfang Jian; Lude Lu; Xujie Yang; Xin Wang; Hailian Xiao","Diisothiocyanatobis(2-methyl-1<i>H</i>-imidazole)cobalt(II)","Acta Crystallographica Section E","2005","61","3","m425","m426","10.1107/S1600536805002849","","","0.71073","MoKα","","0.042","0.0356","","","0.0988","0.1027","","","","","","1.093","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205348","13.3031","0.0006","8.9874","0.0004","17.7551","0.0009","90","","106.408","0.001","90","","2036.35","0.17","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chloro[N,N'-dimethyl-N,N'-bis(2-pyridylmethyl)ethane-1,2-diamine] oxovanadium(IV) perchlorate","","- C16 H22 Cl2 N4 O5 V -","- C16 H22 Cl2 N4 O5 V -","- C64 H88 Cl8 N16 O20 V4 -","4","1","RZ6044","Egdal, Rune Kirk; Bond, Andrew D.; McKenzie, Christine J.","Chloro[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)ethane-1,2-diamine]oxovanadium(IV) perchlorate","Acta Crystallographica Section E","2005","61","3","m412","m413","10.1107/S1600536805002692","","","0.71073","MoKα","","0.0578","0.0398","","","0.0975","0.1018","","","","","","0.936","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205349","18.1505","0.001","17.3369","0.001","14.5209","0.0008","90","","95.054","0.001","90","","4551.6","0.4","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","scandenin","4-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)- 2H,8H-pyrano[2,3f]chromen-2-one","","- C26 H26 O6 -","- C26 H26 O6 -","- C208 H208 O48 -","8","2","RZ6045","K. Ravikumar; B. Sridhar; A. Sridhar Rao; J. Madhusudana Rao","Scandenin","Acta Crystallographica Section E","2005","61","3","o596","o598","10.1107/S1600536805003594","","","0.71073","MoKα","","0.0617","0.0468","","","0.1263","0.1385","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205350","16.151","0.002","11.9923","0.0014","18.094","0.002","90","","109.261","0.002","90","","3308.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-Methylbenzoyl)-N-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanethioamide","","- C18 H16 N4 O S -","- C18 H16 N4 O S -","- C144 H128 N32 O8 S8 -","8","2","RZ6046","Liang-Zhong Xu; Guo-Dong Si; Zai-Feng Li; Guan-Ping Yu; Yong-Wei Huang","2-(4-Methylbenzoyl)-<i>N</i>-phenyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanethioamide","Acta Crystallographica Section E","2005","61","3","o571","o572","10.1107/S1600536805003417","","","0.71073","MoKα","","0.1085","0.0485","","","0.1133","0.1336","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205351","15.277","0.003","11.81","0.002","8.636","0.0017","90","","121.79","0.03","90","","1324.4","0.6","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Benzyl-4-phenyl-1H-1,2,4-triazole-5(4H)-thione","","- C15 H13 N3 S -","- C15 H13 N3 S -","- C60 H52 N12 S4 -","4","1","RZ6047","Fangfang Jian; Zhengshuai Bai; Hailian Xiao; Kai Li","3-Benzyl-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","3","o557","o558","10.1107/S1600536805003223","","","0.71073","MoKα","","0.0425","0.0391","","","0.1057","0.1091","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205352","11.751","0.0014","5.51","0.0011","18.277","0.0017","90","","96.14","0.02","90","","1176.6","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquacadmium(II)]-μ-benzene-1,4-dioxyacetato-κ^4^O,O':O'',O''']","","- C10 H12 Cd O8 -","- C10 H12 Cd O8 -","- C40 H48 Cd4 O32 -","4","0.5","RZ6049","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","<i>catena</i>-Poly[[diaquacadmium(II)]-μ-benzene-1,4-dioxyacetato-κ^4^<i>O,O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2005","61","3","m451","m453","10.1107/S1600536805003211","","","0.71073","MoKα","","0.0529","0.0459","","","0.1279","0.1502","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205353","6.0641","0.0005","10.6966","0.0009","11.7335","0.001","90","","90","","90","","761.1","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Iodolevoglucosan","1,6-Anhydro-2-iodo-2-deoxy-β-D-glucopyranose","","- C6 H9 I O4 -","- C6 H9 I O4 -","- C24 H36 I4 O16 -","4","1","RZ6050","Gehle, Dietmar; Flörke, Ulrich; Krohn, Karsten","1,6-Anhydro-2-iodo-2-deoxy-β-<small>D</small>-glucopyranose (Iodolevoglucosan)","Acta Crystallographica Section E","2005","61","3","o664","o666","10.1107/S1600536805004526","","","0.71073","MoKα","","0.0216","0.0201","","","0.0487","0.0495","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205354","8.867","0.0012","9.7248","0.0013","11.227","0.0015","101.006","0.002","105.841","0.002","93.966","0.002","906.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(3-Benzyloxy-4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C44 H36 N4 O6 -","2","1","RZ6051","Shang, Zhen-Hua; Li, Wei; Wang, Song-Qing","2-(3-Benzyloxy-4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole","Acta Crystallographica Section E","2005","61","3","o704","o705","10.1107/S1600536805004861","","","0.71073","MoKα","","0.046","0.0346","","","","0.1038","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205355","8.0127","0.0009","22.524","0.003","9.733","0.001","90","","113.42","0.001","90","","1611.9","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(1,10-phenanthroline)(thiodiglycolato)cobalt(II)","","- C16 H14 Co N2 O5 S -","- C16 H14 Co N2 O5 S -","- C64 H56 Co4 N8 O20 S4 -","4","1","RZ6052","Wu, Jian-Yi; Xie, Lin-Ming; He, Hong-Yin; Zhou, Xia; Zhu, Long-Guan","Aqua(1,10-phenanthroline)(thiodiglycolato)cobalt(II)","Acta Crystallographica Section E","2005","61","3","m568","m570","10.1107/S1600536805005076","","","0.71073","MoKα","","0.051","0.0375","","","0.0852","0.0913","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205356","7.1404","0.0006","11.9642","0.0011","13.6188","0.0016","90","","90","","90","","1163.4","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2-Chloropyridin-3-yl)(4-nitrobenzylidene)amine","","- C12 H8 Cl N3 O2 -","- C12 H8 Cl N3 O2 -","- C48 H32 Cl4 N12 O8 -","4","1","RZ6053","Mehmet Akkurt; Selvi Karaca; Ali Asghar Jarrahpour; Maaroof Zarei; Orhan Büyükgüngör","(2-Chloropyridin-3-yl)(4-nitrobenzylidene)amine","Acta Crystallographica Section E","2005","61","3","o776","o778","10.1107/S1600536805005611","","","0.71073","MoKα","","0.0534","0.0395","","","0.0741","0.0789","","","","","","1.06","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205357","5.3172","0.0004","24.8494","0.0019","9.3896","0.0007","90","","102.938","0.001","90","","1209.14","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-pyridylmethyl)amine‒borane","","- C12 H16 B N3 -","- C12 H16 B N3 -","- C48 H64 B4 N12 -","4","1","SJ6040","Ballester Sanchez, Noelia; Barreira Fontecha, Julia; Wikaira, Jan; McKee, Vickie","Bis(2-pyridylmethyl)amine‒borane","Acta Crystallographica Section E","2005","61","3","o567","o568","10.1107/S1600536805001728","","","0.71073","MoKα","","0.0622","0.0431","","","0.1041","0.1163","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205358","4.8629","0.0014","18.29","0.005","18.403","0.006","90","","94.642","0.006","90","","1631.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-3-[(2,4-Dinitrophenyl)hydrazono]-4,4,4-trifluoro-1-(2-thienyl)butan-1-one","","- C14 H9 F3 N4 O5 S -","- C14 H9 F3 N4 O5 S -","- C56 H36 F12 N16 O20 S4 -","4","1","SJ6044","Zuo-Liang Jing; Ming Yu; Xin Chen; Chun-Hua Diao; Qi-Liang Deng; Zhi Fan","(<i>Z</i>)-3-[(2,4-Dinitrophenyl)hydrazono]-4,4,4-trifluoro-1-(2-thienyl)butan-1-one","Acta Crystallographica Section E","2005","61","3","o534","o535","10.1107/S1600536805002308","","","0.71073","MoKα","","0.1104","0.0488","","","0.1012","0.1209","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205359","11.2958","0.0006","12.748","0.0008","17.5607","0.0008","90","","90","","90","","2528.7","0.2","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-Phenyl-3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione","","- C13 H10 N4 S -","- C13 H10 N4 S -","- C104 H80 N32 S8 -","8","1","SJ6046","Sema Öztürk Yıldırım; Mehmet Akkurt; Ahmet Çetin; Ahmet Cansız; Memet Şekerci; Canan Kazak","4-Phenyl-3-(pyridin-4-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","3","o619","o621","10.1107/S1600536805003983","","","0.71073","MoKα","","0.056","0.031","","","0.071","0.076","","","","","","0.9","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205360","7.3872","0.0004","27.5675","0.0016","7.6687","0.0004","90","","117.344","0.001","90","","1387.21","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(biuretato-κ^2^O,O')nickel(II) dichloride","","- C4 H14 Cl2 N6 Ni O6 -","- C4 H14 Cl2 N6 Ni O6 -","- C16 H56 Cl8 N24 Ni4 O24 -","4","1","SJ6047","Lawson, Jeffrey; Harrison, William T. A.","Diaquabis(biuretato-κ^2^<i>O</i>,<i>O</i>')nickel(II) dichloride","Acta Crystallographica Section E","2005","61","3","m525","m527","10.1107/S1600536805004393","","","0.71073","MoKα","","0.0987","0.0471","","","0.0896","0.1011","","","","","","0.964","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205361","18.303","0.006","13.212","0.002","20.023","0.004","90","","109.67","0.02","90","","4559","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis[1,3-bis(diphenylphosphino)propane]nickel(0)","","- C54 H52 Ni P4 -","- C54 H52 Ni P4 -","- C216 H208 Ni4 P16 -","4","0.5","SJ6048","Davies, Sian C.; Duff, Samantha E.; Evans, David J.","Bis[1,3-bis(diphenylphosphino)propane-κ^2^<i>P</i>,<i>P</i>']nickel(0)","Acta Crystallographica Section E","2005","61","3","m571","m573","10.1107/S1600536805005064","","","0.71069","Mo_Kα","","0.0604","0.0357","","","0.0783","0.0924","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205362","13.861","0.003","5.834","0.001","14.903","0.003","90","","110.65","0.03","90","","1127.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-4(Chlorophenyl)-2H-benz[b][1,4]oxazine","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","SJ6049","Vencato, Ivo; Ferri, Pedro H.; Faria, Lourival C.; Santos, Suzana C.; Lariucci, Carlito","3-(4-Chlorophenyl)-2<i>H</i>-benz[<i>b</i>][1,4]oxazine","Acta Crystallographica Section E","2005","61","3","o769","o771","10.1107/S160053680500543X","","","0.71073","MoKα","","0.061","0.043","","","0.114","0.132","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205363","6.746","0.001","12.605","0.004","18.32","0.003","90","","90","","90","","1557.8","0.6","296","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","SU6164","Binita Suthar; Anthony Fowler; Daniel S. Jones; Craig A. Ogle","1-(3,4,5-Trimethoxyphenyl)naphthalene","Acta Crystallographica Section E","2005","61","3","o607","o608","10.1107/S1600536805003776","","","1.54178","CuKα","","","0.0375","","","","0.0978","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205364","6.9577","0.0014","9.3611","0.0019","10.724","0.002","70.64","0.03","83.96","0.03","82.27","0.03","651.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,3,5-Trichloro-6-(4-methylpiperidin-1-yl)-1,4-benzoquinone","","- C12 H12 Cl3 N O2 -","- C12 H12 Cl3 N O2 -","- C24 H24 Cl6 N2 O4 -","2","1","SU6166","Bowes, Katharine F.; Cole, Jacqueline M.; Szablewski, Marek","2,3,5-Trichloro-6-(4-methylpiperidin-1-yl)-1,4-benzoquinone: a synchrotron study","Acta Crystallographica Section E","2005","61","3","o696","o698","10.1107/S1600536805004010","","","0.6928","synchrotron","","0.034","0.0327","","","0.091","0.0923","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205365","5.0708","0.0003","9.6094","0.0006","11.9258","0.0008","66.348","0.001","86.081","0.001","80.935","0.002","525.64","0.06","296","1","296","1","","","","","","","","3","P -1","-P 1","2","1,4,11,12-Tetrahydro-9,10-anthraquinone","1,4,11,12-Tetrahydro-9,10-anthraquinone","","- C14 H12 O2 -","- C14 H12 O2 -","- C28 H24 O4 -","2","1","SU6167","Andreas Decken; S. M. Mattar; A. Emwas","1,4,11,12-Tetrahydro-9,10-anthraquinone","Acta Crystallographica Section E","2005","61","3","o641","o642","10.1107/S1600536805004198","","","0.71073","MoKα","","0.0653","0.0478","","","0.1322","0.1384","","","","","","0.984","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205366","13.196","0.002","19.853","0.003","11.985","0.0019","90","","107.47","0.003","90","","2995","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,7-Bis(4-methoxyphenyl)-1,3,7,triphenyl-2,3,5,6,7,7a-hexahydro-1H- pyrrolo[2,3-d]pyrimidine-2,5,6-trione","","- C38 H29 N3 O5 -","- C38 H29 N3 O5 -","- C152 H116 N12 O20 -","4","1","SU6168","Adams, Harry; Mustafa Saçmaci; Şevket Hakan Üngören; Yunus Akçamur","4,7-Bis(4-methoxyphenyl)-1,3,7-triphenyl-2,3,5,6,7,7a-hexahydro-1<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine-2,5,6-trione","Acta Crystallographica Section E","2005","61","3","o635","o636","10.1107/S1600536805003995","","","0.71073","MoKα","","0.1324","0.0577","","","0.1138","0.1391","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205367","8.5925","0.001","10.6129","0.0013","7.7558","0.0009","90","","114.315","0.002","90","","644.52","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1,2,2-Tetrachloro-1,2-diphenylethane","","- C14 H10 Cl4 -","- C14 H10 Cl4 -","- C28 H20 Cl8 -","2","0.5","SU6170","Adriana Garcia-Sanchez; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","1,1,2,2-Tetrachloro-1,2-diphenylethane","Acta Crystallographica Section E","2005","61","3","o678","o680","10.1107/S1600536805004472","","","0.71073","MoKα","","0.0258","0.0256","","","0.0664","0.0666","","","","","","1.118","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205368","5.4596","0.0001","15.9758","0.0003","17.5111","0.0003","90","","90","","90","","1527.34","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-O-Cyanomethyl-1,2:3,4-di-O-isopropylidene-α-D-galactopyranose","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C56 H84 N4 O24 -","4","1","SU6172","Vratislav Langer; Bohumil Steiner; Ju̇lia Mic̆ová; Miroslav Koós̆","6-<i>O</i>-Cyanomethyl-1,2:3,4-di-<i>O</i>-isopropylidene-α-<small>D</small>-galactopyranose","Acta Crystallographica Section E","2005","61","3","o779","o781","10.1107/S1600536805005544","","","0.71073","MoKα","","0.0566","0.0379","","","0.0833","0.0922","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205369","7.6036","0.0005","8.854","0.0005","8.924","0.0005","70.985","0.001","82.297","0.001","86.86","0.001","562.84","0.06","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Dichlorobis(phenothiazine-κS)palladium(II)","","- C24 H18 Cl2 N2 Pd S2 -","- C24 H18 Cl2 N2 Pd S2 -","- C24 H18 Cl2 N2 Pd S2 -","1","0.5","SU6173","Zhang, Xuanjun; Li, Dan; Zhou, Xiao-Ping; Ng, Seik Weng","Dichlorobis(phenothiazine-κ<i>S</i>)palladium(II)","Acta Crystallographica Section E","2005","61","3","m603","m605","10.1107/S1600536805005799","","","0.71073","MoKα","","0.025","0.024","","","0.064","0.065","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205370","7.333","0.003","13.737","0.003","15.381","0.006","113.04","0.02","94.93","0.04","105.23","0.03","1344.3","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","DL-phenylalanine DL-phenylalaninium picrate","DL-Phenylalanine DL-phenylalaninium picrate","","- C24 H25 N5 O11 -","- C24 H25 N5 O11 -","- C48 H50 N10 O22 -","2","1","TK6206","K. Anitha; R. K. Rajaram","<small>DL</small>-Phenylalanine <small>DL</small>-phenylalaninium picrate","Acta Crystallographica Section E","2005","61","3","o589","o591","10.1107/S1600536805003491","","","0.71073","MoKα","","0.208","0.062","","","0.139","0.188","","","","","","0.93","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205371","22.368","0.003","8.4961","0.0011","7.4726","0.001","90","","90","","90","","1420.1","0.3","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","1-Chloromethyl-4-aza-1-azoniabicyclo[2.2.2]octane tetrafluoroborate deuterochloroform solvate","","- C8 H14 B Cl4 D F4 N2 -","- C8 H14 B Cl4 D F4 N2 -","- C32 H56 B4 Cl16 D4 F16 N8 -","4","0.5","TK6209","Batsanov, Andrei S.; Trmcic, Jelena; Sandford, Graham","1-Chloromethyl-4-aza-1-azoniabicyclo[2.2.2]octane tetrafluoroborate deuterochloroform solvate","Acta Crystallographica Section E","2005","61","3","o681","o682","10.1107/S1600536805004411","","","0.71073","MoKα","","0.048","0.04","","","0.093","0.095","","","","","","1.21","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205372","7.3201","0.0008","13.9189","0.0014","15.8356","0.0016","90","","90","","90","","1613.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2,3,4-tetra-O-acetyl-1-azido-1-deoxy-β-D-glucopyranuronate","","- C13 H17 N3 O9 -","- C13 H17 N3 O9 -","- C52 H68 N12 O36 -","4","1","TK6210","Smith, Craig R.; Norris, Peter; Zeller, Matthias","Methyl 2,3,4-tri-<i>O</i>-acetyl-1-azido-1-deoxy-β-<small>D</small>-glucopyranuronate at 100K","Acta Crystallographica Section E","2005","61","3","o736","o737","10.1107/S1600536805004423","","","0.71073","MoKα","","0.031","0.031","","","0.079","0.08","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205373","9.464","0.0002","12.358","0.0002","9.775","0.0002","90","","117.767","0.0013","90","","1011.6","0.04","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(1,1,4-trimethylthiosemicarbazide)nickel(II) dinitrate","","- C8 H26 N8 Ni O8 S2 -","- C8 H26 N8 Ni O8 S2 -","- C16 H52 N16 Ni2 O16 S4 -","2","0.5","WK6043","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.","Diaquabis(1,1,4-trimethylthiosemicarbazide)nickel(II) dinitrate","Acta Crystallographica Section E","2005","61","3","m551","m553","10.1107/S1600536805002965","","","0.7107","MoKα","","0.0238","0.0222","","","0.0547","0.0557","","","","","","1.064","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2205374","7.2877","0.0002","11.9265","0.0003","8.1586","0.0002","90","","107.396","0.001","90","","676.68","0.03","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(hydroxymethyl)-3,5-dimethylpyrazole","","- C6 H10 N2 O -","- C6 H10 N2 O -","- C24 H40 N8 O4 -","4","1","WK6045","Radosavljević Evans, Ivana; Mészáros Szécsényi, Katalin; Leovac, Vukadin, M.","1-(Hydroxymethyl)-3,5-dimethylpyrazole","Acta Crystallographica Section E","2005","61","3","o625","o626","10.1107/S1600536805003971","","","0.71073","MoKα","","0.047","0.0401","","0.104","0.0999","0.0999","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205375","13.6193","0.0007","17.7307","0.0013","15.8077","0.0009","90","","108.356","0.006","90","","3623","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetrapotassium tetratantalum tetraphosphorus tetracosasulfide","","- K2 P2 S12 Ta2 -","- K2 P2 S12 Ta2 -","- K16 P16 S96 Ta16 -","8","2","WM6048","Gutzmann, Andreas; Näther, Christian; Bensch, Wolfgang","K~4~Ta~4~P~4~S~24~","Acta Crystallographica Section E","2005","61","3","i20","i22","10.1107/S1600536805001959","","","0.71073","MoKα","","0.0408","0.0266","","","0.0522","0.055","","","","","","0.968","","","","has coordinates,has Fobs","184482","2020-10-21","18:00:00",""
"2205376","6.3397","0.0003","6.3397","0.0003","3.756","0.0002","90","","90","","90","","150.96","0.013","150","2","150","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","ammonium chlorite","ammonium chlorate(III)","","- Cl H4 N O2 -","- Cl H4 N O2 -","- Cl2 H8 N2 O4 -","2","0.25","WM6052","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Ammonium chlorite, NH~4~ClO~2~, at 150K","Acta Crystallographica Section E","2005","61","3","i38","i40","10.1107/S1600536805005088","","","0.71073","MoKα","","0.0165","0.0162","","","0.0401","0.0402","","","","","","1.262","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205377","10.685","0.0016","10.685","0.0016","10.685","0.0016","90","","90","","90","","1219.9","0.3","273","2","273","2","","","","","","","","6","P -4 3 m","P -4 2 3","215","","Hexapotassium dihydrogen monotitanoundecatungstocobaltate(II) tridecahydrate","","- Co H28 K6 O53 Ti W11 -","- Co K6 O53 Ti0.99996 W10.9999 -","- Co K6 O53 Ti0.99996 W10.9999 -","1","0.0416667","WM6053","Werner Kraus; Holger Stephan; Anita Röllich; Zdenek Matĕjka; Günter Reck","K~6~H~2~[TiW~11~CoO~40~].13H~2~O, with a monotitanoundecatungstocobaltate(II) anion","Acta Crystallographica, Section E","2005","61","3","i35","i37","10.1107/S1600536805005180","","","0.71073","MoKα","","0.0668","0.0386","","","0.0899","0.097","","","","","","0.977","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205378","11.0324","0.0001","23.9623","0.0003","11.2437","0.0001","90","","102.934","0.0008","90","","2896.99","0.05","190","","190","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloro{1-[(dimethylamino)methyl-κN]-1H-indole-κC^2^}(triphenylphosphine- κP)palladium(II)","","- C30 H30 Cl3 N2 P Pd -","- C30 H30 Cl3 N2 P Pd -","- C120 H120 Cl12 N8 P4 Pd4 -","4","1","WN6315","Cooper, Richard I.; Cowley, Andrew R.; Capito, Elena; Brown, John M.; Ricci, Alfredo","Chloro{1-[(dimethylamino)methyl-κ<i>N</i>]-1<i>H</i>-indolyl-κ<i>C</i>^2^}(triphenylphosphine-κ<i>P</i>)palladium(II) dichloromethane solvate","Acta Crystallographica Section E","2005","61","3","m585","m586","10.1107/S1600536804033227","","","0.71073","MoKα","","0.0308","0.0249","","0.0587","0.0571","0.0587","","","","","","0.9977","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205379","10.3125","0.0002","10.9019","0.0002","16.4409","0.0005","71.7446","0.0009","75.0748","0.0009","62.033","0.001","1536.81","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","Acetato[1-(oxazolin-2-ylmethyl-κN)indol-2-yl](triphenylphosphine)palladium(II) dichloromethane solvate","","- C33 H31 Cl2 N2 O3 P Pd -","- C33 H31 Cl2 N2 O3 P Pd -","- C66 H62 Cl4 N4 O6 P2 Pd2 -","2","1","WN6316","Cowley, Andrew R.; Cooper, Richard I.; Capito, Elena; Brown, John M; Ricci, Alfredo","Acetato[1-(oxazolin-2-ylmethyl-κ<i>N</i>)-1<i>H</i>-indolyl-κ<i>C</i>^2^](triphenylphosphine)palladium(II) dichloromethane solvate","Acta Crystallographica Section E","2005","61","3","m582","m584","10.1107/S1600536804032891","","","0.71073","MoKα","","0.0605","0.0357","","0.0599","0.0396","0.0396","","","","","","1.1005","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205380","9.535","0.003","9.539","0.003","10.093","0.003","103.89","0.02","92.05","0.03","113.5","0.02","808.3","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2,2-Dimethyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C36 H34 N6 O4 -","2","1","WN6323","Dyakonenko, Viktoria V.; Shishkin, Oleg V.; Zbruev, Alexandr V.; Desenko, Sergey M.","2,2-Dimethyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene","Acta Crystallographica Section E","2005","61","3","o667","o668","10.1107/S1600536805004484","","","0.71073","MoKα","","0.0723","0.0666","","","0.1895","0.1984","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205381","9.908","0.001","10.442","0.001","16.603","0.002","90","","90","","90","","1717.7","0.3","100","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N S2 -","- C18 H23 N S2 -","- C72 H92 N4 S8 -","4","1","WN6325","Kırılmış, Cumhur; Koca, Murat; Arıcı, Cengiz; W. Heinemann, Frank; Ahmedzade, Misir","3-Butyl-4-(3-methyl-3-phenylcyclobut-1-yl)-1,3-thiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","3","o555","o556","10.1107/S1600536805003168","","","0.71073","MoKα","","0.0492","0.0348","","","0.0664","0.0701","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205382","4.015","0.003","15.41","0.01","25.73","0.005","90","","91.22","0.07","90","","1591.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Bromo-2,6-dichloroaniline","","- C6 H4 Br Cl2 N -","- C6 H4 Br Cl2 N -","- C48 H32 Br8 Cl16 N8 -","8","2","WN6327","M. Arun Prasad; Babu Varghese; M. V. Sangaranarayanan","4-Bromo-2,6-dichloroaniline","Acta Crystallographica Section E","2005","61","3","o758","o759","10.1107/S1600536805003521","","","0.71073","MoKα","","0.1656","0.0585","","","0.1513","0.1975","","","","","","0.995","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205383","8.589","0.003","8.686","0.003","11.375","0.004","90","","90","","90","","848.6","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Methyl-6,7-dihydropyrrolo[2,3-c]azepine-4,8(1H,5H)-dione","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","WN6329","Xiang-Chao Zeng; Shi-Hai Xu; Jian Gu; Dong-Sheng Deng","1-Methyl-6,7-dihydropyrrolo[2,3-<i>c</i>]azepine-4,8(1<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","3","o795","o796","10.1107/S1600536805005532","","","0.71073","MoKα","","0.0356","0.0316","","","0.0845","0.0883","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205384","5.6459","0.0009","13.973","0.002","16.875","0.003","88.517","0.003","85.574","0.003","81.742","0.003","1313.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","3-(3-Hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","2","WN6330","S. Sathiya Moorthi; K. Chinnakali; S. Nanjundan; P. Selvam; Hoong-Kun Fun; Xiao-Lan Yu","3-(3-Hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","3","o743","o745","10.1107/S1600536805004915","","","0.71073","MoKα","","0.0675","0.0551","","","0.1573","0.1694","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205385","8.3045","0.0007","10.5134","0.001","11.8019","0.0011","76.106","0.001","87.116","0.002","72.072","0.002","951.38","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(4-methylbenzylidene)amino]- 1H-pyrazole-3-carbonitrile","","- C19 H11 Cl2 F3 N4 -","- C19 H11 Cl2 F3 N4 -","- C38 H22 Cl4 F6 N8 -","2","1","WW6349","Zhong, Ping; Yang, Zhiping; Shi, Qian; Li, Shuyan; Tang, Riyuan","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(4-methylbenzylidene)amino]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","3","o559","o560","10.1107/S1600536805003028","","","0.71073","MoKα","","0.0809","0.0724","","","0.2045","0.2147","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205386","13.122","0.002","12.943","0.002","15.893","0.003","90","","104.517","0.003","90","","2613.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(3-tert-buyl-N,5-dimethylsalicylaldiminato)cobalt(II)","","- C26 H36 Co N2 O2 -","- C26 H36 Co N2 O2 -","- C104 H144 Co4 N8 O8 -","4","1","WW6350","Li, Xiaoyan; Huang, Liye; Dong, Shuli; Li, Mu; Sun, Hongjian","Bis(3-tert-buyl-N,5-dimethylsalicylaldiminato)cobalt(II)","Acta Crystallographica, Section E","2005","61","3","o465","o466","10.1107/S1600536805003132","","","0.71073","MoKα","","0.0822","0.0431","","","0.1137","0.142","","","","","","1.064","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205387","10.184","0.002","12.182","0.002","18.987","0.003","90","","90","","90","","2355.6","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","mer-(2-Formylatocyclohexen-1-olato-κ^2^C^2^,O^1^)iodotris(trimethylphosphine- κP)cobalt(III)","","- C16 H35 Co I O2 P3 -","- C16 H35 Co I O2 P3 -","- C64 H140 Co4 I4 O8 P12 -","4","1","WW6351","Yu, Fengli; Dong, Shuli; Zhou, Jin; Wang, Aichen; Sun, Hongjian; Li, Xiaoyan","<i>mer</i>-(2-Formylatocyclohexen-1-olato-κ^2^<i>C</i>^2^,<i>O</i>^1^)iodotris(trimethylphosphine-κ<i>P</i>)cobalt(III)","Acta Crystallographica Section E","2005","61","3","m467","m468","10.1107/S1600536805003144","","","0.71073","MoKα","","0.0892","0.0526","","","0.1336","0.1517","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205388","5.843","0.0003","12.8501","0.0008","17.5767","0.0011","90","","97.449","0.005","90","","1308.58","0.13","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2-exo,7-exo,9-endo,10-endo)-11-Oxatricyclo[6.2.1.0^2,7^]undec-4-ene-9,10-diyl diacetate","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","WW6356","Mehmet Akkurt; Sema Öztürk Yıldırım; Arif Baran; Hasan Seçen; Orhan Büyükgüngör","(2-<i>exo</i>,7-<i>exo</i>,9-<i>endo</i>,10-<i>endo</i>)-11-Oxatricyclo[6.2.1.0^2,7^]undec-4-ene-9,10-diyl diacetate","Acta Crystallographica Section E","2005","61","3","o760","o762","10.1107/S1600536805005234","","","0.71073","MoKα","","0.037","0.0317","","","0.0813","0.0839","","","","","","1.033","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205389","10.0639","0.0006","12.2445","0.0007","13.9291","0.0008","96.985","0.001","101.406","0.001","98.851","0.001","1641.9","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","cis-Diaquabis(1,10-phenanthroline)manganese(II) 3-carboxylato-4-hydroxybenzenesulfonate tetrahydrate","","- C31 H32 Mn N4 O12 S -","- C31 H32 Mn N4 O12 S -","- C62 H64 Mn2 N8 O24 S2 -","2","1","WW6357","Fan, Sai-Rong; Zhu, Long-Guan; Xiao, Hong-Ping; Ng, Seik Weng","<i>cis</i>-Diaquabis(1,10-phenanthroline)manganese(II) 3-carboxylato-4-hydroxybenzenesulfonate tetrahydrate","Acta Crystallographica Section E","2005","61","3","m563","m565","10.1107/S1600536805004927","","","0.71073","MoKα","","0.0736","0.0654","","","0.1439","0.1483","","","","","","1.2","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205390","5.469","0.002","7.786","0.003","8.463","0.003","108.604","0.005","92.357","0.006","107.546","0.005","321.9","0.2","288","2","288","2","","","","","","","","4","P -1","-P 1","2","","1,4-Dimethylpyridinium triiodide","","- C7 H10 I3 N -","- C6.64 H10 I3 N1.36 -","- C6.64 H10 I3 N1.36 -","1","0.5","WW6360","Tan, Xue-Jie; Sun, Si-Xiu; Liu, Shu-Lian; Ma, Jian-Ping; Xing, Dian-Xiang","1,4-Dimethylpyridinium triiodide","Acta Crystallographica Section E","2005","61","3","o756","o757","10.1107/S1600536805005301","","","0.71073","MoKα","","0.0634","0.0437","","","0.0947","0.105","","","","","","0.929","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2205391","11.0122","0.0007","11.0122","0.0007","18.8285","0.0014","90","","90","","120","","1977.4","0.2","295","2","295","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","2,2'-Diamino-4,4'-bi-1,3-thiazolium (2R,3R)-tartrate","","- C10 H12 N4 O6 S2 -","- C10 H12 N4 O6 S2 -","- C60 H72 N24 O36 S12 -","6","1","WW6361","Liu, Bing-Xin; Xu, Duan-Jun","2,2'-Diamino-4,4'-bi-1,3-thiazolium (2<i>R</i>,3<i>R</i>)-tartrate","Acta Crystallographica Section E","2005","61","3","o753","o755","10.1107/S1600536805005313","","","0.71073","MoKα","","0.032","0.03","","","0.075","0.076","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205392","6.738","0.003","12.028","0.003","12.063","0.003","70.02","0.03","86.88","0.03","76.45","0.03","892.9","0.5","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","Bis(adamantylamine-κN)bis(1-phenylbutane-1,3-dionato-κO,O')nickel(II)","","- C40 H52 N2 Ni O4 -","- C40 H52 N2 Ni O4 -","- C40 H52 N2 Ni O4 -","1","0.5","YA6237","Ernest Meštrović; Dejan-Krešimir Bučar","Bis(adamantylamine-κ<i>N</i>)bis(1-phenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section E","2005","61","3","m522","m524","10.1107/S1600536805004216","","","0.71073","MoKα","","0.055","0.041","","","0.095","0.103","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205393","10.801","0.0017","14.279","0.004","18.074","0.003","90","","103.23","0.013","90","","2713.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,6-Diphenyl-1,4-bis(tolyl-4-sulfonyl)-1,4-dihydro-1,2,4,5-tetrazine","","- C28 H24 N4 O4 S2 -","- C28 H24 N4 O4 S2 -","- C112 H96 N16 O16 S8 -","4","1","AC6157","Luping Lv; Weixiao Hu; Hai-Bo Shi; Guo-Wu Rao","3,6-Diphenyl-1,4-bis(<i>p</i>-tolylsulfonyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section E","2005","61","4","o1026","o1027","10.1107/S1600536805007622","","","0.71065","MoKα","","0.0881","0.0374","","","0.0979","0.1182","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205394","17.559","0.007","8.959","0.004","19.566","0.008","90","","97.591","0.009","90","","3051","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-[3-(Hydroxymethyl)phenyl]-N'-(4-methoxybenzoyl)thiourea","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C128 H128 N16 O24 S8 -","8","1","AC6161","Ngah, Nurziana; Mohd Fauzi, Noor Fazlina; Yamin, Bohari M.","<i>N</i>-[3-(Hydroxymethyl)phenyl]-<i>N</i>'-(4-methoxybenzoyl)thiourea","Acta Crystallographica Section E","2005","61","4","o1018","o1019","10.1107/S1600536805007853","","","0.71073","MoKα","","0.0616","0.0537","","","0.1233","0.1278","","","","","","1.189","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205395","8.048","0.003","10.039","0.002","7.298","0.002","90","","100.58","0.03","90","","579.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis(bromoacetoxy)butane","butane-1,4-diyl bis(bromoacetate)","","- C8 H12 Br2 O4 -","- C8 H12 Br2 O4 -","- C16 H24 Br4 O8 -","2","0.5","AC6162","Martínez-Palau, Meritxell; Puiggalí, Jordi; Solans, Xavier; Urpí, Lourdes","Butane-1,4-diyl bis(bromoacetate)","Acta Crystallographica Section E","2005","61","4","o1028","o1031","10.1107/S1600536805007609","","","0.71073","MoKα","","0.1739","0.065","","","0.1416","0.1798","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205396","9.6263","0.0003","12.0153","0.0003","15.6375","0.0004","86.334","0.002","79.479","0.002","83.175","0.002","1764.02","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(tert-butylimido)[2-(dimethylaminomethyl)pyrrol-1-yl]tungsten(VI)-μ-oxo- bis(tert-butylimido)(η^2^-N,O-tert-butylnitroso)tungsten(VI)","","- C27 H57 N7 O2 W2 -","- C27 H57 N7 O2 W2 -","- C54 H114 N14 O4 W4 -","2","1","AC6163","Uno, Chia-Liang; Kuo, Pei-Cheng; Lee, Hon Man; Huang, Jui-Hsien","Bis(<i>tert</i>-butylimido)[2-(dimethylaminomethyl)pyrrol-1-yl]tungsten(VI)-μ-oxo-bis(<i>tert</i>-butylimido)(η^2^-<i>N,O</i>-<i>tert</i>-butylnitroso)tungsten(VI)","Acta Crystallographica Section E","2005","61","4","m697","m698","10.1107/S1600536805007610","","","0.71073","MoKα","","0.0353","0.0262","","","0.0602","0.063","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205397","8.693","0.0002","8.8976","0.0002","13.1057","0.0003","73.852","0.001","86.15","0.001","83.062","0.001","965.96","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","erythro-2-(2,6-Dimethoxy-4-methylphenoxy)-1-(4-hydroxy-3,5- dimethoxyphenyl)propane-1,3-diol","","- C20 H26 O8 -","- C20 H26 O8 -","- C40 H52 O16 -","2","1","AC6164","Langer, Vratislav; Lundquist, Knut; Miksche, Gerhard E.","<i>erythro</i>-2-(2,6-Dimethoxy-4-methylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol","Acta Crystallographica Section E","2005","61","4","o1001","o1003","10.1107/S1600536805007865","","","0.71073","MoKα","","0.0877","0.0493","","","0.1043","0.1205","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205398","18.515","0.003","9.927","0.002","20.948","0.003","90","","94.659","0.003","90","","3837.5","1.1","295","2","295","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Poly[[[(1,10-phenanthroline)manganese(II)]-μ~3~-2-nitrobenzene-1,4- dicarboxylato] monohydrate]","","- C20 H13 Mn N3 O7 -","- C20 H13 Mn N3 O7 -","- C160 H104 Mn8 N24 O56 -","8","1","AC6166","Zhu, Long-Guan; Xiao, Hong-Ping","Poly[[[(1,10-phenanthroline)manganese(II)]-μ~3~-2-nitrobenzene-1,4-dicarboxylato] monohydrate]","Acta Crystallographica Section E","2005","61","4","m769","m771","10.1107/S1600536805009086","","","0.71073","MoKα","","0.1044","0.0628","","","0.1149","0.1421","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205399","9.4853","0.0003","10.2904","0.0002","12.2872","0.0004","90","","90","","90","","1199.32","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6,8a-Trimethyl-3a,6,7,8a-tetrahydrobenzo[b]furo[3,2-d]furan-2,4(3H,5H)-dione","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","AT6000","Basavegowda Nagaraj; Hemmige S. Yathirajan; Padmarajaiah Nagaraja; Daniel E. Lynch","6,6,8a-Trimethyl-3a,6,7,8a-tetrahydrobenzo[<i>b</i>]furo[3,2-<i>d</i>]furan-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","4","o1041","o1042","10.1107/S1600536805008093","","","0.71073","MoKα","","0.0288","0.0267","","","0.0659","0.0676","","","","","","1.04","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205400","9.9686","0.0008","12.2843","0.0008","14.7707","0.0003","90","","90","","90","","1808.78","0.19","100","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Cyclohexyl-4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazole-2(3H)-thione","","- C20 H25 N S2 -","- C20 H25 N S2 -","- C80 H100 N4 S8 -","4","1","AT6001","Kırılmış, Cumhur; Koca, Murat; Arıcı, Cengiz; W. Heinemann, Frank","3-Cyclohexyl-4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","4","o1176","o1177","10.1107/S160053680500930X","","","0.71073","MoKα","","0.0399","0.0314","","","0.067","0.0702","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205401","11.536","0.002","6.427","0.001","13.898","0.003","90","","105.95","0.03","90","","990.8","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","potassium selenate tellurate","","- H6 K2 O10 Se Te -","- H6 K2 O10 Se Te -","- H24 K8 O40 Se4 Te4 -","4","0.5","BR6184","Dammak, Mohamed; Cousson, Alain; Nierlich, Martine","Dipotassium selenate tellurate","Acta Crystallographica Section E","2005","61","4","i55","i57","10.1107/S1600536805008329","","","0.71073","MoKα","","","0.0185","","","","0.0208","","","","","","1.0363","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205402","16.0504","0.001","16.4302","0.001","26.5331","0.0016","90","","90","","90","","6997.1","0.7","130","2","130","2","","","","","","","","5","I b c a","-I 2b 2c","73","dichlorobis[4-(dimethylamino)phenyl]tellurium","dichlorobis[4-(dimethylamino)phenyl]tellurium","","- C16 H20 Cl2 N2 Te -","- C16 H20 Cl2 N2 Te -","- C256 H320 Cl32 N32 Te16 -","16","1","BR6185","Beckmann, Jens; Dakternieks, Dainis; Duthie, Andrew; Mitchell, Cassandra","An orthorhombic polymorph of dichlorobis[4-(dimethylamino)phenyl]tellurium","Acta Crystallographica Section E","2005","61","4","o986","o987","10.1107/S1600536805007336","","","0.71073","MoKα","","0.024","0.0216","","","0.0554","0.0568","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205403","22.172","0.004","10.5547","0.0016","7.7884","0.0012","90","","106.909","0.005","90","","1743.8","0.5","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cis-Diaquabis(4-formyl-2-methoxyphenolato)zinc(II)","","- C16 H18 O8 Zn -","- C16 H18 O8 Zn -","- C64 H72 O32 Zn4 -","4","0.5","BR6187","Lin, Zhi-Dong; Lu, Jin-Yu","<i>cis</i>-Diaquabis(4-formyl-2-methoxyphenolato)zinc(II)","Acta Crystallographica Section E","2005","61","4","m743","m745","10.1107/S1600536805008561","","","0.71073","MoKα","","0.048","0.0434","","","0.1226","0.1257","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205404","12.11","0.002","8.1753","0.0015","12.566","0.002","90","","111.963","0.017","90","","1153.8","0.4","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","caesium chloride 2-(N-morpholinio)ethanesulfonate","","- C6 H13 Cl Cs N O4 S -","- C6 H13 Cl Cs N O4 S -","- C24 H52 Cl4 Cs4 N4 O16 S4 -","4","1","BR6188","Milić, Dalibor; Renić, Marija; Matković-C̆alogović, Dubravka","Caesium chloride 2-(<i>N</i>-morpholinio)ethanesulfonate","Acta Crystallographica Section E","2005","61","4","m757","m758","10.1107/S1600536805009037","","","0.71073","MoKα","","0.064","0.0464","","","0.111","0.1196","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205405","7.6817","0.0004","10.6398","0.0006","13.4992","0.0008","108.529","0.004","92.712","0.004","97.109","0.004","1033.67","0.1","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","2-[Bis(4-methoxyphenyl)methyl]benzyl chloroacetate","","- C24 H23 Cl O4 -","- C24 H23 Cl O4 -","- C48 H46 Cl2 O8 -","2","1","BT6609","Jones, Peter G.; Kuś, Piotr; Łapok, Łukasz","2-[Bis(4-methoxyphenyl)methyl]benzyl chloroacetate","Acta Crystallographica Section E","2005","61","4","o827","o828","10.1107/S1600536805005374","","","0.71073","MoKα","","0.0557","0.0412","","","0.1056","0.1155","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205406","25.824","0.009","18.944","0.008","4.001","0.001","90","","90","","90","","1957.3","1.2","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","9-Methylene-10,10-bis(phenylethynyl)fluorene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","BT6610","Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Berger, Harald","9-Methylene-10,10-bis(phenylethynyl)fluorene","Acta Crystallographica Section E","2005","61","4","o829","o830","10.1107/S1600536805005623","","","0.71073","MoKα","","0.0965","0.0445","","","0.0963","0.1265","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205407","9.8155","0.0006","11.723","0.0009","14.0699","0.0012","85.964","0.006","76.178","0.006","80.879","0.006","1551.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Nonaaquaneodymium(III) trichloride bis(1,3,5,7-tetraazatricyclo[3.3.1.1^3,7^]decane tetrahydrate","","- C12 H50 Cl3 N8 Nd O13 -","- C12 H48 Cl3 N8 Nd O13 -","- C24 H96 Cl6 N16 Nd2 O26 -","2","1","BT6611","Trzesowska, Agata; Kruszynski, Rafal; Bartczak, Tadeusz Jan; Zalewicz, Malgorzata","Nonaaquaneodymium(III) trichloride bis(1,3,5,7-tetraazatricyclo[3.3.1.1^3,7^]decane tetrahydrate","Acta Crystallographica Section E","2005","61","4","m625","m628","10.1107/S160053680500615X","","","0.71073","MoKα","","0.0271","0.0254","","","0.0681","0.0692","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205408","10.3572","0.0005","11.6812","0.0005","15.5784","0.0007","90","","90","","90","","1884.75","0.15","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 6α-hydroxy-3,13-clerodadien-15,16-olid-18-oate","","- C21 H30 O5 -","- C21 H30 O5 -","- C84 H120 O20 -","4","1","BT6612","K. Ravikumar; B. Sridhar; Biswanath Das; K. Venkateswarlu","A clerodane diterpenoid from <i>Pulicaria wightiana</i>","Acta Crystallographica Section E","2005","61","4","o854","o856","10.1107/S1600536805005994","","","0.71073","MoKα","","0.0457","0.0433","","","0.1171","0.1204","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205409","10.9984","0.0008","6.3486","0.0004","13.2439","0.0012","90","","99.768","0.004","90","","911.34","0.12","133","2","133","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","(3-Iodo-1-pyridinio)acetate‒iodide‒1-carboxymethyl-3-iodo-1-pyridinium‒ (1:1:1)","","- C14 H13 I3 N2 O4 -","- C14 H13 I3 N2 O4 -","- C28 H26 I6 N4 O8 -","2","0.5","BT6613","Jones, Peter G.; Cots, Berta; Zerbe, Eva-Maria","1-Carboxymethyl-3-iodo-1-pyridinium‒iodide‒(3-iodo-1-pyridinio)acetate (1/1/1)","Acta Crystallographica Section E","2005","61","4","o895","o897","10.1107/S1600536805006045","","","0.71073","MoKα","","0.0451","0.0285","","","0.0492","0.0524","","","","","","0.945","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205410","5.289","0.002","8.678","0.002","13.178","0.005","90","","96.748","0.012","90","","600.7","0.4","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,6R)-3-benzyloxymethyl-6-methyl-1,4-dioxane-2,5-dione","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","BT6614","Kooijman, Huub; Leemhuis, Mark; Nostrum, Cornelus F. van; Hennink, Wim E.; Spek, Anthony L.","(3<i>S</i>,6<i>R</i>)-3-Benzyloxymethyl-6-methyl-1,4-dioxane-2,5-dione","Acta Crystallographica Section E","2005","61","4","o898","o900","10.1107/S1600536805006902","","","0.71073","MoKα","","0.0378","0.0309","","","0.0732","0.076","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205411","8.944","0.002","5.94","0.001","12.559","0.003","90","","107.905","0.012","90","","634.9","0.2","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,6S)-3-benzyloxymethyl-6-methyl-1,4-dioxane-2,5-dione","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","BT6615","Kooijman, Huub; Leemhuis, Mark; Nostrum, Cornelus F. van; Hennink, Wim E.; Spek, Anthony L.","(3<i>S</i>,6<i>S</i>)-3-Benzyloxymethyl-6-methyl-1,4-dioxane-2,5-dione","Acta Crystallographica Section E","2005","61","4","o901","o903","10.1107/S1600536805006914","","","0.71073","MoKα","","0.0431","0.0355","","","0.0903","0.0948","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205412","6.4024","0.0004","31.441","0.002","7.366","0.0005","90","","98.33","0.001","90","","1467.12","0.16","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Methoxysalicylaldehyde 3-methoxybenzoylhydrazone","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","BT6616","Ali, Hapipah M.; Puvaneswary, Subramaniam; Basirun, Wan Jefri; Ng, Seik Weng","5-Methoxysalicylaldehyde 3-methoxybenzoylhydrazone","Acta Crystallographica Section E","2005","61","4","o947","o948","10.1107/S1600536805007154","","","0.71073","MoKα","","0.062","0.041","","","0.11","0.124","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205413","8.938","0.002","10.52","0.003","12.548","0.003","67.726","0.018","89.769","0.018","77.689","0.018","1062.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Hydroxy-6-[(2-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C52 H44 N4 O12 -","4","2","BT6617","Koşar, Başak; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","2-Hydroxy-6-[(2-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","Acta Crystallographica Section E","2005","61","4","o1097","o1099","10.1107/S160053680500807X","","","0.71073","MoKα","","0.2375","0.0976","","","0.2215","0.2955","","","","","","0.892","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205414","9.589","0.005","9.617","0.005","21.952","0.012","80.81","0.03","80.64","0.04","62.5","0.04","1763.4","1.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","9-Methylene-10,10-bis(phenylethynyl)fluorene‒tetracyano-para-quinodimethane (2/3)","","- C96 H48 N12 -","- C96 H48 N12 -","- C96 H48 N12 -","1","0.5","BT6618","Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Berger, Harald","9-Methylene-10,10-bis(phenylethynyl)fluorene‒tetracyano-<i>para</i>-quinodimethane (2/3)","Acta Crystallographica Section E","2005","61","4","o957","o959","10.1107/S1600536805007142","","","0.71073","MoKα","","0.1621","0.0483","","","0.1042","0.1567","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205415","10.8604","0.0005","6.6081","0.0003","16.6771","0.0008","90","","108.553","0.001","90","","1134.66","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexobarbitone","5-(1-Cyclohex-en-1-yl)-1,5-dimethylbarbituric acid","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C48 H64 N8 O12 -","4","1","BT6620","Nichol, Gary S.; Clegg, William","5-(1-Cyclohexen-1-yl)-1,5-dimethylbarbituric acid (hexobarbitone): a low-temperature redetermination","Acta Crystallographica Section E","2005","61","4","o1004","o1006","10.1107/S1600536805007531","","","0.71073","MoKα","","0.0402","0.0355","","","0.0946","0.099","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205416","8.574","0.002","11.467","0.002","18.374","0.003","90","","101.88","0.03","90","","1767.8","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[diaqua(imidazole)cadmium(II)]-μ-3-carboxylatophenoxyacetato] trihydrate]","","- C12 H20 Cd N2 O10 -","- C12 H20 Cd N2 O10 -","- C48 H80 Cd4 N8 O40 -","4","1","BT6621","Gao, Shan; Huo, Li-Hua; Deng, Zhao-Peng; Ng, Seik Weng","<i>catena</i>-Poly[[[diaqua(imidazole)cadmium(II)]-μ-3-carboxylatophenoxyacetato] trihydrate]","Acta Crystallographica Section E","2005","61","4","m685","m687","10.1107/S1600536805007518","","","0.71073","MoKα","","0.029","0.024","","","0.062","0.063","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205417","11.3457","0.0007","10.0117","0.0007","14.82","0.001","90","","91.372","0.001","90","","1682.92","0.19","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[cobalt(II)-di-μ~3~-formato] dimethylformamide 0.33-solvate","","- C3 H4.33 Co N0.33 O4.33 -","- C3 H4.33333 Co N0.333333 O4.33333 -","- C36 H52 Co12 N4 O52 -","12","3","BT6622","Fu, Yun-Long; Ji, Min; Shen, Xiu-Li; Ng, Seik Weng","Polymeric cobalt(II) diformate dimethylformamide 0.33-solvate","Acta Crystallographica Section E","2005","61","4","m688","m690","10.1107/S1600536805007786","","","0.71073","MoKα","","0.042","0.033","","","0.075","0.079","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205418","8.0912","0.0006","9.6445","0.0007","11.3013","0.0008","105.477","0.001","106.119","0.001","99.227","0.001","789.9","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(3-bromo-1-oxidoanthraquinone-κO^1^,O^9^)bis(pyridine-κN)zinc(II)","","- C38 H22 Br2 N2 O6 Zn -","- C38 H22 Br2 N2 O6 Zn -","- C38 H22 Br2 N2 O6 Zn -","1","0.5","BT6623","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Koushik, Saha; Hj. Lajis, Nordin; Basirun, Wan Jefri; Ng, Seik Weng","Bis(3-bromo-1-oxidoanthraquinone-κ^2^<i>O</i>^1^,<i>O</i>^9^)bis(pyridine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2005","61","4","m691","m692","10.1107/S1600536805007592","","","0.71073","MoKα","","0.061","0.044","","","0.118","0.131","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205419","10.603","0.0006","9.778","0.0006","25.203","0.002","90","","90","","90","","2612.9","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxysalicylaldehyde benzoylhydrazone","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","BT6624","Ali, Hapipah M.; Puvaneswary, Subramaniam; Basirun, Wan Jefri; Ng, Seik Weng","3-Hydroxysalicylaldehyde benzoylhydrazone","Acta Crystallographica Section E","2005","61","4","o1013","o1014","10.1107/S1600536805007555","","","0.71073","MoKα","","0.0825","0.04","","","0.1021","0.1243","","","","","","0.992","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205420","7.5025","0.0005","22.508","0.0015","11.196","0.0007","90","","101.639","0.001","90","","1851.8","0.2","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop- 2-en-1-one","","- C21 H22 O4 -","- C21 H22 O4 -","- C84 H88 O16 -","4","1","BT6625","K. Ravikumar; B. Sridhar; P. Aparna; J. Madhusudana Rao","A polymorph of bavachalcone","Acta Crystallographica Section E","2005","61","4","o1020","o1022","10.1107/S1600536805007713","","","0.71073","MoKα","","0.0682","0.0527","","","0.1457","0.1584","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205421","11.2143","0.0008","9.373","0.0007","11.4149","0.0009","90","","109.12","0.001","90","","1133.65","0.15","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Hydroxysalicylaldehyde 2-furoylhydrazone","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","BT6627","Ali, Hapipah M.; Puvaneswary, Subramaniam; Basirun, Wan Jefri; Ng, Seik Weng","3-Hydroxysalicylaldehyde 2-furoylhydrazone","Acta Crystallographica Section E","2005","61","4","o1079","o1080","10.1107/S1600536805008391","","","0.71073","MoKα","","0.063","0.041","","","0.11","0.127","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205422","6.7936","0.0009","16.988","0.002","21.515","0.003","90","","90","","90","","2483","0.6","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(5,6-Dihydroxy-2-methyl-1-benzofuran-3-yl) phenyl ketone","","- C16 H12 O4 -","- C16 H12 O4 -","- C128 H96 O32 -","8","1","BT6628","Pei, Li-Xi; Bu, Xian-Zhang; Gu, Lian-Quan; Ng, Seik Weng","(5,6-Dihydroxy-2-methyl-1-benzofuran-3-yl) phenyl ketone","Acta Crystallographica Section E","2005","61","4","o1081","o1082","10.1107/S1600536805008408","","","0.71073","MoKα","","0.049","0.037","","","0.103","0.114","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205423","8.265","0.001","10.51","0.001","10.841","0.001","113.855","0.002","98.767","0.002","98.39","0.002","828.45","0.15","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","N-(2-Fluorobenzylidene)-2,6-diisopropylbenzenamine","","- C19 H22 F N -","- C19 H22 F N -","- C38 H44 F2 N2 -","2","1","BT6629","Gao, Hai-Yang; Lü, Xing-Qiang; Bao, Feng; Wu, Qing; Ng, Seik Weng","<i>N</i>-(2-Fluorobenzylidene)-2,6-diisopropylaniline","Acta Crystallographica Section E","2005","61","4","o1068","o1069","10.1107/S1600536805008263","","","0.71073","MoKα","","0.078","0.055","","","0.172","0.195","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205424","9.815","0.001","23.404","0.003","18.777","0.002","90","","92.002","0.002","90","","4310.6","0.8","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(2,6-Diisopropylphenylamino)cyclohex-1-enyl phenyl ketone","","- C25 H31 N O -","- C25 H31 N O -","- C200 H248 N8 O8 -","8","2","BT6630","Gui, Guo-Qiu; Bao, Feng; Lü, Xing-Qiang; Wu, Qing; Ng, Seik Weng","2-(2,6-Diisopropylphenylamino)cyclohex-1-enyl phenyl ketone","Acta Crystallographica Section E","2005","61","4","o1070","o1071","10.1107/S1600536805008135","","","0.71073","MoKα","","0.051","0.043","","","0.122","0.13","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205425","12.852","0.003","12.924","0.003","7.236","0.002","90","","91.49","0.02","90","","1201.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Phenylpyridinium betaine of squaric acid","4-phenylpyridinium-3-squarate","","- C15 H9 N O3 -","- C15 H9 N O3 -","- C60 H36 N4 O12 -","4","1","BT6631","Kolev, Tonsko; Wortmann, Rüdiger; Spiteller, Michael; Sheldrick, William Steven; Mayer-Figge, Heike","4-Phenylpyridinium betaine of squaric acid","Acta Crystallographica Section E","2005","61","4","o1090","o1092","10.1107/S1600536805008457","","","0.71073","MoKα","","0.0686","0.0427","","","0.1013","0.1117","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205426","7.994","0.001","11.99","0.002","24.787","0.004","90","","90","","90","","2375.8","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Hydroxysalicylaldehyde 2-thienoylhydrazone","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C96 H80 N16 O24 S8 -","8","2","BT6632","Ali, Hapipah M.; Puvaneswary, Subramaniam; Basirun, Wan Jefri; Ng, Seik Weng","3-Hydroxysalicylaldehyde 2-thienoylhydrazone","Acta Crystallographica Section E","2005","61","4","o1083","o1084","10.1107/S160053680500841X","","","0.71073","MoKα","","0.082","0.045","","","0.104","0.121","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205427","16.9182","0.0007","29.388","0.001","10.6777","0.0004","90","","107.174","0.001","90","","5072.2","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tridecaaquadinitratohexasodium(I) bis[(trans-cyclohexane-1,2-diyldinitrilotetraacetato)nickellate(II)]","","- C14 H31 N3 Na3 Ni O17.5 -","- C14 H31 N3 Na3 Ni O17.5 -","- C112 H248 N24 Na24 Ni8 O140 -","8","1","BT6635","Long, Yu-Xiang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","Tridecaaquadinitratohexasodium(I) bis[(<i>trans</i>-cyclohexane-1,2-diyldinitrilotetraacetato)nickelate(II)]","Acta Crystallographica Section E","2005","61","4","m790","m792","10.1107/S1600536805009359","","","0.71073","MoKα","","0.0712","0.0644","","","0.1773","0.1818","","","","","","1.095","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"2205428","24.1025","0.0004","11.0675","0.0005","19.0716","0.0002","90","","90","","90","","5087.4","0.3","295","1","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C240 H256 N16 O32 -","8","1","BV6011","Shan-Zhong Jian; Jian-Ming Gu; Yan-Guang Wang","3-[(2<i>R</i>*,3<i>S</i>*)-3-(2-Methoxyanilino)-2-methyl-3-phenylpropionyl]spiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","4","o990","o991","10.1107/S1600536805007361","","","0.7107","MoKα","","","0.031","","","","0.063","","","","","","1.028","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205429","9.833","0.003","25.403","0.004","5.1578","0.0019","90","","90","","90","","1288.4","0.6","298","2","298","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","di-n-butyldicinnamatotin(IV)","","- C26 H32 O4 Sn -","- C26 H32 O4 Sn -","- C52 H64 O8 Sn2 -","2","0.5","BV6014","Min Hong; Handong Yin; Daqi Wang","Di-<i>n</i>-butyldicinnamatotin(IV)","Acta Crystallographica Section E","2005","61","4","m746","m747","10.1107/S160053680500735X","","","0.71073","MoKα","","0.0703","0.0442","","","0.117","0.1375","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205430","19.6113","0.0019","6.8168","0.0007","14.2923","0.0014","90","","113.551","0.002","90","","1751.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cu(H~2~biim)~2~(H~2~O)](NO~3~)~2~","Aquabis(2,2'-biimidazole)copper(II) dinitrate","","- C12 H14 Cu N10 O7 -","- C12 H14 Cu N10 O7 -","- C48 H56 Cu4 N40 O28 -","4","0.5","BV6015","Sang, Ruili; Xu, Li","Aquabis(2,2'-biimidazole)copper(II) dinitrate","Acta Crystallographica Section E","2005","61","4","m793","m795","10.1107/S1600536805008378","","","0.71073","MoKα","","0.0465","0.0391","","","0.1212","0.1361","","","","","","1.006","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205431","9.5153","0.0003","9.5153","0.0003","6.8933","0.0002","90","","90","","90","","624.13","0.03","185","","185","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- C5 H10 O2 -","- C5 H10 O2 -","- C20 H40 O8 -","4","0.25","CF6408","Howard A. Shallard-Brown; David J. Watkin; Andrew R. Cowley","Ethyl propionate at 185K","Acta Crystallographica Section E","2005","61","4","o1118","o1120","10.1107/S1600536805005271","","","0.71073","MoKα","","0.0618","0.0618","","0.0996","0.0996","0.0996","","","","","","0.9034","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205432","15.4548","0.0004","9.0111","0.0002","16.4767","0.0005","90","","102.787","0.001","90","","2237.72","0.1","190","","190","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H56 N4 O7 Si2 -","- C45 H56 N4 O7 Si2 -","- C90 H112 N8 O14 Si4 -","2","1","CF6411","Humphreys, Steven; Watkin, David J.; Sanjayan, Gangadharar J.; Tranter, George E.; Edwards, Alison A.; Fleet, George W. J.","Isopropyl 2,5-anhydro-4-(2,5-anhydro-4-azido-3-<i>O</i>-<i>tert</i>-butyldiphenylsilyl-4-deoxy-<small>L</small>-ribonylamino)-3-<i>O</i>-<i>tert</i>-butyldiphenylsilyl-4-deoxy-<small>L</small>-ribonate","Acta Crystallographica Section E","2005","61","4","o918","o919","10.1107/S1600536805006689","","","0.71073","MoKα","","0.0848","0.0848","","0.1191","0.1191","0.1191","","","","","","0.9886","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205433","6.8912","0.0003","7.3504","0.0003","13.6824","0.0006","90","","90.822","0.002","90","","692.98","0.05","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Acetamido-N-benzyl-1,4-imino-1,2,4-trideoxy-L-ribitol","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C28 H40 N4 O6 -","2","1","CF6412","Christopher C. Harding; David J. Watkin; J. S. Shane Rountree; Terry D. Butters; Mark R. Wormald; Raymond A. Dwek; George W. J. Fleet","2-Acetamido-<i>N</i>-benzyl-1,4-imino-1,2,4-trideoxy-<small>L</small>-ribitol","Acta Crystallographica Section E","2005","61","4","o930","o932","10.1107/S1600536805006926","","","0.71073","MoKα","","0.0394","0.0336","","0.0858","0.0776","0.0858","","","","","","0.8861","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205434","7.59","0.002","12.098","0.003","22.228","0.004","90","","90","","90","","2041.1","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","21-Acetoxy-17α-4-pregnene-3,20-dione","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","1","CF6413","Raja Dey; S. Chanda; A. Pal; S. Roychowdhury","21-Acetoxy-17α-4-pregnene-3,20-dione","Acta Crystallographica Section E","2005","61","4","o980","o982","10.1107/S1600536805007415","","","1.5418","CuKα","","0.0554","0.0541","","","0.1545","0.1549","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205435","10.8823","0.0002","5.469","0.0001","15.3816","0.0002","90","","103.882","0.0011","90","","888.7","0.03","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Amino-N,N-dibenzyl-1,6-dideoxy-β-L-fructofuranose","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C40 H50 N2 O8 -","2","1","CF6414","Christopher C. Harding; David J. Watkin; David J. Hotchkiss; Joseph M.D. Cook; George W. J. Fleet","1-Amino-<i>N</i>,<i>N</i>-dibenzyl-1,6-dideoxy-β-<small>L</small>-fructofuranose","Acta Crystallographica Section E","2005","61","4","o995","o997","10.1107/S1600536805007324","","","0.71073","MoKα","","0.0424","0.0345","","0.0784","0.0744","0.0784","","","","","","0.9916","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205436","11.3352","0.0001","20.4411","0.0001","13.9594","0.0001","90","","108.303","0.001","90","","3070.81","0.04","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Bis(diphenylphosphino)ethane)dichloro(oxo)methoxorhenium(V)","","- C28 H29 Cl4 O2 P2 Re -","- C27 H27 Cl2 O2 P2 Re -","- C108 H108 Cl8 O8 P8 Re4 -","4","1","CF6416","André L. Beauchamp; Sigouin, Olivier","[1,2-Bis(diphenylphosphino)ethane]dichloro(methoxo)oxorhenium(V) dichloromethane solvate","Acta Crystallographica Section E","2005","61","4","m736","m737","10.1107/S1600536805008718","","","1.54178","CuKα","","0.052","0.0466","","","0.1198","0.122","","","","","","1.107","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205437","8.7819","0.0008","10.2641","0.0007","10.4074","0.0012","112.034","0.008","98.297","0.008","94.009","0.007","852.58","0.15","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Cl N O4 S -","- C20 H12 Cl N O4 S -","- C40 H24 Cl2 N2 O8 S2 -","2","1","CI6509","Özgen, Özen; Ceylan‒Ünlüsoy, Meltem; Bozdag̃‒Dündar, Oya; Ertan, Rahmiye; Kendi, Engin","3-(4-Chlorobenzyl)-5-(4-oxo-4<i>H</i>-chromen-3-ylmethylene)-1,3-thiazolidine-2,4-dione","Acta Crystallographica Section E","2005","61","4","o870","o872","10.1107/S1600536805006252","","","1.5418","CuKα","","","0.0482","","","","0.1254","","","","","","1.2","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205438","6.2877","0.0006","21.724","0.002","10.9742","0.0011","90","","90.39","0.002","90","","1499","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2'-(3,4-Dimethoxybenzylidene)-2-hydroxybenzohydrazide","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","CI6520","Jian-Guo Yang; Fu-You Pan","2'-(3,4-Dimethoxybenzylidene)-2-hydroxybenzohydrazide","Acta Crystallographica Section E","2005","61","4","o831","o832","10.1107/S1600536805002497","","","0.71073","MoKα","","0.0832","0.0422","","","0.081","0.0927","","","","","","0.866","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205439","21.071","0.006","10.944","0.003","25.569","0.008","90","","114.109","0.005","90","","5382","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triphenyl[(2-oxidobenzylideneamino)acetato]antimony(V) dichloromethane solvate","","- C28 H24 Cl2 N O3 Sb -","- C28 H24 Cl2 N O3 Sb -","- C224 H192 Cl16 N8 O24 Sb8 -","8","2","CI6523","Guo-Cang Wang; Yong-Na Lu; Lin Yu; Hai-Bin Song; Jin-Shan Li","Triphenyl[(2-oxidobenzylideneamino)acetato]antimony(V) dichloromethane solvate","Acta Crystallographica Section E","2005","61","4","m649","m651","10.1107/S1600536805006446","","","0.71073","MoKα","","0.0744","0.0416","","","0.0844","0.097","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205440","30.958","0.007","7.9544","0.0019","14.263","0.006","90","","95.53","0.03","90","","3496","1.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Myricetin","5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,7-dimethoxychromen-4-one","","- C19 H18 O8 -","- C19 H18 O8 -","- C152 H144 O64 -","8","1","CI6530","S. Etti; G. Shanmugam; M. N. Ponnuswamy; K. Balakrishna; Saradha Vasanth","5,3'-Dihydroxy-3,7,4',5'-tetramethoxyflavone","Acta Crystallographica Section E","2005","61","4","o846","o848","10.1107/S1600536805006161","","","0.71073","MoKα","","0.1381","0.0515","","","0.1296","0.1599","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205441","7.667","0.002","22.862","0.006","14.654","0.004","90","","104.478","0.004","90","","2487","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-Bis(2-chlorophenyl)-1,2-bis(3,4-dimethylphenyl)ethane-1,2-diol","","- C30 H28 Cl2 O2 -","- C30 H28 Cl2 O2 -","- C120 H112 Cl8 O8 -","4","0.5","CI6531","N. Sampath; S. Aravindhan; M. N. Ponnuswamy; M. Nethaji","1,2-Bis(2-chlorophenyl)-1,2-bis(3,4-dimethylphenyl)ethane-1,2-diol","Acta Crystallographica Section E","2005","61","4","o886","o888","10.1107/S1600536805006331","","","0.71073","MoKα","","0.105","0.0758","","","0.1626","0.1747","","","","","","1.169","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205442","10.5883","0.0018","11.5887","0.0018","10.014","0.0017","90","","92.904","0.003","90","","1227.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2-Methoxy-5-methylphenyl) phenyl ketone","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","CI6533","Malathy Sony, S. M.; Charles, P.; Ponnuswamy, M. N.; Nethaji, M.","2-Methoxy-5-methylphenyl phenyl ketone","Acta Crystallographica Section E","2005","61","4","o801","o803","10.1107/S1600536805005775","","","0.71073","MoKα","","0.1351","0.0726","","","0.1572","0.187","","","","","","1.027","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205443","9.1652","0.0013","14.716","0.002","23.596","0.003","90","","93.918","0.004","90","","3175.1","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline- 3-carbonitrile) monohydrate","","- C18 H20 N3 O1.5 -","- C18 H20 N3 O1.5 -","- C144 H160 N24 O12 -","8","2","CI6534","Shujiang Tu; Jinpeng Zhang; Xiaotong Zhu; Jianing Xu; Qian Wang","2-Amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile hemihydrate","Acta Crystallographica Section E","2005","61","4","o983","o985","10.1107/S1600536805007403","","","0.7107","MoKα","","0.0866","0.0684","","","0.1352","0.1433","","","","","","1.167","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205444","7.273","0.001","11.298","0.002","30.344","0.005","90","","90","","90","","2493.4","0.7","286","2","286","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17β-hydroxy-28-norolean-12-ene-3,16-dione","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","CI6536","Bai, Suping; Yang, Li","17β-Hydroxy-28-norolean-12-ene-3,16-dione","Acta Crystallographica Section E","2005","61","4","o967","o968","10.1107/S1600536805007051","","","0.71073","MoKα","","0.0804","0.0419","","","0.0796","0.0889","","","","","","0.863","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205445","10.4974","0.001","10.4974","0.001","4.0967","0.0007","90","","90","","90","","451.44","0.1","150","2","150","2","","","","","","","","3","I 4","I 4","79","metaldehyde","2,4,6,8-tetramethyl-1,3,5,7-tetroxocane","","- C8 H16 O4 -","- C8 H16 O4 -","- C16 H32 O8 -","2","0.25","CI6537","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","A low-temperature redetermination of metaldehyde","Acta Crystallographica Section E","2005","61","4","o857","o859","10.1107/S1600536805006306","","","0.71073","MoKα","","0.0289","0.0288","","","0.0732","0.0732","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205446","15.359","0.003","13.215","0.003","12.969","0.003","90","","99.051","0.003","90","","2599.5","1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6'-(4-Phenylpiperazin-1-yl)-1,3,3-trimethyl-2,3-dihydrospiro[1H- indole-2,3'-3H-naphth[2,1-b][1,4]oxazine]","","- C32 H32 N4 O -","- C32 H32 N4 O -","- C128 H128 N16 O4 -","4","1","CI6539","Hui Guo; Yong-Bin Gao; Yan-Xia Li; Jie Han; Ji-Ben Meng","1,3,3-Trimethyl-6'-(4-phenylpiperazin-1-yl)-2,3-dihydrospiro[1<i>H</i>-indole-2,3'-3<i>H</i>-naphth[2,1-<i>b</i>][1,4]oxazine]","Acta Crystallographica Section E","2005","61","4","o988","o989","10.1107/S1600536805007063","","","0.71073","MoKα","","0.0757","0.0453","","","0.1199","0.1392","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205447","8.2731","0.0018","25.493","0.006","8.1129","0.0018","90","","101.443","0.003","90","","1677","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Guieranone","(E)-1-(1,3,6,8-Tetramethoxynaphthalen-2-yl)but-2-en-1-one","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","CI6540","M. Iqbal Choudhary; Alain Meli Lannang; Shamsher Ali; Shazia Anjum; Fernande Ngounou Ngninzeko; David Lontsi; Hoong-Kun Fun","(<i>E</i>)-1-(1,3,6,8-Tetramethoxynaphthalen-2-yl)but-2-en-1-one","Acta Crystallographica Section E","2005","61","4","o1015","o1017","10.1107/S1600536805007646","","","0.71073","MoKα","","0.0461","0.042","","","0.1202","0.1257","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205448","12.0488","0.0008","12.1842","0.0008","12.139","0.0008","90","","104.2","0.01","90","","1727.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-Diazoniabicyclo[2,2,2]octane hexaaquacobalt(II) bis(sulfate)","","- C6 H26 Co N2 O14 S2 -","- C6 H26 Co N2 O14 S2 -","- C24 H104 Co4 N8 O56 S8 -","4","1","CI6541","Ya-Juan Zhao; Xin-Hua Li; Shun Wang","1,4-Diazoniabicyclo[2.2.2]octane hexaaquacobalt(II) bis(sulfate)","Acta Crystallographica Section E","2005","61","4","m671","m672","10.1107/S1600536805007166","","","0.71073","MoKα","","0.0309","0.0293","","","0.0779","0.0792","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205449","7.1123","0.0007","12.1068","0.0012","13.3174","0.0013","80.602","0.002","84.43","0.002","77.227","0.002","1101.12","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1,4-Diazoniabicyclo[2,2,2]octane diaquabis(pyrazole-3,5-dicarboxylato)zinc(II) dihydrate","","- C16 H26 N6 O12 Zn -","- C16 H26 N6 O12 Zn -","- C32 H52 N12 O24 Zn2 -","2","1","CI6543","Xin-Hua Li; Xin-Xiang Lei; Yi-Guang Tian; Shun Wang","1,4-Diazoniabicyclo[2.2.2]octane diaquabis(pyrazole-3,5-dicarboxylato)zincate(II) dihydrate","Acta Crystallographica Section E","2005","61","4","m702","m704","10.1107/S1600536805008019","","","0.71073","MoKα","","0.0357","0.0335","","","0.0817","0.0835","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205450","7.194","0.002","19.119","0.002","12.694","0.002","90","","95.846","0.002","90","","1736.9","0.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[4-Bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato- κ^3^O,N,N']methoxocobalt(III) perchlorate","","- C14 H13 Br Cl Co N2 O6 -","- C14 H13 Br Cl Co N2 O6 -","- C56 H52 Br4 Cl4 Co4 N8 O24 -","4","1","CI6545","Ma, Jun-Ying; Wu, Tong-Xing; She, Xue-Gong; Pan, Xin-Fu","[4-Bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^<i>O,N,N</i>']methoxocobalt(III) perchlorate","Acta Crystallographica Section E","2005","61","4","m695","m696","10.1107/S1600536805007737","","","0.71073","MoKα","","0.074","0.0473","","","0.1203","0.134","","","","","","1.035","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2205451","7.5304","0.0009","12.5739","0.0016","14.5935","0.0018","65.678","0.009","84.257","0.01","89.335","0.01","1252.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-({4-[3-Methyl-3-(2,4,6-trimethylphenyl)cyclobutyl]-3H-thiazol-2- ylidene}hydrazonomethyl)benzene-1,4-diol ethanol solvate","","- C26 H33 N3 O3 S -","- C26 H33 N3 O3 S -","- C52 H66 N6 O6 S2 -","2","1","CI6546","Çiğdem Yüksektepe; Mustafa Serkan Soylu; Hanife Saraçoğlu; Ibrahim Yılmaz; Alaaddin Çukurovali; Nezihe Çalıs̨kan","2-({4-[3-Methyl-3-(2,4,6-trimethylphenyl)cyclobutyl]-3<i>H</i>-thiazol-2-ylidene}hydrazonomethyl)benzene-1,4-diol ethanol solvate","Acta Crystallographica Section E","2005","61","4","o1158","o1160","10.1107/S1600536805008603","","","0.71073","MoKα","","0.079","0.0353","","","0.0682","0.0748","","","","","","0.8","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205452","13.169","0.002","4.0582","0.0006","17.651","0.003","90","","92.121","0.002","90","","942.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-bromosalicylate","","- C9 H9 Br O3 -","- C9 H9 Br O3 -","- C36 H36 Br4 O12 -","4","1","CI6549","Long-Fei Jin; Feng-Ping Xiao","Ethyl 5-bromosalicylate","Acta Crystallographica Section E","2005","61","4","o1105","o1106","10.1107/S1600536805008615","","","0.71073","MoKα","","0.0605","0.041","","","0.1053","0.1165","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205453","6.9648","0.0012","13.162","0.002","18.579","0.003","90","","91.015","0.004","90","","1702.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 5-nitrosalicylate","","- C8 H7 N O5 -","- C8 H7 N O5 -","- C64 H56 N8 O40 -","8","2","CI6550","Long-Fei Jin; Feng-Ping Xiao","Methyl 5-nitrosalicylate","Acta Crystallographica Section E","2005","61","4","o1107","o1108","10.1107/S1600536805008627","","","0.71073","MoKα","","0.1038","0.0541","","","0.1304","0.1517","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205454","4.7424","0.0007","11.3044","0.0017","18.374","0.003","90","","96.618","0.003","90","","978.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-nitrosalicylate","","- C9 H9 N O5 -","- C9 H9 N O5 -","- C36 H36 N4 O20 -","4","1","CI6551","Long-Fei Jin; Feng-Ping Xiao","Ethyl 5-nitrosalicylate","Acta Crystallographica Section E","2005","61","4","o1198","o1199","10.1107/S1600536805009293","","","0.71073","MoKα","","0.0922","0.0622","","","0.1899","0.2187","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205455","6.741","0.004","9.119","0.005","20.465","0.011","90","","90","","90","","1258","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Methyl-1-(β-D-erythro-pentofuranosyl)-1H-benzimidazol-2(3H)-one","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","1","CI6552","Qi, Ji; Hui, Guo; Hai-Bin, Song; Fei, Huang; Ji-Ben, Meng","7-Methyl-1-(β-<small>D</small>-<i>erythro</i>-pentofuranosyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","4","o1147","o1149","10.1107/S1600536805009177","","","0.71073","MoKα","","0.0379","0.0306","","","0.0782","0.0804","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205456","6.126","0.002","8.405","0.002","30.985","0.005","90","","92.275","0.003","90","","1594.1","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[2-(dimethylammonio)ethyliminiomethyl]naphthalen-2-olate perchlorate","","- C15 H19 Cl N2 O5 -","- C15 H19 Cl N2 O5 -","- C60 H76 Cl4 N8 O20 -","4","1","CI6554","Yuan, Chun-Lan","A perchlorate salt of 1-[(2-dimethylaminoethylimino)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2005","61","4","o1182","o1183","10.1107/S1600536805009499","","","0.71073","MoKα","","0.1147","0.0801","","","0.1719","0.1897","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205457","8.6247","0.0008","8.8862","0.0009","12.7604","0.0012","78.81","0.002","89.371","0.002","81.935","0.002","949.75","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","trans-Bis[4-(4-methoxylphenyl)-3,5-di-2-pyridyl-4H-1,2,4-triazole- κN^1^]dithiocyanatocobalt(II)","","- C40 H30 Co N12 O2 S2 -","- C40 H30 Co N12 O2 S2 -","- C40 H30 Co N12 O2 S2 -","1","0.5","CI6555","Zhang, Shu-Ping; Shao, Si-Chang; Liu, Zhao-Di; Zhu, Hai-Liang","<i>trans</i>-Bis[4-(4-methoxyphenyl)-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]dithiocyanatocobalt(II)","Acta Crystallographica Section E","2005","61","4","m799","m800","10.1107/S1600536805009402","","","0.71073","MoKα","","0.0658","0.0569","","","0.1548","0.1864","","","","","","1.212","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205458","11.656","0.003","9.96","0.003","18.796","0.005","90","","97.776","0.005","90","","2162","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-tert-Butyl-2-(4-ethylbenzoyl)-1-(2-mercapto-3,5-dimethylbenzoyl)hydrazine","","- C22 H28 N2 O2 S -","- C22 H28 N2 O2 S -","- C88 H112 N8 O8 S4 -","4","1","CV6453","Shang, Jian; Wang, Qing-Min; Huang, Run-Qiu; Chen, Li; Song, Hai-Bin; Mao, Chun-Hui","1-<i>tert</i>-Butyl-2-(4-ethylbenzoyl)-1-(2-mercapto-3,5-dimethylbenzoyl)hydrazine","Acta Crystallographica Section E","2005","61","4","o1043","o1045","10.1107/S1600536805008123","","","0.71073","MoKα","","0.1437","0.0595","","","0.1418","0.1759","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205459","10.3133","0.0008","22.7193","0.0018","8.5237","0.0007","90","","104.58","0.001","90","","1932.9","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(2-Chlorobenzamido)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]- 1H-pyrazole-3-carbonitrile","","- C18 H8 Cl3 F3 N4 O -","- C18 H8 Cl3 F3 N4 O -","- C72 H32 Cl12 F12 N16 O4 -","4","1","CV6454","Xiaohong,Zhang; Ping, Zhong; Zhiping, Yang; Maolin, Hu; Hongping, Xiao","5-(2-Chlorobenzamido)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","4","o806","o807","10.1107/S1600536805005763","","","0.71073","MoKα","","0.0628","0.0539","","","0.1201","0.1248","","","","","","1.112","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205460","21.077","0.006","9.971","0.003","37.485","0.012","90","","98.121","0.009","90","","7799","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[2-(Biphenyl-4-yl)-2-oxoethyl]-4-(N,N-dimethylamino)pyridinium bromide hemihydrate","","- C21 H22 Br N2 O1.5 -","- C21 H22 Br N2 O1.5 -","- C336 H352 Br16 N32 O24 -","16","2","CV6458","Sundar, T. V.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Walfort,B.; Lang, H.","1-[2-(Biphenyl-4-yl)-2-oxoethyl]-4-(<i>N,N</i>-dimethylamino)pyridinium bromide hemihydrate","Acta Crystallographica Section E","2005","61","4","o889","o891","10.1107/S1600536805006471","","","0.71073","MoKα","","0.1297","0.0555","","","0.1145","0.1399","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205461","9.7846","0.0017","16.865","0.003","6.8914","0.0012","90","","103.934","0.003","90","","1103.7","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-Methylcorydaldine","6,7-Dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","CV6461","Said, Ikram M.; Hamid, Norizan. A. A.; Latif, Jalifah; Din, Laily B.; Yamin, Bohari M.","6,7-Dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","4","o797","o798","10.1107/S1600536805005787","","","0.71073","MoKα","","0.081","0.058","","","0.133","0.145","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205462","11.734","0.0019","10.3824","0.0017","36.162","0.006","90","","95.382","0.003","90","","4386.1","1.2","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(pyrimidine-2-thiolato)bis(triphenylphosphine)ruthenium(II) chloroform solvate","","- C45 H37 Cl3 N4 P2 Ru S2 -","- C45 H37 Cl3 N4 P2 Ru S2 -","- C180 H148 Cl12 N16 P8 Ru4 S8 -","4","1","CV6463","Zhengkai Li; Jin Zhao; Lei Liang; Xiangge Zhou","Bis(pyrimidine-2-thiolato)bis(triphenylphosphine)ruthenium(II) chloroform solvate","Acta Crystallographica Section E","2005","61","4","m714","m716","10.1107/S1600536805008214","","","0.71073","MoKα","","0.0697","0.0404","","","0.0762","0.0831","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205463","6.677","0.002","10.794","0.003","22.608","0.007","90","","90","","90","","1629.4","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isocrotocaudin","ent-(8S,10R)-15,16-epoxy-19-norcleroda-4,11,13(16),14-tetraene- 18,6(R):20,12-diolactone","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","CV6464","Said, Ikram M.; Noor, Ainal F. A.; Syah, Yana M.; Latif, Jalifah; Ngah, Nurziana; Yamin, Bohari M.","<i>ent</i>-(8<i>S</i>,10<i>R</i>)-15,16-Epoxy-19-norcleroda-4,11,13(16),14-tetraene-18,6(<i>R</i>):20,12-diolactone (isocrotocaudin)","Acta Crystallographica Section E","2005","61","4","o1035","o1037","10.1107/S1600536805007725","","","0.71073","MoKα","","0.068","0.056","","","0.11","0.113","","","","","","1.18","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205464","6.0163","0.0004","29.332","0.003","9.1726","0.0008","90","0.007","90","0.007","90","0.007","1618.7","0.2","122","1","122","1","","","","","","","","4","P n a 21","P 2c -2n","33","2-(4-bromophenyl)-1-methyl-1H-phenanthro[9,10-d]imidazole","2-(4-bromophenyl)-1-methyl-1H-phenanthro[9,10-d]imidazole","","- C22 H15 Br N2 -","- C22 H15 Br N2 -","- C88 H60 Br4 N8 -","4","1","CV6465","Christian B. Nielsen; Michael Pittelkow; Henning O. Sørensen","2-(4-Bromophenyl)-1-methyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","Acta Crystallographica Section E","2005","61","4","o955","o956","10.1107/S1600536805007002","","","0.71073","MoKα","","0.0287","0.0238","","","0.054","0.0571","","","","","","1.148","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205465","8.1402","0.0016","9.3393","0.0019","11.206","0.002","107.047","0.003","103.066","0.004","106.257","0.003","736.5","0.2","289","2","289","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C32 H32 N4 O6 -","2","1","CV6466","Li, Yuling; Wang, Xiangshan; Zeng, Zhaosen; Shi, Daqing; Wei, Xianyong; Zong, Zhimin","Ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate","Acta Crystallographica Section E","2005","61","4","o1115","o1117","10.1107/S1600536805008858","","","0.71073","MoKα","","0.0616","0.0436","","","0.102","0.1104","","","","","","0.968","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205466","8.625","0.0017","9.639","0.0019","26.273","0.005","90","","91.28","0.03","90","","2183.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-dimethylamino-2-(2-{2-dimethylamino-1-[3-(3-pyridyl)-1,2,4-oxadiazol- 5-yl]vinyloxy}phenyl)acrylate","","- C23 H25 N5 O4 -","- C23 H25 N5 O4 -","- C92 H100 N20 O16 -","4","1","CV6467","Wang, Hai-Bo; Chen, Jia-Hui; Pu, Yue-Qing; Wang, Jin-Tang","Methyl 3-dimethylamino-2-(2-{2-dimethylamino-1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]vinyloxy}phenyl)acrylate","Acta Crystallographica Section E","2005","61","4","o1010","o1012","10.1107/S160053680500766X","","","0.71073","MoKα","","0.1152","0.0527","","","0.139","0.1823","","","","","","0.926","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205467","4.5421","0.0004","15.3996","0.0015","15.3471","0.0013","90","","96.605","0.007","90","","1066.35","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3-Chloropropyl)-2,3-dihydro-1H-isoindole-1,3-dione","","- C11 H10 Cl N O2 -","- C11 H10 Cl N O2 -","- C44 H40 Cl4 N4 O8 -","4","1","CV6468","Nagaraj, Basavegowda; Yathirajan, Hemmige S.; Bolte, Michael","2-(3-Chloropropyl)-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione","Acta Crystallographica Section E","2005","61","4","o928","o929","10.1107/S1600536805006550","","","0.71073","MoKα","","0.0323","0.0289","","","0.0716","0.0736","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205468","7.5953","0.0015","14.582","0.003","10.616","0.002","90","","90.61","0.016","90","","1175.7","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4'-Methylbiphenyl-2-carboxylic acid","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","CV6469","Narasegowda, Rajenahally S.; Yathirajan, Hemmige S.; Bolte, Michael","4'-Methylbiphenyl-2-carboxylic acid","Acta Crystallographica Section E","2005","61","4","o939","o940","10.1107/S1600536805006744","","","0.71073","MoKα","","0.0571","0.0318","","","0.0699","0.0771","","","","","","0.878","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205469","7.768","0.003","8.497","0.003","9.342","0.004","115.572","0.006","99.093","0.006","106.548","0.006","504.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Bromo-1H-pyrrole-2-carboxamido)propanoic acid","","- C8 H9 Br N2 O3 -","- C8 H9 Br N2 O3 -","- C16 H18 Br2 N4 O6 -","2","1","CV6470","Xiang-Chao Zen; Shi-Hai Xu; Po-Run Liu; Jian Gu","3-(4-Bromo-1<i>H</i>-pyrrole-2-carboxamido)propanoic acid","Acta Crystallographica Section E","2005","61","4","o1076","o1078","10.1107/S1600536805008299","","","0.71069","MoKα","","0.0428","0.0384","","","0.1002","0.1036","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205470","5.094","0.0009","5.2911","0.001","30.759","0.006","90","","91.067","0.003","90","","828.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,6-Bis(pyridine-4-carboxamido)hexane","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C36 H44 N8 O4 -","2","0.5","CV6474","Cai-Feng Ding; Mei Zhu; Xue-Mei Li; Shu-Sheng Zhang; Hong Xu; Ping-Kai Ouyang","1,6-Bis(pyridine-4-carboxamido)hexane","Acta Crystallographica Section E","2005","61","4","o1103","o1104","10.1107/S1600536805008688","","","0.71073","MoKα","","0.0496","0.0413","","","0.1066","0.1131","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205471","10.114","0.015","10.537","0.015","20.92","0.03","90","","95.56","0.03","90","","2219","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-[(p-phenylenedimethylene)dithio]bis(1-phenyl-1H-1,2,3,4-tetrazole)","","- C22 H18 N8 S2 -","- C22 H18 N8 S2 -","- C88 H72 N32 S8 -","4","1","CV6479","Wei Wang; Bing Zhao; Peng-Wu Zheng; Xue-Min Duan","5,5'-[(<i>p</i>-Phenylenedimethylene)dithio]bis(1-phenyl-1<i>H</i>-1,2,3,4-tetrazole)","Acta Crystallographica Section E","2005","61","4","o1163","o1164","10.1107/S1600536805009001","","","0.71073","MoKα","","0.0698","0.0398","","","0.1068","0.1288","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205472","8.8654","0.0015","21.938","0.004","6.7526","0.0012","90","","94.967","0.002","90","","1308.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4,6-Dimethylpyrimidin-2-ylsulfanyl)-3,3-dimethylbutan-2-one","","- C12 H18 N2 O S -","- C12 H18 N2 O S -","- C48 H72 N8 O4 S4 -","4","1","CV6481","Liang-Zhong Xu; Xi-Liu Ma; Hai-Bin Song; Qi Zhu; Ya-Xun Yang","1-(4,6-Dimethylpyrimidin-2-ylsulfanyl)-3,3-dimethylbutan-2-one","Acta Crystallographica Section E","2005","61","4","o1180","o1181","10.1107/S1600536805009372","","","0.71073","MoKα","","0.0762","0.0437","","","0.1047","0.1215","","","","","","1.03","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205473","11.852","0.002","12.458","0.001","6.3861","0.0006","90","","113.84","0.01","90","","862.5","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","sodium calcium magnesium iron phosphate","","- Ca0.31 Fe2 Mg Na0.38 O12 P3 -","- Ca0.312 Fe2 Mg Na0.376 O12 P3 -","- Ca1.248 Fe8 Mg4 Na1.504 O48 P12 -","4","0.5","DN6200","Zid, Mohamed Faouzi; Driss, Ahmed; Jouini, Tahar","(Na~0.38~,Ca~0.31~)MgFe~2~P~3~O~12~","Acta Crystallographica, Section E","2005","61","4","i46","i48","10.1107/S1600536805006756","","","0.71073","MoKα","","0.041","0.0309","","","0.0829","0.0881","","","","","","1.11","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205474","12.9562","0.0002","10.6502","0.0002","13.3251","0.0002","90","","114.032","0.001","90","","1679.3","0.05","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","piperazinediium hexaaquazinc(II) bis(sulfate)","Piperazinediium hexaaquazinc(II) bis(sulfate)","","- C4 H24 N2 O14 S2 Zn -","- C4 H24 N2 O14 S2 Zn -","- C16 H96 N8 O56 S8 Zn4 -","4","1","DN6201","Rekik, Walid; Naïli, Houcine; Mhiri, Tahar; Bataille, Thierry","Piperazinediium hexaaquazinc(II) bis(sulfate): a structural analogue of Tutton's salts","Acta Crystallographica Section E","2005","61","4","m629","m631","10.1107/S1600536805005982","","","0.71073","MoKα","","0.0699","0.0441","","","0.1105","0.1261","","","","","","1.035","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205475","5.369","0.002","10.456","0.004","11.357","0.005","107.554","0.005","96.246","0.005","94.581","0.006","600","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bipyridinium dipicrate","","- C22 H14 N8 O14 -","- C22 H14 N8 O14 -","- C22 H14 N8 O14 -","1","0.5","DN6203","Lu-Fang Ma; Bang-Tun Zhao; Li-Ya Wang","4,4'-Bipyridinium dipicrate","Acta Crystallographica Section E","2005","61","4","o964","o966","10.1107/S1600536805006999","","","0.71073","MoKα","","0.052","0.0346","","","0.0931","0.0985","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205476","10.263","0.002","10.737","0.002","12.623","0.003","86.48","0.03","86.2","0.03","66.81","0.03","1274.8","0.5","295","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N4 O7 V -","- C27 H19 N4 O7 V -","- C54 H38 N8 O14 V2 -","2","1","DN6204","Gao, Shan; Huo, Li-Hua; Zhang, Xian-Fa; Ng, Seik Weng","(<i>N</i>-Hydroxy-<i>N</i>-phenylbenzamidato-κ^2^<i>O</i>,<i>O</i>')oxo[salicylaldehyde (4-nitrobenzoyl)hydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)","Acta Crystallographica Section E","2005","61","4","m738","m739","10.1107/S1600536805008846","","","0.71073","MoKα","","0.0559","0.0462","","","0.1359","0.143","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205477","9.975","0.0005","14.6856","0.0007","10.1388","0.0005","90","","116.812","0.002","90","","1325.55","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-Methoxybenzylidene)-2-methylisoindolin-1-one","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","DN6206","Warzecha, Klaus-Dieter; Neudörfl, Jörg M.; Griesbeck, Axel G.","(<i>Z</i>)-3-(4-Methoxybenzylidene)-2-methylisoindolin-1-one","Acta Crystallographica Section E","2005","61","4","o1074","o1075","10.1107/S1600536805008238","","","0.71073","MoKα","","0.0694","0.0446","","","0.1069","0.1162","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205478","6.5001","0.0008","11.5624","0.0014","12.7093","0.0015","90","","92.179","0.002","90","","954.5","0.2","110","","110","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","DN6207","Kgomo, Ditebogo B.; Levendis, Demetrius C.; Gukasov, Arsen; Cousson, Alain; Schöning, Ludwig F. R.; Venter, Andrew M.","Low-temperature (110K) single-crystal neutron diffraction study of (±)-camphoric anhydride","Acta Crystallographica Section E","2005","61","4","o1141","o1143","10.1107/S1600536805008950","","neutron","0.833","neutron","","0.0844","0.059","","0.0627","0.0566","0.0566","","","","","","1.1006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205479","8.9729","0.0004","22.6232","0.0009","9.9288","0.0005","90","","106.427","0.004","90","","1933.23","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-(2-Butyl-4-chloro-5-formylimidazol-1-ylmethyl)biphenyl-2-carbonitrile","","- C22 H20 Cl N3 O -","- C22 H20 Cl N3 O -","- C88 H80 Cl4 N12 O4 -","4","1","DN6209","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Narasegowda, Rajenahally S.; Nagaraja, Padmarajaiah; Bolte, Michael","4'-(2-Butyl-4-chloro-5-formylimidazol-1-ylmethyl)biphenyl-2-carbonitrile","Acta Crystallographica Section E","2005","61","4","o1193","o1195","10.1107/S1600536805009487","","","0.71073","MoKα","","0.0463","0.0419","","","0.1086","0.1116","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205480","11.9515","0.0009","8.1082","0.0004","15.1665","0.001","90","","95.359","0.006","90","","1463.29","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(1-Benzofuran-2-yl)ethanone O-(2-chlorobenzoyl)oxime","","- C17 H12 Cl N O3 -","- C17 H12 Cl N O3 -","- C68 H48 Cl4 N4 O12 -","4","1","DN6210","Ocak Ískeleli, Nazan; Kazak, Canan; Kırılmış, Cumhur; Koca, Murat","1-(1-Benzofuran-2-yl)ethanone <i>O</i>-(2-chlorobenzoyl)oxime","Acta Crystallographica Section E","2005","61","4","o1205","o1206","10.1107/S160053680500975X","","","0.71073","MoKα","","0.0492","0.0324","","","0.0728","0.0776","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205481","11.2528","0.0002","14.3549","0.0003","20.7998","0.0005","90","","90","","90","","3359.85","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4S,5S,10S,13R,14R,17R)-4α,14α-Dimethyl-3β-tosyl-5α-cholest-8-ene- 7,11-dione","","- C36 H52 O5 S -","- C36 H52 O5 S -","- C144 H208 O20 S4 -","4","1","DN6211","Auhmani, A.; Giorgi, M.; Mazoir, N.","(3<i>S</i>,4<i>S</i>,5<i>S</i>,10<i>S</i>,13<i>R</i>,14<i>R</i>,17<i>R</i>)-4α,14α-Dimethyl-3β-tosyl-5α-cholest-8-ene-7,11-dione","Acta Crystallographica Section E","2005","61","4","o1190","o1192","10.1107/S1600536805009761","","","0.71073","MoKα","","0.0683","0.0564","","","0.142","0.1561","","","","","","1.081","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205482","3.9834","0.001","25.373","0.007","7.465","0.002","90","","101.38","0.004","90","","739.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(methylsulfanyl)nicotinic acid","2-(methylsulfanyl)nicotinic acid","","- C7 H7 N O2 S -","- C7 H7 N O2 S -","- C28 H28 N4 O8 S4 -","4","1","FL6150","Srinivas Basavoju; C. Malla Reddy; Gautam R. Desiraju","2-(Methylsulfanyl)nicotinic acid","Acta Crystallographica Section E","2005","61","4","o822","o823","10.1107/S1600536805005568","","","0.71073","MoKα","","0.0868","0.0706","","","0.1678","0.1767","","","","","","1.099","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205483","9.7553","0.0009","9.7554","0.0009","11.7319","0.0011","68.582","0.001","68.58","0.001","69.34","0.01","936.05","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","5-{[(4-Chlorophenyl)methylene]amino}-1-[2,6-dichloro-4- (trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile","","- C18 H8 Cl3 F3 N4 -","- C18 H8 Cl3 F3 N4 -","- C36 H16 Cl6 F6 N8 -","2","1","FL6153","Yang, Zhiping; Zhong, Ping; Shi, Qian; Tang, Riyuan; Li, Shuyan","5-{[(4-Chlorophenyl)methylene]amino}-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","4","o949","o950","10.1107/S1600536805007075","","","0.71073","MoKα","","0.0616","0.0503","","","0.1267","0.1346","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205484","13.2451","0.0019","21.668","0.004","12.664","0.002","90","","91.69","0.02","90","","3632.9","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-{(E)-3-[(E)-4-chlorophenylimino]-4-hydroxyphenyldiazenyl}benzoic acid hemihydrate","","- C20 H15 Cl N3 O3.5 -","- C20 H15 Cl N3 O3.5 -","- C160 H120 Cl8 N24 O28 -","8","1","GH6012","Butcher, Ray J.; Basu Baul, Tushar S.; Singh, Keisham Surjit; Smith, Frank E.","A quasi-planar polyaromatic compound containing an azo and a Schiff base linkage","Acta Crystallographica Section E","2005","61","4","o1007","o1009","10.1107/S1600536805007373","","","1.54178","CuKα","","0.1404","0.0761","","","0.1585","0.2159","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205485","5.4066","0.0007","10.3363","0.0014","17.434","0.002","90","","90","","90","","974.3","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Diacetyltartaric acid anhydride","","- C8 H8 O7 -","- C8 H8 O7 -","- C32 H32 O28 -","4","1","GH6017","Zhao-Bin Qi; Ming-Jie Zhang; Dong-Yan Yuan; Shan-Shan Ma; Xiang-Qian Wang","(2<i>R</i>,3<i>R</i>)-Diacetyltartaric acid anhydride","Acta Crystallographica Section E","2005","61","4","o1085","o1086","10.1107/S1600536805008469","","","0.71073","MoKα","","0.0454","0.0351","","","0.095","0.0996","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205486","7.2959","0.0007","9.4843","0.0009","16.0204","0.0016","90","","90","","90","","1108.56","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-amino-1-butanol (2R,3R)-tartrate","","- C8 H17 N O7 -","- C8 H17 N O7 -","- C32 H68 N4 O28 -","4","1","GH6018","Bai, Guo-Yi; Chen, Li-Gong; Li, Yang; Yan, Xi-Long; Xing, Peng; Dong, Chuan-Ming; Duan, Xue-Min; Zhang, Yue-Cheng; Ge, Feng-Yan","(<i>S</i>)-2-Ammoniobutan-1-ol (2<i>R</i>,3<i>R</i>)-tartrate","Acta Crystallographica Section E","2005","61","4","o1125","o1126","10.1107/S1600536805008767","","","0.71073","MoKα","","0.0328","0.0303","","","0.0814","0.0828","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205487","7.1361","0.0012","17.251","0.003","19.541","0.003","90","","90","","90","","2405.6","0.7","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl[η^6^-(S,S)-1-[2-methoxy-3,6-bis(trimethylsilyl)phenyl]-N,N- dimethylethylamine]chromium(0)","","- C20 H33 Cr N O4 Si2 -","- C20 H33 Cr N O4 Si2 -","- C80 H132 Cr4 N4 O16 Si8 -","4","1","HB6159","Braun, Wolfgang; Calmuschi, Beatrice; Totev, Daniel; Salzer, Albrecht","Tricarbonyl{η^6^-(<i>S,S</i>)-1-[2-methoxy-3,6-bis(trimethylsilyl)phenyl]-<i>N,N</i>-dimethylethylamine}chromium(0)","Acta Crystallographica Section E","2005","61","4","m647","m648","10.1107/S1600536805006008","","","0.71073","MoKα","","0.0419","0.0328","","","0.0693","0.0843","","","","","","0.921","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205488","14.011","0.003","13.247","0.002","12.701","0.002","90","","106.834","0.015","90","","2256.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diaquadi-μ-cyano-dicyanodimethanolbis[N,N'-o-phenylenebis(pyridine-2- carboxamidato)]diiron(III)manganese(II)","","- C42 H40 Fe2 Mn N12 O10 -","- C42 H40 Fe2 Mn N12 O10 -","- C84 H80 Fe4 Mn2 N24 O20 -","2","0.5","HB6160","Ni, Zhong-Hai; Kou, Hui-Zhong; Zhang, Li-Fang; Jiang, Yun-Bo; Cui, Ai-Li","A cyano-bridged trimeric complex [Mn(CH~3~OH)~2~(H~2~O)~2~][Fe(bpb)(CN)~2~]~2~·2H~2~O [bpb^2{-^} is 1,2-bis(pyridine-2-carboxamido)benzenate]","Acta Crystallographica Section E","2005","61","4","m796","m798","10.1107/S1600536805009530","","","0.71073","MoKα","","0.0392","0.034","","","0.1029","0.112","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205489","8.7122","0.0019","10.4","0.002","12.007","0.003","93.292","0.003","107.373","0.002","112.457","0.002","941.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetraammonium octamolybdate bis(2-methylbenzimidazole),","","- C16 H32 Mo8 N8 O26 -","- C16 H32 Mo8 N8 O26 -","- C16 H32 Mo8 N8 O26 -","1","0.5","HB6161","Feng, Si-Si; Lu, Li-Ping; Zhang, Hong-Mei; Qin, Shi-Dong; Li, Xue-Mei; Zhu, Miao-Li","A co-crystal of 2-methylbenzimidazole and ammonium octamolybdate","Acta Crystallographica Section E","2005","61","4","m659","m661","10.1107/S1600536805006677","","","0.71073","MoKα","","0.0363","0.0315","","","0.0861","0.0888","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205490","5.4094","0.0005","7.4222","0.0008","9.4238","0.0014","110.151","0.008","105.133","0.011","92.302","0.007","339.33","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetraaquabis(hydrogen maleato)cadmium(II)","","- C8 H14 Cd O12 -","- C8 H14 Cd O12 -","- C8 H14 Cd O12 -","1","0.5","HB6162","Liu, Yong","Tetraaquabis(hydrogen maleato)cadmium(II)","Acta Crystallographica Section E","2005","61","4","m669","m670","10.1107/S1600536805007208","","","0.71073","MoKα","","0.0189","0.0189","","","0.0492","0.0492","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205491","26.88","0.004","8.009","0.0011","18.294","0.003","90","","123.836","0.008","90","","3271.3","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)copper(II)","","- C22 H40 Cu N2 S10 -","- C22 H40 Cu N2 S10 -","- C88 H160 Cu4 N8 S40 -","4","1","HB6163","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Wang, Yan-Ling; Li, Ting-Bin; Zhang, Guang-Hui; Sun, Xiang-Bin; Ren, Quan","Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)cuprate(II)","Acta Crystallographica Section E","2005","61","4","m717","m719","10.1107/S1600536805008159","","","0.71073","MoKα","","0.1071","0.0506","","","0.096","0.1184","","","","","","0.953","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205492","7.686","0.003","13.498","0.005","12.808","0.004","90","","93.138","0.007","90","","1326.8","0.8","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(imidazolium) tetrachlorocobaltate(II)","","- C6 H10 Cl4 Co N4 -","- C6 H10 Cl4 Co N4 -","- C24 H40 Cl16 Co4 N16 -","4","1","HB6164","Zhang, Hui; Fang, Liang; Yuan, Runzhang","Bis(imidazolium) tetrachlorocobaltate(II)","Acta Crystallographica Section E","2005","61","4","m677","m678","10.1107/S1600536805007452","","","0.71073","MoKα","","0.0551","0.0349","","","0.0733","0.0789","","","","","","0.894","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205493","10.128","0.002","15.038","0.003","24.586","0.005","90","","99.7","0.03","90","","3691","1.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorobis[2-(2-pyridyl)phenyl-κ^2^N,C^1^](triphenylphosphine- κP)iridium(III)‒dichloromethane (2/3)","","- C41.5 H34 Cl4 Ir N2 P -","- C41.5 H34 Cl4 Ir N2 P -","- C166 H136 Cl16 Ir4 N8 P4 -","4","1","HB6165","Wang, Yuanmin; Teng, Feng; Tang, Aiwei; Wang, Yongsheng; Xu, Xurong","Chlorobis[2-(2-pyridyl)phenyl-κ^2^<i>N,C</i>^1^](triphenylphosphine-κ<i>P</i>)iridium(III) dichloromethane sesquisolvate","Acta Crystallographica Section E","2005","61","4","m778","m780","10.1107/S1600536805008913","","","0.71073","MoKα","","0.0752","0.0506","","","0.1118","0.1198","","","","","","0.958","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205494","7.941","0.002","12.199","0.002","9.804","0.002","90","","118.18","0.03","90","","837.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2'-Bipyrimidinium hexachlororhenate(IV) dihydrate","","- C8 H12 Cl6 N4 O2 Re -","- C8 H12 Cl6 N4 O2 Re -","- C16 H24 Cl12 N8 O4 Re2 -","2","0.5","HB6166","Andrzej Kochel","2,2'-Bipyrimidinium hexachlororhenate(IV) dihydrate","Acta Crystallographica Section E","2005","61","4","m759","m760","10.1107/S1600536805008937","","","0.71073","MoKα","","0.0469","0.0276","","","0.0536","0.0573","","","","","","1.074","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205495","11.045","0.0011","12.3699","0.0011","13.0539","0.0015","90","","113.148","0.01","90","","1639.9","0.3","153","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-dimethylpiperazinediium β-octamolybdate","","- C12 H32 Mo8 N4 O26 -","- C12 H32 Mo8 N4 O26 -","- C24 H64 Mo16 N8 O52 -","2","0.5","HB6167","Muller, Eric A.; Narducci Sarjeant, Amy; Norquist, Alexander J.","(C~6~H~16~N~2~)~2~[Mo~8~O~26~]: a new β-octamolybdate salt","Acta Crystallographica Section E","2005","61","4","m730","m732","10.1107/S1600536805008330","","","0.71073","MoKα","","0.0857","0.0429","","0.1104","0.0954","0.0954","","","","","","0.8516","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205496","7.2316","0.0003","10.5151","0.0004","13.4031","0.0005","90.5","0.002","103.127","0.003","100.594","0.0018","974.28","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis(1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene)zinc(II) bis(perchlorate)","","- C24 H28 Cl2 N8 O12 Zn -","- C24 H28 Cl2 N8 O12 Zn -","- C24 H28 Cl2 N8 O12 Zn -","1","0.5","HB6169","Einat Tirosh; Rozi Maman; Israel Goldberg","Tetraaquabis(1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene)zinc(II) bis(perchlorate) and its supramolecular assembly","Acta Crystallographica Section E","2005","61","4","m751","m754","10.1107/S1600536805008962","","","0.71073","MoKα","","0.0775","0.0578","","","0.1425","0.1517","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205497","12.7022","0.0008","11.705","0.001","20.493","0.001","90","","105.049","0.003","90","","2942.4","0.3","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","chlorotriphenyl[3-(piperidinium-1-yl)propionato]tin(V) chloroform solvate","","- C27 H31 Cl4 N O2 Sn -","- C27 H30 Cl4 N O2 Sn -","- C108 H120 Cl16 N4 O8 Sn4 -","4","1","HB6171","Yaw-Kai Yan; Lian Ee Khoo","A 1:1 adduct of 3-(piperidin-1-yl)propionic acid with triphenyltin chloride","Acta Crystallographica Section E","2005","61","4","m781","m783","10.1107/S1600536805009517","","","0.71073","MoKα","","0.07","0.0446","","","0.1093","0.1256","","","","","","0.962","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205498","9.9326","0.0003","11.8986","0.0004","13.1517","0.0004","82.779","0.0011","84.46","0.0015","78.7095","0.0012","1508.01","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Chlorobis(1,10-phenanthroline-κ^2^N,N')copper(II) nitrate 4-nitrobenzoic acid monohydrate","","- C31 H23 Cl Cu N6 O8 -","- C31 H23 Cl Cu N6 O8 -","- C62 H46 Cl2 Cu2 N12 O16 -","2","1","HB6173","Tu-Gen Xu; Jia-Geng Liu; Duan-Jun Xu","Chlorobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) nitrate 4-nitrobenzoic acid monohydrate","Acta Crystallographica Section E","2005","61","4","m787","m789","10.1107/S1600536805009529","","","0.71073","MoKα","","0.071","0.045","","","0.101","0.11","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205499","8.735","0.002","16.569","0.004","8.764","0.002","90","","113.81","0.04","90","","1160.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4-Dinitro-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]isoxazole","","- C10 H13 N3 O5 -","- C10 H13 N3 O5 -","- C40 H52 N12 O20 -","4","1","HG6133","Jan Lokaj; Viktor Kettmann; Viktor Milata; Milan Marko","4,4-Dinitro-5,6,7,8,9,10-hexahydro-4<i>H</i>-cyclonona[<i>d</i>]isoxazole","Acta Crystallographica Section E","2005","61","4","o808","o810","10.1107/S1600536805004186","","","0.71073","MoKα","","0.1451","0.0561","","","0.1346","0.1623","","","","","","0.913","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205500","8.109","0.001","6.6266","0.0008","8.381","0.001","90","","113.406","0.002","90","","413.3","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3-cyano-N-methylpyridinium bromide","","- C7 H7 Br N2 -","- C7 H7 Br N2 -","- C14 H14 Br2 N4 -","2","0.5","HG6136","Mague, Joel T.; Ivie, Ryan M.; Hartsock, Robert W.; Koplitz, Lynn Vogel; Spulak, Mary","3-Cyano-<i>N</i>-methylpyridinium bromide","Acta Crystallographica Section E","2005","61","4","o851","o853","10.1107/S1600536805006264","","","0.71073","MoKα","","0.0347","0.0291","","","0.0616","0.0629","","","","","","0.927","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205501","14.7792","0.0003","16.739","0.0002","14.692","0.0003","90","","132.09","0.0005","90","","2697.24","0.09","293","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 Cl N2 O4 -","- C30 H31 Cl N2 O4 -","- C120 H124 Cl4 N8 O16 -","4","1","HG6138","Shan-Zhong Jian; Jian-Ming Gu; Yan-Guang Wang","3-[(2<i>R</i>*,3<i>S</i>*)-3-(4-Chlorophenyl)-3-(2-methoxyanilino)-2-methylpropionyl]spiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","4","o814","o815","10.1107/S1600536805005854","","","0.7107","MoKα","","","0.038","","","","0.102","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205502","12.1981","0.001","10.1097","0.0008","19.9112","0.0016","90","","90","","90","","2455.4","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Phenyl-1-(1H-1,2,4-triazol-3-ylcarbonyl)thiosemicarbazide","","- C10 H10 N6 O S -","- C10 H10 N6 O S -","- C80 H80 N48 O8 S8 -","8","1","HG6140","Ding-Ben Chen; Ling Huang; Fu-You Pan; Jian-Guo Yang","4-Phenyl-1-(1<i>H</i>-1,2,4-triazol-3-ylcarbonyl)thiosemicarbazide","Acta Crystallographica Section E","2005","61","4","o836","o837","10.1107/S1600536805003387","","","0.71073","MoKα","","0.0746","0.0419","","","0.0699","0.0768","","","","","","0.85","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205503","11.3496","0.0019","18.016","0.003","10.9165","0.0018","90","","90","","90","","2232.1","0.6","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","3-(2,4-Dichlorophenyl)-4-[(1E)-(2,4-dichlorophenyl)methyleneamino]- 4,5-dihydro-1H-1,2,4-triazole-5-thione dimethylformamide solvate","","- C18 H15 Cl4 N5 O S -","- C18 H15 Cl4 N5 O S -","- C72 H60 Cl16 N20 O4 S4 -","4","1","HG6143","Fang, Xiao-Niu; Zhong, Fan; Dai, Mei-Zhen; Hu, Rong-Hua","3-(2,4-Dichlorophenyl)-4-[(1<i>E</i>)-(2,4-dichlorophenyl)methyleneamino]-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione dimethylformamide solvate","Acta Crystallographica Section E","2005","61","4","o863","o865","10.1107/S1600536805006240","","","0.71073","MoKα","","0.0581","0.0311","","","0.0371","0.0388","","","","","","0.821","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205504","8.295","0.002","13.178","0.007","24.714","0.004","90","","95.412","0.001","90","","2689.5","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","benzyltrimethylammonium dihydrogen orthophosphate monohydrate.","","- C10 H20 N O5 P -","- C10 H20 N O5 P -","- C80 H160 N8 O40 P8 -","8","2","HG6146","A. Criado; María Jesús Diánez; María Dolores Estrada; Simeón Pérez-Garrido; I. M. L. Fernandes; M. Belsley; E. de Matos Gomes","Benzyltrimethylammonium dihydrogen orthophosphate monohydrate","Acta Crystallographica Section E","2005","61","4","o1127","o1129","10.1107/S1600536805008755","","","0.71069","MoKα","","0.0753","0.0512","","0.1698","","0.1429","","","1.019","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205505","11.366","0.0007","21.4096","0.0012","12.9034","0.0011","90","","90","","90","","3139.9","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2,2-Dimethyl-4-oxo-1,3-thiazolidin-3-yl)-6- methylimidazo[2,1-b][1,3]thiazole-5-carboxamide monohydrate","","- C12 H16 N4 O3 S2 -","- C12 H16 N4 O3 S2 -","- C96 H128 N32 O24 S16 -","8","1","HG6147","Sema Öztürk Yıldırım; Mehmet Akkurt; Fusun Ur; Zafer Cesur; Nesrin Cesur; Orhan Büyükgüngör","<i>N</i>-(2,2-Dimethyl-4-oxo-1,3-thiazolidin-3-yl)-6-methylimidazo[2,1-<i>b</i>][1,3]thiazole-5-carboxamide monohydrate","Acta Crystallographica Section E","2005","61","4","o892","o894","10.1107/S1600536805006525","","","0.71073","MoKα","","0.086","0.0549","","","0.166","0.1783","","","","","","1.075","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205506","4.9264","0.0019","28","0.011","11.098","0.004","90","","97.957","0.007","90","","1516.1","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Hydroxy-2'-(4-isopropylbenzylidene)benzohydrazide","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","HG6148","Jian-Guo Yang; Fu-You Pan","2-Hydroxy-2'-(4-isopropylbenzylidene)benzohydrazide","Acta Crystallographica Section E","2005","61","4","o1038","o1040","10.1107/S1600536805007385","","","0.71073","MoKα","","0.1275","0.0763","","","0.2041","0.2283","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205507","16.544","0.002","15.0056","0.0019","7.3884","0.001","90","","100.22","0.002","90","","1805.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-5-(3,4-dimethoxyphenyl)-3,4-dimethylthiophene","","- C20 H19 Br O2 S -","- C20 H19 Br O2 S -","- C80 H76 Br4 O8 S4 -","4","1","HG6149","Lei, Yingjie; Shi, Jixian; Yu, Mei; Zheng, Xiufang","2-(4-Bromophenyl)-5-(3,4-dimethoxyphenyl)-3,4-dimethylthiophene","Acta Crystallographica Section E","2005","61","4","o873","o874","10.1107/S1600536805006288","","","0.71073","MoKα","","0.0913","0.0404","","","0.0903","0.1055","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205508","11.1573","0.0006","14.8063","0.0012","16.8629","0.0013","66.738","0.003","86.74","0.004","83.251","0.004","2541.4","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","N-(3-Methylphenyl)-N,N-bis(4-methylphenyl)amine","","- C21 H21 N -","- C21 H21 N -","- C126 H126 N6 -","6","3","HG6150","Manifar, Touraj; Rohani, Sohrab; Jennings, Michael, C.","<i>N</i>-(3-Methylphenyl)-<i>N,N</i>-bis(4-methylphenyl)amine","Acta Crystallographica Section E","2005","61","4","o1032","o1034","10.1107/S1600536805007488","","","0.71073","MoKα","","0.217","0.0711","","","0.1809","0.2448","","","","","","0.928","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205509","13.986","0.002","10.8228","0.0019","9.0976","0.0016","90","","108.474","0.004","90","","1306.1","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","benzamidinium tetrachlogallate(III)","benzamidinium tetrachlogallate(III)","","- C7 H9 Cl4 Ga N2 -","- C7 H9 Cl4 Ga N2 -","- C28 H36 Cl16 Ga4 N8 -","4","1","HG6154","Barker, James; Errington, William; Wallbridge, Malcolm G. H.","Benzamidinium tetrachlorogallate(III)","Acta Crystallographica Section E","2005","61","4","m748","m750","10.1107/S1600536805008597","","","0.71073","MoKα","","0.096","0.0434","","","0.0659","0.0786","","","","","","0.992","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205510","8.856","0.001","9.05","0.002","12.343","0.001","85.35","0.01","87.82","0.01","64.82","0.01","892.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Acetyl-2-phenyl-4-acetoxy-decahydroquinoline","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C38 H50 N2 O6 -","2","1","HG6155","R. Padmavathy; K. Saminathan; D. Natarajan; N. Bhavani; K. Sivakumar","1-Acetyl-2-phenylperhydroquinolin-4-yl acetate","Acta Crystallographica Section E","2005","61","4","o1109","o1111","10.1107/S1600536805008780","","","0.71073","MoKα","","0.0656","0.0485","","","0.1447","0.1544","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205511","5.6507","0.0006","12.8745","0.0017","24.386","0.003","90","","90","","90","","1774.1","0.4","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2S,3S)-3-phenyloxirane-2-carboxylate","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","HG6156","Shan-Zhong Jian; Yan-Guang Wang","(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexyl (2<i>S</i>,3<i>S</i>)-3-phenyloxirane-2-carboxylate","Acta Crystallographica Section E","2005","61","4","o1135","o1136","10.1107/S1600536805008883","","","0.71069","MoKα","","","0.0467","","","","0.1235","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205512","6.9483","0.0002","22.4844","0.0005","8.2364","0.0002","90","","92.765","0.001","90","","1285.26","0.06","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,5-dinitro-4-methylbenzoic acid DMSO solvate","3,5-dinitro-4-methylbenzoic acid dimethyl sulfoxide","","- C10 H12 N2 O7 S -","- C10 H12 N2 O7 S -","- C40 H48 N8 O28 S4 -","4","1","HG6157","Trask, A. V.; Abthorpe, M.; Jones, W.","4-Methyl-3,5-dinitrobenzoic acid‒dimethyl sulfoxide (1/1)","Acta Crystallographica Section E","2005","61","4","o1100","o1102","10.1107/S1600536805008779","","","0.71073","MoKα","","0.0626","0.0407","","","0.0914","0.1024","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205513","9.02","0.001","18.233","0.003","11.219","0.002","90","","107.908","0.002","90","","1755.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-tris(pyrimidin-2-ylsulfanyl)-1,3,5-triazine","","- C15 H9 N9 S3 -","- C15 H9 N9 S3 -","- C60 H36 N36 S12 -","4","1","HG6159","Zhang, Lei; Zhao, Xin-Hua; Wang, Xiao-Dong","2,4,6-Tris(pyrimidin-2-ylsulfanyl)-1,3,5-triazine","Acta Crystallographica Section E","2005","61","4","o1133","o1134","10.1107/S1600536805008901","","","0.71073","MoKα","","0.0613","0.035","","","","0.0895","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205514","14.251","0.0012","14.251","0.0012","14.251","0.0012","116.402","0.007","116.402","0.007","116.402","0.007","1391","0.8","298","2","298","2","","","","","","","","5","R -3 :R","-P 3*","148","","Potassium ethane-1,1-bis(diazeniumdiolate) monohydrate","","- C2 H6 K2 N4 O5 -","- C2 H6 K2 N4 O5 -","- C12 H36 K12 N24 O30 -","6","1","HK6000","Arulsamy, Navamoney; Bohle, D. Scott","Dipotassium ethane-1,1-diylbis(diazeniumdiolate) monohydrate","Acta Crystallographica Section E","2005","61","4","m764","m766","10.1107/S1600536805008822","","","0.71073","MoKα","","0.0472","0.0329","","","0.0772","0.0838","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205515","9.8647","0.0008","13.3308","0.001","16.9443","0.0014","90","","101.63","0.001","90","","2182.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[4-phenyl-5-(1H-1,2,4-triazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl] disulfide","","- C20 H14 N12 S2 -","- C20 H14 N12 S2 -","- C80 H56 N48 S8 -","4","1","IS6051","Fu-You Pan; Jian-Guo Yang; Ding-Ben Chen; Ling Huang","Bis[4-phenyl-5-(1<i>H</i>-1,2,4-triazol-3-yl)-4<i>H</i>-1,2,4-triazol-3-yl] disulfide","Acta Crystallographica Section E","2005","61","4","o866","o867","10.1107/S1600536805006276","","","0.71073","MoKα","","0.0655","0.0415","","","0.0789","0.0852","","","","","","0.868","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205516","8.424","0.005","10.184","0.005","20.943","0.005","90","","90","","90","","1796.7","1.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[triaquacadmium(II)-μ~3~-lactato] dilactatoboron(1-)]","","- C9 H19 B Cd O12 -","- C9 H19 B Cd O12 -","- C36 H76 B4 Cd4 O48 -","4","1","IS6052","Mehmet Akkurt; Sema Öztürk Yıldırım; Jayaraman Ramajothi; Orhan Büyükgüngör; Sivasubramanian Dhanuskodi","Poly[[triaquacadmium(II)-μ~3~-lactato] dilactatoboron(1‒)]","Acta Crystallographica Section E","2005","61","4","m632","m634","10.1107/S1600536805005970","","","0.71073","MoKα","","0.0311","0.0241","","","0.0505","0.0518","","","","","","0.933","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205517","8.863","0.0016","10.3923","0.0015","12.1022","0.0016","90","","100.466","0.002","90","","1096.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(1H-imidazole-κN^3^)bis(3-methylbenzoato-κO)copper(II)","","- C22 H22 Cu N4 O4 -","- C22 H22 Cu N4 O4 -","- C44 H44 Cu2 N8 O8 -","2","0.5","IS6053","Tu-Gen Xu; Jia-Geng Liu; Duan-Jun Xu","Bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(3-methylbenzoato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2005","61","4","m622","m624","10.1107/S1600536805005726","","","0.71073","MoKα","","0.049","0.039","","","0.098","0.103","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205518","4.911","0.0018","12.466","0.004","21.018","0.007","90","","91.299","0.006","90","","1286.4","0.8","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(2-Hydroxyphenyl)ethanone benzoylhydrazone","1-(2-Hydroxyphenyl)ethanone benzoylhydrazone","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","IS6055","Ngah, Nurziana; Mohamad, Nuriah; Ahmad, Musa; Yamin, Bohari M.","1-(2-Hydroxyphenyl)ethanone benzoylhydrazone","Acta Crystallographica Section E","2005","61","4","o969","o970","10.1107/S1600536805007191","","","0.71073","MoKα","","0.07","0.059","","","0.133","0.138","","","","","","1.24","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205519","6.9876","0.0003","8.1549","0.0004","8.6495","0.0003","63.53","0.002","85.004","0.003","85.179","0.002","438.96","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Chloroethyl)morpholinium chloride","","- C6 H13 Cl2 N O -","- C6 H13 Cl2 N O -","- C12 H26 Cl4 N2 O2 -","2","1","IS6056","Rajenahally S. Narasegowda; Hemmige S. Yathirajan; Padmarajaiah Nagaraja; Daniel E. Lynch","4-(2-Chloroethyl)morpholinium chloride","Acta Crystallographica Section E","2005","61","4","o849","o850","10.1107/S1600536805006136","","","0.71073","MoKα","","0.0351","0.0278","","","0.0716","0.078","","","","","","0.943","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205520","13.4973","0.0005","8.0905","0.0002","8.8358","0.0003","90","","102.627","0.002","90","","941.53","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Carbamoylmethyl)cyclohexanecarboxylic acid","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C36 H60 N4 O12 -","4","1","IS6057","Basavegowda Nagaraj; Hemmige S. Yathirajan; Padmarajaiah Nagaraja; Daniel E. Lynch","1-(Carbamoylmethyl)cyclohexanecarboxylic acid","Acta Crystallographica Section E","2005","61","4","o884","o885","10.1107/S1600536805006148","","","0.71073","MoKα","","0.0447","0.038","","","0.0989","0.1031","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205521","8.442","0.002","7.117","0.001","13.162","0.003","90","","103.76","0.03","90","","768.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-acetylpyridinium chloride","","- C7 H8 Cl N O -","- C7 H8 Cl N O -","- C28 H32 Cl4 N4 O4 -","4","1","IS6058","Andrzej Kochel","4-Acetylpyridinium chloride","Acta Crystallographica Section E","2005","61","4","o926","o927","10.1107/S1600536805006872","","","0.71073","MoKα","","0.141","0.0728","","","0.1543","0.1788","","","","","","1.103","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205522","5.617","0.0011","12.247","0.002","16.993","0.003","90","","93.06","0.03","90","","1167.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Chloromethyl-3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazole","","- C10 H9 Cl N2 O3 S -","- C10 H9 Cl N2 O3 S -","- C40 H36 Cl4 N8 O12 S4 -","4","1","IS6059","Wang, Hai-Bo; Chen, Jia-Hui; Pu, Yue-Qing; Wang, Jin-Tang","5-Chloromethyl-3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazole","Acta Crystallographica Section E","2005","61","4","o953","o954","10.1107/S1600536805007087","","","0.71073","MoKα","","0.0649","0.0435","","","0.1341","0.1486","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205523","4.7477","0.0005","5.5644","0.0008","47.983","0.003","90.205","0.009","90.523","0.007","102.288","0.01","1238.5","0.2","296","1","","","","","","","","","","3","P -1","-P 1","2","","Tricosane-1,23-dithiol","","- C23 H48 S2 -","- C23 H48 S2 -","- C46 H96 S4 -","2","1","IS6060","Naotake Nakamura; Hirotaka Shimizu; Yoshihiro Ogawa","Tricosane-1,23-dithiol","Acta Crystallographica Section E","2005","61","4","o1046","o1048","10.1107/S1600536805008032","","","1.5418","CuKα","","","0.056","","","","0.126","","","","","","1.001","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205524","7.7151","0.001","8.5541","0.0011","9.6887","0.0013","88.516","0.002","76.964","0.002","83.401","0.002","618.81","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-p-Tolyl-1,3,4,4a,5,6,7,8a-octahydro-2H-pyrano[2,3-d]pyrimidin-2-one","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C28 H36 N4 O4 -","2","1","JH6001","Lei Yan; Yu-Lin Zhu; Yuan-Jiang Pan","4-<i>p</i>-Tolyl-1,3,4,4a,5,6,7,8a-octahydro-2<i>H</i>-pyrano[2,3-<i>d</i>]pyrimidin-2-one","Acta Crystallographica Section E","2005","61","4","o1049","o1051","10.1107/S1600536805008147","","","0.71073","MoKα","","0.0429","0.0373","","","0.1083","0.1115","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205525","11.991","0.002","5.486","0.001","18.894","0.004","90","","94.64","0.03","90","","1238.8","0.4","293","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquacadmium(II)]-μ-4-(carboxylatomethylsulfanyl)phenyoxyacetato]","","- C10 H12 Cd O7 S -","- C10 H12 Cd O7 S -","- C40 H48 Cd4 O28 S4 -","4","0.5","KP6025","Gao, Shan; Su, Hong; Huo, Li Hua; Ng, Seik Weng","<i>catena</i>-Poly[[diaquacadmium(II)]-μ-4-(carboxylatomethylsulfanyl)phenoxyacetato]","Acta Crystallographica Section E","2005","61","4","m725","m726","10.1107/S1600536805008500","","","0.71073","MoKα","","0.039","0.035","","","0.093","0.094","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205526","7.8208","0.0011","11.0356","0.0014","11.5767","0.0015","91.531","0.01","102.391","0.011","91.567","0.011","975","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4,5-Bis(3-methoxythiophenoxy)phthalonitrile","","- C22 H16 N2 O2 S2 -","- C22 H16 N2 O2 S2 -","- C44 H32 N4 O4 S4 -","2","1","KP6030","Akbal, Tufan; Akdemir, Nesuhi; Özil, Musa; Ağar, Erbil; Erdönmez, Ahmet","4,5-Bis(3-methoxyphenylsulfanyl)phthalonitrile","Acta Crystallographica Section E","2005","61","4","o1121","o1122","10.1107/S1600536805008706","","","0.71073","MoKα","","0.1197","0.0514","","","0.1282","0.1513","","","","","","0.849","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205527","7.836","0.002","16.833","0.004","8.49","0.002","90","","96.72","0.02","90","","1112.2","0.5","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-bromobenzophenone","2-Bromobenzophenone","","- C13 H9 Br O -","- C13 H9 Br O -","- C52 H36 Br4 O4 -","4","1","KP6034","Baumer, Vyacheslav N.; Romashkin, Roman V.; Strzhemechny, Mikhail A.; Avdeenko, Anatoly A.; Pyshkin, Oleg S.; Zubatyuk, Roman I.; Buravtseva, Lyubov M.","2-Bromobenzophenone","Acta Crystallographica Section E","2005","61","4","o1170","o1172","10.1107/S1600536805009190","","","0.71073","MoKα","","","0.0383","","","","0.0641","","","","","","0.94","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205528","8.8423","0.0008","12.2784","0.0011","14.438","0.0013","90","","101.374","0.002","90","","1536.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(5-chloro-2-methyl-3-thienyl)cyclopentene","","- C15 H14 Cl2 S2 -","- C15 H14 Cl2 S2 -","- C60 H56 Cl8 S8 -","4","1","KP6041","Guan, Jin-Tao; Yin, Jun; Yu, Guang-Ao; Liu, Sheng-Hua","1,2-Bis(5-chloro-2-methyl-3-thienyl)cyclopentene","Acta Crystallographica Section E","2005","61","4","o951","o952","10.1107/S1600536805006033","","","0.71073","MoKα","","0.0814","0.0561","","","0.1652","0.1822","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205529","9.8562","0.0012","13.4978","0.0017","11.8371","0.0014","90","","90","","90","","1574.8","0.3","298","2","298","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","6,6'-Dioxo-2,2-bi(7-oxatricyclo[3.2.1.1^3,8^]nonane)-4,4'-dicarboxylic acid","","- C18 H18 O8 -","- C18 H18 O8 -","- C72 H72 O32 -","4","","KP6045","Mao-Lin Hu; Ya-Qian Cheng; Shun Wang; Ji-Xin Yuan; Xiao-Qing Cai","6,6'-Dioxo-2,2-bi(7-oxatricyclo[3.2.1.1^3,8^]nonane)-4,4'-dicarboxylic acid","Acta Crystallographica Section E","2005","61","4","o1196","o1197","10.1107/S1600536805009669","","","0.71073","MoKα","","0.0414","0.0403","","","0.0881","0.0887","","","","","","1.185","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205530","16.7835","0.0004","8.458","0.0002","18.0373","0.0005","90","","111.653","0.001","90","","2379.8","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 2-aminothiazole-4,5-dicarboxylate hemihydrate","","- C9 H13 N2 O4.5 S -","- C9 H13 N2 O4.5 S -","- C72 H104 N16 O36 S8 -","8","2","KP6046","Daniel E. Lynch; Ian McClenaghan","Diethyl 2-aminothiazole-4,5-dicarboxylate hemihydrate","Acta Crystallographica Section E","2005","61","4","o824","o826","10.1107/S1600536805006197","","","0.71073","MoKα","","0.0633","0.0457","","","0.1122","0.1218","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205531","12.485","0.004","13.666","0.004","25.801","0.008","90","","90","","90","","4402","2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-Diphenyl-5,5'-[o-phenylenebis(methylenethio)]di-1H-tetrazole","","- C22 H18 N8 S2 -","- C22 H18 N8 S2 -","- C176 H144 N64 S16 -","8","1","KP6048","Luo, Xiao-Lan; Wang, Wei; Ma, Guo-Chun; Zhang, Wen-Qin","1,1'-Diphenyl-5,5'-[<i>o</i>-phenylenebis(methylenethio)]di-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2005","61","4","o1161","o1162","10.1107/S1600536805009219","","","0.71073","MoKα","","0.0949","0.0513","","","0.111","0.1375","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205532","15.121","0.004","8.872","0.002","11.025","0.003","90","","90","","90","","1479","0.7","298","2","298","2","","","","","","","","3","C m c 21","C 2c -2","36","","9-Butyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","0.5","LH6333","Yu-Lin Zhu; Shen-Lin Huang; Yuan-Jiang Pan","9-Butyl-3,4,5,6,7,9-hexahydro-2<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2005","61","4","o1139","o1140","10.1107/S1600536805006501","","","0.71073","MoKα","","0.0605","0.0389","","","0.0823","0.0889","","","","","","0.877","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205533","6.9281","0.0002","8.6629","0.0002","24.3962","0.0007","90","","90","","90","","1464.2","0.07","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(3-Thienyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","LH6335","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(3-Thienyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile","Acta Crystallographica Section E","2005","61","4","o933","o935","10.1107/S160053680500680X","","","0.71073","MoKα","","0.0554","0.0395","","","0.0807","0.0871","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205534","5.8067","0.001","12.7007","0.0014","8.7274","0.0007","90","","99.643","0.014","90","","634.54","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Ferrocenyl-5-methyltetrahydrofuran-2-one","","- C15 H16 Fe O2 -","- C15 H16 Fe O2 -","- C30 H32 Fe2 O4 -","2","1","LH6364","Rybarczyk-Pirek, Agnieszka J.; Plażuk, Damian; Zakrzewski, Janusz","5-Ferrocenyl-5-methyltetrahydrofuran-2-one, the product of the Friedel‒Crafts reaction of ferrocene with γ-methylenebutyrolactone","Acta Crystallographica Section E","2005","61","4","m644","m646","10.1107/S1600536805006239","","","1.54178","CuKα","","0.0612","0.0488","","","0.1168","0.1274","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205535","27.937","0.009","8.828","0.003","19.072","0.006","90","","93.974","0.006","90","","4692","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[di-μ~3~-benzoato-tetra-μ~2~-benzoato-dipyrroletricadmium(II)]","","- C50 H38 Cd3 N2 O12 -","- C50 H38 Cd3 N2 O12 -","- C200 H152 Cd12 N8 O48 -","4","0.5","LH6367","Xuan-Wen Liu","<i>catena</i>-Poly[di-μ~3~-benzoato-tetra-μ~2~-benzoato-dipyrroletricadmium(II)]","Acta Crystallographica Section E","2005","61","4","m662","m663","10.1107/S160053680500677X","","","0.71073","MoKα","","0.0903","0.0432","","","0.0878","0.1149","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205536","7.3809","0.0001","8.3383","0.0001","11.8498","0.0002","94.659","0.001","97.724","0.001","93.244","0.001","718.597","0.018","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[diaquazinc(II)-μ-(diethyl dichloromethylenebisphosphonato)- κ^3^O,O':O''-tetraaquazinc(II)-μ-(diethyl dichloromethylenebisphosphonato)- κ^3^O:O',O'']","","- C5 H16 Cl2 O9 P2 Zn -","- C5 H16 Cl2 O9 P2 Zn -","- C10 H32 Cl4 O18 P4 Zn2 -","2","1","LH6370","Kontturi, Mervi; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","<i>catena</i>-Poly[diaquazinc(II)-μ-(diethyl dichloromethylenebisphosphonato)-κ^3^<i>O,O</i>':<i>O</i>''-tetraaquazinc(II)-μ-(diethyl dichloromethylenebisphosphonato)-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'']","Acta Crystallographica Section E","2005","61","4","m635","m637","10.1107/S1600536805005957","","","0.71073","MoKα","","0.0242","0.0202","","","0.0518","0.0531","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205537","7.5437","0.0002","8.5071","0.0002","11.8973","0.0004","97.4564","0.0012","97.4929","0.0011","91.4131","0.0012","749.92","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[diaquacadmium(II)-μ-(diethyl dichloromethylenebisphosphonato)- κ^3^O,O':O''-tetraaquacadmium(II)-μ-(diethyl dichloromethylenebisphosphonato)- κ^3^O:O',O'']","","- C5 H16 Cd Cl2 O9 P2 -","- C5 H16 Cd Cl2 O9 P2 -","- C10 H32 Cd2 Cl4 O18 P4 -","2","1","LH6371","Kontturi, Mervi; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","<i>catena</i>-Poly[diaquacadmium(II)-μ-(diethyl dichloromethylenebisphosphonato)-κ^3^<i>O,O</i>':<i>O</i>''-tetraaquacadmium(II)-μ-(diethyl dichloromethylenebisphosphonato)-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'']","Acta Crystallographica Section E","2005","61","4","m638","m640","10.1107/S1600536805005969","","","0.71073","MoKα","","0.0329","0.0261","","","0.0685","0.0716","","","","","","0.968","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205538","6.0502","0.0006","16.524","0.002","19.031","0.002","90","","95.744","0.007","90","","1893","0.4","93.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tert-Butyl 1,4-dioxo-3,6-diphenyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxylate","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C92 H80 N8 O16 -","4","1","LH6372","Imura, Yasuo; Senju, Takatoshi; Mizuguchi, Jin","<i>tert</i>-Butyl 1,4-dioxo-3,6-diphenyl-1,2,4,5-tetrahydropyrrolo[3,4-<i>c</i>]pyrrole-2-carboxylate","Acta Crystallographica Section E","2005","61","4","o816","o818","10.1107/S1600536805005829","","","1.5418","CuKα","","","0.0509","","","","0.1413","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205539","9.42","0.006","10.479","0.006","19.269","0.009","85.44","0.05","89.45","0.05","71.94","0.05","1802.4","1.8","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","Bis(triphenylsilyl) phenylphosphonate","","- C42 H35 O3 P Si2 -","- C42 H35 O3 P Si2 -","- C84 H70 O6 P2 Si4 -","2","1","LH6373","Ferguson, George; O'Leary, Brian J.; Spalding, Trevor R.","Bis(triphenylsilyl) phenylphosphonate","Acta Crystallographica Section E","2005","61","4","o838","o840","10.1107/S1600536805005945","","","0.7107","MoKα","","0.1508","0.0516","","","0.1189","0.1432","","","","","","0.949","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205540","7.3437","0.0004","17.944","0.001","21.34","0.001","90","","90","","90","","2812.1","0.3","295","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5-Bromo-1H-indole-3-carbaldehyde 2-thienoylhydrazone","","- C14 H10 Br N3 O S -","- C14 H10 Br N3 O S -","- C112 H80 Br8 N24 O8 S8 -","8","1","LH6375","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Lajis, Nordin Hj.; Basirun, Wan Jefri; Zain, Sharifuddin M.; Ng, Seik Weng","5-Bromo-1<i>H</i>-indole-3-carbaldehyde 2-thienoylhydrazone","Acta Crystallographica Section E","2005","61","4","o914","o915","10.1107/S1600536805006616","","","0.71073","MoKα","","0.082","0.053","","","0.131","0.151","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205541","8.9066","0.0005","11.7021","0.0006","11.7768","0.0006","90","","97.097","0.001","90","","1218.04","0.11","295","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Oxo-2,3-dihydro-1H-indol-3-one nicotinoylhydrazone","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","LH6376","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Basirun, Wan Jefri; Ng, Seik Weng","2-Oxo-2,3-dihydro-1<i>H</i>-indol-3-one nicotinoylhydrazone","Acta Crystallographica Section E","2005","61","4","o916","o917","10.1107/S1600536805006628","","","0.71073","MoKα","","0.047","0.036","","","0.099","0.109","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205542","11.4198","0.0007","11.0121","0.0007","12.2262","0.0008","90","","93.319","0.001","90","","1534.94","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Methoxybenzoyl)-N'-(4-methoxyphenyl)thiourea","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","LH6377","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Basirun, Wan Jefri; Ng, Seik Weng","<i>N</i>-(4-Methoxybenzoyl)-<i>N</i>'-(4-methoxyphenyl)thiourea","Acta Crystallographica Section E","2005","61","4","o1093","o1094","10.1107/S160053680500663X","","","0.71073","MoKα","","0.064","0.042","","","0.116","0.132","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205543","20.2456","0.0006","20.2456","0.0006","8.5209","0.0005","90","","90","","90","","3492.6","0.3","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","2,3-Bis(5-bromothien-2-yl)-6,7-dichloroquinoxaline","","- C16 H6 Br2 Cl2 N2 S2 -","- C16 H6 Br2 Cl2 N2 S2 -","- C128 H48 Br16 Cl16 N16 S16 -","8","1","LH6378","Stacy, Vanessa; Crundwell, Guy; Updegraff III, James B.; Zeller, Matthias; Hunter, Allen D.","2,3-Bis(5-bromo-2-thienyl)-6,7-dichloroquinoxaline","Acta Crystallographica Section E","2005","61","4","o904","o905","10.1107/S1600536805006793","","","0.71073","MoKα","","0.0407","0.031","","","0.0644","0.0674","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205544","7.8491","0.0002","10.2612","0.0003","11.2111","0.0005","78.5212","0.0012","89.0564","0.0012","73.722","0.002","848.68","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-ferrocene-1,1'-diyl)bis[chloro(N,N,N',N'- tetramethylethylenediamine)aluminium","","- C32 H48 Al2 Cl2 Fe2 N4 -","- C32 H48 Al2 Cl2 Fe2 N4 -","- C32 H48 Al2 Cl2 Fe2 N4 -","1","0.5","LH6380","Schachner, Jörg A.; Lund, Clinton L.; Quail, J. Wilson; Müller, Jens","The first aluminium-bridged [1.1]ferrocenophane","Acta Crystallographica Section E","2005","61","4","m682","m684","10.1107/S1600536805007695","","","0.71073","MoKα","","0.0819","0.0469","","","0.1044","0.1195","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205545","10.284","0.002","13.055","0.003","19.015","0.004","91.75","0.02","105.47","0.02","106.31","0.02","2346","0.9","294","1","294","1","","","","","","","","6","P -1","-P 1","2","","Tris(triphenylsilyl)phosphate dichloromethane solvate","","- C54.26 H45.53 Cl0.53 O4 P Si3 -","- C54.263 H45.526 Cl0.526 O4 P Si3 -","- C108.526 H91.052 Cl1.052 O8 P2 Si6 -","2","1","LH6381","Ferguson, George; O'Leary, Brian J.; Spalding, Trevor R.","Tris(triphenylsilyl)phosphate dichloromethane solvate","Acta Crystallographica Section E","2005","61","4","o906","o907","10.1107/S1600536805006604","","","0.7107","MolybdenumKα","","0.1763","0.0591","","","0.109","0.1304","","","","","","0.856","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205546","7.5132","0.0005","7.8133","0.0003","16.1313","0.0011","77.537","0.004","89.546","0.003","65.6","0.003","838.53","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","2,6-Bis(4-nitrobenzylidene)cyclohexanone","","- C20 H16 N2 O5 -","- C20 H16 N2 O5 -","- C40 H32 N4 O10 -","2","1","LH6382","Quail, J. Wilson; Das, Umashankar; Dimmock, Jonathan R.","2,6-Bis(4-nitrobenzylidene)cyclohexanone","Acta Crystallographica Section E","2005","61","4","o1150","o1152","10.1107/S1600536805008871","","","0.71073","MoKα","","0.0923","0.056","","","0.1166","0.1318","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205547","13.4405","0.0011","6.4774","0.0005","9.3684","0.0007","90","","90","","90","","815.61","0.11","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Adeninium(2+) dichloride","","- C5 H7 Cl2 N5 -","- C5 H7 Cl2 N5 -","- C20 H28 Cl8 N20 -","4","0.5","LH6383","Thomas C. Lewis; Derek A. Tocher","Redetermination of adeninium dichloride: the question of centrosymmetry","Acta Crystallographica Section E","2005","61","4","o1052","o1054","10.1107/S1600536805007993","","","0.71073","MoKα","","0.0243","0.0241","","","0.0626","0.0627","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205548","9.364","0.004","11.445","0.004","13.597","0.006","90","","108.46","0.02","90","","1382.2","1","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorobis(pyridinium-2-thiolato)cadmium(II)","","- C10 H10 Cd Cl2 N2 S2 -","- C10 H10 Cd Cl2 N2 S2 -","- C40 H40 Cd4 Cl8 N8 S8 -","4","0.5","LH6384","Yi-Hang Wen; Yun-Long Feng","Dichlorobis(pyridinium-2-thiolato)cadmium(II)","Acta Crystallographica Section E","2005","61","4","m767","m768","10.1107/S1600536805009426","","","0.71073","MoKα","","","0.0189","","","0.0457","0.0464","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205549","7.127","0.0001","12.63","0.0004","13.2847","0.0004","107.338","0.0013","103.623","0.0017","101.423","0.0018","1061.98","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","11-(4-chlorophenyl)-10-methyl-8-phenyl-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline","","- C27 H20 Cl N3 -","- C27 H20 Cl N3 -","- C54 H40 Cl2 N6 -","2","1","LH6385","Serrano, Hugo; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","11-(4-Chlorophenyl)-10-methyl-8-phenyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinoline","Acta Crystallographica Section E","2005","61","4","o1058","o1060","10.1107/S160053680500797X","","","0.71073","MoKα","","0.0589","0.0412","","","0.1003","0.1101","","","","","","1.079","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205550","12.5653","0.0013","8.3613","0.001","9.9285","0.0015","90","","90.694","0.01","90","","1043","0.2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-ethylenedisuccinimide","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","1","LH6386","Christopher L. Brown; Sarah J. Atkinson; Peter C. Healy","<i>N</i>,<i>N</i>'-Ethylenedisuccinimide","Acta Crystallographica Section E","2005","61","4","o1072","o1073","10.1107/S1600536805008226","","","0.7107","MoKα","","0.0657","0.0482","","","0.124","0.1367","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205551","10.3982","0.0007","5.7749","0.0004","11.248","0.0008","90","","96.132","0.001","90","","671.56","0.08","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C34 H32 O6 -","2","1","LH6387","George R. Clark; Kit Yee Tsang; Margaret A. Brimble","5-Methoxyspiro[1-benzofuran-2(3<i>H</i>),2'-chroman]","Acta Crystallographica Section E","2005","61","4","o1123","o1124","10.1107/S1600536805008743","","","0.71073","MoKα","","0.034","0.0298","","","0.0771","0.08","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205552","6.5683","0.0002","6.7921","0.0002","22.4418","0.0006","90","","94.206","0.002","90","","998.49","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde","","- C11 H9 Cl N2 O -","- C11 H9 Cl N2 O -","- C44 H36 Cl4 N8 O4 -","4","1","LH6388","Trilleras, Jorge; Quiroga, Jaime; Cobo, Justo; Low, John N.; Glidewell, Christopher","5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde: sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section E","2005","61","4","o1055","o1057","10.1107/S1600536805007981","","","0.71073","MoKα","","0.0418","0.0334","","","0.0801","0.0847","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205553","18.924","0.0002","10.996","0.001","8.8821","0.0001","90","","92.58","0.001","90","","1846.39","0.17","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis[tris(3,5-dimethylpyrazolyl)methane]nickel(II) dibromide","","- C32 H44 Br2 N12 Ni -","- C32 H44 Br2 N12 Ni -","- C64 H88 Br4 N24 Ni2 -","2","0.25","LH6391","Annie Michaud; Frédéric-Georges Fontaine; Davit Zargarian","Bis[tris(3,5-dimethylpyrazolyl)methane]nickel(II) dibromide","Acta Crystallographica Section E","2005","61","4","m784","m786","10.1107/S1600536805009451","","","1.54178","CuKα","","0.0436","0.0402","","0.1105","","0.1082","","","1.07","","","1.114","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205554","20.203","0.005","17.021","0.006","9.643","0.003","90","","90","","90","","3316","1.8","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Succinimido 4-(N-maleimidomethyl)cyclohexanecarboxylate","2,5-dioxo-3-pyrrolidin-1-yl 4-[(2,5-dioxo-3-pyrrolin-1-yl)methyl]cyclohexanecarboxylate","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C128 H144 N16 O48 -","8","1","LH6393","Christopher L. Brown; Sarah J. Atkinson; Peter C. Healy","Succinimido 4-(<i>N</i>-maleimidomethyl)cyclohexanecarboxylate","Acta Crystallographica Section E","2005","61","4","o1203","o1204","10.1107/S1600536805009074","","","0.7107","MoKα","","0.1201","0.0425","","","0.1063","0.132","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205555","9.498","0.001","13.028","0.001","16.598","0.002","90","","95.04","0.01","90","","2045.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl[4-methyl-2,6-bis(phenyliminomethyl)phenolato-κ^2^N,O]gallium(III)","","- C23 H23 Ga N2 O -","- C23 H23 Ga N2 O -","- C92 H92 Ga4 N8 O4 -","4","1","NG6095","Gu, Wei-Jin; Li, Yi-Zhi; Pan, Yi; Liu, San-Hui","Dimethyl[4-methyl-2,6-bis(phenyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]gallium(III)","Acta Crystallographica Section E","2005","61","4","m614","m615","10.1107/S1600536805005702","","","0.71073","MoKα","","0.0564","0.0374","","","0.0824","0.0849","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205556","6.434","0.0013","22.876","0.005","16.273","0.003","90","","95.87","0.03","90","","2382.6","0.8","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Heptaaqua(isonicotinato-κ^2^O,O')lanthanum(III) 1,5-naphthalenedisulfonate","","- C16 H24 La N O15 S2 -","- C16 H24 La N O15 S2 -","- C64 H96 La4 N4 O60 S8 -","4","1","NG6104","Gao, Shan; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui","Heptaaqua(isonicotinato-κ^2^<i>O,O</i>')lanthanum(III) 1,5-naphthalenedisulfonate","Acta Crystallographica Section E","2005","61","4","m656","m658","10.1107/S1600536805006513","","","0.71073","MoKα","","0.0463","0.0381","","","0.119","0.1254","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205557","9.5218","0.0006","13.5515","0.0008","13.6083","0.0008","89.216","0.001","78.692","0.001","82.348","0.001","1706.38","0.18","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-carboxybenzenesulfonato)bis(1,10-phenanthroline)manganese(II)","","- C38 H26 Mn N4 O10 S2 -","- C38 H26 Mn N4 O10 S2 -","- C76 H52 Mn2 N8 O20 S4 -","2","1","NG6119","Zhang, Li-Ping; Zhu, Long-Guan; Xiao, Hong-Ping","Bis(4-carboxybenzenesulfonato)bis(1,10-phenanthroline)manganese(II)","Acta Crystallographica Section E","2005","61","4","m705","m707","10.1107/S1600536805008020","","","0.71073","MoKα","","0.077","0.0718","","","0.1418","0.1444","","","","","","1.252","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205558","13.0071","0.0005","13.9756","0.0006","9.7024","0.0004","90","","96.042","0.002","90","","1753.92","0.12","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(1H-benzimidazole-κN^3^)manganese(II)]-μ-aqua-μ-succinato-κ^2^O:O']","","- C18 H18 Mn N4 O5 -","- C18 H18 Mn N4 O5 -","- C72 H72 Mn4 N16 O20 -","4","0.5","NG6122","Hong Li; Jia-Geng Liu; Duan-Jun Xu","Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)manganese(II)]-μ-aqua-μ-succinato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","4","m761","m763","10.1107/S1600536805009098","","","0.71073","MoKα","","0.029","0.027","","","0.074","0.075","","","","","","1.107","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205559","10.1597","0.0018","17.105","0.002","12.593","0.002","90","","100.178","0.004","90","","2154","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-dichlorobis(phenanthroline-κ^2^N,N')manganese(II)","","- C24 H16 Cl2 Mn N4 -","- C24 H16 Cl2 Mn N4 -","- C96 H64 Cl8 Mn4 N16 -","4","1","OB6468","Tian-Tian Pan; Duan-Jun Xu","A polymorph of <i>cis</i>-dichlorobis(phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section E","2005","61","4","m740","m742","10.1107/S1600536805002916","","","0.71073","MoKα","","0.099","0.075","","","0.199","0.221","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205560","7.339","0.001","7.521","0.001","12.23","0.004","98.66","0.02","99.26","0.02","111.13","0.01","605.3","0.2","291","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","OB6478","De Borger, Roeland; Vande Velde, Christophe M.L.; Blockhuys, Frank","(<i>E</i>)-1-(4-Methylphenyl)-2-(4-nitrophenyl)ethene","Acta Crystallographica Section E","2005","61","4","o819","o821","10.1107/S1600536805005830","","","0.71069","MoKα","","","0.0515","","","","0.1838","","","","","","1.011","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205561","6.2769","0.0016","8.6095","0.001","14.775","0.003","91.154","0.012","90.796","0.018","103.908","0.014","774.7","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","(3RS,1SR)-3-Bromo-3-(1-phenylpropyl)chroman-2,4-dione","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C36 H30 Br2 O6 -","2","1","OB6484","Schollmeyer, Dieter; Bernd Kammerer; Christian Peifer; Stefan Laufer","(3<i>RS</i>,1<i>S</i><i>R</i>)-3-Bromo-3-(1-phenylpropyl)chroman-2,4-dione","Acta Crystallographica Section E","2005","61","4","o868","o869","10.1107/S1600536805006124","","","1.54178","CuKα","","0.0458","0.0411","","","0.1115","0.1153","","","","","","1.117","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205562","6.756","0.002","8.783","0.003","11.271","0.004","90","","90","","90","","668.8","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R*,2S*,4S*,5S*)-Cyclohexane-1,2,4,5-tetraol","","- C6 H12 O4 -","- C6 H12 O4 -","- C24 H48 O16 -","4","1","OB6485","Goverdhan Mehta; Saikat Sen; Siddharth Dey","(1<i>R</i>*,2<i>S</i>*,4<i>S</i>*,5<i>S</i>*)-Cyclohexane-1,2,4,5-tetrol","Acta Crystallographica Section E","2005","61","4","o920","o922","10.1107/S1600536805006653","","","0.71073","MoKα","","0.0295","0.0289","","","0.0804","0.0808","","","","","","1.182","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205563","16.688","0.004","12.946","0.003","19.178","0.004","90","","111.97","0.02","90","","3842.4","1.6","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis[3,5-di-tert-butyl-2-hydroxybenzoato-κO]bis(dimethyl sulfoxide-κO)zinc(II)","","- C34 H54 O8 S2 Zn -","- C34 H54 O8 S2 Zn -","- C136 H216 O32 S8 Zn4 -","4","1","OB6486","Makino, Takashi; Mizuguchi, Jin","Bis[3,5-di-<i>tert</i>-butyl-2-hydroxybenzoato-κ<i>O</i>]bis(dimethyl sulfoxide-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2005","61","4","m679","m681","10.1107/S1600536805007397","","","1.5418","CuKα","","","0.0584","","","","0.1703","","","","","","0.472","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2205564","8.043","0.001","11.877","0.001","20.233","0.003","90","","99.4","0.01","90","","1906.8","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 3-amino-1-(2-chlorophenyl)-9-methoxy-5,6-dihydro-1H- naphtha[2,1-b]pyran-2-carboxylate","","- C22 H20 Cl N O4 -","- C22 H20 Cl N O4 -","- C88 H80 Cl4 N4 O16 -","4","1","OB6487","Xiang-Shan Wang; Zhao-Sen Zeng; Yu-Ling Li; Da-Qing Shi; Xian-Yong Wei; Zhi-Min Zong","Methyl 3-amino-1-(2-chlorophenyl)-9-methoxy-5,6-dihydro-1<i>H</i>-naphtho[2,1-<i>b</i>]pyran-2-carboxylate","Acta Crystallographica Section E","2005","61","4","o923","o925","10.1107/S1600536805006641","","","0.71073","MoKα","","0.0712","0.0397","","","0.0907","0.098","","","","","","0.869","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205565","3.782","0.001","14.84","0.004","12.942","0.003","90","","91.93","0.02","90","","726","0.3","93.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,9-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione","","- C20 H10 Cl2 N2 O2 -","- C20 H10 Cl2 N2 O2 -","- C40 H20 Cl4 N4 O4 -","2","0.5","OB6489","Senju, Takatoshi; Hoki, Tomonori; Mizuguchi, Jin","2,9-Dichloro-5,12-dihydroquino[2,3-<i>b</i>]acridine-7,14-dione","Acta Crystallographica Section E","2005","61","4","o1061","o1063","10.1107/S1600536805007634","","","1.5418","CuKα","","","0.1","","","","0.35","","","","","","1.143","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205566","24.271","0.006","11.2","0.003","23.316","0.006","90","","109.679","0.003","90","","5968","3","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis(1,4-dimethylpyridinium) dodecamolybdophosphate nitrate","","- C28 H40 Mo12 N5 O43 P -","- C28 H40 Mo12 N5 O43 P -","- C112 H160 Mo48 N20 O172 P4 -","4","0.5","OB6490","Xue-Jie Tan; Si-Xiu Sun; Jian-Ping Ma; Shu-Lian Liu; Dian-Xiang Xing","Tetrakis(1,4-dimethylpyridinium) dodecamolybdophosphate nitrate","Acta Crystallographica Section E","2005","61","4","m711","m713","10.1107/S1600536805008044","","","0.71073","MoKα","","0.1217","0.081","","","0.1665","0.1831","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205567","4.729","0.002","8.282","0.002","14.693","0.004","89.35","0.02","91.15","0.03","104.83","0.03","556.2","0.3","93.2","","","","","","","","","","","4","P -1","-P 1","2","","Dibenzimidazo[2,1-a:2',1'-a']anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline- 10,21-dione","","- C36 H16 N4 O2 -","- C36 H16 N4 O2 -","- C36 H16 N4 O2 -","1","0.5","OB6491","Mizuguchi, Jin","Dibenzimidazo[2,1-<i>a</i>:2',1'-<i>a</i>']anthra[2,1,9-<i>def</i>:6,5,10-<i>d</i>'<i>e</i>'<i>f</i>']diisoquinoline-10,21-dione: <i>trans</i> form (I)","Acta Crystallographica Section E","2005","61","4","o1064","o1065","10.1107/S1600536805008056","","","1.5418","CuKα","","","0.1018","","","","0.2218","","","","","","0.933","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205568","4.7501","0.0006","28.079","0.003","8.728","0.001","90","","99.21","0.01","90","","1149.1","0.2","93.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibenzimidazo[2,1-a:2',1'-a']anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline- 10,21-dione","","- C36 H16 N4 O2 -","- C36 H16 N4 O2 -","- C72 H32 N8 O4 -","2","0.5","OB6492","Mizuguchi, Jin","Dibenzimidazo[2,1-<i>a</i>:1',2'-<i>b</i>']anthra[2,1,9-<i>def</i>:6,5,10-<i>d</i>'<i>e</i>'<i>f</i>']diisoquinoline-6,11-dione: <i>cis</i> form (II)","Acta Crystallographica Section E","2005","61","4","o1066","o1067","10.1107/S1600536805008068","","","1.5418","CuKα","","","0.0825","","","","0.1955","","","","","","1.144","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205569","3.871","0.0004","21.44","0.002","18.7091","0.0019","90","","95.555","0.002","90","","1545.5","0.3","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,E,E)-1,6-Bis(4-nitrophenyl)hexa-1,3,5-triene","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","OB6494","Yoriko Sonoda; Yuji Kawanishi; Midori Goto","(<i>E</i>,<i>E</i>,<i>E</i>)-1,6-Bis(4-nitrophenyl)hexa-1,3,5-triene","Acta Crystallographica Section E","2005","61","4","o1200","o1202","10.1107/S1600536805009736","","","0.71073","MoKα","","0.0585","0.04","","","0.1047","0.1258","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205570","9.797","0.002","10.29","0.003","13.856","0.003","90","","90","","90","","1396.8","0.6","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-tert-Butyl-4-isopropylideneamino-3-methylsulfanyl-1,2,4-triazin-5(4H)-one","","- C11 H18 N4 O S -","- C11 H18 N4 O S -","- C44 H72 N16 O4 S4 -","4","1","OB6495","Chopra, Deepak; Mohan, T. P.; Rao, K.S.; Guru Row, T. N.","6-<i>tert</i>-Butyl-4-isopropylideneamino-3-methylsulfanyl-1,2,4-triazin-5(4<i>H</i>)-one","Acta Crystallographica Section E","2005","61","4","o1112","o1114","10.1107/S1600536805008585","","","0.71073","MoKα","","0.0547","0.047","","","0.1027","0.1058","","","","","","1.151","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205571","10.044","0.002","7.2816","0.0015","25.006","0.005","90","","90","","90","","1828.8","0.6","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cu2Br4(mu-O-Py-NO2)2","Bis(μ-4-nitropyridine N-oxide-κ^2^O:O)bis[bromocopper(II)]","","- C10 H8 Br4 Cu2 N4 O6 -","- C10 H8 Br4 Cu2 N4 O6 -","- C40 H32 Br16 Cu8 N16 O24 -","4","0.5","OM6228","Twamley, Brendan","Bis(μ-4-nitropyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[dibromocopper(II)]","Acta Crystallographica Section E","2005","61","4","m619","m621","10.1107/S1600536805005441","","","0.71073","MoKα","","0.0542","0.0443","","","0.1074","0.1142","","","","","","1.073","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205572","5.995","0.004","10.54","0.004","12.586","0.006","90","","90","","90","","795.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[zinc(II)-μ~2~-azido-κ^2^N^1^:N^1^-μ~3~-nicotinato-κ^3^N:O:O']","","- C6 H4 N4 O2 Zn -","- C6 H4 N4 O2 Zn -","- C24 H16 N16 O8 Zn4 -","4","1","OM6229","Chen, Hong-Ji","Poly[zinc(II)-μ~2~-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^-μ~3~-nicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","4","m616","m618","10.1107/S1600536805005866","","","0.71073","MoKα","","0.0283","0.0242","","","0.0583","0.0599","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205573","12.415","0.0007","12.415","0.0007","28.03","0.003","90","","90","","120","","3741.5","0.5","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(μ~4~-2-amino-2-methylpropane-1,3-diolato)hexachloroheptairon(II,III) acetonitrile disolvate monohydrate","","- C28 H62 Cl6 Fe7 N8 O13 -","- C28 H59.94 Cl6 Fe7 N8 O13 -","- C84 H179.82 Cl18 Fe21 N24 O39 -","3","0.166667","OM6230","Gaël Labat; Colette Boscovic; Hans U. Güdel","Hexakis(μ~4~-2-amino-2-methylpropane-1,3-diolato)hexachloroheptairon(II,III) acetonitrile disolvate monohydrate","Acta Crystallographica Section E","2005","61","4","m611","m613","10.1107/S160053680500557X","","","0.71073","MoKα","","0.114","0.0652","","","0.156","0.1688","","","","","","0.883","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205574","7.285","0.001","24.298","0.002","11.945","0.001","90","","93.523","0.002","90","","2110.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-Piperidine-κ^2^N:N'-bis[(3-nitrobenzoato-κO)silver(I)] monohydrate","","- C18 H20 Ag2 N4 O9 -","- C18 H20 Ag2 N4 O9 -","- C72 H80 Ag8 N16 O36 -","4","1","OM6231","Li, Yu-Guang; Wang, Meng; Zhu, Hai-Liang","μ-Piperidine-κ^2^<i>N</i>:<i>N</i>'-bis[(3-nitrobenzoato-κ<i>O</i>)silver(I)] monohydrate","Acta Crystallographica Section E","2005","61","4","m667","m668","10.1107/S1600536805007026","","","0.71073","MoKα","","0.0603","0.0509","","","0.1089","0.1149","","","","","","1.045","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205575","10.492","0.0006","23.6166","0.0013","10.6391","0.0006","90","","91.436","0.001","90","","2635.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ~2~-Iodo-bis[(1,10-phenanthroline-κ^2^N,N')copper(I)] acetonitrile solvate","","- C26 H19 Cu2 I2 N5 -","- C26 H19 Cu2 I2 N5 -","- C104 H76 Cu8 I8 N20 -","4","1","RN6037","Zhou, Xiao-Ping; Li, Dan; Ng, Seik Weng","Di-μ~2~-Iodo-bis[(1,10-phenanthroline-κ^2^N,N')copper(I)] acetonitrile solvate","Acta Crystallographica, Section E","2005","61","4","m654","1m655","10.1107/S1600536805006458","","","0.71073","MoKα","","0.0581","0.041","","","0.0991","0.107","","","","","","1.026","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205576","4.8587","0.0011","13.228","0.003","14.612","0.003","90","","93.862","0.004","90","","937","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Guaninium chloride dihydrate","","- C5 H10 Cl N5 O3 -","- C5 H10 Cl N5 O3 -","- C20 H40 Cl4 N20 O12 -","4","1","RN6044","Thomas C. Lewis; Derek A. Tocher","Redetermination of guaninium chloride dihydrate","Acta Crystallographica Section E","2005","61","4","o1023","o1025","10.1107/S160053680500752X","","","0.71073","MoKα","","0.0401","0.0315","","","0.0778","0.0817","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205577","10.63","0.019","18","0.03","12.54","0.02","90","","108.75","0.03","90","","2272","7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-{3-Cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-4- nitrobenzamide ethanol solvate","","- C20 H14 Cl2 F3 N5 O4 -","- C20 H14 Cl2 F3 N5 O4 -","- C80 H56 Cl8 F12 N20 O16 -","4","1","RZ6048","Zhong, Ping; Yang, Zhiping; Shi, Qian","<i>N</i>-{3-Cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazol-5-yl}-4-nitrobenzamide ethanol solvate","Acta Crystallographica Section E","2005","61","4","o841","o842","10.1107/S1600536805006112","","","0.71073","MoKα","","0.078","0.055","","","0.15","0.167","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205578","6.7145","0.0012","10.931","0.002","13.616","0.003","77.464","0.003","83.116","0.003","81.47","0.003","960.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(4-methoxyphenyl)methylene]imino- 1H-pyrazole-3-enitrile","","- C19 H11 Cl2 F3 N4 O -","- C19 H11 Cl2 F3 N4 O -","- C38 H22 Cl4 F6 N8 O2 -","2","1","RZ6054","Zhang, Xiaohong; Yang, Zhiping; Zhong, Ping; Hu, Maolin","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(4-methoxyphenyl)methyleneimino]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","4","o908","o909","10.1107/S1600536805006707","","","0.71073","MoKα","","0.125","0.09","","","0.194","0.211","","","","","","1.146","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205579","8.9637","0.0009","24.689","0.003","9.099","0.0009","90","","117.788","0.006","90","","1781.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3-(9-Ethyl-9H-carbazol-3-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","RZ6055","Cao, Du-Xia; Li, Guo-Zhong; Xue, Gang; Yu, Wen-Tao; Liu, Zhi-Qiang","(<i>E</i>)-3-(9-Ethyl-9<i>H</i>-carbazol-3-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","4","o977","o979","10.1107/S1600536805006987","","","0.71073","MoKα","","0.1091","0.0492","","","0.1114","0.1446","","","","","","0.951","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205580","5.8149","0.0005","10.9359","0.001","12.9304","0.0012","73.684","0.002","86.383","0.001","79.589","0.002","776.09","0.12","84","1","84","1","","","","","","","","3","P -1","-P 1","2","","6,8'-Dimethoxy-2,2'-spirobichroman","","- C19 H20 O4 -","- C19 H20 O4 -","- C38 H40 O8 -","2","1","RZ6056","George R. Clark; Christopher L. Flowers; Margaret A. Brimble","6,8'-Dimethoxy-2,2'-spirobichroman","Acta Crystallographica Section E","2005","61","4","o910","o911","10.1107/S1600536805006938","","","0.71073","MoKα","","0.1301","0.068","","","0.146","0.1734","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205581","5.362","0.0001","8.5764","0.0002","15.0992","0.0004","75.564","0.001","80.4","0.001","79.137","0.001","655.13","0.03","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(dimethyl sulfoxide)bis(2,4-dinitrobenzoato)cobalt(II)","","- C18 H22 Co N4 O16 S2 -","- C18 H22 Co N4 O16 S2 -","- C18 H22 Co N4 O16 S2 -","1","0.5","RZ6058","Miminoshvili, Elguja B.; Miminoshvili, Ketevan E.; Sobolev, Alexandre N.","Diaquabis(dimethyl sulfoxide)bis(2,4-dinitrobenzoato)cobalt(II)","Acta Crystallographica Section E","2005","61","4","m775","m777","10.1107/S1600536805009050","","","0.71073","MoKα","","0.0307","0.0259","","","0.0721","0.0747","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205582","4.693","0.001","19.14","0.003","12.682","0.002","90","","97.973","0.002","90","","1128.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(o-Tolyliminomethyl)phenol","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","RZ6059","Cheng, Kui; You, Zhong-Lu; Li, Yu-Guang; Zhu, Hai-Liang","2-(<i>o</i>-Tolyliminomethyl)phenol","Acta Crystallographica Section E","2005","61","4","o1137","o1138","10.1107/S1600536805008986","","","0.71073","MoKα","","0.1013","0.0565","","","0.1222","0.1419","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205583","10.931","0.002","9.149","0.002","12.522","0.001","90","","110.94","0.02","90","","1169.6","0.4","298","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[2-(o-tolyliminomethyl)phenolato]copper(II)","","- C28 H24 Cu N2 O2 -","- C28 H24 Cu N2 O2 -","- C56 H48 Cu2 N4 O4 -","2","0.5","RZ6060","Zhu, Hai-Liang; Cheng, Kui; You, Zhong-Lu; Li, Yu-Guang","Bis[2-(<i>o</i>-tolyliminomethyl)phenolato]copper(II)","Acta Crystallographica Section E","2005","61","4","m755","m756","10.1107/S1600536805009025","","","0.71073","MoKα","","0.1146","0.0597","","","0.1566","0.1969","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205584","19.994","0.003","5.402","0.0008","9.0305","0.0015","90","","99.939","0.013","90","","960.7","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylaminium chloride","","- C7 H5 Cl F5 N O -","- C7 H5 Cl F5 N O -","- C28 H20 Cl4 F20 N4 O4 -","4","1","RZ6061","Maria Gdaniec","<i>O</i>-(2,3,4,5,6-Pentafluorobenzyl)hydroxylaminium chloride","Acta Crystallographica Section E","2005","61","4","o1187","o1189","10.1107/S1600536805009347","","","0.71073","MoKα","","0.0757","0.039","","","0.0807","0.0895","","","","","","0.897","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205585","12.439","0.004","16.9472","0.0018","7.4504","0.0008","90","","106.437","0.018","90","","1506.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methylanilinium picrate","","- C13 H12 N4 O7 -","- C13 H12 N4 O7 -","- C52 H48 N16 O28 -","4","1","SG6000","Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Jan Fraanje; Rene Peschar; Kandasamy Sivakumar","3-Methylanilinium picrate","Acta Crystallographica Section E","2005","61","4","o1153","o1155","10.1107/S1600536805009189","","","1.54178","CuKα","","0.0647","0.0552","","","0.1596","0.1702","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205586","13.636","0.006","7.218","0.003","12.467","0.006","90","","105.398","0.006","90","","1183","0.9","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(±)-5-Ethyl-1-methyl-5-phenylpyrimidine-2,4,6-trione","(±)-5-Ethyl-1-methyl-5-phenylpyrimidine-2,4,6-trione","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","SJ6050","Lewis, William; McKeown, Robert H.; Robinson, Ward T.","(±)-5-Ethyl-1-methyl-5-phenylpyrimidine-2,4,6-trione at 163K","Acta Crystallographica Section E","2005","61","4","o799","o800","10.1107/S1600536805005593","","","0.71073","MoKα","","0.0669","0.0421","","","0.1092","0.1273","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205587","8.3575","0.0014","15.114","0.002","7.184","0.0012","90","","90","","90","","907.4","0.2","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Dibromoazulene","1,3-Dibromoazulene","","- C10 H6 Br2 -","- C10 H6 Br2 -","- C40 H24 Br8 -","4","0.5","SJ6051","Chen, Xue-Yi; Dias, Jerry R.; Powell, Doug R.; Van Horn, J. David; Sandreczki, Thomas C.","1,3-Dibromoazulene","Acta Crystallographica Section E","2005","61","4","o941","o943","10.1107/S1600536805006811","","","0.71073","MoKα","","0.018","0.0162","","","0.0445","0.0457","","","","","","0.957","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205588","7.487","0.003","23.287","0.009","5.675","0.002","90","","95.579","0.007","90","","984.7","0.6","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","Diiodoazulene","1,3-Diiodoazulene","","- C10 H6 I2 -","- C10 H6 I2 -","- C40 H24 I8 -","4","1","SJ6052","Chen, Xue-Yi; Dias, Jerry R.; Powell, Doug R.; Van Horn, J. David; Sandreczki, Thomas C.","1,3-Diiodoazulene","Acta Crystallographica Section E","2005","61","4","o944","o946","10.1107/S1600536805006823","","","0.71073","MoKα","","0.0212","0.0211","","","0.055","0.055","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205589","10.597","0.005","11.996","0.011","13.046","0.006","85.58","0.06","73.76","0.04","76.2","0.07","1546.2","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Octaureasamarium(III) triiodide","","- C8 H32 I3 N16 O8 Sm -","- C8 H32 I3 N16 O8 Sm -","- C16 H64 I6 N32 O16 Sm2 -","2","1","SJ6053","Elena V. Savinkina; Yana F. Al Ansari; Ilya A. Zamilatskov; Dmitry V. Albov; Aslan Yu. Tsivadze","Octaureasamarium(III) triiodide","Acta Crystallographica Section E","2005","61","4","m664","m666","10.1107/S1600536805006781","","","0.71073","MoKα","","0.0823","0.0363","","","0.0507","0.0581","","","","","","0.93","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205590","13.27","0.005","11.612","0.005","10.53","0.006","90","","112.48","0.03","90","","1499.3","1.3","297","2","297","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Diaqua[(1R,2R)-N,N'-bis(3,5-dibromosalicylidene)cyclohexane-1,2-diamine- κ^4^O,N,N',O']manganese(III) perchlorate dihydrate","","- C20 H24 Br4 Cl Mn N2 O10 -","- C20 H16 Br4 Cl Mn N2 O10 -","- C40 H32 Br8 Cl2 Mn2 N4 O20 -","2","1","SJ6054","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-bis(3,5-dibromosalicylidene)cyclohexane-1,2-diamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate dihydrate","Acta Crystallographica Section E","2005","61","4","m772","m774","10.1107/S1600536805009062","","","0.71073","MoKα","","0.1037","0.0416","","","0.0983","0.1224","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205591","7.547","0.003","9.122","0.002","11.437","0.003","107.905","0.002","108.506","0.004","92.139","0.003","702.5","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2-(2,3-Dimethoxyphenyl)chroman-4-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","SJ6057","Hui Wu; Zhou Xu; Jun Zhou; Yongmin Liang","2-(2,3-Dimethoxyphenyl)chroman-4-one","Acta Crystallographica Section E","2005","61","4","o1095","o1096","10.1107/S160053680500838X","","","0.71073","MoKα","","0.1093","0.0514","","","0.1065","0.126","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205592","28.991","0.002","5.9448","0.0005","21.5013","0.0018","90","","111.848","0.002","90","","3439.5","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis[4,4'-oxydibenzoato(1-)]cadmium(II)]-μ-1,2-di-4- pyridylethylene]","","- C40 H28 Cd N2 O10 -","- C40 H28 Cd N2 O10 -","- C160 H112 Cd4 N8 O40 -","4","0.5","SJ6058","Yin, De-Wu; Xiao, Hong-Ping","<i>catena</i>-Poly[[bis[4,4'-oxydibenzoato(1‒)]cadmium(II)]-μ-1,2-di-4-pyridylethylene]","Acta Crystallographica Section E","2005","61","4","m708","m710","10.1107/S1600536805008007","","","0.71073","MoKα","","0.0637","0.056","","","0.1191","0.1231","","","","","","1.209","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205593","7.6386","0.0009","8.259","0.002","15.761","0.0012","84.415","0.012","89.48","0.008","74.529","0.019","953.6","0.3","292","2","292","2","","","","","","","","3","P 1","P 1","1","","17-Oxo-5β-hydroxyandrostan-3β-yl acetate","","- C21 H32 O4 -","- C21 H32 O4 -","- C42 H64 O8 -","2","2","SJ6059","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.","17-Oxo-5β-hydroxyandrostan-3β-yl acetate","Acta Crystallographica Section E","2005","61","4","o1144","o1146","10.1107/S1600536805008895","","","1.5418","CuKα","","0.0358","0.0324","","","0.0882","0.092","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205594","8.7176","0.0004","7.5589","0.0003","17.5879","0.0007","90","","100.666","0.002","90","","1138.94","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl β-N-(3-nitrophenylmethylene)dithiocarbazate","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","SJ6063","Yan-Ling Zhang; Shang Shan; Duan-Jun Xu","Methyl β-<i>N</i>-(3-nitrophenylmethylene)dithiocarbazate","Acta Crystallographica Section E","2005","61","4","o1173","o1175","10.1107/S1600536805009281","","","0.71073","MoKα","","0.059","0.032","","","0.074","0.079","","","","","","0.876","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205595","6.044","0.0004","14.6516","0.0009","16.8653","0.0011","90","","100.266","0.005","90","","1469.58","0.17","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzoin thiosemicarbazone","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C60 H60 N12 O4 S4 -","4","1","SU6174","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim","Benzoin thiosemicarbazone","Acta Crystallographica Section E","2005","61","4","o880","o883","10.1107/S160053680500646X","","","0.71073","MoKα","","0.0482","0.0362","","","0.1027","0.1067","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205596","24.733","0.009","4.42","0.002","12.376","0.004","90","","90.72","0.006","90","","1352.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2-(1-naphthyliminomethyl)phenol","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C68 H48 Cl4 N4 O4 -","4","1","SU6175","Li, Zong-Xiao; Zhang, Xin-Li","4-Chloro-2-(1-naphthyliminomethyl)phenol","Acta Crystallographica Section E","2005","61","4","o875","o876","10.1107/S1600536805006392","","","0.71073","MoKα","","0.0954","0.0554","","","0.1089","0.1249","","","","","","0.995","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205597","21.893","0.009","7.756","0.003","13.187","0.007","90","","112.23","0.03","90","","2072.7","1.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1S*,4aR*,8aR*)-decahydronaphthalene-1-carboxylic acid","","- C11 H18 O2 -","- C11 H18 O2 -","- C88 H144 O16 -","8","1","SU6176","Davison, Mark; Lalancette, Roger A.; Thompson, Hugh W.","Formation of non-centrosymmetric dimers in (1<i>S</i>*,4a<i>R</i>*,8a<i>R</i>*)-decahydronaphthalene-1-carboxylic acid","Acta Crystallographica Section E","2005","61","4","o877","o879","10.1107/S1600536805006410","","","0.71073","MoKα","","0.087","0.055","","","0.14","0.162","","","","","","1.01","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205598","23.469","0.005","8.953","0.005","8.492","0.005","90","0.005","95.879","0.005","90","0.005","1774.9","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,5-Bis(pivaloylsulfanyl)-1,3-dithiolane-2-thione","","- C13 H18 O2 S5 -","- C13 H18 O2 S5 -","- C52 H72 O8 S20 -","4","0.5","SU6177","Wang, Yan Ling; Yu, Wen Tao; Xu, Dong; Wang, Xin Qiang; Zhang, Guang Hui","4,5-Bis(pivaloylsulfanyl)-1,3-dithiolane-2-thione","Acta Crystallographica Section E","2005","61","4","o971","o973","10.1107/S160053680500721X","","","0.71069","MoKα","","0.0782","0.0607","","","0.1578","0.1695","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205599","30.514","0.003","8.436","0.002","7.742","0.002","90","","90","","90","","1992.9","0.7","273","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","{1,1'-[Propane-1,3-diylbis(nitrilomethylidyne)]di-2-naphtholato}iron(II)","","- C25 H20 Fe N2 O2 -","- C25 H20 Fe N2 O2 -","- C100 H80 Fe4 N8 O8 -","4","0.5","SU6178","Zhao, Bin; Sun, Yu-Xi","{1,1'-[Propane-1,3-diylbis(nitrilomethylidyne)]di-2-naphtholato}iron(II)","Acta Crystallographica Section E","2005","61","4","m652","m653","10.1107/S1600536805006409","","","0.71073","MoKα","","0.0494","0.04","","","0.0916","0.0963","","","","","","0.996","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205600","19.288","0.004","15.84","0.003","15.485","0.003","90","","124.297","0.003","90","","3908.4","1.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-Bis(3-nitrobenzylidene)-trans-1,2-cyclohexanediamine","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C160 H160 N32 O32 -","8","1","SU6179","Liu, Zhao-Di; Tan, Min-Yu; Zhu, Hai-Liang","<i>N</i>,<i>N</i>'-Bis(3-nitrobenzylidene)-<i>trans</i>-1,2-cyclohexanediamine","Acta Crystallographica Section E","2005","61","4","o962","o963","10.1107/S1600536805007099","","","0.71073","MoKα","","0.206","0.093","","","0.1561","0.1988","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205601","10.912","0.007","7.797","0.005","20.777","0.013","90","","96.899","0.013","90","","1754.9","1.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{2-[3-(cyclohexylammonio)propyliminomethyl]phenolato}dithiocyanatocobalt(II)","","- C34 H48 Co N6 O2 S2 -","- C34 H48 Co N6 O2 S2 -","- C68 H96 Co2 N12 O4 S4 -","2","0.5","SU6180","Yue, Guo-Ren; Shi, Yu-Zhen; Lin, Min; Feng, Lei","Bis{2-[3-(cyclohexylammonio)propyliminomethyl]phenolato}dithiocyanatocobalt(II)","Acta Crystallographica Section E","2005","61","4","m720","m721","10.1107/S1600536805008251","","","0.71073","MoKα","","0.1326","0.0609","","","0.1345","0.192","","","","","","0.844","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205602","10.216","0.001","15.053","0.002","10.61","0.001","90","","91.164","0.002","90","","1631.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[N,N-Dimethyl-N'-(2-pyridylmethylene)ethane-1,2-diamine]dithiocyanatocopper(II)","","- C12 H15 Cu N5 S2 -","- C12 H15 Cu N5 S2 -","- C48 H60 Cu4 N20 S8 -","4","1","SU6181","Yue, Guo-Ren; Xu, Xin-Jian; Shi, Yu-Zhen; Feng, Lei","[<i>N,N</i>-Dimethyl-<i>N</i>'-(2-pyridylmethylene)ethane-1,2-diamine]dithiocyanatocopper(II)","Acta Crystallographica Section E","2005","61","4","m693","m694","10.1107/S1600536805007567","","","0.71073","MoKα","","0.0625","0.039","","","0.0975","0.1098","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205603","11.75","0.002","7.41","0.002","33.842","0.007","90","","90","","90","","2946.5","1.1","298","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","catena-Poly[[[4-bromo-2-(2-dimethylaminoethyliminomethyl)phenolato]zinc(II)]- μ-thiocyanato]","","- C12 H14 Br N3 O S Zn -","- C12 H14 Br N3 O S Zn -","- C96 H112 Br8 N24 O8 S8 Zn8 -","8","2","SU6182","Yue, Guo-Ren; Lei, Xin-You; Xu, Xin-Jian; Xue, Guo-Qing","<i>catena</i>-Poly[[[4-bromo-2-(2-dimethylaminoethyliminomethyl)phenolato]zinc(II)]-μ-thiocyanato]","Acta Crystallographica Section E","2005","61","4","m722","m724","10.1107/S1600536805008305","","","0.71073","MoKα","","0.0539","0.0405","","","0.0869","0.0933","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205604","6.413","0.002","7.285","0.003","15.654","0.006","97.229","0.004","92.625","0.004","105.2","0.005","697.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,4,6-triamino-1,3,5-triazin-1-ium 4-methylbenzenesulfonate monohydrate","","- C10 H16 N6 O4 S -","- C10 H16 N6 O4 S -","- C20 H32 N12 O8 S2 -","2","1","TK6211","Li, Xue-Mei; Lu, Li-Ping; Feng, Si-Si; Zhang, Hong-Mei; Qin, Shi-Dong; Zhu, Miao-Li","2,4,6-Triamino-1,3,5-triazin-1-ium 4-methylbenzenesulfonate monohydrate","Acta Crystallographica Section E","2005","61","4","o811","o813","10.1107/S1600536805005842","","","0.71073","MoKα","","0.052","0.046","","","0.132","0.136","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205605","11.909","0.004","6.166","0.002","16.937","0.006","90","","110.278","0.007","90","","1166.6","0.7","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4:5,8-dimethano-1,1a,4,4a,5,5a,8,8a-octahydroanthracene-9,10-dione","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","TK6215","Andrey A. Yakovenko; Fedor M. Dolgushin","Redetermination of the Diels‒Alder diadduct of 1,4-benzoquinone and cyclopentadiene: 1,4:5,8-dimethano-1,1a,4,4a,5,5a,8,8a-octahydroanthracene-9,10-dione","Acta Crystallographica Section E","2005","61","4","o1178","o1179","10.1107/S1600536805009311","","","0.71073","MoKα","","0.05","0.042","","","0.081","0.084","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205606","10.061","0.002","11.763","0.002","19.337","0.004","100.87","0.03","100.71","0.03","108.14","0.03","2061.1","0.9","293","2","","","","","","","","","","6","P -1","-P 1","2","","trans-Carbonylchlorobis(tri-m-tolylphosphino)rhodium(I) dichloromethane solvate","","- C44 H44 Cl3 O P2 Rh -","- C44 H44 Cl3 O P2 Rh -","- C88 H88 Cl6 O2 P4 Rh2 -","2","1","WK6036","Meijboom, Reinout; Muller, Alfred; Roodt, Andreas","<i>trans</i>-Carbonylchlorobis(tri-<i>m</i>-tolylphosphino)rhodium(I) dichloromethane solvate","Acta Crystallographica Section E","2005","61","4","m699","m701","10.1107/S1600536805005738","","","0.71073","MoKα","","","0.0617","","","","0.1509","","","","","","1.015","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2205607","11.496","0.002","13.755","0.003","15.052","0.003","110.74","0.01","93.45","0.01","100.09","0.01","2172.1","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Hemi[4-(carboxymethoxy)phenylsulfanylacetato-κ^2^O,O']hemi[4- (carboxymethylsulfanyl)phenyloxyacetato]bis(1,10-phenanthroline- κ^2^N,N')cadmium(II) 4-(carboxymethoxy)phenylsulfanylacetate dihydrate","","- C44 H38 Cd N4 O12 S2 -","- C44 H38 Cd N4 O12 S2 -","- C88 H76 Cd2 N8 O24 S4 -","2","1","WK6040","Huo, Li-Hua; Gao, Shan; Zhao, Hui; Ng, Seik Weng","Hemi[4-(carboxymethoxy)phenylsulfanylacetato-κ^2^<i>O,O</i>']hemi[4-(carboxymethylsulfanyl)phenyloxyacetato]bis(1,10-phenanthroline-κ^2^<i>N,N</i>')cadmium(II) 4-(carboxymethoxy)phenylsulfanylacetate dihydrate","Acta Crystallographica Section E","2005","61","4","m727","m729","10.1107/S1600536805006665","","","0.71073","MoKα","","0.091","0.062","","","0.181","0.203","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2205608","6.902","0.002","9.036","0.002","15.164","0.004","103.6","0.01","93.36","0.01","108.75","0.01","861.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","μ-[2,8-Dimethyl-5,11-bis(dimethylethyleneamine)-1,4,5,6,7,10,11,12- octahydroimidazo[4,5-h]imidazo[4,5-c][1,6]diazecine]bis[aquasulfatocopper(II)] hexahydrate","","- C20 H52 Cu2 N8 O16 S2 -","- C20 H52 Cu2 N8 O16 S2 -","- C20 H52 Cu2 N8 O16 S2 -","1","0.5","WK6042","Gasque, Laura; Mijangos, Edgar; Ortiz-Frade, Luis","[μ-5,11-Bis(dimethylethyleneamino)-2,8-dimethyl-1,4,5,6,7,10,11,12-octahydroimidazo[4,5-<i>h</i>]imidazo[4,5-<i>c</i>][1,6]diazecine]bis[aquasulfatocopper(II)] hexahydrate: a dinuclear copper sulfate complex based on a diazecine ligand","Acta Crystallographica Section E","2005","61","4","m673","m676","10.1107/S1600536805006896","","","0.71073","MoKα","","0.1276","0.0609","","","0.1179","0.1482","","","","","","0.978","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205609","15.641","0.002","14.2886","0.0018","17.112","0.002","90","","112.678","0.002","90","","3528.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Benzoyl-1-tert-butyl-2-(2-tert-butyl-1,2-dibenzoylhydrazinosulfanyl)- 1-(3,5-dimethylbenzoyl)hydrazine","","- C38 H42 N4 O4 S -","- C38 H42 N4 O4 S -","- C152 H168 N16 O16 S4 -","4","1","WK6044","Shang, Jian; Wang, Qing-Min; Song, Hai-Bin; Huang, Run-Qiu; Chen, Li; Mao, Chun-Hui","2-Benzoyl-1-<i>tert</i>-butyl-2-(1,2-dibenzoyl-2-<i>tert</i>-butylhydrazinosulfanyl)-1-(3,5-dimethylbenzoyl)hydrazine","Acta Crystallographica Section E","2005","61","4","o936","o938","10.1107/S1600536805006537","","","0.71073","MoKα","","0.113","0.045","","","0.104","0.137","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205610","9.4362","0.0005","13.9625","0.0007","10.1948","0.0005","90","","90.78","0.001","90","","1343.07","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Octapotassium di-μ-sulfato-κ^2^O:O'-bis[cis-dioxo-cis-disulfatotungstate(VI)]","","- K8 O28 S6 W2 -","- K8 O28 S6 W2 -","- K16 O56 S12 W4 -","2","0.5","WM6051","Susan J. Cline Schäffer; Rolf W. Berg","Potassium bis(μ-sulfato-1κ<i>O</i>:2κ<i>O</i>')bis[<i>cis</i>-dioxido-<i>cis</i>-bis(sulfato-κ<i>O</i>)tungstate(VI)]","Acta Crystallographica Section E","2005","61","4","i49","i51","10.1107/S1600536805007579","","","0.71073","MoKα","","0.0136","0.0132","","","0.0309","0.0311","","","","","","1.125","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205611","6.946","0.002","6.157","0.002","11.172","0.006","90","","90","","90","","477.8","0.3","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","ammonium hexaaquacobalt(II) orthophosphate","","- Co H16 N O10 P -","- Co H16 N O10 P -","- Co2 H32 N2 O20 P2 -","2","0.5","WM6054","El Bali, Brahim; Esseli, Rachid; Capitelli, Francesco; Lachkar, Mohammed","Reinvestigation of NH~4~[Co(H~2~O)~6~]PO~4~ based on single-crystal data","Acta Crystallographica Section E","2005","61","4","i52","i54","10.1107/S1600536805007245","","","0.71073","MoKα","","0.0385","0.0293","","","0.0634","0.0663","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2205612","16.292","0.001","7.2154","0.0006","13.68","0.001","90","","90","","90","","1608.1","0.2","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","caesium thorium phyllosilicate","cesium thorium(IV) silicate","","- Cs2 O15 Si6 Th -","- Cs2 O15 Si6 Th -","- Cs8 O60 Si24 Th4 -","4","1","WM6055","Woodward, Jonathan D.; Almond, Philip M.; Albrecht-Schmitt, Thomas E.","Caesium thorium silicate, Cs~2~ThSi~6~O~15~","Acta Crystallographica, Section E","2005","61","4","i58","i60","10.1107/S1600536805008421","","","0.71073","MoKα","","0.0405","0.0353","","","0.0744","0.0759","","","","","","1.066","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2205613","7.067","0.001","7.368","0.001","7.852","0.001","81.23","0.01","70.68","0.01","88.54","0.01","381.18","0.09","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","Diammonium cobalt(II) dihydrogendiphosphate(V) dihydrate","","- Co H16 N2 O16 P4 -","- Co H16 N2 O16 P4 -","- Co H16 N2 O16 P4 -","1","0.5","WM6057","Essehli, Rachid; Lachkar, Mohammed; Svoboda, Ingrid; Fuess, Hartmut; El Bali, Brahim","(NH~4~)~2~[Co(H~2~P~2~O~7~)~2~(H~2~O)~2~]","Acta Crystallographica Section E","2005","61","4","i61","i63","10.1107/S1600536805008639","","","0.71073","MoKα","","0.0366","0.0338","","","0.0834","0.0851","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205614","7.0344","0.0009","7.3214","0.0009","7.792","0.001","81.53","0.01","70.91","0.01","88.21","0.01","375.03","0.09","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","Diammonium nickel(II) dihydrogendiphosphate(V) dihydrate","","- H16 N2 Ni O16 P4 -","- H16 N2 Ni O16 P4 -","- H16 N2 Ni O16 P4 -","1","0.5","WM6058","Essehli, Rachid; Lachkar, Mohammed; Svoboda, Ingrid; Fuess, Hartmut; El Bali, Brahim","(NH~4~)~2~[Ni(H~2~P~2~O~7~)~2~(H~2~O)~2~]","Acta Crystallographica Section E","2005","61","4","i64","i66","10.1107/S1600536805008640","","","0.71073","MoKα","","0.0341","0.033","","","0.1059","0.1069","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205615","9.4794","0.0011","7.9025","0.0009","16.2016","0.0019","90","","94.089","0.003","90","","1210.6","0.2","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","Amygdalin tri-hydrate","(R)-1-cyano-1-(phenylmethyl)-β-D-glucopyranosyl-(1→6)-β-D- glucopyranoside","","- C20 H33 N O14 -","- C20 H33 N O14 -","- C40 H66 N2 O28 -","2","1","WN6326","Eriksson, Lars; Widmalm, Göran","Amygdalin trihydrate","Acta Crystallographica Section E","2005","61","4","o860","o862","10.1107/S1600536805006227","","","0.891","synchrotron","","0.0407","0.0372","","","0.0959","0.0973","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205616","15.554","0.006","10.012","0.004","8.856","0.004","90","","96.217","0.008","90","","1371","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(2-Hydroxybenzylidene)hydrazinocarbonyl]-1H-1,2,4-triazole ethanol solvate","","- C12 H15 N5 O3 -","- C12 H15 N5 O3 -","- C48 H60 N20 O12 -","4","1","WN6328","Chang-Hua Ge; Jian-Guo Yang; Fu-You Pan","3-[(2-Hydroxybenzylidene)hydrazinocarbonyl]-1<i>H</i>-1,2,4-triazole ethanol solvate","Acta Crystallographica Section E","2005","61","4","o833","o835","10.1107/S1600536805006069","","","0.71073","MoKα","","0.1293","0.0764","","","0.2018","0.2293","","","","","","0.959","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205617","5.4716","0.0004","12.48","0.001","16.695","0.001","90","","90","","90","","1140.03","0.14","292","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,2'-Diaminodibenzyl","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","WN6331","Narasegowda, R. S.; Malathy Sony, S. M.; Mondal, S.; Nagaraj, B.; Yathirajan, H. S.; Narasimhamurthy, T.; Charles, P.; Ponnuswamy, M. N.; Nethaji, M.; Rathore, R. S.","2,2'-Diaminodibenzyl: a rare case of crystallographically non-compliant molecular symmetry","Acta Crystallographica Section E","2005","61","4","o843","o845","10.1107/S1600536805006021","","","0.71073","MoKα","","0.0446","0.04","","","0.0998","0.1025","","","","","","1.108","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205618","7.7442","0.0011","8.6866","0.0012","8.7559","0.0012","90.213","0.003","110.427","0.003","103.074","0.003","535.46","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cd2 Cl4 N6 S2 -","- C12 H18 Cd2 Cl4 N6 S2 -","- C12 H18 Cd2 Cl4 N6 S2 -","1","0.5","WN6332","Radosavljević Evans, Ivana; Mészáros Szécsényi, Katalin; Leovac, Vukadin M.","Di-μ-chloro-bis{chloro[3,5-dimethyl-1-(thiocarbamoyl)pyrazole-κ^2^<i>N</i>^2^,<i>S</i>]cadmium(II)}","Acta Crystallographica Section E","2005","61","4","m641","m643","10.1107/S1600536805006173","","","0.71073","MoKα","","0.0313","0.0234","","0.0544","0.0526","0.0526","","","","","","0.9109","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205619","7.663","0.004","12.119","0.007","18.303","0.009","90","","93.217","0.014","90","","1697.1","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(2-Hydroxyphenyl)amino]-1-phenylbut-3-en-1-one ethanol solvate","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","WN6333","Yao-Cheng Shi","3-[(2-Hydroxyphenyl)amino]-1-phenylbut-3-en-1-one ethanol solvate","Acta Crystallographica Section E","2005","61","4","o1130","o1132","10.1107/S1600536805008925","","","0.71073","MoKα","","0.1115","0.0582","","","0.1584","0.1891","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205620","14.031","0.003","5.5082","0.001","14.601","0.003","90","","107.412","0.003","90","","1076.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenylalaninium malonate L-phenylalanine","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C42 H52 N4 O16 -","2","1","WN6334","M. Alagar; R. V. Krishnakumar; P. Parimala Devi; S. Natarajan","<small>L</small>-Phenylalanine <small>L</small>-phenylalaninium malonate","Acta Crystallographica Section E","2005","61","4","o992","o994","10.1107/S1600536805007014","","","0.71073","MoKα","","0.056","0.0351","","","0.0903","0.1012","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205621","8.5622","0.0004","14.0393","0.0007","14.7524","0.0007","90","","90","","90","","1773.35","0.15","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Bis-(3-methyl-4-aminopyridine)-Zinc(II)isothiocyanate","Bis(4-amino-3-methylpyridine)diisothiocyanatozinc(II)","","- C14 H16 N6 S2 Zn -","- C14 H16 N6 S2 Zn -","- C56 H64 N24 S8 Zn4 -","4","0.5","WN6335","Suchada Chantrapromma; Hoong-Kun Fun; Xiao-Jun Feng; Jia-Xiang Yang; Jie-Ying Wu; Yu-Peng Tian","Bis(4-amino-3-methylpyridine)diisothiocyanatozinc(II)","Acta Crystallographica Section E","2005","61","4","m733","m735","10.1107/S160053680500810X","","","0.71073","MoKα","","0.0402","0.0312","","","0.0815","0.0894","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205622","8.7855","0.0007","9.8033","0.0007","14.874","0.001","88.368","0.001","79.065","0.001","64.09","0.001","1129.21","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-Bromo-2-(2-bromo-4,5-dimethoxybenzyl)-1-phenylsulfonyl-1H-indole","","- C23 H19 Br2 N O4 S -","- C23 H19 Br2 N O4 S -","- C46 H38 Br4 N2 O8 S2 -","2","1","WN6336","T. Ravishankar; K. Chinnakali; N. Arumugam; P. C. Srinivasan; Anwar Usman; Hoong-Kun Fun","3-Bromo-2-(2-bromo-4,5-dimethoxybenzyl)-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2005","61","4","o998","o1000","10.1107/S1600536805007348","","","0.71073","MoKα","","0.0904","0.0416","","","0.0816","0.0998","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205623","8.232","0.004","6.065","0.003","16.71","0.009","90","","97.864","0.006","90","","826.4","0.7","292.15","","292.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(4-dimethylaminobenzyl)-2,3-diaza-1,3-butadiene","","- C18 H22 N4 -","- C18 H22 N4 -","- C36 H44 N8 -","2","0.5","WN6337","Qing-Hua Wang; Guo-Cong Guo; Ming-Sheng Wang","1,4-Bis(4-dimethylaminobenzyl)-2,3-diaza-1,3-butadiene","Acta Crystallographica Section E","2005","61","4","o1156","o1157","10.1107/S1600536805008664","","","0.71073","MoKα","","0.1004","0.065","","","0.1475","0.1669","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205624","9.6003","0.0011","13.0545","0.0015","7.6874","0.0009","90","","90","","90","","963.44","0.19","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,4-Dichloro-6-morpholino-1,3,5-triazine","","- C7 H8 Cl2 N4 O -","- C7 H8 Cl2 N4 O -","- C28 H32 Cl8 N16 O4 -","4","0.5","WN6338","Dong, Chuan-Ming; Chen, Li-Gong; Duan, Xue-Min; Shu, Xue-Gui; Zeng, Tao; Yan, Xi-Long","2,4-Dichloro-6-morpholino-1,3,5-triazine","Acta Crystallographica Section E","2005","61","4","o1168","o1169","10.1107/S1600536805008949","","","0.71073","MoKα","","0.035","0.0292","","","0.0837","0.0866","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205625","9.877","0.002","4.6915","0.001","32.603","0.006","90","","106.25","0.01","90","","1450.4","0.5","105","2","105","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","DL-methionine","DL-methionine","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C40 H88 N8 O16 S8 -","8","1","WN6339","M. Alagar; R. V. Krishnakumar; A. Mostad; S. Natarajan","β-<small>DL</small>-Methionine at 105 K","Acta Crystallographica Section E","2005","61","4","o1165","o1167","10.1107/S1600536805009141","","","0.71073","MoKα","","0.0422","0.0408","","","0.0996","0.1003","","","","","","1.231","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205626","9.8818","0.0005","24.3572","0.0013","9.7867","0.0005","90","","99.42","0.001","90","","2323.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(3-Bromo-1-phenylsulfonyl-1H-indole-2-ylmethylsulfanyl)-6-methyl-1H- benzimidazole","","- C23 H18 Br N3 O2 S2 -","- C23 H18 Br N3 O2 S2 -","- C92 H72 Br4 N12 O8 S8 -","4","1","WN6342","T. Ravishankar; K. Chinnakali; N. Arumugam; P. C. Srinivasan; Anwar Usman; Hoong-Kun Fun","2-(3-Bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-ylmethylsulfanyl)-6-methyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2005","61","4","o1184","o1186","10.1107/S1600536805009414","","","0.71073","MoKα","","0.092","0.0721","","","0.2029","0.2187","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205627","5.8037","0.0007","12.0508","0.0015","20.16","0.003","90","","90","","90","","1410","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-1-(2-Hydroxy-1-naphthylmethyl)pyrrolidinio-2-carboxylate","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","WW6352","Dong, Chuan-Ming; Chen, Li-Gong; Duan, Xue-Min; Shu, Xue-Gui; Zeng, Tao; Li, Yang","<i>N</i>-(2-Hydroxy-1-naphthylmethyl)-(<i>S</i>)-proline","Acta Crystallographica Section E","2005","61","4","o960","o961","10.1107/S1600536805006859","","","0.71073","MoKα","","0.0661","0.0387","","","0.0985","0.1131","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205628","19.508","0.002","10.731","0.001","25.92","0.004","90","","108.666","0.002","90","","5140.7","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","16α,17-Epoxy-11α-(p-tolylsulfonyloxy)pregn-4-ene-3,20-dione","17-acetyl-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro-1H-20-oxacyclopropa[16,17]cyclopenta[a]phenanthren-11-yl toluene-4-sulfonate","","- C28 H34 O6 S -","- C28 H34 O6 S -","- C224 H272 O48 S8 -","8","2","WW6358","Nie, Qiang; Wang, Jingkang; Wang, Shi; Zhang, Meijing","16α,17-Epoxy-11α-(<i>p</i>-tolylsulfonyloxy)pregn-4-ene-3,20-dione","Acta Crystallographica Section E","2005","61","4","o912","o913","10.1107/S1600536805006835","","","0.71073","MoKα","","0.0906","0.0463","","","0.0923","0.1044","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205629","7.9225","0.0011","8.0119","0.001","11.7565","0.0014","83.979","0.002","86.251","0.002","64.422","0.002","669.22","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,2-dihydrotanshinquinone","8,9-Dihydro-1,6-dimethylphenanthro[1,2-b]furan-10,11-dione","","- C18 H14 O3 -","- C18 H14 O3 -","- C36 H28 O6 -","2","1","WW6359","Qin, Jiang-Ke; Liao, Cheng-Zhu; Wang, Yong-Tao; Bu, Xian-Zhang; Huang, Zhi-Shu; Gu, Lian-Quan","8,9-Dihydro-1,6-dimethylphenanthro[1,2-<i>b</i>]furan-10,11-dione","Acta Crystallographica Section E","2005","61","4","o804","o805","10.1107/S1600536805005581","","","0.71073","MoKα","","0.0479","0.0402","","","0.117","0.1265","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205630","9.702","0.003","6.093","0.002","14.64","0.005","90","","100.914","0.001","90","","849.8","0.5","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Br O2 -","- C20 H23 Br O2 -","- C40 H46 Br2 O4 -","2","1","YA6235","Masataka Watanabe; Taisuke Matsumoto; Shuntaro Mataka; Thies Thiemann","17-Bromo-16-formyl-3-methoxyestra-1,3,5(10),16-tetraene","Acta Crystallographica Section E","2005","61","4","o974","o976","10.1107/S160053680500704X","","","0.7107","MoKα","","","0.023","","","","0.061","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205631","11.2952","0.0008","11.2952","0.0008","4.5325","0.0004","90","","90","","120","","500.79","0.07","100","","100","","","","","","","","","4","P 32","P 32","145","","2-Iodoaniline","","- C6 H6 I N -","- C6 H6 I N -","- C18 H18 I3 N3 -","3","1","YA6240","Andrew Parkin; Christopher K. Spanswick; Colin R. Pulham; Chick C. Wilson","2-Iodoaniline at 100 K","Acta Crystallographica Section E","2005","61","4","o1087","o1089","10.1107/S1600536805007038","","","0.71073","MoKα","","0.058","0.048","","0.124","0.119","0.124","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205632","10.4015","0.0016","23.653","0.004","32.204","0.005","90","","90","","90","","7923","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2α,3β,12β,20S-Trihydroxydammar-24-ene 20-O-β-D-glucopyranoside","","- C38.5 H72 O11.5 -","- C38.5 H72 O11.5 -","- C308 H576 O92 -","8","2","AC6165","Valentina Razmovski-Naumovski; Rujee K. Duke; Peter Turner; Colin C. Duke","(20<i>S</i>)-2α,3β,12β-Trihydroxydammar-24-ene 20-<i>O</i>-β-<small>D</small>-glucopyranoside (Gynosaponin TN1) as the 2.5-methanol solvate","Acta Crystallographica Section E","2005","61","5","o1239","o1241","10.1107/S1600536805009773","","","0.71073","MoKα","","0.0634","0.0549","","","0.1525","0.1583","","","","","","1.38","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2205633","8.572","0.0002","21.1088","0.0005","19.352","0.0006","90","","93.556","0.001","90","","3494.9","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H98 Cl6 N10 O4 -","- C66 H98 Cl6 N10 O4 -","- C132 H196 Cl12 N20 O8 -","2","0.5","AC6167","Light, Mark E.; Gale, Philip A.; Navakhun, Korakot","1,4-Phenylene-bis-(3,4-dichloro-5-phenylcarbamoyl-1<i>H</i>-pyrrole-2-carboxamide) bis(tetrabutylammonium chloride) acetonitrile disolvate","Acta Crystallographica Section E","2005","61","5","o1300","o1301","10.1107/S1600536805010688","","","0.71073","MoKα","","0.0978","0.0596","","","0.1312","0.1438","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205634","9.524","0.002","10.363","0.003","17.056","0.004","78.293","0.011","88.733","0.014","80.136","0.014","1623.9","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H94 Cl4 N8 O4 -","- C64 H94 Cl4 N8 O4 -","- C64 H94 Cl4 N8 O4 -","1","0.5","AC6168","Light, Mark E.; Gale, Philip A.; Navakhun, Korakot; Maynard-Smith, Michael","4-Aminomethyl-phenylamino-bis-(3,4-dichloro-5-phenylcarbamoyl-1<i>H</i>-pyrrole-2-carboxamide) tetrabutylammonium salt","Acta Crystallographica Section E","2005","61","5","o1302","o1303","10.1107/S160053680501069X","","","0.71073","MoKα","","0.2189","0.1014","","","0.1577","0.1921","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205635","11.9992","0.0004","7.8052","0.0002","16.6679","0.0003","90","","96.158","0.002","90","","1552.04","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2':6',2''-Terpyridinium nitrate","","- C15 H13 N5 O6 -","- C15 H13 N5 O6 -","- C60 H52 N20 O24 -","4","1","AT6002","Berthon, Claude; Grigoriev, Mikhail S.","2,2':6',2''-Terpyridinium dinitrate","Acta Crystallographica Section E","2005","61","5","o1216","o1217","10.1107/S1600536805009931","","","0.71073","MoKα","","0.0459","0.0404","","","0.0968","0.1009","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205636","4.5833","0.0015","18.843","0.006","11.112","0.004","90","","100.738","0.007","90","","942.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3,5-dinitrobenzoate","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","1","AT6003","Jin, Long-Fei; Xiao, Feng-Ping","Methyl 3,5-dinitrobenzoate","Acta Crystallographica Section E","2005","61","5","o1276","o1277","10.1107/S1600536805010317","","","0.71073","MoKα","","0.1147","0.0607","","","0.1387","0.1695","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205637","7.3142","0.0009","9.6929","0.0011","12.9986","0.0016","81.233","0.009","83.004","0.01","74.967","0.009","876.34","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(3,4-Dicyanophenoxy)-4-methoxybenzophenone","","- C22 H14 N2 O3 -","- C22 H14 N2 O3 -","- C44 H28 N4 O6 -","2","1","AT6004","Erdem, Talip Kaya; Atalay, Şehriman; Akdemir, Nesuhi; Aǧar, Erbil; Kantar, Cihan","4-(2-Benzoyl-5-methoxyphenoxy)benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2005","61","5","o1429","o1431","10.1107/S1600536805011918","","","0.71073","MoKα","","0.0719","0.0383","","","0.0755","0.0852","","","","","","0.97","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205638","10.083","0.004","12.576","0.004","13.849","0.005","90","","90","","90","","1756.1","1.1","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,8-Diphenyl-6-methyl-5H-pyrazolo[3,4-e]-1,2,4-triazolo[4,3-b]- 1,3,4-thiadiazepine","","- C19 H14 N6 S -","- C19 H14 N6 S -","- C76 H56 N24 S4 -","4","1","AT6005","Li-Min Yang; Zhao-Jie Liu","6-Methyl-3,8-diphenyl-5<i>H</i>-pyrazolo[3,4-<i>e</i>][1,2,4]triazolo[4,3-<i>b</i>][1,3,4]thiadiazepine","Acta Crystallographica Section E","2005","61","5","o1466","o1468","10.1107/S160053680501192X","","","0.71073","MoKα","","0.0591","0.0343","","","0.0716","0.0821","","","","","","1.034","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205639","14.9807","0.0006","15.5273","0.0006","9.4228","0.0004","90","","99.962","0.001","90","","2158.79","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N'-Di(9H-fluoren-9-ylidene)benzene-1,2-diamine","","- C32 H20 N2 -","- C32 H20 N2 -","- C128 H80 N8 -","4","0.5","BH6000","Glagovich, Neil M.; Reed, Elizabeth M.; Crundwell, Guy; Updegraff III, James B.; Zeller, Matthias; Hunter, Allen D.","<i>N</i>,<i>N</i>'-Bis(9<i>H</i>-fluoren-9-ylidene)benzene-1,2-diamine","Acta Crystallographica Section E","2005","61","5","o1251","o1253","10.1107/S1600536805010251","","","0.71073","MoKα","","0.0483","0.0466","","","0.1153","0.1166","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205640","13.5324","0.0015","7.2128","0.0008","12.988","0.0015","90","","109.501","0.002","90","","1195","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis(4,6-oxidopyrimidin-1-ium-κ^3^N)cobalt(II)","","- C8 H14 Co N4 O8 -","- C8 H14 Co N4 O8 -","- C32 H56 Co4 N16 O32 -","4","0.5","BR6186","Huang, You-Gui; Zhou, You-Fu; Yuan, Da-Qiang; Wu, Ben-Lei; Hong, Mao-Chun","Tetraaquabis(4,6-dioxidopyrimidin-1-ium-κ^3^<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2005","61","5","m832","m834","10.1107/S1600536805009785","","","0.71073","MoKα","","0.0355","0.0323","","","0.0787","0.0817","","","","","","1.172","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205641","5.0843","0.0009","29.44","0.005","10.823","0.002","90","","92.419","0.016","90","","1618.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Propyl 4-(3,4-dicyanophenoxy)benzoate","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","BT6626","Petek, Hande; Akdemir, Nesuhi; Kantar, Cihan; Ağar, Erbil; Şenel, İsmet","Propyl 4-(3,4-dicyanophenoxy)benzoate","Acta Crystallographica Section E","2005","61","5","o1233","o1234","10.1107/S1600536805010020","","","0.71073","MoKα","","0.1717","0.0612","","","0.1349","0.1533","","","","","","0.807","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205642","20.543","0.003","4.0082","0.0008","12.813","0.002","90","","95.497","0.006","90","","1050.2","0.3","133","2","133","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,5-Dibromo-2,6-dimethylnaphthalene","","- C12 H10 Br2 -","- C12 H10 Br2 -","- C48 H40 Br8 -","4","0.5","BT6633","Jones, Peter G.; Kuś, Piotr","1,5-Dibromo-2,6-dimethylnaphthalene","Acta Crystallographica Section E","2005","61","5","o1235","o1236","10.1107/S1600536805008652","","","0.71073","MoKα","","0.0352","0.0237","","","0.0503","0.0537","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205643","5.5138","0.0004","7.1866","0.0005","12.0459","0.0004","90","","90","","90","","477.32","0.05","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","para-aminopyridine","4-aminopyridine","","- C5 H6 N2 -","- C5 H6 N2 -","- C20 H24 N8 -","4","1","BT6634","Anderson, Frankie P.; Gallagher, John F.; Kenny, Peter T.M.; Lough, Alan J.","Redetermination of <i>para</i>-aminopyridine (fampridine, EL-970)at 150 K","Acta Crystallographica Section E","2005","61","5","o1350","o1353","10.1107/S1600536805010433","","","0.71073","MolybdenumKα","","0.0376","0.0314","","","0.082","0.0858","","","","","","1.101","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205644","10.6453","0.0018","10.7928","0.0019","11.458","0.002","90","","90","","90","","1316.4","0.4","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl[η^6^-(R)-N,N-dimethyl-1-phenylethylamine]chromium(0)","","- C13 H15 Cr N O3 -","- C13 H15 Cr N O3 -","- C52 H60 Cr4 N4 O12 -","4","1","BT6636","Braun, Wolfgang; Calmuschi, Beatrice; Salzer, Albrecht","Tricarbonyl[η^6^-(<i>R</i>)-<i>N,N</i>-dimethyl-1-phenylethylamine]chromium(0)","Acta Crystallographica Section E","2005","61","5","m828","m829","10.1107/S160053680501007X","","","0.71073","MoKα","","0.0228","0.0222","","","0.0603","0.0608","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205645","7.6461","0.0006","8.4018","0.0007","8.4258","0.0007","85.89","0.01","78.08","0.01","69.757","0.009","496.9","0.08","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","Bis[N-(2-aminoethyl)morpholine]copper(II) bis(tetrafluoroborate)","","- C12 H28 B2 Cu F8 N4 O2 -","- C12 H28 B2 Cu F8 N4 O2 -","- C12 H28 B2 Cu F8 N4 O2 -","1","0.5","BT6637","Sander, Ole; Tuczek, Felix; Näther, Christian","Bis[<i>N</i>-(2-aminoethyl)morpholine]copper(II) bis(tetrafluoroborate)","Acta Crystallographica Section E","2005","61","5","m824","m825","10.1107/S1600536805010056","","","0.71073","MoKα","","0.0363","0.0336","","","0.0899","0.0918","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205646","14.0994","0.0007","9.5999","0.0005","28.0432","0.0013","90","","102.249","0.004","90","","3709.3","0.3","291","0.5","291","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","O,O'-Diisopropyl (4-methyl-7-cumarinyloxy)phosphonothioate","","- C16 H21 O5 P S -","- C16 H21 O5 P S -","- C128 H168 O40 P8 S8 -","8","2","BT6638","Kruszynski, Rafal; Trzesowska, Agata; Majewski, Piotr; Skretowska, Sylwia; Marszalek, Hanna","<i>O,O</i>'-Diisopropyl (4-methyl-7-coumarinyloxy)phosphonothioate","Acta Crystallographica Section E","2005","61","5","o1248","o1250","10.1107/S1600536805010172","","","0.71073","MoKα","","0.0687","0.0552","","","0.1316","0.1405","","","","","","1.185","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205647","6.4058","0.0006","11.284","0.001","14.51","0.001","90","","93.686","0.002","90","","1046.66","0.15","293","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diμ-chloro-bis[bis(ethane-1,2-diamine-κ^2^N,N')manganese(II)] dichloride","","- C8 H32 Cl4 Mn2 N8 -","- C8 H32 Cl4 Mn2 N8 -","- C16 H64 Cl8 Mn4 N16 -","2","0.5","BT6639","Hao, Zheng-Ming; Zhang, Xian-Ming; Wu, Hai-Shun; Ng, Seik Weng","Di-μ-chloro-bis[bis(ethane-1,2-diamine-κ^2^<i>N,N</i>')manganese(II)] dichloride","Acta Crystallographica Section E","2005","61","5","m973","m974","10.1107/S1600536805010184","","","0.71073","MoKα","","0.035","0.032","","","0.082","0.086","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205648","9.4776","0.0009","10.7072","0.0012","10.0023","0.0011","90","","99.463","0.008","90","","1001.21","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,5-Pentylenebisphosphonic Acid","Pentane-1,5-bisphosphonic acid","","- C5 H14 O6 P2 -","- C5 H14 O6 P2 -","- C20 H56 O24 P8 -","4","1","BT6640","McLauchlan, Craig C.; Ziegler, Amanda J.; Herlinger, Albert W.","Pentane-1,5-bisphosphonic acid","Acta Crystallographica Section E","2005","61","5","o1359","o1361","10.1107/S1600536805011207","","","0.71073","MoKα","","0.0463","0.0356","","","0.0916","0.0956","","","","","","1.116","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205649","12.4125","0.0005","15.4864","0.0006","17.5542","0.0007","106.082","0.001","105.386","0.001","106.52","0.001","2883.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-oxoaquadichloromolybdenum(VI)]‒cucurbit[6]uril 10.5-hydrate","","- C36 H61 Cl4 Mo2 N24 O28.5 -","- C36 H60 Cl4 Mo2 N24 O28.5 -","- C72 H120 Cl8 Mo4 N48 O57 -","2","1","BT6642","Lin, Rong-Guang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","A hydrated co-crystal of bis(μ-oxo-κ^2^<i>O</i>:<i>O</i>)bis[aquaoxodichloromolybdenum(VI)] with cucurbit[6]uril","Acta Crystallographica Section E","2005","61","5","m885","m888","10.1107/S1600536805010858","","","0.71073","MoKα","","0.0493","0.0463","","","0.1369","0.1394","","","","","","1.03","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2205650","8.7638","0.0007","10.7287","0.001","12.2216","0.001","74.845","0.01","72.997","0.01","88.978","0.01","1058.54","0.18","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-aminoethylammonium)(ethylenediammonium)(di-μ-sulfido- κ^2^S:S)bis[disulfidotin(IV)]","","- C6 H28 N6 S6 Sn2 -","- C6 H28 N6 S6 Sn2 -","- C12 H56 N12 S12 Sn4 -","2","1","BT6643","Puls, Angela; Näther, Christian; Bensch, Wolfgang","Bis(2-aminoethylammonium) (ethylenediammonium) (di-μ-sulfido-κ^2^<i>S</i>:<i>S</i>)bis[dithiostannate(IV)]","Acta Crystallographica Section E","2005","61","5","m868","m870","10.1107/S1600536805010871","","","0.71073","MoKα","","0.0379","0.0291","","","0.0732","0.0765","","","","","","0.965","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205651","16.289","0.002","16.22","0.002","16.452","0.002","90","","94.981","0.002","90","","4330.3","0.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[tris(μ~2~-oxalato-κ^4^O,O':O''O''')bis(μ~2~-4,4'-bipyridyl- κ^2^N,N')bis(4,4'-bipyridyl-κN)trimanganese(II)]","","- C46 H32 Mn3 N8 O12 -","- C46 H32 Mn3 N8 O12 -","- C184 H128 Mn12 N32 O48 -","4","1","BT6644","Zhu, Li-Hong; Zeng, Ming-Hua; Ng, Seik Weng","Poly[bis(μ~2~-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>')bis(4,4'-bipyridyl-κ<i>N</i>)tris(μ~2~-oxalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>''<i>O</i>''')trimanganese(II)]<i></i>","Acta Crystallographica Section E","2005","61","5","m916","m918","10.1107/S1600536805011499","","","0.71073","MoKα","","0.039","0.031","","","0.087","0.094","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205652","10.029","0.001","10.476","0.001","13.2088","0.0013","90","","90","","90","","1387.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","S-Dianin's compound","(S)-4-(4-Hydroxyphenyl)-2,2,4-trimethylchroman","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","BT6647","Gareth O. Lloyd; Martin W. Bredenkamp","(<i>S</i>)-4-(4-Hydroxyphenyl)-2,2,4-trimethylchroman","Acta Crystallographica Section E","2005","61","5","o1512","o1514","10.1107/S1600536805012651","","","0.71073","MoKα","","0.0414","0.0384","","","0.0975","0.0997","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205653","32.208","0.0019","6.8884","0.0004","16.6204","0.001","90","","109.156","0.001","90","","3483.3","0.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,4-dihydro-6-methy-5-N-methy carbamoyl-4-phenyl-2(3H)-pyrimidinethione","","- C15 H21 N3 O2 S2 -","- C15 H21 N3 O2 S2 -","- C120 H168 N24 O16 S16 -","8","1","BT6648","B. Sridhar; K. Ravikumar","A carbamoyl-substituted dihydropyrimidine with dimethyl sulfoxide solvent","Acta Crystallographica Section E","2005","61","5","o1414","o1416","10.1107/S1600536805011773","","","0.71073","MoKα","","0.0595","0.0536","","","0.1568","0.1635","","","","","","1.046","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205654","6.6508","0.001","7.9576","0.0012","8.4012","0.0012","81.03","0.012","88.572","0.012","81.179","0.012","434","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","6-Bromo-8-Thio-1,4-Epoxybicyclo[4.3.0]non-2-ene","","- C8 H9 Br O S -","- C8 H9 Br O S -","- C16 H18 Br2 O2 S2 -","2","1","BT6650","Büyükgüngör, Orhan; Koşar, Başak; Demircan, Aydın; Turaç, Ersen","6-Bromo-8-thia-1,4-epoxybicyclo[4.3.0]non-2-ene","Acta Crystallographica Section E","2005","61","5","o1441","o1442","10.1107/S1600536805012122","","","0.71073","MoKα","","0.05","0.0394","","","0.0883","0.0929","","","","","","1.089","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205655","35.204","0.003","5.282","0.006","12.738","0.004","90","","97.503","0.015","90","","2348","3","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6-(Z,Z)-Bis[(3,4,5-trimethyoxyphenyl)methylene]piperazine-2,5-dione","","- C24 H26 N2 O8 -","- C24 H26 N2 O8 -","- C96 H104 N8 O32 -","4","0.5","BT6651","Wendy A. Loughlin; Raymond L. Marshall; Kathryn E. Fairfull-Smith (nee Elson); Peter C. Healy","(<i>Z</i>,<i>Z</i>)-3,6-Bis[(3,4,5-trimethoxyphenyl)methylene]piperazine-2,5-dione","Acta Crystallographica Section E","2005","61","5","o1443","o1445","10.1107/S1600536805012316","","","0.7107","MoKα","","0.1294","0.0517","","","0.1445","0.1887","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205656","9.578","0.003","7.3024","0.0017","25.656","0.005","90","","94.83","0.013","90","","1788.1","0.8","566","2","566","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(8-hydroxyquinolinium) squarate","","- C22 H16 N2 O6 -","- C22 H16 N2 O6 -","- C88 H64 N8 O24 -","4","1","BT6652","Tonko Kolev; Snezana Sinadinovic-Fiser; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","Bis(8-hydroxyquinolinium) squarate","Acta Crystallographica Section E","2005","61","5","o1469","o1471","10.1107/S1600536805012523","","","0.71073","MoKα","","0.1364","0.0602","","","0.1242","0.1523","","","","","","0.991","","","","has coordinates","198633","2020-10-21","18:00:00",""
"2205657","7.1729","0.0004","13.5386","0.0008","14.353","0.0008","90","","103.917","0.002","90","","1352.92","0.13","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pifithrin-β","2-p-tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole","","- C16 H16 N2 S -","- C16 H16 N2 S -","- C64 H64 N8 S4 -","4","1","BT6656","Clegg, William; Jamieson, Clare","Pifithrin-β","Acta Crystallographica Section E","2005","61","5","o1486","o1488","10.1107/S160053680501264X","","","0.71073","MoKα","","0.0426","0.0376","","","0.0993","0.1032","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205658","15.023","0.006","8.27","0.007","24.038","0.007","90","","96.03","0.03","90","","2970","3","150","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorobis(3,5-dimethylpyrazole)copper(II)","","- C10 H16 Cl2 Cu N4 -","- C10 H16 Cl2 Cu N4 -","- C80 H128 Cl16 Cu8 N32 -","8","1","BV6012","Zhao, Ning-Feng; Eichhorn, David M.","Dichlorobis(3,5-dimethylpyrazole)copper(II)","Acta Crystallographica Section E","2005","61","5","m822","m823","10.1107/S1600536805009621","","","0.71073","MoKα","","","0.0665","","","","0.2109","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2205659","29.398","0.003","9.839","0.001","13.59","0.001","90","","108.189","0.006","90","","3734.4","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","bis(L-histidinato)cobalt(III)‒chloride‒nitrate‒water (1/0.4/0.6/2.5)","","- C12 H21 Cl0.4 Co N6.6 O8.3 -","- C12 H17.5 Cl0.4 Co N6.6 O8.3 -","- C96 H140 Cl3.2 Co8 N52.8 O66.4 -","8","2","BV6016","Leverett J. Zompa","<i>trans</i>-Imidazole isomer of the bis(<small>L</small>-histidinato)cobalt(III) complex","Acta Crystallographica Section E","2005","61","5","m849","m851","10.1107/S1600536805010123","","","0.71073","MoKα","","0.0444","0.0383","","","0.0979","0.1026","","","","","","1.081","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205660","28.831","0.003","9.3063","0.0012","8.6456","0.0012","90","","100.642","0.01","90","","2279.8","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tripotassium ethanoate-2,2-diylbis(diazeniumdiolate) 2.5-hydrate","","- C2 H6 K3 N4 O8.5 -","- C2 H6 K3 N4 O8.5 -","- C16 H48 K24 N32 O68 -","8","1","BV6018","Arulsamy, Navamoney; Bohle, D. Scott","Tripotassium carboxylatomethylenebis(diazeniumdiolate) 2.5-hydrate","Acta Crystallographica Section E","2005","61","5","m930","m932","10.1107/S1600536805010834","","","0.71073","MoKα","","0.0438","0.0371","","","0.0939","0.0983","","","","","","1.038","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205661","19.386","0.006","5.584","0.0015","17.928","0.005","90","","90","","90","","1940.7","1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","9-oxo-10-diphenylphosphinoylanthracene","","- C26 H19 O2 P -","- C26 H19 O2 P -","- C104 H76 O8 P4 -","4","1","CF6410","Qing-Xiang Liu; Hai-bin Song","9-Oxo-10-diphenylphosphinoylanthracene","Acta Crystallographica Section E","2005","61","5","o1489","o1490","10.1107/S1600536805006598","","","0.71073","MoKα","","0.0725","0.0402","","","0.074","0.0828","","","","","","0.948","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205662","6.1521","0.0005","7.5495","0.0007","9.3055","0.0008","90","","98.501","0.005","90","","427.45","0.06","190","","190","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-C-Methyl-D-allono-1,4-lactone","","- C7 H12 O6 -","- C7 H12 O6 -","- C14 H24 O12 -","2","1","CF6418","Christopher C. Harding; David J. Watkin; Nicola K. Sawyer; Sarah F. Jenkinson; George W. J. Fleet","2-<i>C</i>-Methyl-<small>D</small>-allono-1,4-lactone","Acta Crystallographica Section E","2005","61","5","o1472","o1474","10.1107/S1600536805012328","","","0.71073","MoKα","","0.0418","0.037","","0.0919","0.0886","0.0919","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205663","10.3116","0.0003","5.9084","0.0002","17.2641","0.0006","90","","94.2891","0.0013","90","","1048.87","0.06","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Amino-1-deoxy-N,N-dibenzyl-α-D-tagatopyranose","","- C21 H29 N O6 -","- C21 H29 N O6 -","- C42 H58 N2 O12 -","2","1","CF6419","Christopher C. Harding; Andrew R. Cowley; David J. Watkin; Francesco Punzo; David Hotchkiss; George W. J. Fleet","1-Amino-<i>N</i>,<i>N</i>-dibenzyl-1-deoxy-α-<small>D</small>-tagatopyranose methanol solvate","Acta Crystallographica Section E","2005","61","5","o1475","o1477","10.1107/S160053680501233X","","","0.71073","MoKα","","0.0588","0.041","","0.0947","0.0862","0.0947","","","","","","0.8979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205664","5.802","0.0003","13.6911","0.0008","21.4006","0.0014","90","","92.721","0.004","90","","1698.06","0.17","298","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Phthalimidobutoxy Phthalonitrile","4-[4-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)butoxy]phthalonitrile","","- C20 H15 N3 O3 -","- C20 H15 N3 O3 -","- C80 H60 N12 O12 -","4","1","CI6547","Zhu, Xiao-Li; Lin, Mei-Jin; Wang, Jun-Dong; Chen, Nai-Sheng; Huang, Jin-Ling","4-[4-(1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)butoxy]phthalonitrile","Acta Crystallographica Section E","2005","61","5","o1214","o1215","10.1107/S1600536805009797","","","0.71073","MoKα","","0.0493","0.0411","","","0.102","0.1076","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205665","5.883","0.002","8.022","0.003","12.387","0.005","90","","90.185","0.015","90","","584.6","0.4","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-diphenylethylenediamine","","- C14 H16 N2 -","- C14 H16 N2 -","- C28 H32 N4 -","2","0.5","CI6553","Lennartson, Anders; Kokoli, Theonitsa; Håkansson, Mikael","<i>N,N</i>'-Diphenylethylenediamine, an N—H···π- and C—H···π-bonded network","Acta Crystallographica Section E","2005","61","5","o1245","o1247","10.1107/S1600536805010135","","","0.71073","MoKα","","0.0727","0.0514","","","0.1452","0.1571","","","","","","0.995","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205666","9.9319","0.0007","10.3666","0.0008","10.5606","0.0008","109.71","0.01","94.138","0.001","98.458","0.001","1003.79","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","4(4'-Hydroxy-3'-methoxystyryl)-1-methylpyridinium 4-bromobenzenesulfonate","4(4'-Hydroxy-3'-methoxystyryl)-1-methylpyridinium 4-bromobenzenesulfonate","","- C21 H20 Br N O5 S -","- C21 H20 Br N O5 S -","- C42 H40 Br2 N2 O10 S2 -","2","1","CI6556","Boonwasana Jindawong; Suchada Chantrapromma; Hoong-Kun Fun; Xiao-Lan Yu; Chatchanok Karalai","4(4'-Hydroxy-3'-methoxystyryl)-1-methylpyridinium 4-bromobenzenesulfonate","Acta Crystallographica Section E","2005","61","5","o1340","o1342","10.1107/S1600536805011086","","","0.71073","MoKα","","0.0404","0.0346","","","0.0886","0.0919","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205667","9.8299","0.0011","10.1415","0.0011","19.486","0.002","83.183","0.002","89.886","0.002","76.646","0.002","1876","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[(triglycol ditolylene)imidiazolium]-2,6-dimethylpyridine dihexaflourphosphate","","- C33 H37 F12 N5 O4 P2 -","- C33 H37 F12 N5 O4 P2 -","- C66 H74 F24 N10 O8 P4 -","2","1","CI6557","Qin, Da-Bin; Song, Hai-Bin; Xu, Feng-Bo; Li, Qing-Shang; Zhang, Zheng-Zhi","[(Triglycol ditolylene)imidazolium]-2,6-dimethylpyridine bis(hexafluorophosphate)","Acta Crystallographica Section E","2005","61","5","o1503","o1504","10.1107/S1600536805010627","","","0.71073","MoKα","","0.0799","0.0559","","","0.171","0.1875","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205668","10.4682","0.0008","17.7551","0.0013","14.1264","0.001","90","","106.058","0.001","90","","2523.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Z)-Ethyl 3-(4-chlorophenyl)-2-[(triphenylphosphoranylidene)amino]prop-2- enoate","","- C29 H25 Cl N O2 P -","- C29 H25 Cl N O2 P -","- C116 H100 Cl4 N4 O8 P4 -","4","1","CI6558","Xiao-Bo Huang; Jin-Chang Ding; Miao-Chang Liu; Xi-Chang Zhang; Mao-Lin Hu","(<i>Z</i>)-Ethyl 3-(4-chlorophenyl)-2-[(triphenylphosphoranylidene)amino]prop-2-enoate","Acta Crystallographica Section E","2005","61","5","o1261","o1262","10.1107/S1600536805010391","","","0.71073","MoKα","","0.1096","0.0778","","","0.1394","0.1525","","","","","","1.138","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205669","9.886","0.002","5.7887","0.0011","20.646","0.004","90","","96.129","0.004","90","","1174.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Isopropyl 3, 5-dinitrobenzoate","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C40 H40 N8 O24 -","4","1","CI6559","Long-Fei Jin; Feng-Ping Xiao","Isopropyl 3,5-dinitrobenzoate","Acta Crystallographica Section E","2005","61","5","o1269","o1270","10.1107/S1600536805010482","","","0.71073","MoKα","","0.1354","0.0562","","","0.1238","0.155","","","","","","0.974","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205670","9.254","0.002","6.864","0.002","13.174","0.003","90","","102.78","0.03","90","","816.1","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{[2-(2-Hydroxyethylamino)ethylimino]methyl}naphthalen-2-ol perchlorate","","- C15 H19 Cl N2 O6 -","- C15 H19 Cl N2 O6 -","- C30 H38 Cl2 N4 O12 -","2","1","CI6560","Zhu, Hai-Liang; You, Zhong-Lu","A perchlorate salt of 1-{[2-(2-hydroxyethylamino)ethylimino]methyl}naphthalen-2-ol","Acta Crystallographica Section E","2005","61","5","o1271","o1272","10.1107/S1600536805010585","","","0.71073","MoKα","","0.0694","0.0531","","","0.1339","0.1452","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205671","11.444","0.002","7.954","0.0016","19.356","0.004","90","","102.83","0.03","90","","1717.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-{[3-(2-methyl)phenyl-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","CI6561","Wang, Hai-Bo; Pu, Yue-Qing; Chen, Jia-Hui; Wang, Jin-Tang","Methyl 2-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate","Acta Crystallographica Section E","2005","61","5","o1390","o1392","10.1107/S1600536805011505","","","0.71073","MoKα","","0.114","0.0549","","","0.1402","0.168","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205672","8.372","0.003","10.449","0.003","10.781","0.003","96.099","0.005","110.379","0.005","99.826","0.005","857","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{[N-(4-hydroxysalicylidene)-N^'^,N^'^-diethylethyldiamine-κ^2^N,O] copper(II)oxalate} dihydrate","","- C30 H44 Cu2 N4 O14 -","- C30 H44 Cu2 N4 O14 -","- C30 H44 Cu2 N4 O14 -","1","0.5","CI6562","Guang-Jun Xu; Shi-Ping Yan; Dai-Zheng Liao; Zong-Hui Jiang; Peng Cheng","A new Schiff base copper (II) complex: bis[<i>N</i>-(4-hydroxysalicylidene)-<i>N</i>',<i>N</i>'-diethylethylenediamine-κ^2^<i>N</i>,<i>O</i>]bis[(oxalato-κ^2^<i>O</i>,<i>O</i>')copper(II)] dihydrate","Acta Crystallographica Section E","2005","61","5","m933","m935","10.1107/S1600536805011700","","","0.71073","MoKα","","0.0443","0.0313","","","0.076","0.0812","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205673","9.964","0.002","7.284","0.0016","11.462","0.003","90","","110.917","0.003","90","","777.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis[2-(dimethylamino)ethyl]dithiooxamide","","- C10 H22 N4 S2 -","- C10 H22 N4 S2 -","- C20 H44 N8 S4 -","2","0.5","CI6564","Cui, Jian-Zhong; Zhang, Dan; Zhang, Hong; Pan, Shuo-Wen; Cheng, Peng; Liao, Dai-Zheng; Wang, Geng-Lin","<i>N</i>,<i>N</i>'-Bis[2-(dimethylamino)ethyl]dithiooxamide","Acta Crystallographica Section E","2005","61","5","o1496","o1497","10.1107/S1600536805012225","","","0.71073","MoKα","","0.0793","0.0378","","","0.1011","0.1157","","","","","","0.991","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2205674","16.507","0.006","8.361","0.003","18.907","0.007","90","","100.076","0.006","90","","2569.2","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(3H-inden-1-ylmethyl)-2,2'-bis(methoxymethoxy)-1,1'-binaphthalenyl","","- C34 H30 O4 -","- C34 H30 O4 -","- C136 H120 O16 -","4","1","CI6565","Jian Xiao; Yong-Na Lu; Guo-Cang Wang; Qun-sheng Guo; Bin Liu; Hai-Bin Song; Jin-Shan Li","3-(3<i>H</i>-Inden-1-ylmethyl)-2,2'-bis(methoxymethoxy)-1,1'-binaphthalenyl","Acta Crystallographica Section E","2005","61","5","o1501","o1502","10.1107/S1600536805012079","","","0.71073","MoKα","","0.1085","0.0576","","","0.118","0.1379","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205675","11.545","0.002","20.694","0.003","8.597","0.0015","90","","110.147","0.004","90","","1928.3","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-chlorophenyl)-3-methyl-1-phenyl-6-(2-pyridyl)pyrazolo[3,4-b]pyridine","","- C24 H17 Cl N4 -","- C24 H17 Cl N4 -","- C96 H68 Cl4 N16 -","4","1","CI6566","Tu, Shu-Jiang; Zhu, Song-Lei; Zou, Xiang","4-(2-Chlorophenyl)-3-methyl-1-phenyl-6-(2-pyridyl)pyrazolo[3,4-<i>b</i>]pyridine","Acta Crystallographica Section E","2005","61","5","o1398","o1399","10.1107/S1600536805011657","","","0.7107","MoKα","","0.0898","0.0666","","","0.1291","0.1396","","","","","","1.156","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205676","10.9746","0.0004","21.409","0.0011","17.0115","0.0006","90","","98.468","0.003","90","","3953.4","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N6 Ni O12 -","- C40 H40 N6 Ni O12 -","- C160 H160 N24 Ni4 O48 -","4","1","CI6567","Uçar, İbrahim; Yeşilel, Okan Zafer; Bulut, Ahmet; Ölmez, Halis; Büyükgüngör, Orhan","Tris(1,10-phenanthroline)nickel(II) squarate octahydrate","Acta Crystallographica Section E","2005","61","5","m947","m949","10.1107/S1600536805012055","","","0.71073","MoKα","","0.0751","0.0357","","","0.0751","0.0831","","","","","","0.843","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205677","11.0324","0.0002","5.62","0.0002","16.4317","0.0003","90","","105.789","0.002","90","","980.36","0.04","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-Leucinium nitrate","","","- C6 H14 N2 O5 -","- C6 H14 N2 O5 -","- C24 H56 N8 O20 -","4","1","CI6568","Berrah, Fadila; Benali-Cherif, Nourredine; Lamraoui, Hanane","<small>DL</small>-Leucinium nitrate","Acta Crystallographica Section E","2005","61","5","o1517","o1519","10.1107/S1600536805012110","","","0.71073","MoKα","","0.1166","0.0414","","","0.0785","0.0927","","","","","","0.836","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205678","7.3556","0.0004","10.1773","0.0005","10.3602","0.0005","79.123","0.002","74.383","0.002","70.125","0.002","698.39","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","trans-Co(en)2(NO2)2 periodate","trans-bis(ethylenediamine-κ^2^N,N')dinitrocobalt(III) periodate","","- C4 H16 Co I N6 O8 -","- C4 H16 Co I N6 O8 -","- C8 H32 Co2 I2 N12 O16 -","2","1","CI6570","Sharma, Raj Pal; Sharma, Rajni; Bala, Ritu; Bond, Andrew D.","Second-sphere coordination in anion binding: <i>trans</i>-bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')dinitrocobalt(III) periodate","Acta Crystallographica Section E","2005","61","5","m997","m1000","10.1107/S1600536805012274","","","0.71073","MoKα","","0.0163","0.0153","","","0.0408","0.0411","","","","","","1.108","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205679","6.7861","0.0001","8.5143","0.0001","19.0442","0.0003","88.623","0.0009","81.6364","0.0008","84.8577","0.0006","1084.2","0.03","150","","150","","","","","","","","","6","P -1","-P 1","2","","Poly[N,N,N',N'-tetramethylpropane-1,3-diaminium [aquatetraoxotri-μ~3~-sulfato-diuranate(VI)]]","","- C7 H22 N2 O17 S3 U2 -","- C7 H22 N2 O17 S3 U2 -","- C14 H44 N4 O34 S6 U4 -","2","1","CV6472","Norquist, Alexander J.; Doran, Michael B.; O'Hare, Dermot","(C~7~H~20~N~2~)[(UO~2~)~2~(SO~4~)~3~(H~2~O)]: an organically templated uranium sulfate with a novel layer topology","Acta Crystallographica Section E","2005","61","5","m807","m810","10.1107/S1600536805009670","","","0.71073","MoKα","","0.0406","0.0371","","0.1002","0.0965","0.0965","","","","","","0.9085","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205680","7.3983","0.0002","7.6333","0.0002","12.5946","0.0005","95.1761","0.0012","94.6412","0.0013","96.578","0.002","700.7","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","Bis(propane-1,2-diaminium) tetraaquadi-μ~2~-sulfato-disulfatotetraoxodiuranate(VI) dihydrate","","- C6 H36 N4 O26 S4 U2 -","- C6 H36 N4 O26 S4 U2 -","- C6 H36 N4 O26 S4 U2 -","1","0.5","CV6473","Doran, Michael B.; Norquist, Alexander J.; O'Hare, Dermot","(C~3~H~12~N~2~)~2~[UO~2~(H~2~O)~2~(SO~4~)~2~]~2~·2H~2~O: an organically templated uranium sulfate with a novel dimer type","Acta Crystallographica Section E","2005","61","5","m881","m884","10.1107/S1600536805009682","","","0.71073","MoKα","","0.0268","0.0225","","0.0595","0.0555","0.0555","","","","","","0.828","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205681","6.4308","0.0011","9.8948","0.0017","15.356","0.003","90","","99.179","0.004","90","","964.6","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(3,4- methylenedioxyphenyl)methyleneimino]-1H-pyrazole-3-carbonitrile","","- C19 H9 Cl2 F3 N4 O2 -","- C19 H9 Cl2 F3 N4 O2 -","- C38 H18 Cl4 F6 N8 O4 -","2","1","CV6475","Zhong, Ping; Zhang, Xiao-Hong; Yang, Zhi-Ping; Xiao, Hong-Ping; Hu, Mao-Lin","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(3,4-methylenedioxyphenyl)methyleneimino]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","5","o1448","o1449","10.1107/S1600536805012262","","","0.71073","MoKα","","0.0868","0.0646","","","0.1305","0.1535","","","","","","1.068","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205682","6.8815","0.0011","16.468","0.003","9.7901","0.0016","90","","95.568","0.002","90","","1104.2","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate","","- C11 H10 N4 O2 -","- C11 H10 N4 O2 -","- C44 H40 N16 O8 -","4","1","CV6476","Li-Rong Wen; Shu-wen Wang; Ming Li; Wei-si Guo","Ethyl 3-cyano-7-methylpyrazolo[1,5-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2005","61","5","o1459","o1460","10.1107/S1600536805012353","","","0.71073","MoKα","","0.0443","0.0359","","","0.0992","0.1052","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205683","9.8963","0.0016","9.3319","0.0012","13.4112","0.0018","90","","95.234","0.012","90","","1233.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 O3 P S4 -","- C7 H11 O3 P S4 -","- C28 H44 O12 P4 S16 -","4","1","CV6478","Chen, Hong-Yu; Yu, Wen-Tao; Xue, Gang; Fang, Qi","Dimethyl (5,6-dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dithiin-2-yl)phosphonate","Acta Crystallographica Section E","2005","61","5","o1400","o1402","10.1107/S1600536805011542","","","0.71073","MoKα","","0.1037","0.0826","","","0.2034","0.2222","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205684","10.729","0.003","12.116","0.003","19.552","0.006","89.721","0.005","85.328","0.006","66.677","0.004","2325.1","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","{1,8-Bis[2-(1-benzyl-1H-imidazol-3-ylmethyl-κC^2^)phenoxy]-3,6-dioxaoctane- κ^2^O^3^,O^6^}mercury(II) bis(hexaflourophosphate) nitromethane solvate","","- C41 H45 F12 Hg N5 O6 P2 -","- C41 H45 F12 Hg N5 O6 P2 -","- C82 H90 F24 Hg2 N10 O12 P4 -","2","1","CV6480","Da-Bin Qin; Hai-Bin Song; Feng-Bo Xu; Qing-Shang Li; Zheng-Zhi Zhang","{1,8-Bis[2-(1-benzyl-1<i>H</i>-imidazol-3-ylmethyl-κ<i>C</i>^2^)phenoxy]-3,6-dioxaoctane-κ^2^<i>O</i>^3^,<i>O</i>^6^}mercury(II) bis(hexaflourophosphate) nitromethane solvate","Acta Crystallographica Section E","2005","61","5","m826","m827","10.1107/S1600536805009943","","","0.71073","MoKα","","0.0753","0.0492","","","0.101","0.1123","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205685","17.027","0.006","6.828","0.003","10.126","0.004","90","","111.844","0.004","90","","1092.7","0.8","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Tetra-aqua-bis(isothiocyanate)-manganese(II) bis(2-methylpyrazine-1,4-dioxide)","","- C12 H20 Mn N6 O8 S2 -","- C12 H20 Mn N6 O8 S2 -","- C24 H40 Mn2 N12 O16 S4 -","2","0.25","CV6483","Wen, Xu; Shi, Jing Min; Xia, Zhang","Tetraaquabis(isothiocyanato)manganese(II) bis(2-methylpyrazine-1,4-dioxide)","Acta Crystallographica Section E","2005","61","5","m854","m855","10.1107/S1600536805010664","","","0.71073","MoKα","","0.0373","0.035","","","0.0954","0.0974","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205686","7.4937","0.0019","11.764","0.003","9.778","0.002","90","","102.784","0.004","90","","840.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-nitrobenzoate","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","CV6484","Jin, Long-Fei; Xiao, Feng-Ping","Methyl 3-nitrobenzoate","Acta Crystallographica, Section E","2005","61","5","o1238","o1239","10.1107/S1600536805009955","","","0.71073","MoKα","","0.0622","0.046","","","0.1195","0.1322","","","","","","1.039","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205687","12.429","0.002","13.359","0.002","7.6176","0.0013","90","","103.414","0.002","90","","1230.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,4-Difluorophenyl)-1-[3-(2-fluorophenyl)oxiran-2-yl]methanone","","- C15 H9 F3 O2 -","- C15 H9 F3 O2 -","- C60 H36 F12 O8 -","4","1","CV6485","Liang-Zhong Xu; Shuang-Hua Yang; Zhi-Guo Jiang; Guan-Ping Yu; Guo-Dong Si","1-(2,4-Difluorophenyl)-1-[3-(2-fluorophenyl)oxiran-2-yl]methanone","Acta Crystallographica Section E","2005","61","5","o1226","o1227","10.1107/S1600536805009967","","","0.71073","MoKα","","0.079","0.0434","","","0.1156","0.1304","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205688","10.0686","0.0018","10.3118","0.0019","10.392","0.0019","87.47","0.003","85.492","0.002","78.284","0.002","1052.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(3,5-bis(phenylamino)-1,2-dithiolan-4-yl)(2,5-dichlorophenyl)methanone","","- C22 H14 Cl2 N2 O S2 -","- C22 H14 Cl2 N2 O S2 -","- C44 H28 Cl4 N4 O2 S4 -","2","1","CV6489","Xu, Liang-Zhong; Yu, Guan-Ping; Huang, Yong-Wei; Zhou, Kai; Zhu, Qi","(3,5-Bis(phenylamino)-1,2-dithiolan-4-yl)(2,5-dichlorophenyl)methanone","Acta Crystallographica Section E","2005","61","5","o1321","o1322","10.1107/S1600536805010780","","","0.71073","MoKα","","0.0526","0.0342","","","0.0862","0.0915","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205689","11.915","0.003","12.05","0.004","13.544","0.002","105.67","0.02","99.141","0.01","93.4","0.02","1837.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H54 N4 -","- C42 H54 N4 -","- C84 H108 N8 -","2","1","CV6490","Bolte, Michael","4,4'-Bis(di-<i>n</i>-butylaminostyryl)-2,2'-bipyridine: a space group revision","Acta Crystallographica Section E","2005","61","5","o1364","o1366","10.1107/S1600536805011414","","","0.71069","MoKα","","0.2045","0.0795","","","0.2159","0.2702","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205690","17.3586","0.0019","9.8854","0.0011","26.324","0.003","90","","90","","90","","4517.1","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[μ-1,2-di-4-pyridylethylene-κ^2^N,N'-[aqua(2-sulfonatobenzoato- κ^2^O,O')copper(II)]] N,N-dimethylformamide]","","- C22 H23 Cu N3 O7 S -","- C22 H23 Cu N3 O7 S -","- C176 H184 Cu8 N24 O56 S8 -","8","1","CV6491","Hong-Ping Xiao; Qian Shi; Ya-Qian Cheng","<i>catena</i>-Poly[[μ-1,2-di-4-pyridylethylene-κ^2^<i>N</i>,<i>N</i>'-[aqua(2-sulfonatobenzoato-κ^2^<i>O</i>,<i>O</i>')copper(II)]] <i>N</i>,<i>N</i>-dimethylformamide]<i></i>","Acta Crystallographica Section E","2005","61","5","m907","m909","10.1107/S1600536805011475","","","0.71073","MoKα","","0.1033","0.0936","","","0.1658","0.1698","","","","","","1.417","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205691","10.5529","0.0008","11.9861","0.0009","11.9789","0.0009","90","","108.662","0.001","90","","1435.52","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","S-(4-methoxyphenyl) 3-methylsulfonyl-2-oxoimidazolidine-1-carbothioate","","- C12 H14 N2 O5 S2 -","- C12 H14 N2 O5 S2 -","- C48 H56 N8 O20 S8 -","4","1","CV6495","Wen Feng; Xue-ping Wu; Wei-Ke Su","<i>S</i>-(4-Methoxyphenyl) 3-methylsulfonyl-2-oxoimidazolidine-1-carbothioate","Acta Crystallographica Section E","2005","61","5","o1507","o1508","10.1107/S1600536805012560","","","0.71073","MoKα","","0.0584","0.0524","","","0.1153","0.1188","","","","","","1.176","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205692","10.797","0.002","11.571","0.002","12.0982","0.0016","90","","123.576","0.011","90","","1259.3","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-acetyl-4-methyl-2-(o-toluidinyl)-1,3-thiazole","","- C13 H14 N2 O S -","- C13 H14 N2 O S -","- C52 H56 N8 O4 S4 -","4","1","CV6497","Yamin, Bohari M.; Kasim. N. Azilah; Akhiar, Ezuanita","5-Acetyl-4-methyl-2-(<i>o</i>-toluidinyl)-1,3-thiazole","Acta Crystallographica Section E","2005","61","5","o1478","o1479","10.1107/S160053680501250X","","","0.71073","MoKα","","0.049","0.044","","","0.118","0.122","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205693","10.898","0.002","21.521","0.005","6.623","0.002","90","","90","","90","","1553.3","0.7","298","2","298","2","","","","","","","","4","C m c e","-C 2ac 2","64","","tripotassium triiron(III) tetraarsenate","","- As4 Fe3 K3 O16 -","- As4 Fe3 K3 O16 -","- As16 Fe12 K12 O64 -","4","0.25","DN6202","Ouerfelli, Najoua; Zid, Mohamed Faouzi; Jouini, Tahar","Composé à charpente bidimensionnelle K~3~Fe~3~(AsO~4~)~4~","Acta Crystallographica, Section E","2005","61","5","i67","i69","10.1107/S1600536805008998","","","0.71073","MoKα","","0.0564","0.04","","","0.0945","0.1022","","","","","","1.076","","","","has coordinates","282068","2023-03-26","10:12:38",""
"2205694","12.09","0.003","13.403","0.003","8.157","0.003","90","","95.79","0.03","90","","1315","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O5 S -","- C14 H11 N O5 S -","- C56 H44 N4 O20 S4 -","4","1","DN6205","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Lis, Tadeusz","1-[(2-Naphthylsulfonyl)oxy]pyrrolidine-2,5-dione","Acta Crystallographica Section E","2005","61","5","o1326","o1328","10.1107/S1600536805010469","","","0.71073","MoKα","","0.0704","0.0455","","","0.1212","0.1333","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205695","8.7112","0.0015","9.8967","0.0017","11.1551","0.0019","73.323","0.002","88.603","0.002","66.981","0.002","843.7","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Fluorophenyl)-2-oxo-1-(1<i>H</i>-1,2,4-triazol-1-yl)ethyl piperidine-1-carbodithiolate","","- C16 H17 F N4 O S2 -","- C16 H17 F N4 O S2 -","- C32 H34 F2 N8 O2 S4 -","2","1","DN6208","Liang-Zhong Xu; Kai Li; Chong-Yi Zhu; Guo-Dong Si; Guan-Ping Yu","2-(4-Fluorophenyl)-2-oxo-1-(1<i>H</i>-1,2,4-triazol-1-yl)ethyl piperidine-1-carbodithiolate","Acta Crystallographica Section E","2005","61","5","o1306","o1307","10.1107/S1600536805010561","","","0.71073","MoKα","","0.0492","0.0337","","","0.0813","0.0859","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205696","8.2045","0.0009","8.9704","0.001","9.6826","0.001","93.026","0.002","109.337","0.002","109.787","0.002","621.71","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","3-hydroxykojic acid","3,5-dihydroxy-2-hydroxymethyl-4H-pyran-4-one","","- C6 H6 O5 -","- C6 H6 O5 -","- C24 H24 O20 -","4","2","DN6212","Yao, Guang-Min; Wang, Yu-Bo; Wang, Li-Quan; Qin, Guo-Wei","3,5-Dihydroxy-2-hydroxymethyl-4<i>H</i>-pyran-4-one","Acta Crystallographica Section E","2005","61","5","o1403","o1405","10.1107/S1600536805011633","","","0.71073","MoKα","","0.0672","0.0609","","","0.1745","0.1818","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205697","8.159","0.007","8.712","0.007","10.531","0.009","82.385","0.013","77.494","0.013","80.064","0.014","716.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Fe N10 O4 S2 -","- C26 H20 Fe N10 O4 S2 -","- C26 H20 Fe N10 O4 S2 -","1","0.5","DN6213","Xiao-Jun Zhao; Jian-Hua Guo; Miao Du","A three-dimensional hydrogen-bonded network of diaquabis(2,5-di-3-pyridyl-1,3,4-oxadiazole)dithiocyanatoiron(II)","Acta Crystallographica Section E","2005","61","5","m913","m915","10.1107/S1600536805011268","","","0.71073","MoKα","","0.0651","0.0407","","","0.0844","0.0932","","","","","","1.023","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205698","10.4874","0.001","12.1216","0.0014","16.3091","0.0016","90","","90","","90","","2073.3","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(2-furyl)-3-phenyl-2-propen-1-one","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","1","DN6214","Ocak Ískeleli, Nazan; Işık, Şamil; Özdemir, Zuhal; Bilgin, Altan","1-(2-Furyl)-3-phenyl-2-propen-1-one","Acta Crystallographica Section E","2005","61","5","o1278","o1279","10.1107/S1600536805010615","","","0.71073","MoKα","","0.108","0.0402","","","0.0658","0.0793","","","","","","0.843","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205699","12.6686","0.001","8.9057","0.0007","13.44","0.0011","90","","91.737","0.001","90","","1515.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4,5,6,7-tetrachloro-1,3-dioxoisoindolin-2-yl)benzaldehyde","","- C15 H5 Cl4 N O3 -","- C15 H5 Cl4 N O3 -","- C60 H20 Cl16 N4 O12 -","4","1","DN6215","Liu, Xin-Gang; Feng, Ya-Qing; Wang, Wei; Liang, Zu-Pei; Yang, Guang","4-(4,5,6,7-Tetrachloro-1,3-dioxoisoindolin-2-yl)benzaldehyde","Acta Crystallographica Section E","2005","61","5","o1316","o1317","10.1107/S1600536805010822","","","0.71073","MoKα","","0.0382","0.0301","","","","0.0852","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205700","10.2204","0.0011","12.4047","0.0013","13.7842","0.0015","106.505","0.002","94.417","0.002","110.455","0.002","1539.4","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[Aquabis(1,10-phenanthroline-κ^2^N,N')(2-sulfobenzoato-κO)manganese(II)] trihydrate","","- C31 H28 Mn N4 O9 S -","- C31 H28 Mn N4 O9 S -","- C62 H56 Mn2 N8 O18 S2 -","2","1","DN6217","Hong-Ping Xiao","Aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-sulfobenzoato-κ<i>O</i>)manganese(II) trihydrate","Acta Crystallographica Section E","2005","61","5","m942","m944","10.1107/S1600536805011906","","","0.71073","MoKα","","0.101","0.0732","","","0.1419","0.1539","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205701","7.8089","0.0004","8.8904","0.0005","14.7466","0.0012","90","","96.143","0.007","90","","1017.89","0.11","122","1","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(1-naphtyl)propionic acid","","- C13 H12 O2 -","- C13 H12 O2 -","- C52 H48 O8 -","4","1","ER6003","Riis, Erik; Larsen, Sine","2-(1-Naphthyl)propionic acid","Acta Crystallographica Section E","2005","61","5","o1396","o1397","10.1107/S1600536805004125","","","0.71073","MoKα","","0.0707","0.0549","","","0.1463","0.1606","","","","","","1.053","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205702","9.608","0.0019","22.856","0.004","10.2908","0.0017","90","","98.353","0.016","90","","2235.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","ER6008","Våbenø, Jon; Ingebrigtsen, Truls; Lejon, Tore; Luthman, Kristina; Hansen, Lars Kr.","Benzyl-5-[<i>N</i>-(<i>tert</i>-butoxycarbonyl)amino]-4-oxo-6-phenylhexanoate","Acta Crystallographica Section E","2005","61","5","o1331","o1332","10.1107/S1600536805010895","","","0.71069","MoKα","","0.1193","0.0354","","","0.0816","0.0987","","","","","","0.912","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205703","9.0795","0.0018","10.134","0.002","12.624","0.003","104.84","0.03","91.11","0.03","92.08","0.03","1121.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","{2-[(2-Hydroxyphenyl)iminomethyl]phenolato}(N-oxido-N- phenylbenzamide)oxovanadium(V)","","- C26 H19 N2 O5 V -","- C26 H19 N2 O5 V -","- C52 H38 N4 O10 V2 -","2","1","ER6010","Shan Gao; Li-Hua Huo; Zhao-Peng Deng; Hui Zhao","{2-[(2-Hydroxyphenyl)iminomethyl]phenolato}(<i>N</i>-oxido-<i>N</i>-phenylbenzamide)oxovanadium(V)","Acta Crystallographica Section E","2005","61","5","m978","m980","10.1107/S1600536805012602","","","0.71073","MoKα","","0.0564","0.0456","","","0.1246","0.1313","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205704","10.8349","0.0007","10.8349","0.0007","14.6028","0.0013","90","","90","","120","","1484.62","0.19","298","2","298","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris({2-[(1-methylimidazol-2-yl)methylimino]ethyl}amine)cobalt(II) diperchlorate","","- C21 H30 Cl2 Co N10 O8 -","- C21 H30 Cl2 Co N10 O8 -","- C42 H60 Cl4 Co2 N20 O16 -","2","0.333333","ER6012","Chen, Hong-Mei; Yang Shi-Ping; Chen, Qiong-Qiong; Zhang, Fan; Chen Jia-Min; Yu, Xi-Bin","Tris({2-[(1-methylimidazol-2-yl)methylimino]ethyl}amine)cobalt(II) diperchlorate","Acta Crystallographica Section E","2005","61","5","m1001","m1003","10.1107/S1600536805012596","","","0.71073","MoKα","","0.055","0.0507","","","0.1331","0.1366","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205705","10.367","0.004","5.1611","0.0007","13.12","0.003","90","","93.2","0.02","90","","700.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Asparaginium picrate","L-Asparaginium picrate","","- C10 H11 N5 O10 -","- C10 H11 N5 O10 -","- C20 H22 N10 O20 -","2","1","ER6019","K. Anitha; S. Athimoolam; R. K. Rajaram","<small>L</small>-Asparaginium picrate","Acta Crystallographica Section E","2005","61","5","o1463","o1465","10.1107/S1600536805012080","","","0.71073","MoKα","","0.0271","0.0251","","","0.0679","0.0695","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205706","11.063","0.002","18.313","0.003","12.615","0.002","90","","92.578","0.002","90","","2553.2","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[μ-salicylaldehyde (1-carboxylatoethylidene)hydrazonato(2-)]bis[ethanolbis(4-fluorobenzyl)tin(IV)]","","- C52 H52 F4 N4 O10 Sn2 -","- C52 H52 F4 N4 O10 Sn2 -","- C104 H104 F8 N8 O20 Sn4 -","2","0.5","FL6151","Min Hong; Handong Yin; Daqi Wang; Zhongjun Gao","Bis(4-fluorobenzyl)tin(IV) ester of pyruvic acid salicylhydrazone","Acta Crystallographica Section E","2005","61","5","m801","m803","10.1107/S1600536805009694","","","0.71073","MoKα","","0.0475","0.0288","","","0.0677","0.0799","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205707","9.245","0.0008","10.0697","0.0009","18.87","0.002","90","","102.654","0.008","90","","1714","0.3","298","2","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","12,12'-Diisobutyl-11,11'-ethylenebis(9,10-dihydro-9,10-ethenoanthracene)","","- C44 H46 -","- C44 H46 -","- C88 H92 -","2","0.5","FL6152","Herres, Joeseph P.; Forman, Mark A.; Wheeler, Kraig A.; Yap, Glenn P.A.","11-(2,2-Dimethylpropyl)-12-{2-[12-(2,2-dimethylpropyl)-9,10-dihydro-9,10-ethenoanthracen-11-yl]ethyl}-9,10-dihydro-9,10-ethenoanthracene","Acta Crystallographica Section E","2005","61","5","o1223","o1225","10.1107/S160053680500944X","","","0.71073","MoKα","","0.1336","0.0593","","","0.1087","0.1336","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205708","5.838","0.002","9.883","0.004","10.576","0.004","107.225","0.014","100.203","0.014","98.894","0.014","559.5","0.4","105","2","105","2","","","","","","","","4","P 1","P 1","1","α-thymidine","1-(2-Deoxy-α-D-ribofuranosyl)-5-methyluracil","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C20 H28 N4 O10 -","2","2","FL6154","Görbitz, Carl Henrik; Nelson, William H.; Sagstuen, Einar","α-Thymidine at 105 K","Acta Crystallographica Section E","2005","61","5","o1207","o1209","10.1107/S1600536805009700","","","0.71073","MoKα","","0.034","0.0322","","","0.085","0.0861","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205709","6.0458","0.0003","9.3592","0.0005","14.0314","0.0006","90","","90.5","0.001","90","","793.92","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[dioxouranium(VI)-μ~4~-n-pentane-1,5-dicarboxylato]","","- C5 H6 O6 U -","- C5 H6 O6 U -","- C20 H24 O24 U4 -","4","1","FL6155","Borkowski, Lauren A.; Cahill, Christopher L.","A novel uranium-containing coordination polymer: poly[dioxouranium(VI)-μ~4~-<i>n</i>-pentane-1,5-dicarboxylato]","Acta Crystallographica Section E","2005","61","5","m816","m817","10.1107/S1600536805009438","","","0.71073","MoKα","","0.0315","0.0267","","","601","0.0622","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205710","17.815","0.005","8.022","0.003","12.251","0.003","90","","110.09","0.02","90","","1644.3","0.9","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-(Hexyloxy)phenyl)pyridin-4(1H)-one monohydrate","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C68 H92 N4 O12 -","4","1","FL6156","Robinson, Paul D.; Li, Chenguang; Wolf, Jeremy R.; Dyer, Daniel J.","1-[4-(Hexyloxy)phenyl]pyridin-4(1<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2005","61","5","o1254","o1256","10.1107/S1600536805010524","","","0.71069","MoKα","","0.158","0.071","","","0.219","0.28","","","","","","1.04","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205711","8.7362","0.0011","6.8235","0.0008","16.957","0.002","90","","95.769","0.002","90","","1005.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-(1S,2S,3S,4R,5R)-N-(1,3-Dihydroxyprop-2-yl)-2,3,4-trihydroxy- 5-(hydroxymethyl)-1-cyclohexanaminium picrate","","- C16 H24 N4 O13 -","- C16 H24 N4 O13 -","- C32 H48 N8 O26 -","2","1","FL6157","Zhu, Jiarong; Chang, Hongjie; Feng, Xiao-Long","(+)-(1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-<i>N</i>-(1,3-Dihydroxyprop-2-yl)-2,3,4-trihydroxy-5-(hydroxymethyl)-1-cyclohexanaminium picrate","Acta Crystallographica Section E","2005","61","5","o1498","o1500","10.1107/S1600536805012419","","","0.71073","MoKα","","0.0428","0.0373","","","0.0955","0.1029","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205712","6.2782","0.0003","8.5831","0.0004","12.3649","0.0006","90","","100.133","0.002","90","","655.91","0.05","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","GH6019","Sandra Gracin; Andreas Fischer","Redetermination of the β-polymorph of <i>p</i>-aminobenzoic acid","Acta Crystallographica Section E","2005","61","5","o1242","o1244","10.1107/S160053680500961X","","","0.71073","MoKα","","0.0834","0.0499","","","0.114","0.1314","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205713","19.0062","0.0018","11.2552","0.0011","20.457","0.002","90","","102.273","0.002","90","","4276.1","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline)nickel(II) hexamolybdate","","- C36 H24 Mo6 N6 Ni O19 -","- C36 H24 Mo6 N6 Ni O19 -","- C144 H96 Mo24 N24 Ni4 O76 -","4","0.5","HB6157","Wenju Wang; Lin Xu; Guanggang Gao; Yongge Wei","Tris(1,10-phenanthroline)nickel(II) hexamolybdate","Acta Crystallographica Section E","2005","61","5","m813","m815","10.1107/S1600536805009748","","","0.71073","MoKα","","0.0324","0.0284","","","0.0757","0.0785","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205714","15.2039","0.0013","7.0727","0.0006","19.4242","0.0019","90","","104.018","0.012","90","","2026.5","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium 4-hydroxybutane-1,1-diylbis(diazeniumdiolate) sesquihydrate","","- C4 H11 N4 Na2 O6.5 -","- C4 H8 N4 Na2.005 O6.495 -","- C32 H64 N32 Na16.04 O51.96 -","8","1","HB6168","Arulsamy, Navamoney; Bohle, D. Scott","Disodium 4-hydroxybutane-1,1-diylbis(diazeniumdiolate) sesquihydrate","Acta Crystallographica Section E","2005","61","5","m961","m963","10.1107/S1600536805012250","","","0.71073","MoKα","","0.0302","0.0288","","","0.0732","0.0742","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2205715","13.223","0.003","15.779","0.003","19.574","0.004","90","","101.065","0.004","90","","4008.1","1.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(Piperidin-1-yl)propionic acid‒triphenyltin chloride (1/2)","","- C44 H45 Cl2 N O2 Sn2 -","- C44 H45 Cl2 N O2 Sn2 -","- C176 H180 Cl8 N4 O8 Sn8 -","4","1","HB6170","Lian Ee Khoo; Alan Hazell","A 1:2 adduct of 3-(piperidin-1-yl)propionic acid and triphenyltin chloride","Acta Crystallographica Section E","2005","61","5","m865","m867","10.1107/S1600536805010792","","","0.71073","MoKα","","","0.022","","","","0.025","","","","","","0.806","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205716","8.682","0.001","9.421","0.001","32.108","0.003","90","","90","","90","","2626.2","0.5","291","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Pentacarbonyl (diphenyl(N-propylamine)phosphine) diiron(μ-1,3-dithiolate propane)","","- C23 H24 Fe2 N O5 P S2 -","- C23 H24 Fe2 N O5 P S2 -","- C92 H96 Fe8 N4 O20 P4 S8 -","4","1","HB6172","Ekström, Jesper; Ott, Sascha; Sun, Licheng; Åkermark, Björn; Eriksson, Lars","Pentacarbonyl(diphenyl(<i>N</i>-propylamine)phosphine)diiron(μ-1,3-propanedithiolate)","Acta Crystallographica Section E","2005","61","5","m852","m853","10.1107/S1600536805010809","","","0.71073","MoKα","","0.123","0.0349","","","0.0488","0.0578","","","","","","0.885","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205717","24.12","0.011","10.732","0.005","21.78","0.011","90","","108.098","0.008","90","","5359","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 Cl2 P4 Ru -","- C50 H92 Cl2 P4 Ru -","- C200 H368 Cl8 P16 Ru4 -","4","0.5","HB6174","Linfang Jia; Wenfu Fu; Mingming Yu; Junfeng Zhang; Yong Chen","(<i>Trans</i>-dichloro-κ<i>Cl</i>)bis[(dicyclohexylphosphino)methane-κ^2^<i>P,P</i>'] ruthenium(II)","Acta Crystallographica Section E","2005","61","5","m858","m859","10.1107/S1600536805010743","","","0.71073","MoKα","","0.0504","0.0324","","","0.0743","0.0827","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205718","24.0937","0.0004","24.6345","0.0005","16.7428","0.0003","90","","117.375","0.0011","90","","8824.6","0.3","150","1","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H76 F12 Nd4 O42 S4 -","- C40 H56 F12 Nd4 O40 S4 -","- C160 H224 F48 Nd16 O160 S16 -","4","0.5","HB6176","Singh-Wilmot, Marvadeen A.; Kahwa, Ishenkumba A.; Lough, Alan J.","Octaaquatetrakis(μ~2~-2,6-diformyl-4-methylphenolato)tetra-μ~3~-hydroxo-tetraneodymium(III) trifluoromethanesulfonate butanol disolvate tetrahydrate","Acta Crystallographica Section E","2005","61","5","m970","m972","10.1107/S1600536805011785","","","0.71073","MoKα","","0.0529","0.0486","","","0.1204","0.1219","","","","","","1.232","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205719","7.5665","0.0016","9.701","0.002","14.129","0.003","103.82","0.003","98.958","0.003","91.721","0.003","992.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 N4 Ni O5 S2 -","- C14 H20 N4 Ni O5 S2 -","- C28 H40 N8 Ni2 O10 S4 -","2","1","HB6177","Shi, Jing Min; Liu, Zhe; Lu, Jian Jun; Liu, Lian Dong","Diaquabis(isothiocyanato)bis(4-methylpyridine <i>N</i>-oxide)nickel(II) monohydrate","Acta Crystallographica Section E","2005","61","5","m871","m872","10.1107/S1600536805010937","","","0.71073","MoKα","","0.0398","0.0353","","","0.0911","0.0941","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205721","15.235","0.0015","19.329","0.0012","15.875","0.0014","90","","113.96","0.006","90","","4272","0.7","273","","273","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","pyrimethaminium sulfosalicylate monohydrate","2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C19 H21 Cl N4 O7 S -","- C19 H21 Cl N4 O7 S -","- C152 H168 Cl8 N32 O56 S8 -","8","2","HB6180","Madhukar Hemamalini; Packianathan Thomas Muthiah; Balasubramanian Sridhar; Ramaswamy Karunanandam Rajaram","Pyrimethaminium sulfosalicylate monohydrate","Acta Crystallographica Section E","2005","61","5","o1480","o1482","10.1107/S1600536805012237","","","0.71069","MoKα","","0.0818","0.0356","","","0.0886","0.1059","","","","","","1.012","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2205722","4.9026","0.0005","17.0331","0.0016","10.479","0.001","90","","97.88","0.002","90","","866.8","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ~4~-5-(3-carboxylato)-1H-tetrazolato-zinc(II)]","","- C8 H4 N4 O2 Zn -","- C8 H4 N4 O2 Zn -","- C32 H16 N16 O8 Zn4 -","4","1","HB6181","Li, Jing-Tang; Tao, Jun; Huang, Rong-Bin; Zhang, Lan-Sun","Poly[μ~4~-5-(3-carboxylatophenyl)-1<i>H</i>-tetrazolato-zinc(II)]","Acta Crystallographica Section E","2005","61","5","m984","m985","10.1107/S1600536805012687","","","0.71073","MoKα","","0.0656","0.0513","","","0.1121","0.1184","","","","","","1.119","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205723","8.4429","0.0002","24.1805","0.0006","17.0825","0.0004","90","","103.495","0.007","90","","3391.17","0.17","295","3","295","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 Mn N4 O8 -","- C38 H30 Mn N4 O8 -","- C152 H120 Mn4 N16 O32 -","4","1","HB6182","Jian-Rong Su; Li Zhang; Duan-Jun Xu","Aqua(4-hydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-hydroxybenzoate monohydrate","Acta Crystallographica Section E","2005","61","5","m939","m941","10.1107/S1600536805011694","","","0.71069","MoKα","","0.085","0.046","","","0.077","0.088","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205724","8.4061","0.0007","5.0843","0.0004","10.7278","0.0008","90","","90","","90","","458.5","0.06","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","PrCu~5-x~In~1+x~","","","- Cu4.76 In1.24 Pr -","- Cu4.763 In1.237 Pr -","- Cu19.052 In4.948 Pr4 -","4","0.5","HB6183","Bobev, Svilen; Bauer, Eric D.","PrCu~5{-~<i>x</i>}In~1+<i>x~</i> [<i>x</i> = 0.24(1)] with the orthorhombic CeCu~6~ structure type","Acta Crystallographica Section E","2005","61","5","i79","i81","10.1107/S1600536805011797","","","0.71073","MoKα","","0.0205","0.016","","","0.0316","0.0326","","","","","","1.136","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205725","8.4056","0.0007","5.0939","0.0004","10.738","0.0008","90","","90","","90","","459.77","0.06","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","CeCu~5-x~In~1+x~","cerium copper indium","","- Ce Cu4.82 In1.17 -","- Ce Cu4.822 In1.178 -","- Ce4 Cu19.288 In4.712 -","4","0.5","HB6184","Bobev, Svilen; Bauer, Eric D.","CeCu~5{-~<i>x</i>}In~1+<i>x~</i> [<i>x</i> = 0.17(1)] with the orthorhombic CeCu~6~ structure","Acta Crystallographica Section E","2005","61","5","i89","i90","10.1107/S1600536805012249","","","0.71073","MoKα","","0.0225","0.0201","","","0.0494","0.0502","","","","","","1.23","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205726","9.705","0.004","10.205","0.004","10.866","0.004","96.481","0.005","111.579","0.005","116.199","0.005","847.7","0.6","183","2","183","2","","","","","","","","7","P -1","-P 1","2","Bis(ferrocenoyl thioureylene)ethane","1,2-Bis(ferrocenylcarbonylthioureido)ethane chloroform trisolvate","","- C28 H28 Cl6 Fe2 N4 O2 S2 -","- C28 H28 Cl6 Fe2 N4 O2 S2 -","- C28 H28 Cl6 Fe2 N4 O2 S2 -","1","0.5","HB6186","Duan, Xine; Zhang, Zhao; Huo, Fangjun","1,2-Bis(ferrocenylcarbonylthioureido)ethane chloroform disolvate","Acta Crystallographica Section E","2005","61","5","m1004","m1005","10.1107/S1600536805012705","","","0.71073","MoKα","","0.0749","0.0684","","","0.1554","0.1591","","","","","","1.127","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205727","8.157","0.001","6.7568","0.0008","17.451","0.002","90","","94.697","0.002","90","","958.6","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","catena-Poly[[aquazinc(II)]-μ-2-carboxylatophenoxyacetato]","","- C9 H8 O6 Zn -","- C9 H8 O6 Zn -","- C36 H32 O24 Zn4 -","4","1","HB6187","Yang, Yan; Meng, Fa-Yan; Zeng, Ming-Hua; Ng, Seik Weng","<i>catena</i>-Poly[[aquazinc(II)]-μ-2-carboxylatophenoxyacetato]","Acta Crystallographica Section E","2005","61","5","m986","m988","10.1107/S1600536805012729","","","0.71073","MoKα","","0.026","0.022","","","0.058","0.06","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205728","7.15","0.002","8.573","0.003","11.171","0.003","98.316","0.004","98.953","0.004","98.42","0.004","659.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6-Cyano-3,3-dimethyl-5-methylsulfanyl-1,3-dihydro-2-oxo-1-thia- 3b,4,8-triazaindacene 1,1-dioxide","","- C11 H10 N4 O3 S2 -","- C11 H10 N4 O3 S2 -","- C22 H20 N8 O6 S4 -","2","1","HG6151","Tian, Li; Wang, Da-Xiang","6-Cyano-3,3-dimethyl-5-methylsulfanyl-1,3-dihydro-2-oxo-1-thia-3b,4,8-triazaindacene 1,1-dioxide","Acta Crystallographica Section E","2005","61","5","o1286","o1287","10.1107/S1600536805010329","","","0.71073","MoKα","","0.0447","0.0393","","","0.1184","0.1208","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205729","10.384","0.002","11.867","0.002","12.659","0.003","90.98","0.003","108.339","0.003","111.211","0.002","1365.2","0.5","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","Dianilinodimethylsilane","","- C14 H18 N2 Si -","- C14 H18 N2 Si -","- C56 H72 N8 Si4 -","4","2","HG6152","Dong, Hai-Lin; Tong, Hong-Bo; Wei, Xue-Hong; Huang, Shu-Ping; Liu, Dian-Sheng","Dianilinodimethylsilane","Acta Crystallographica Section E","2005","61","5","o1354","o1355","10.1107/S1600536805011037","","","0.71073","MoKα","","0.0852","0.0785","","","0.1515","0.1552","","","","","","1.231","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205730","7.6811","0.0015","9.754","0.002","14.357","0.003","90","","90","","90","","1075.6","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Naphthalene-1,4,5,8-tetracarboxylic 1,8-anhydride","","- C14 H6 O7 -","- C14 H6 O7 -","- C56 H24 O28 -","4","1","HG6153","Xu, Yan-Qing; Yuan, Da-Qiang; Zhou, You-Fu; Wu, Ming-Yan; Hong, Mao-Chun","Naphthalene-1,4,5,8-tetracarboxylic 1,8-anhydride","Acta Crystallographica Section E","2005","61","5","o1294","o1296","10.1107/S1600536805009463","","","0.71073","MoKα","","0.0821","0.0634","","","0.128","0.1385","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205731","19.1786","0.0009","7.7058","0.0003","14.0757","0.0007","90","","92.373","0.002","90","","2078.41","0.16","296.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H23 F O8 -","- C23 H23 F O8 -","- C92 H92 F4 O32 -","4","1","HG6158","Zhou, Feng-Yan; Jian, Shan-Zhong; He, Xue-Ying; Wang, Yan-Guang","(5<i>R</i>,5a<i>R</i>,8a<i>R</i>,9<i>S</i>)-5-(3,4-dihydroxy-5-methoxyphenyl)-9-fluoro-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>]-1,3-dioxol-6(5a<i>H</i>)-one acetone solvate","Acta Crystallographica Section E","2005","61","5","o1374","o1376","10.1107/S1600536805011189","","","0.7107","MoKα","","","0.047","","","","0.132","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205732","25.035","0.002","25.035","0.002","11.929","0.002","90","","90","","90","","7476.5","1.5","293","2","293","2","","","","","","","","6","I -4","I -4","82","","1-N-methyl-spiro[2.3']oxindole-spiro[3.2""]5""-(4-chloro)phenyl -10""-(4-chloro)benzylidene-2"",3"",6"",7"",8"",9""-hexahydro-5H,10H- cyclohepteno[1,2-d]thiazolo[3,2-a]pyrimidin-3""-one-4-(2,4- dichloro)phenyl-pyrrolidine","","- C41 H32 Cl4 N4 O2 S -","- C41 H32 Cl4 N4 O2 S -","- C328 H256 Cl32 N32 O16 S8 -","8","1","HG6161","Hu, Xiao-Fen; Feng, Ya-Qing; Liu, Xin-Gang; Qiao, Kang-Jian","10''-(4-Chlorobenzylidene)-5''-(4-chlorophenyl)-4'-(2,4-dichlorophenyl)-1'-methyl-2,3,2'',3'',7'',8'',9'',10''-octahydro-1<i>H</i>,5''<i>H</i>,6''<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-cyclohepteno[1,2-<i>d</i>]thiazolo[3,2-<i>a</i>]pyrimidine-2,3''-dione","Acta Crystallographica Section E","2005","61","5","o1411","o1413","10.1107/S1600536805011621","","","0.71073","MoKα","","0.1156","0.0485","","","","0.1678","","","","","","1.004","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2205733","7.602","0.002","23.09","0.006","10.711","0.003","90","","92.05","0.02","90","","1878.9","0.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10-(5-chloro-2-hydroxybenzylidene)anthrone acetonitrile solvate","","- C23 H16 Cl N O2 -","- C23 H16 Cl N O2 -","- C92 H64 Cl4 N4 O8 -","4","1","HG6163","Wei Zhou; Jie Yan; Wei-Xiao Hu; Chun-Nian Xia","10-(5-Chloro-2-hydroxybenzylidene)anthrone acetonitrile solvate","Acta Crystallographica Section E","2005","61","5","o1523","o1524","10.1107/S1600536805011955","","","0.71073","MoKα","","0.1998","0.0499","","","0.1141","0.1586","","","","","","0.984","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205734","7.2253","0.0001","8.1217","0.0001","32.7768","0.0004","90","","90","","90","","1923.4","0.04","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 F O6 -","- C22 H23 F O6 -","- C88 H92 F4 O24 -","4","1","HG6164","Jian-Hua Zhong; Shan-Zhong Jian; Xue-Ying He; Yan-Guang Wang","(5α,8α,9β,11<i>S</i>)-5,7,8,9-Tetrahydro-11-(fluoromethyl)-9-(3,4,5-trimethoxyphenyl)-5,8-methano-1,3-dioxolo[4,5-<i>h</i>][2]benzoxepin","Acta Crystallographica Section E","2005","61","5","o1280","o1282","10.1107/S1600536805010366","","","0.71069","MoKα","","","0.05","","","","0.1428","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205735","8.759","0.002","10.488","0.003","12.08","0.003","90","","110.015","0.005","90","","1042.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br N3 O -","- C9 H10 Br N3 O -","- C36 H40 Br4 N12 O4 -","4","1","HG6165","Xiang-Chao Zeng; Yu-Xia Li; Shi-Hai Xu; Po-Run Liu","<i>N</i>-Methyl-3-(4-bromo-1<i>H</i>-pyrrole-2-carbonyl)aminopropionitrile","Acta Crystallographica Section E","2005","61","5","o1291","o1293","10.1107/S160053680501038X","","","0.71073","MoKα","","0.0595","0.0431","","","0.11","0.1203","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205736","13.228","0.009","19.64","0.014","11.524","0.008","90","","114.024","0.011","90","","2735","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","[4-(2,2-Diphenyl-vinyl)-phenyl]-diphenyl- amine. n-hexane(1/0.25)","","- C33.5 H28.5 N -","- C33.5 H28.5 N -","- C134 H114 N4 -","4","1","HG6166","Chu, Ji-Cheng; Li, Wei; Liu, Dong-Zhi; Cao, Xiao-Dan","[4-(2,2-Diphenylvinyl)phenyl]diphenylamine <i>n</i>-hexane 0.25 solvate","Acta Crystallographica Section E","2005","61","5","o1372","o1373","10.1107/S1600536805011177","","","0.71073","MoKα","","0.122","0.0687","","","0.2033","0.2434","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2205737","10.482","0.0011","13.1288","0.0015","10.0749","0.0011","90","","103.719","0.004","90","","1346.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(μ~4~-Disulfido-1:2κ^2^S;3:4κ^2^S')bis(μ~2~-ethylthiolato- κ^2^Fe,Fe')tetrakis[tricarbonyliron(II)(Fe—Fe)]","","- C16 H10 Fe4 O12 S4 -","- C16 H10 Fe4 O12 S4 -","- C32 H20 Fe8 O24 S8 -","2","0.5","HG6168","Cheng, Lan-Xia; Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Chang-Neng","(μ~4~-Disulfido-1:2κ^2^<i>S</i>,<i>S</i>;3:4κ^2^<i>S</i>',<i>S</i>')bis(μ~2~-ethylthiolato-κ^<i>2^</i><i>S</i>:<i>S</i>)tetrakis[tricarbonyliron(II)(Fe—Fe)]","Acta Crystallographica Section E","2005","61","5","m892","m894","10.1107/S1600536805011165","","","0.71073","MoKα","","","0.0402","","","0.0854","0.0935","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205738","9.735","0.0007","10.9349","0.001","13.0522","0.001","90","","103.544","0.006","90","","1350.78","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl3 N2 -","- C13 H9 Cl3 N2 -","- C52 H36 Cl12 N8 -","4","1","HG6169","Ton, Quoc Coung; Bolte, Michael","A co-crystal of 1,10-phenanthroline and chloroform","Acta Crystallographica Section E","2005","61","5","o1406","o1407","10.1107/S1600536805011669","","","0.71073","MoKα","","0.0609","0.0445","","","0.1113","0.1194","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205739","10.662","0.002","18.315","0.004","7.6831","0.0015","90","","98.377","0.003","90","","1484.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6,7-dihydro-6-methyl-3-(methylthio)-1-p-tolylpyrano[4,3-c]pyrazol-4(1H)-one","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","1","HG6170","Jing-Jun Hao; You-Ming Wang; Zheng-Ming Li; Hai-Bing Song","6,7-Dihydro-6-methyl-3-(methylsulfanyl)-1-(<i>p</i>-tolyl)pyrano[4,3-<i>c</i>]pyrazol-4(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","5","o1424","o1425","10.1107/S1600536805011931","","","0.71073","MoKα","","0.0639","0.0379","","","0.0943","0.1099","","","","","","0.983","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205740","8.2271","0.0007","9.4663","0.0008","9.5945","0.0009","97.559","0.007","90.415","0.007","90.238","0.007","740.7","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H38 Cu O14 S8 -","- C12 H38 Cu O14 S8 -","- C12 H38 Cu O14 S8 -","1","0.5","HG6171","Bieller, Susanne; Lerner, Hans-Wolfram; Bolte, Michael","Hexakis(dimethyl sulfoxide)copper(II) bis(hydrogen sulfate)","Acta Crystallographica Section E","2005","61","5","m928","m929","10.1107/S1600536805011670","","","0.71073","MoKα","","0.0233","0.0232","","","0.0581","0.0581","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205741","10.25","0.002","10.691","0.002","12.263","0.003","105.46","0.03","110.74","0.03","92.3","0.03","1197.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3-(dimethylamino)-2-(2-{1-[3-(2-methylphenyl)-1,2,4-oxadiazol -5-yl]-2-(dimethylamino)vinyloxyl}phenyl)acrylate","","- C25 H28 N4 O4 -","- C25 H28 N4 O4 -","- C50 H56 N8 O8 -","2","1","HG6172","Pu, Yue-Qing; Wang, Hai-Bo; Chen, Jia-Hui; Wang, Jin-Tang","Methyl 3-(dimethylamino)-2-(2-{2-(dimethylamino)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]vinyloxy}phenyl)acrylate","Acta Crystallographica Section E","2005","61","5","o1426","o1428","10.1107/S160053680501189X","","","0.71073","MoKα","","0.1035","0.0596","","","0.1598","0.1929","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205742","12.371","0.002","8.6873","0.0016","9.9175","0.0018","90","","120.599","0.003","90","","917.4","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Bis(2-methylimidazol-1-yl)methane","","- C9 H12 N4 -","- C9 H12 N4 -","- C36 H48 N16 -","4","0.5","HK6004","Jin, Chuan-Ming; Gong, Chu-Ru","Bis(2-methylimidazol-1-yl)methane","Acta Crystallographica Section E","2005","61","5","o1494","o1495","10.1107/S160053680501247X","","","0.71073","MoKα","","0.0756","0.0681","","","0.1592","0.1686","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205743","11.583","0.001","11.583","0.001","10.747","0.001","90","","90","","90","","1441.9","0.2","289","2","289","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","Tetrakis(3,5-lutidine)dichloronickel(II)","","- C28 H36 Cl2 N4 Ni -","- C28 H36 Cl2 N4 Ni -","- C56 H72 Cl4 N8 Ni2 -","2","0.125","IS6061","Xiang-Sheng Xu; Ya-Ping Lü; Dong-Shun Deng; Mao-Lin Hu; Zhi-Min Jin","Tetrakis(3,5-lutidine)dichloronickel(II)","Acta Crystallographica Section E","2005","61","5","m889","m891","10.1107/S1600536805011141","","","0.71073","MoKα","","0.0497","0.0282","","","0.0697","0.075","","","","","","0.909","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205744","8.4152","0.0003","8.7177","0.0003","9.3451","0.0003","67.769","0.002","87.591","0.002","69.878","0.002","592.8","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cu2 N2 O6 -","- C24 H26 Cu2 N2 O6 -","- C24 H26 Cu2 N2 O6 -","1","0.5","IS6064","Overgaard, Jacob; Chevallier, Marie-Agnes; Iversen, Bo B.","Bis(μ-diacetylacetonato)bis[pyridinecopper(II)]","Acta Crystallographica Section E","2005","61","5","m922","m924","10.1107/S1600536805011360","","","0.71073","MoKα","","0.0475","0.0312","","","0.0771","0.08","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205745","7.3184","0.0004","9.8767","0.0006","12.5639","0.0007","76.6","0.003","88.384","0.003","79.414","0.003","868.28","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34 Co2 N4 O16 -","- C34 H34 Co2 N4 O16 -","- C34 H34 Co2 N4 O16 -","1","0.5","IS6065","Dao-Yong Wang; Gang Liu; Bo Zheng; Jun Lu; Huai-Ming Hu","Bis[tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] 1,2,4,5-benzenetetracarboxylate","Acta Crystallographica Section E","2005","61","5","m925","m927","10.1107/S160053680501161X","","","0.71073","MoKα","","0.0442","0.0352","","","0.0831","0.0871","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205746","6.2548","0.0003","16.258","0.0004","11.46","0.0004","90","","91.601","0.001","90","","1164.92","0.07","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pentaaqua(oxydiacetato-κ^3^O,O',O"")strontium(II) monohydrate","","- C4 H16 O11 Sr -","- C4 H16 O11 Sr -","- C16 H64 O44 Sr4 -","4","1","IS6068","Gaduo; Jian-Rong Su; Duan-Jun Xu","Pentaaqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')strontium(II) monohydrate","Acta Crystallographica Section E","2005","61","5","m950","m952","10.1107/S1600536805012201","","","0.71073","MoKα","","0.033","0.028","","","0.078","0.08","","","","","","1.251","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205747","26.552","0.007","7.3127","0.0019","15.933","0.004","90","","119.648","0.003","90","","2688.6","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methoxy-4-[2-methyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene)methyl]phenyl acetate","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C112 H104 N8 O40 -","8","1","JH6002","Xiangqian Wang; Mingjie Zhang; Zhaobin Qi; Shanshan Ma","2-Methoxy-4-[2-methyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene)methyl]phenyl acetate","Acta Crystallographica Section E","2005","61","5","o1265","o1266","10.1107/S1600536805010196","","","0.71073","MoKα","","0.1126","0.0433","","","0.1124","0.137","","","","","","0.969","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205748","13.616","0.002","5.9421","0.0009","12.7479","0.0019","90","","99.952","0.003","90","","1015.9","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-(2-phenyl-1,2,3-triazol-4-yl)-1,3,4-oxadiazole","","- C10 H8 N6 O -","- C10 H8 N6 O -","- C40 H32 N24 O4 -","4","1","KP6022","Fenhua Wang; Zhanglan Qin; Jiangsheng Huang","2-Amino-5-(2-phenyl-1,2,3-triazol-4-yl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2005","61","5","o1343","o1344","10.1107/S1600536805010901","","","0.71073","MoKα","","0.0787","0.045","","","0.109","0.124","","","","","","0.948","","","","has coordinates,has Fobs","211413","2020-10-21","18:00:00",""
"2205749","9.6168","0.0013","9.7218","0.0013","10.7494","0.0015","64.237","0.002","71.31","0.002","80.941","0.002","857.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-phenyl-benzimidic acid 2-allyl-phenyl ester","","- C22 H19 N O -","- C22 H19 N O -","- C44 H38 N2 O2 -","2","1","KP6049","Guo, Yuping; Zhao, Bing; Li, Chunbao; Gao, Weimin; Li, Jie; Li, Yang","<i>N</i>-Phenylbenzimidic acid 2-allylphenyl ester","Acta Crystallographica Section E","2005","61","5","o1335","o1336","10.1107/S1600536805011104","","","0.71073","MoKα","","0.0571","0.0361","","","0.0922","0.1006","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205750","11.418","0.0007","13.9536","0.0008","3.8525","0.0002","90","","90","","90","","613.79","0.06","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","5-nitro-2-thiophenecarboxaldehyde","5-nitrothiophene-2-carbaldehyde","","- C5 H3 N O3 S -","- C5 H3 N O3 S -","- C20 H12 N4 O12 S4 -","4","1","LH6379","McBurney, Brian; Crundwell, Guy; Updegraff III, James B.; Zeller, Matthias; Hunter, Allen D.","5-Nitrothiophene-2-carbaldehyde","Acta Crystallographica Section E","2005","61","5","o1221","o1222","10.1107/S1600536805009979","","","0.71073","MoKα","","0.0273","0.0273","","","0.0748","0.0748","","","","","","1.179","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205751","7.671","0.002","16.268","0.005","10.884","0.003","90","","110.415","0.005","90","","1272.9","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","LH6389","Yu, Ming; Chen, Xin; Jing, Zuo-Liang","Isonicotinic acid (2-hydroxy-3-methoxybenzylidene)hydrazide","Acta Crystallographica Section E","2005","61","5","o1345","o1346","10.1107/S1600536805011025","","","0.71073","MoKα","","0.0845","0.0511","","","0.1024","0.1156","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205752","6.7867","0.0009","7.0884","0.0009","9.562","0.0013","107.597","0.002","101.854","0.002","97.474","0.002","419.92","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(2E)-N,N'-bis(pyridin-4-ylmethyl)but-2-enediamide dihydrate","(2E)-N,N'-bis(pyridin-4-ylmethyl)but-2-enediamide dihydrate","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","1","0.5","LH6390","Gareth O. Lloyd","(2<i>E</i>)-<i>N,N</i>'-Bis(pyridin-4-ylmethyl)but-2-enediamide dihydrate","Acta Crystallographica Section E","2005","61","5","o1218","o1220","10.1107/S1600536805009980","","","0.71073","MoKα","","0.0423","0.0398","","","0.1087","0.1112","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205753","7.4","0.002","16.462","0.005","10.999","0.003","90","","98.558","0.004","90","","1325","0.6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","3-aceto-4-(4-hydroxyphenethylamino)-3-ene-butenone","3-Acetoxy-4-(4-hydroxyphenethylamino)but-3-en-1-one","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","LH6395","Zhang, Yong-Bin; Guo, Wei; Hao, Jun-Sheng; Li, Dong-Hong; Huang, Shu-Ping; Xia, Chi-Zhong","3-Acetoxy-4-(4-hydroxyphenethylamino)but-3-en-1-one","Acta Crystallographica Section E","2005","61","5","o1318","o1320","10.1107/S1600536805010706","","","0.71073","MoKα","","0.0508","0.0494","","","0.1115","0.1123","","","","","","1.203","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205754","8.2741","0.0002","13.1807","0.0005","5.7182","0.0003","90","","90","","90","","623.62","0.04","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-Chloronicotinic acid","2-Chloropyridine-3-carboxylic acid","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C24 H16 Cl4 N4 O8 -","4","1","LH6397","Souza, Marcus V. N. de; Wardell, Solange M. S. V.; Howie, R. Alan","2-Chloropyridine-3-carboxylic acid","Acta Crystallographica Section E","2005","61","5","o1347","o1349","10.1107/S160053680501024X","","","0.71073","MoKα","","0.0613","0.0545","","","0.1282","0.1329","","","","","","1.19","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205755","25.705","0.009","7.912","0.004","24.636","0.008","90","","112.742","0.008","90","","4621","3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ^2^-Diphosphorus(P—P)-1:2κ^2^P,P;1:2κ^2^P',P' bis[η^5^-ethoxycarbonylcyclopentadienyl]- bis(carbonyl-1κC)bis(carbonyl-2κC)dimolybdenum(I)(Mo—Mo)]","","- C20 H18 Mo2 O8 P2 -","- C20 H18 Mo2 O8 P2 -","- C160 H144 Mo16 O64 P16 -","8","1","LH6398","Yao-Cheng Shi; Bei-Bei Zhu; Rong Guo","μ~2~-Diphosphorus(P—P)-1:2κ^2^<i>P</i>,<i>P</i>;1:2κ^2^<i>P</i>',<i>P</i>'-bis[η^5^-ethoxycarbonylcyclopentadienyl]-bis(carbonyl-1κ<i>C</i>)bis(carbonyl-2κ<i>C</i>)dimolybdenum(I)(Mo—Mo)]","Acta Crystallographica Section E","2005","61","5","m844","m845","10.1107/S1600536805010573","","","0.71073","MoKα","","0.0612","0.0352","","","0.0846","0.0918","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205756","5.276","0.002","9.307","0.004","24.841","0.007","90","","95.64","0.02","90","","1213.9","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Oxcarbazepine","10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","LH6401","Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald","Oxcarbazepine: structure and anticonvulsant activity","Acta Crystallographica Section E","2005","61","5","o1313","o1315","10.1107/S1600536805010676","","","1.54178","CuKα","","0.0466","0.0373","","","0.1167","0.1244","","","","","","0.813","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205757","10.2998","0.0002","18.5245","0.0003","21.966","0.0003","90","","94.118","0.001","90","","4180.26","0.12","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis[tris(3,5-dimethylpyrazolyl)methane]nickel(II)][tetrachloronickel(II)] methanol water solvate","","- C33 H50 Cl4 N12 Ni2 O2 -","- C33 H48 Cl4 N12 Ni2 O -","- C132 H192 Cl16 N48 Ni8 O4 -","4","1","LH6402","Annie Michaud; Frédéric-Georges Fontaine; Davit Zargarian","[Bis[tris(3,5-dimethylpyrazolyl)methane]nickel(II)][tetrachloronickelate(II)]‒methanol‒water (1/1/1)","Acta Crystallographica Section E","2005","61","5","m904","m906","10.1107/S1600536805011128","","","1.54178","CuKα","","0.0562","0.0509","","","0.1523","0.1561","","","","","","1.131","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205758","8.394","0.003","5.158","0.002","26.972","0.006","90","","101.47","0.02","90","","1144.5","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","felbamate","2-Phenyl-1,3-propanediol dicarbamate","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","1","LH6403","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","Felbamate: a carbamate-type anticonvulsant","Acta Crystallographica Section E","2005","61","5","o1381","o1383","10.1107/S1600536805011347","","","1.54178","CuKα","","0.046","0.0335","","","0.0887","0.0932","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205759","9.984","0.002","12.04","0.003","14.36","0.004","96.74","0.02","95.82","0.02","126.51","0.03","1345.8","0.8","294","2","294","2","","","","","","","","4","P -1","-P 1","2","methylfelbamate","2-Methyl-2-phenyl-1,3-propanediol dicarbamate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C48 H64 N8 O16 -","4","2","LH6404","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","Methylfelbamate","Acta Crystallographica Section E","2005","61","5","o1384","o1386","10.1107/S1600536805011335","","","1.54178","CuKα","","0.0659","0.0448","","","0.1047","0.111","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205760","18.2966","0.0005","5.06225","0.0001","15.7245","0.0004","90","","104.557","0.0015","90","","1409.68","0.06","295","","295","","","","","","","","","2","P 1 21 1","P 2yb","4","Dibenz[a,c]anthracene","1,2:5,6-Dibenzanthracene","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","2","LH6405","Fernandes, Philippe; Florence, Alastair; Shankland, Kenneth; David, Bill","Powder diffraction study of 1,2:3,4-dibenzanthracene","Acta Crystallographica Section E","2005","61","5","o1483","o1485","10.1107/S1600536805012171","","","1.54056","CuKα1","","","","","","","","","","1.64","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205761","11.597","0.003","14.213","0.003","7.827","0.002","90","","90.15","0.02","90","","1290.1","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nafimidone monohydrate","2-(1H-imidazol-1-yl)-1-(2-naphthyl)ethanone monohydrate","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","LH6406","Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald","Nafimidone monohydrate: an imidazole anticonvulsant","Acta Crystallographica Section E","2005","61","5","o1387","o1389","10.1107/S1600536805011487","","","1.54178","CuKα","","0.1044","0.055","","","0.1517","0.1743","","","","","","0.917","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205762","15.315","0.007","5.573","0.003","17.487","0.008","90","","99.863","0.009","90","","1470.5","1.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diphenylguanidinium-monohydrogen-oxalate (1/1)","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","1","LH6408","Mao-Lin Hu; Wei-Dong Wang","Diphenylguanidinium hydrogen oxalate","Acta Crystallographica Section E","2005","61","5","o1408","o1410","10.1107/S1600536805011591","","","0.71073","MoKα","","0.105","0.0877","","","0.1837","0.1988","","","","","","1.323","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205763","14.379","0.002","13.234","0.002","19.705","0.003","90","","104","0.03","90","","3638.3","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aqua(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ- 4-carboxylatophenoxyacetato-κ^3^O,O':O'']","","- C19 H16 Mn N2 O6 -","- C19 H16 Mn N2 O6 -","- C152 H128 Mn8 N16 O48 -","8","1","LH6411","Gao, Shan; Huo, Li-Hua; Liu, Ji-Wei; Zhao, Hui","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N,N</i>')manganese(II)]-μ-4-carboxylatophenoxyacetato-κ^3^<i>O,O</i>':<i>O</i>'']","Acta Crystallographica Section E","2005","61","5","m989","m991","10.1107/S1600536805012584","","","0.71073","MoKα","","0.1334","0.0659","","","0.1303","0.146","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205764","11.6604","0.0015","8.0103","0.0011","8.9702","0.0016","90","","90","","90","","837.8","0.2","278","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","neodymium triiodide nonahydrate","neodymium triiodide nonahydrate","","- H18 I3 Nd O9 -","- I3 Nd O9 -","- I6 Nd2 O18 -","2","0.25","MG6032","Timofte, Tudor; Babai, Arash; Meyer, Gerd; Mudring, Anja","Neodymium triiodide nonahydrate","Acta Crystallographica Section E","2005","61","5","i87","i88","10.1107/S160053680501216X","","","0.71073","MoKα","","0.0652","0.0476","","","0.1312","0.1433","","","","","","1.021","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205765","12.791","0.002","6.4448","0.0016","12.068","0.003","90","","104.741","0.016","90","","962.1","0.4","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-Phenyl-1-ethylammonium (R)-2-hydroxymethyl-2-(2-naphthyl)propanoate","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","NC6025","Ohba, Shigeru; Tsutsumi, Tomomi; Terao, Yosuke; Miyamoto, Kenji; Ohta, Hiromichi","(<i>R</i>)-1-Phenyl-1-ethylammonium (<i>R</i>)-2-hydroxymethyl-2-(2-naphthyl)propanoate","Acta Crystallographica Section E","2005","61","5","o1283","o1285","10.1107/S1600536805010305","","","0.71073","MoKα","","","0.0484","","","","0.1022","","","","","","0.973","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205766","15.142","0.001","11.6395","0.0008","11.2429","0.0014","90","","111.363","0.007","90","","1845.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-di(2-furyl)-2-propen-1-one","","- C11 H8 O3 -","- C11 H8 O3 -","- C88 H64 O24 -","8","2","NC6027","Ocak Ískeleli, Nazan; Işık, Şamil; Özdemir, Zuhal; Bilgin, Altan","(<i>E</i>)-1,3-Di(2-furyl)-2-propen-1-one","Acta Crystallographica Section E","2005","61","5","o1356","o1358","10.1107/S1600536805011244","","","0.71073","MoKα","","0.0486","0.0377","","","0.0899","0.0947","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205767","10.4667","0.0017","6.2976","0.0007","14.072","0.002","90","","103.738","0.019","90","","901","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hepta-ammonium bis(hydrogenphosphate) phosphate","heptaammonium bis(hydrogenphosphate) phosphate","","- H30 N7 O12 P3 -","- H30 N7 O12 P3 -","- H60 N14 O24 P6 -","2","1","NC6029","Nolte, Matthias; Pantenburg, Ingo; Meyer, Gerd","(NH~4~)~7~(HPO~4~)~2~(PO~4~), heptaammonium bis(hydrogenphosphate) phosphate","Acta Crystallographica Section E","2005","61","5","i84","i86","10.1107/S1600536805012018","","","0.71073","MoKα","","0.0392","0.0306","","","0.0713","0.0839","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205768","15.59","0.003","7.528","0.0015","15.755","0.003","90","","107.85","0.03","90","","1760","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-ferrocenyl-3-(2-hydroxymethylphenyl)aminobut-2-en-1-one","","- C21 H21 Fe N O2 -","- C21 H21 Fe N O2 -","- C84 H84 Fe4 N4 O8 -","4","1","NG6111","Yao-Cheng Shi","Hydrogen-bonded <i>R</i>~2~^2^(16) dimers in 1-ferrocenyl-3-(2-hydroxymethylphenyl)aminobut-2-en-1-one","Acta Crystallographica Section E","2005","61","5","m811","m812","10.1107/S1600536805009104","","","0.71073","MoKα","","0.1049","0.0564","","","0.1424","0.1766","","","","","","0.962","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205769","19.385","0.005","7.5134","0.0019","14.859","0.004","90","","126.487","0.003","90","","1740","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diiodidobis(4-methylpyridine N-oxide-?O)zinc(II)","","- C12 H14 I2 N2 O2 Zn -","- C12 H14 I2 N2 O2 Zn -","- C48 H56 I8 N8 O8 Zn4 -","4","0.5","NG6123","Shi, Jing-Min; Liu, Zhe; Lu, Jian-Jun; Liu, Lian-Dong","Diiodidobis(4-methylpyridine <i>N</i>-oxide-κO)zinc(II)","Acta Crystallographica Section E","2005","61","5","m856","m857","10.1107/S160053680501072X","","","0.71073","MoKα","","0.036","0.0301","","","0.0722","0.0747","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205770","8.1038","0.0007","21.675","0.001","12.6164","0.0009","90","","94.126","0.006","90","","2210.3","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1-Benzylimidazole)(chloro)bis(dimethylglyoximato)cobalt(III)","","- C18 H24 Cl Co N6 O4 -","- C18 H24 Cl Co N6 O4 -","- C72 H96 Cl4 Co4 N24 O16 -","4","1","NG6128","Shen, Xu-Jie; Pan, Qin-He; Xiao, Li-Ping; Xu, Ru-Ren","(1-Benzyl-1<i>H</i>-imidazole)chlorobis(dimethylglyoximato)cobalt(III)","Acta Crystallographica Section E","2005","61","5","m936","m938","10.1107/S1600536805011359","","","0.71073","MoKα","","0.082","0.0454","","","0.0997","0.1121","","","","","","0.92","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205771","14.748","0.005","14.748","","6.465","0.008","90","","90","","90","","1406.2","1.8","293","2","293","2","","","","","","","","4","I -4","I -4","82","","Tetrakis[4-(trifluoromethyl)phenyl]stannane","","- C28 H16 F12 Sn -","- C28 H16 F12 Sn -","- C56 H32 F24 Sn2 -","2","0.25","NG6134","Young, David J.; Manuaba, Putra; Healy, Peter C.; Tiekink, Edward R. T.","Tetrakis[4-(trifluoromethyl)phenyl]stannane","Acta Crystallographica Section E","2005","61","5","m956","m957","10.1107/S1600536805012213","","","0.71069","MoKα","","0.099","0.051","","","0.134","0.157","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205772","7.2955","0.0005","8.3616","0.0006","11.93","0.0008","89.059","0.001","88.827","0.001","70.549","0.001","686.04","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Diaquadibenzimidazolebis(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine- 1-acetato)nickel(II)","","- C26 H24 F2 N8 Ni O10 -","- C26 H24 F2 N8 Ni O10 -","- C26 H24 F2 N8 Ni O10 -","1","0.5","NG6139","Mao-Lin Hu; Wei-Dong Wang","Diaquadibenzimidazolebis(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-acetato)nickel(II)","Acta Crystallographica Section E","2005","61","5","m975","m977","10.1107/S1600536805012432","","","0.71073","MoKα","","0.0308","0.0291","","","0.073","0.0741","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205773","10.712","0.009","15.593","0.013","9.556","0.008","90","","90","","90","","1596","2","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Potassium tris(2-aminoethanesulfonato-κ^2^<i>N</i>,<i>O</i>)nickelate(II)","","- C6 H18 K N3 Ni O9 S3 -","- C6 H18 K N3 Ni O9 S3 -","- C24 H72 K4 N12 Ni4 O36 S12 -","4","1","OB6493","Yi-Min Jiang; Jin-Hua Cai; Zhi-Min Liu","Potassium tris(2-aminoethanesulfonato-κ^2^<i>N</i>,<i>O</i>)nickelate(II)","Acta Crystallographica Section E","2005","61","5","m878","m880","10.1107/S1600536805010846","","","0.71073","MoKα","","0.046","0.041","","","0.082","0.085","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205774","17.822","0.004","9.536","0.002","21.256","0.005","90","","97.445","0.017","90","","3582","1.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Dibromotetra(3-tert-butylpyrazole-κN)nickel(II)","","- C28 H48 Br2 N8 Ni -","- C28 H48 Br2 N8 Ni -","- C112 H192 Br8 N32 Ni4 -","4","1","OB6496","Annie Michaud; Frédéric-Georges Fontaine; Davit Zargarian","<i>trans</i>-Dibromotetra(3-<i>tert</i>-butylpyrazole-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2005","61","5","m846","m848","10.1107/S1600536805010597","","","1.54178","CuKα","","0.0465","0.045","","","0.124","0.1254","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205775","11.8053","0.001","15.6404","0.0015","22.432","0.002","90","","90","","90","","4141.8","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10-Amino-3,3,6,6-tetramethyl-9-(4-bromophenyl)-3,4,5,6,9,10-hexahydroacridine- 1,8(2H,7H)-dione","","- C23 H27 Br N2 O2 -","- C23 H27 Br N2 O2 -","- C184 H216 Br8 N16 O16 -","8","1","OB6497","Shu-Jiang Tu; Jin-Peng Zhang; Xiao-Tong Zhu; Jia-Ning Xu; Qian Wang","10-Amino-9-(4-bromophenyl)-3,3,6,6-tetramethyl-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","5","o1491","o1493","10.1107/S160053680501202X","","","0.7107","MoKα","","0.0473","0.0423","","","0.0993","0.1018","","","","","","1.163","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205776","6.1829","0.0008","7.0696","0.0008","7.3023","0.0006","70.443","0.008","80.153","0.008","63.973","0.01","270.16","0.06","295","2","295","2","","","","","","","","3","P -1","-P 1","2","triquinoyl octahydrate","Dodecahydroxycyclohexane dihydrate","","- C6 H16 O14 -","- C6 H16 O14 -","- C6 H16 O14 -","1","0.5","OB6498","Klapötke, Thomas M.; Polborn, Kurt; Weigand, Jan J.","Dodecahydroxycyclohexane dihydrate","Acta Crystallographica Section E","2005","61","5","o1393","o1395","10.1107/S1600536805010007","","","0.71073","MoKα","","0.0348","0.0328","","","0.0886","0.0908","","","","","","1.098","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205777","7.5031","0.0013","19.61","0.003","18.401","0.004","90","","99.894","0.007","90","","2667.2","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5-Trichloro-4-methoxy-6-[2,3,5-trichloro-4-methoxy-6- (2,3,5,6-tetrachloro-4-methoxyphenoxy)phenoxy]phenol","","- C21 H10 Cl10 O6 -","- C21 H10 Cl10 O6 -","- C84 H40 Cl40 O24 -","4","1","OB6499","Hashizume, Daisuke; Koshino, Hiroyuki; Lee, In-Kyoung; Yoo, Ick-Dong","2,3,5-Trichloro-4-methoxy-6-[2,3,5-trichloro-4-methoxy-6-(2,3,5,6-tetrachloro-4-methoxyphenoxy)phenoxy]phenol","Acta Crystallographica Section E","2005","61","5","o1367","o1369","10.1107/S1600536805011220","","","0.71073","MoKα","","0.046","0.0339","","","0.0741","0.0781","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205778","17.518","0.003","16.667","0.003","18.414","0.003","90","","113.25","0.01","90","","4939.8","1.5","93.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H132 N2 O18 Zn3 -","- C94 H132 N2 O18 Zn3 -","- C188 H264 N4 O36 Zn6 -","2","0.5","OB6501","Mizuguchi, Jin; Makino, Takashi","Diacetonitrileheptakis[μ-3,5-bis(1,1-dimethylethyl)-2-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>']trizinc(II)","Acta Crystallographica Section E","2005","61","5","m953","m955","10.1107/S1600536805011980","","","1.5418","CuKα","","","0.0644","","","","0.1644","","","","","","1.032","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205779","8.171","0.002","8.774","0.002","16.385","0.004","93.826","0.006","94.393","0.006","98.725","0.006","1154","0.5","203.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H15 Cl In N O6 W2 -","- C21 H15 Cl In N O6 W2 -","- C42 H30 Cl2 In2 N2 O12 W4 -","2","1","OB6502","Nakazawa, Hiroshi; Itazaki, Masumi; Owaribe, Mari","Chloropyridinebis[tricarbonyl(η^5^-cyclopentadienyl)tungstenio]indium","Acta Crystallographica Section E","2005","61","5","m945","m946","10.1107/S1600536805011992","","","0.7107","MoKα","","","0.0516","","","","0.0941","","","","","","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205780","8.511","0.0004","13.526","0.001","8.6612","0.0005","90","","114.119","0.005","90","","910.03","0.1","297.2","","24","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-chloro-3-nitrocoumarin","4-chloro-3-nitro-2H- chromen-2-one","","- C9 H4 Cl N O4 -","- C9 H4 Cl N O4 -","- C36 H16 Cl4 N4 O16 -","4","1","OB6503","Fujii, Isao; Mano, Yoshihiro; Hirayama, Noriaki","4-Chloro-3-nitrocoumarin: an unusual non-bonding C—Cl···O=C interaction","Acta Crystallographica Section E","2005","61","5","o1456","o1458","10.1107/S1600536805011943","","","1.5418","CuKα","","","0.0471","","","","0.1984","","","","","","1.206","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205781","8.2117","0.0006","8.2117","0.0006","27.44","0.003","90","","90","","90","","1850.3","0.3","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","1,3,3,5-tetramethyl-6'-chloro-8'-bromoSpiro[(2'H,1'- benzopyran)-2,2'-indolines]","","- C20 H19 Br Cl N O -","- C20 H19 Br Cl N O -","- C80 H76 Br4 Cl4 N4 O4 -","4","1","OB6504","Hui Guo; Yong-Bin Gao; Jie Han; Ji-Ben Meng","8-Bromo-6-chloro-1',3',3',5'-tetramethylspiro[2<i>H</i>-1-benzopyran-2,2'-indoline]","Acta Crystallographica Section E","2005","61","5","o1461","o1462","10.1107/S1600536805011864","","","0.71073","MoKα","","0.0413","0.029","","","0.0654","0.069","","","","","","1.017","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205782","25.216","0.003","9.9757","0.0009","25.566","0.003","90","","108.566","0.003","90","","6096.4","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diethyl cis-1,2,3,4,5,10-hexahydro-7,8-dimethyl-1,4-dioxo-2,3,4a,10a- tetraazabenzo[g]cyclopent[cd]azulene-2a,10b-dicarboxylate chloroform disolvate","","- C22 H26 Cl6 N4 O6 -","- C22 H26 Cl6 N4 O6 -","- C176 H208 Cl48 N32 O48 -","8","1","OB6507","Wei, Fa-Qian; Wu, An-Xin","Diethyl <i>cis</i>-1,2,3,4,5,10-hexahydro-7,8-dimethyl-1,4-dioxo-2,3,4a,10a-tetraazabenzo[<i>g</i>]cyclopent[<i>cd</i>]azulene-2a,10b-dicarboxylate chloroform disolvate","Acta Crystallographica Section E","2005","61","5","o1453","o1455","10.1107/S1600536805012183","","","0.71073","MoKα","","0.0947","0.0582","","","0.1126","0.1192","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205783","12.5448","0.0008","13.0525","0.0008","13.3493","0.0009","90","","102.731","0.001","90","","2132.1","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquabis[2-(2-pyridyl)-1H-benzimidazolato]zinc(II)","","- C24 H18 N6 O Zn -","- C24 H18 N6 O Zn -","- C96 H72 N24 O4 Zn4 -","4","1","OB6509","Yang, Jian-Kui; Zeng, Ming-Hua; Ng, Seik Weng","Aquabis[2-(2-pyridyl)-1<i>H</i>-benzimidazolato]zinc(II)","Acta Crystallographica Section E","2005","61","5","m992","m993","10.1107/S1600536805012614","","","0.71073","MoKα","","0.064","0.048","","","0.121","0.131","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205784","6.625","0.001","8.525","0.001","9.821","0.002","92.62","0.01","103.42","0.01","96.89","0.01","534.07","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Disodium 3-oxobutane-2,2-diylbis(diazeniumdiolate) dihydrate","","- C4 H10 N4 Na2 O7 -","- C4 H10 N4 Na2 O7 -","- C8 H20 N8 Na4 O14 -","2","1","OM6232","Arulsamy, Navamoney; Bohle, D. Scott","Disodium 3-oxobutane-2,2-diylbis(diazeniumdiolate) dihydrate","Acta Crystallographica Section E","2005","61","5","m838","m840","10.1107/S1600536805009803","","","0.71073","MoKα","","0.0455","0.0434","","","0.1146","0.1169","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205785","13.682","0.0002","9.732","0.0001","17.1014","0.0002","90","","104.964","0.001","90","","2199.89","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(TTP)(THF)~2~]","Difuran(5,10,15,20-tetra-p-tolylporphyrinato)iron(II)","","- C56 H52 Fe N4 O2 -","- C56 H52 Fe N4 O2 -","- C112 H104 Fe2 N8 O4 -","2","0.5","OM6233","Hu, Chuan-Jiang; Noll, Bruce C.; Scheidt, W. Robert.","High-spin [Fe(TTP)(THF)~2~]","Acta Crystallographica Section E","2005","61","5","m830","m831","10.1107/S1600536805009633","","","0.71073","MoKα","","0.046","0.0375","","","0.0947","0.102","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205786","14.433","0.002","7.6395","0.0008","18.089","0.002","90","","111.527","0.002","90","","1855.4","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[cis-diaqua(2,2'-bipyridine)zinc(II)]-μ-5-sulfonatosalicylato]","","- C17 H16 N2 O8 S Zn -","- C17 H16 N2 O8 S Zn -","- C68 H64 N8 O32 S4 Zn4 -","4","1","OM6234","Fan, Sai-Rong; Zhu, Long-Guan; Xiao, Hong-Ping","<i>catena</i>-Poly[[<i>cis</i>-diaqua(2,2'-bipyridine)zinc(II)]-μ-5-sulfonatosalicylato]","Acta Crystallographica Section E","2005","61","5","m804","m806","10.1107/S1600536805009645","","","0.71073","MoKα","","0.0319","0.0301","","","0.0815","0.0829","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205787","19.2667","0.0017","11.1275","0.001","6.6484","0.0006","90","","90","","90","","1425.4","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(μ-Formato-κ^2^O:O')aquachloro(1,10-phenanthroline-κ^2^N,N')manganese(II) monohydrate","","- C13 H13 Cl Mn N2 O4 -","- C13 H13 Cl Mn N2 O4 -","- C52 H52 Cl4 Mn4 N8 O16 -","4","1","OM6236","Jing Xiong; Wei-Dong Wang; Hong-Ping Xiao; Mao-Lin Hu","(μ-Formato-κ^2^<i>O</i>:<i>O</i>')aquachloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) monohydrate","Acta Crystallographica Section E","2005","61","5","m901","m903","10.1107/S1600536805011311","","","0.71073","MoKα","","0.0501","0.0457","","","0.0894","0.0913","","","","","","1.104","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205788","16.0767","0.0012","11.2793","0.001","8.9528","0.0005","90","","90","","90","","1623.4","0.2","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","N,N-Bis-(3-methylphenyl)-N-(4-methylphenyl)amine","","- C21 H21 N -","- C21 H21 N -","- C84 H84 N4 -","4","0.5","RN6045","Manifar, Touraj; Rohani, Sohrab; Jennings, Michael, C.","<i>N</i>,<i>N</i>-Bis-(3-methylphenyl)-<i>N</i>-(4-methylphenyl)amine","Acta Crystallographica Section E","2005","61","5","o1297","o1299","10.1107/S1600536805010457","","","0.71073","MoKα","","0.101","0.0583","","","0.1468","0.1696","","","","","","1.058","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205789","7.642","0.005","10.1","0.007","15.25","0.01","90","","101.275","0.008","90","","1154.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Amino-1-(1,5-dimethyl-1H-pyrazol-4-ylcarbonyl)-3-methylsulfanyl- 1H-1,2,4-triazole","","- C9 H12 N6 O S -","- C9 H12 N6 O S -","- C36 H48 N24 O4 S4 -","4","1","RZ6057","Li-Rong Wen; Ming Li; Zi-Qin Ke; Xiao Wang","5-Amino-1-(1,5-dimethyl-1<i>H</i>-pyrazol-4-ylcarbonyl)-3-methylsulfanyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2005","61","5","o1231","o1232","10.1107/S1600536805010019","","","0.71073","MoKα","","0.048","0.0427","","","0.1331","0.1383","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205790","5.7572","0.0014","11.545","0.003","14.778","0.004","78.575","0.004","81.022","0.003","81.362","0.004","943.7","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-(1H-Benzo-1,2,3-triazol-1-yl)-4,4-dimethyl-3-oxo-N-phenylpentanethioamide monohydrate","","- C19 H22 N4 O2 S -","- C19 H22 N4 O2 S -","- C38 H44 N8 O4 S2 -","2","1","RZ6062","Liangzhong Xu; Shuanghua Yang; Yongqi Qin; Yaxun Yang; Yongwei Huang","2-(1<i>H</i>-Benzo-1,2,3-triazol-1-yl)-4,4-dimethyl-3-oxo-<i>N</i>-phenylpentanethioamide monohydrate","Acta Crystallographica Section E","2005","61","5","o1267","o1268","10.1107/S1600536805010238","","","0.71073","MoKα","","0.107","0.0617","","","0.1417","0.1513","","","","","","0.797","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205791","4.9278","0.0006","12.6217","0.0014","19.601","0.002","90","","90","","90","","1219.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 3-oxo-1,2-benzoisothiazoline-2-acetate 1,1-dioxide","","- C11 H11 N O5 S -","- C11 H11 N O5 S -","- C44 H44 N4 O20 S4 -","4","1","RZ6064","Xu, Liang-Zhong; Si, Guo-Dong; Li, Zai-Feng; Yang, Shuang-Hua; Li, Kai","Ethyl 3-oxo-1,2-benzisothiazoline-2-acetate 1,1-dioxide","Acta Crystallographica Section E","2005","61","5","o1329","o1330","10.1107/S1600536805010949","","","0.71073","MoKα","","0.0354","0.0291","","","0.0732","0.0754","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205792","8.363","0.007","6.898","0.006","11.524","0.01","90","","96.879","0.012","90","","660","1","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","4-Phenyl-5-(1',5'-dimethyl-4'-pyrazolyl)-1,2,4-triazol-3-thione","","- C13 H13 N5 S -","- C13 H13 N5 S -","- C26 H26 N10 S2 -","2","0.5","RZ6065","Wen, Li-Rong; Ke, Zi-Qin; Li, Ming; Guo, Wei-Si","3-(1,5-Dimethylpyrazol-4-yl)-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","5","o1436","o1438","10.1107/S1600536805011748","","","0.71073","MoKα","","0.0509","0.0368","","","0.0922","0.1002","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205793","9.109","0.001","9.2626","0.001","9.7553","0.0011","103.411","0.002","102.791","0.002","107.081","0.002","727.28","0.14","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","4-(4-nitrophenyl)-2,3,3a,4,5,9b-hexahydro furo[3,2-c]quinoline","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","RZ6066","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","4-(4-Nitrophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-<i>c</i>]quinoline","Acta Crystallographica Section E","2005","61","5","o1419","o1421","10.1107/S160053680501175X","","","0.71073","MoKα","","0.0687","0.056","","","0.1514","0.1633","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205794","16.859","0.009","5.667","0.003","12.58","0.007","90","","90.685","0.009","90","","1201.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(2-(propan-2-ylidene)hydrazono)-3-phenylthiazolidin-4-one","","- C12 H13 N3 O S -","- C12 H13 N3 O S -","- C48 H52 N12 O4 S4 -","4","1","RZ6067","Xu, Liang-Zhong; Li, Kai; Song, Hai-Bin; Huang, Yong-Wei; Zhou, Kai","(<i>Z</i>)-3-Phenyl-2-(propan-2-ylidenehydrazono)thiazolidin-4-one","Acta Crystallographica Section E","2005","61","5","o1417","o1418","10.1107/S1600536805011815","","","0.71073","MoKα","","0.1152","0.0511","","","0.1131","0.1323","","","","","","0.891","","","","has coordinates,has disorder,has Fobs","201973","2020-10-21","18:00:00",""
"2205795","5.1151","0.0009","9.579","0.0018","18.426","0.003","87.292","0.003","83.782","0.003","87.021","0.004","895.5","0.3","292","1","292","1","","","","","","","","6","P -1","-P 1","2","","N-[5-(1E)-Styryl-1,3,4-thiadiazol-2-yl]-4-Bromophenoxy-acetamide","","- C18 H14 Br N3 O2 S -","- C18 H14 Br N3 O2 S -","- C36 H28 Br2 N6 O4 S2 -","2","1","RZ6068","Song, Xinjian; Tan, Xiaohong; Meng, Xianggao; Wang, Yangang","2-(4-Bromophenoxy)-<i>N</i>-[5-(<i>E</i>)-styryl-1,3,4-thiadiazol-2-yl]acetamide","Acta Crystallographica Section E","2005","61","5","o1422","o1423","10.1107/S1600536805011803","","","0.71073","MoKα","","0.1493","0.0678","","","0.1318","0.1849","","","","","","0.972","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205796","12.01","0.002","10.401","0.001","16.988","0.002","90","","108.178","0.002","90","","2016.2","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(But-3-enyl)pyridinium-2-carboxylate‒5-butylpyridine-2-carboxylic acid (1/1)","","- C20 H24 N2 O4 -","- C19.999 H24 N2 O4 -","- C79.996 H96 N8 O16 -","4","1","RZ6069","Wang, Jun; Li, Guang-Wei; Lin, Yong-Cheng; Zhou, Shi-Ning; Ng, Seik Weng","5-(But-3-enyl)pyridinium-2-carboxylate‒5-butylpyridine-2-carboxylic acid (1/1), a co-crystal from <i>Fusarium moniliforme</i>","Acta Crystallographica Section E","2005","61","5","o1515","o1516","10.1107/S1600536805012675","","","0.71073","MoKα","","0.118","0.063","","","0.181","0.229","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205797","8.5277","0.0008","14.2285","0.0013","11.5972","0.0011","90","","93.59","0.002","90","","1404.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(o-Methoxyphenyl)-1,3,4,4a,5,6,7,8a-octahydro-2H-pyrano[2,3-d]pyrimidin- 2-thione","","- C14 H18 N2 O2 S -","- C14 H18 N2 O2 S -","- C56 H72 N8 O8 S4 -","4","1","SG6001","Lei Yan; Yu-Lin Zhu; Yuan-Jiang Pan","4-(<i>o</i>-Methoxyphenyl)-1,3,4,4a,5,6,7,8a-octahydro-2<i>H</i>-pyrano[2,3-<i>d</i>]pyrimidine-2-thione","Acta Crystallographica Section E","2005","61","5","o1228","o1230","10.1107/S1600536805010068","","","0.71073","MoKα","","0.0378","0.0303","","","0.0901","0.0931","","","","","","1.123","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205798","12.6304","0.0013","50.875","0.007","11.017","0.003","90","","112.5","0.01","90","","6540","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-[4-methylpiperdinemethyl]-2-[4-bromophenyl]- 6-methyl-8-trifluromethylimidazo[1,2-a][1,8]naphthyridinium picrate","","- C31 H27 Br F3 N7 O7 -","- C31 H27 Br F3 N7 O7 -","- C248 H216 Br8 F24 N56 O56 -","8","2","SG6002","Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Krishnan SethuSankar; Jan Fraanje; Rene Peschar; Kandasamy Sivakumar","1-(4-Methylpiperdinemethyl)-2-(4-bromophenyl)-6-methyl-8-trifluoromethylimidazo[1,2-<i>a</i>][1,8]naphthyridinium picrate","Acta Crystallographica Section E","2005","61","5","o1377","o1380","10.1107/S160053680501144X","","","1.54178","CuKα","","0.1594","0.0811","","","0.1918","0.2568","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205799","7.7118","0.0004","9.1503","0.0004","11.6969","0.0006","100.192","0.003","95.379","0.002","101.908","0.003","787.58","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","carbamazepine N,N-dimethylformamide solvate","carbamazepine N,N-dimethylformamide solvate","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C36 H38 N6 O4 -","2","1","SG6004","Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.","Carbamazepine <i>N,N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2005","61","5","o1509","o1511","10.1107/S1600536805012535","","","0.71073","MoKα","","0.0781","0.0477","","","0.1029","0.1167","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205800","11.887","0.002","11.775","0.002","19.293","0.003","90","","92.171","0.002","90","","2698.5","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Cl4 N4 O10 Sn2 -","- C52 H52 Cl4 N4 O10 Sn2 -","- C104 H104 Cl8 N8 O20 Sn4 -","2","0.5","SG6005","Min Hong; Handong Yin; Daqi Wang; Gang Li","Bis(3-chlorobenzyl)tin(IV) ester of pyruvic acid 4-hydroxybenzoylhydrazone","Acta Crystallographica Section E","2005","61","5","m1006","m1008","10.1107/S1600536805012663","","","0.71073","MoKα","","0.043","0.0295","","","0.0718","0.0825","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205801","6.692","0.0013","7.647","0.0015","12.997","0.003","83.72","0.03","77.11","0.03","80.69","0.03","637.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(3-nitrobenzoato)bis(3-pyridylmethanol-N,O)copper(II) complex","","- C26 H22 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","1","0.5","SJ6056","Petra Stachová; Dušan Valigura; Marian Koman; Glowiak Tadeus","<i>catena</i>-Poly[[bis(2-nitrobenzoato-κ<i>O</i>)copper(II)]di-μ-3-pyridylmethanol-κ^2^<i>N</i>,<i>O</i>;κ^2^<i>O</i>:<i>N</i>]","Acta Crystallographica Section E","2005","61","5","m994","m996","10.1107/S1600536805011608","","","0.71073","MoKα","","0.0259","0.0247","","0.0656","","0.0649","","","1.086","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205802","7.726","0.0003","11.7276","0.0005","14.6536","0.0008","90","","90","","90","","1327.73","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(5-Indanyloxy)phthalonitrile","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","SJ6060","Yazıcı, Serap; Akdemir, Nesuhi; Aǧar, Erbil; Özil, Musa; Şenel, İsmet","4-(5-Indanyloxy)phthalonitrile","Acta Crystallographica Section E","2005","61","5","o1304","o1305","10.1107/S1600536805010330","","","0.71073","MoKα","","0.0385","0.0345","","","0.0861","0.0878","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205803","8.37","0.002","11.847","0.003","14.825","0.004","90","","93.096","0.005","90","","1467.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Oxocrebanine","8H-Benzo[g][1,3]benzodioxolo[6,5,4-de]quinolin-8-one","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C76 H52 N4 O20 -","4","1","SJ6062","Din, Laily Bin; Abdullah, Aryanti; Yamin, Bohari M.","8<i>H</i>-Benzo[<i>g</i>][1,3]benzodioxolo[6,5,4-<i>de</i>]quinolin-8-one (oxocrebanine)","Acta Crystallographica Section E","2005","61","5","o1450","o1452","10.1107/S1600536805012195","","","0.71073","MoKα","","0.0691","0.0507","","","0.1321","0.1436","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205804","11.6831","0.0013","11.8477","0.0013","12.9212","0.0014","111.911","0.002","111.296","0.002","92.437","0.002","1512.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(E)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","2","SJ6064","J. Radha Krishna; N. Jagadeesh Kumar; M. Krishnaiah; C. Venkata Rao; Y. Koteswara Rao; Vedavati G. Puranik","(<i>E</i>)-1-(2-Hydroxy-3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","5","o1323","o1325","10.1107/S1600536805010731","","","0.71073","MoKα","","0.047","0.0427","","","0.1131","0.1178","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205805","10.5756","0.0006","10.5907","0.0006","14.4795","0.0008","90","","107.548","0.001","90","","1546.28","0.15","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O4 -","- C21 H14 O4 -","- C84 H56 O16 -","4","1","SJ6065","Zhi-Peng Chen; Duan-Ming Tan; Cheng-Yong Su; Zun-Le Xu","2,3-Epoxy-13c-methoxy-1,13c-dihydrodibenzo[<i>a</i>,<i>kl</i>]xanthan-1-one","Acta Crystallographica Section E","2005","61","5","o1308","o1309","10.1107/S1600536805010378","","","0.71073","MoKα","","","0.0443","","","","0.1368","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205806","5.207","0.0005","14.0918","0.0018","18.1737","0.0018","90","","90","","90","","1333.5","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-methoxy-6-[(2-trifluoromethylphenylimino)methyl]phenol","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C60 H48 F12 N4 O8 -","4","1","SJ6066","Şahin, Onur; Büyükgüngör, Orhan; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa","(<i>E</i>)-2-Methoxy-6-[(2-trifluoromethylphenylimino)methyl]phenol","Acta Crystallographica Section E","2005","61","5","o1288","o1290","10.1107/S1600536805010342","","","0.71073","MoKα","","0.0779","0.0537","","","0.1146","0.1231","","","","","","0.891","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205807","14.5546","0.0006","11.5095","0.0004","13.9115","0.0006","90","","90.487","0.002","90","","2330.32","0.16","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cu N2 O14 -","- C22 H18 Cu N2 O14 -","- C88 H72 Cu4 N8 O56 -","4","0.5","SJ6068","Lei Wang; Dong-Hui Zhou; Jing-Ping Zhang","<i>catena</i>-Poly[[[bis(2-pyridinecarboxylato-κ^2^<i>N</i>,<i>O</i>)copper(II)]-μ-benzene-1,2,4,5-tetracarboxylic acid] dihydrate]","Acta Crystallographica Section E","2005","61","5","m958","m960","10.1107/S1600536805011979","","","0.71073","MoKα","","0.0369","0.0274","","","0.0699","0.0722","","","","","","0.951","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205808","7.4713","0.0012","7.7792","0.0007","13.3329","0.0012","85.785","0.006","86.057","0.009","82.954","0.009","765.59","0.16","296","2","296","1","","","","","","","","5","P -1","-P 1","2","","Dichlorobis(1H-benzimidazole-κN^3^)cobalt(II)","","- C14 H12 Cl2 Co N4 -","- C14 H12 Cl2 Co N4 -","- C28 H24 Cl4 Co2 N8 -","2","1","SJ6069","Yoe-Reyes, Francisco-Javier; Bernès, Sylvain; Barba-Behrens, Noráh","Dichlorobis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)","Acta Crystallographica Section E","2005","61","5","m875","m877","10.1107/S1600536805010718","","","0.71073","MoKα","","0.0467","0.0366","","","0.0917","0.0971","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205809","6.9836","0.0014","15.597","0.003","17.506","0.004","90","","90","","90","","1906.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Catena-poly[aqua(2,2'-bipyridine)copper(II)-μ-benzene-1,4-dioxyacetato]","","- C20 H18 Cu N2 O7 -","- C20 H18 Cu N2 O7 -","- C80 H72 Cu4 N8 O28 -","4","1","SJ6070","Gao, Shan; Huo, Li-Hua; Liu, Ji-Wei; Zhao, Hui","Catena-poly[aqua(2,2'-bipyridine)copper(II)-μ-benzene-1,4-dioxyacetato]","Acta Crystallographica Section E","2005","61","5","m895","m897","10.1107/S1600536805011372","","","0.71073","MoKα","","0.098","0.058","","","0.078","0.086","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205810","7.368","0.013","8.368","0.014","12.07","0.02","88.59","0.03","88.38","0.03","69.92","0.03","699","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(aqua)bis(benzimidazole-κN)bis(5-fluorouracil-1-acetate-κO)cobalt(II)","","- C26 H24 Co F2 N8 O10 -","- C26 H24 Co F2 N8 O10 -","- C26 H24 Co F2 N8 O10 -","1","0.5","SJ6071","Mao-Lin Hu; Nan-Wen Zhu; Hong-Ping Xiao","Bis(aqua)bis(benzimidazole-κ<i>N</i>)bis(5-fluorouracil-1-acetate-κ<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2005","61","5","m898","m900","10.1107/S1600536805011323","","","0.71073","MoKα","","0.0585","0.0538","","","0.1378","0.1423","","","","","","1.062","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205811","12.686","0.002","8.588","0.001","15.422","0.003","90","","108","0.01","90","","1598","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","SJ6072","Wu, Hui; Xu, Zhou; Liang, Yong-Min","(<i>E</i>)-1-(2-Hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","5","o1434","o1435","10.1107/S1600536805011761","","","0.71073","MoKα","","0.1623","0.0398","","","0.0289","0.0354","","","","","","0.799","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205812","21.474","0.011","11.008","0.006","16.044","0.008","90","","90","","90","","3793","3","358","2","85","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","Bis[2,4-bis(2-pyridyl-κN)-6-(4-pyridyl)-1,3,5-triazine-κN^3^]ruthenium(II) bis(hexafluorophosphate)","","- C36 H24 F12 N12 P2 Ru -","- C36 H24 F12 N12 P2 Ru -","- C144 H96 F48 N48 P8 Ru4 -","4","0.5","SJ6074","Hartshorn, Richard M.; Zibaseresht, Ramin; Robinson, Ward T.","Bis[2,4-bis(2-pyridyl-κ<i>N</i>)-6-(4-pyridyl)-1,3,5-triazine-κ<i>N</i>^3^]ruthenium(II) bis(hexafluorophosphate)","Acta Crystallographica Section E","2005","61","5","m981","m983","10.1107/S1600536805012420","","","0.71073","MoKα","","0.0797","0.0584","","","0.1295","0.1373","","","","","","1.156","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205813","41.91","0.02","3.952","0.003","28.84","0.013","90","","126.87","0.04","90","","3821","4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Pyridine (2‒aniline‒N‒[‒(2‒oxyphenyl)methylene]‒2‒oxoethanehydrazonethionic acid)Ni(II)]","","- C20 H16 N4 Ni O2 S -","- C20 H16 N4 Ni O2 S -","- C160 H128 N32 Ni8 O16 S8 -","8","1","SU6171","Vladimir N. Yarovenko; Alexander V. Shirokov; Pavel A. Kondrashev; Victor B. Rybakov; Igor V. Zavarzin; Mikhail M. Krayushkin","{<i>N</i>-Anilino-2-[(2-oxidophenyl)methylenehydrazono]-2-sulfidoacetamide}pyridinenickel(II)","Acta Crystallographica Section E","2005","61","5","m964","m966","10.1107/S1600536805012134","","","0.71073","MoKα","","0.1081","0.0444","","","0.0673","0.0845","","","","","","0.968","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205814","5.18","0.0004","16.56","0.0014","10.2271","0.0008","90","","104.02","0.006","90","","851.16","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Acetyl-3-amino-1-benzofuran","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","SU6184","Ocak Ískeleli, Nazan; Kazak, Canan; Kırılmış, Cumhur; Koca, Murat","2-Acetyl-3-amino-1-benzofuran","Acta Crystallographica Section E","2005","61","5","o1212","o1213","10.1107/S1600536805009712","","","0.71073","MoKα","","0.0497","0.0353","","","0.0987","0.1028","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205815","8.8508","0.001","10.7516","0.0012","12.7592","0.0015","114.218","0.002","95.77","0.002","94.022","0.002","1093.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aquachloro[5-hydroxyisophthalato(1-)](1,10-phenanthroline)copper(II) 2.5-hydrate","","- C20 H20 Cl Cu N2 O8.5 -","- C20 H20 Cl Cu N2 O8.5 -","- C40 H40 Cl2 Cu2 N4 O17 -","2","1","SU6185","Hong-Ping Xiao; Wei-Dong Wang; Wei-Bing Zhang; Jia-Guo Wang","Aquachloro[5-hydroxyisophthalato(1{-})](1,10-phenanthroline)copper(II) 2.5-hydrate","Acta Crystallographica Section E","2005","61","5","m841","m843","10.1107/S1600536805009724","","","0.71073","MoKα","","0.0562","0.05","","","0.152","0.1557","","","","","","1.132","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2205816","9.807","0.007","9.193","0.006","26.607","0.017","90","","90","","90","","2399","3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-chloro-4,4'-dimethoxybiphenyl","","- C14 H13 Cl O2 -","- C14 H13 Cl O2 -","- C112 H104 Cl8 O16 -","8","1","TK6213","Ting-Feng, Tan; Jian-Xin, Zhang; Ji-Ben, Meng","An asymmetric biphenyl compound: 3-chloro-4,4'-dimethoxybiphenyl","Acta Crystallographica Section E","2005","61","5","o1210","o1211","10.1107/S1600536805009323","","","0.71073","MoKα","","0.114","0.063","","","0.109","0.131","","","","","","1.07","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205817","11.586","0.0012","11.82","0.0011","12.652","0.0013","96.5","0.003","107.03","0.002","101.69","0.004","1594.5","0.3","299","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H78 N8 Ni3 O14 -","- C52 H78 N8 Ni3 O14 -","- C52 H78 N8 Ni3 O14 -","1","0.5","TK6216","Arıcı, Cengiz; Yüzer, Devrim; Atakol, Orhan; Fuess, Hartmut; Svoboda, Ingrid","A linear homotrinuclear nickel(II) complex with a reduced ONNO-type Schiff base","Acta Crystallographica Section E","2005","61","5","m919","m921","10.1107/S1600536805011396","","","0.71073","MoKα","","","0.05","","","","0.129","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205818","9.4122","0.0001","12.1852","0.0002","17.5851","0.0002","90","","105.44","0.0006","90","","1944.04","0.04","293","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrakis(μ-6-ammoniohexanoato-1kO:2κO')bis[chlorocopper(II)] dichloride tetrahydrate","","- C24 H60 Cl4 Cu2 N4 O12 -","- C24 H60 Cl4 Cu2 N4 O12 -","- C48 H120 Cl8 Cu4 N8 O24 -","2","0.5","TK6218","Lah, Nina; Leban, Ivan","Tetrakis(μ-6-ammoniohexanoato-1κ<i>O</i>:2κ<i>O</i>')bis[chlorocopper(II)] dichloride tetrahydrate","Acta Crystallographica Section E","2005","61","5","m835","m837","10.1107/S1600536805009992","","","0.71073","MoKα","","0.066","0.036","","","0.074","0.083","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205819","13.3335","0.0009","12.1528","0.0008","9.621","0.0006","90","","90","","90","","1558.98","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl N O4 -","- C12 H28 Cl N O4 -","- C48 H112 Cl4 N4 O16 -","4","1","TK6220","Fujihara, Takashi; Kato, Masaru; Nagasawa, Akira","Tetra-<i>n</i>-propylammonium perchlorate","Acta Crystallographica Section E","2005","61","5","o1439","o1440","10.1107/S1600536805012006","","","0.71073","MoKα","","0.067","0.049","","","0.102","0.108","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205820","8.7325","0.0011","9.0677","0.0012","13.6287","0.0017","98.41","0.002","108.229","0.002","102.689","0.002","972.7","0.2","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","Methyl 1-hydroxy-2-naphthoate","","- C12 H10 O3 -","- C12 H10 O3 -","- C48 H40 O12 -","4","2","TK6222","Jin, Long-Fei; Xiao, Feng-Ping","Methyl 1-hydroxy-2-naphthoate","Acta Crystallographica Section E","2005","61","5","o1520","o1522","10.1107/S1600536805012626","","","0.71073","MoKα","","0.106","0.068","","","0.179","0.216","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205821","10.236","0.002","12.937","0.002","13.614","0.002","62.419","0.002","88.218","0.002","84.286","0.002","1589.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Carbamazepine‒2,2,2-trifluoroethanol (1/1)","5H-dibenzo[b,f]azepine-5-carboxamide‒2,2,2-trifluoroethanol (1/1)","","- C17 H15 F3 N2 O2 -","- C17 H15 F3 N2 O2 -","- C68 H60 F12 N8 O8 -","4","2","WK6047","Lohani, Sachin; Zhang, Yuegang; Chyall, Leonard J.; Mougin-Andres, Patricia; Muller, Francis X.; Grant, David J. W.","Carbamazepine‒2,2,2-trifluoroethanol (1/1)","Acta Crystallographica, Section E","2005","61","5","o1312","o1310","10.1107/S1600536805010299","","","0.71073","MoKα","","0.0682","0.0464","","","0.1217","0.1403","","","","","","1.052","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2205822","9.9708","0.0005","13.0403","0.0007","19.3556","0.001","103.383","0.001","99.003","0.001","98.203","0.001","2375.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","μ-oxalato-1κ^2^O,O':2κ^2^O'',O'''tetrakis(phenylpyridine-κ^2^C,N)\- diiridium(III) acetone 1.974 solvate","","- C51.92 H43.85 Ir2 N4 O5.97 -","- C51.922 H43.844 Ir2 N4 O5.974 -","- C103.844 H87.688 Ir4 N8 O11.948 -","2","1","WM6056","DeRosa, Maria C.; Enright, Gary D.; Evans, Christopher E. B.; Crutchley, Robert J.","The photodecomposition product μ-oxalato-1κ^2^<i>O</i>,<i>O</i>':2κ^2^<i>O</i>'',<i>O</i>'''-bis{bis[2-(2-pyridyl)phenyl-κ^2^<i>C</i>,<i>N</i>]iridium(III)}‒acetone (1/1.974)","Acta Crystallographica Section E","2005","61","5","m967","m969","10.1107/S1600536805008809","","","0.71073","MoKα","","0.0628","0.0397","","","0.087","0.098","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205823","14.394","0.003","8.0685","0.0018","20.505","0.005","90","","90.53","0.004","90","","2381.3","0.9","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ammonium antimony iodide","Triammonium nonaiododiantimonate(III)","","- H12 I9 N3 Sb2 -","- I9 N3 Sb2 -","- I36 N12 Sb8 -","4","1","WM6059","Zhang, Hui; Fang, Liang; Yuan, Run-Zhang","Triammonium nonaiododiantimonate(III), (NH~4~)~3~[Sb~2~I~9~]","Acta Crystallographica Section E","2005","61","5","i70","i72","10.1107/S1600536805011098","","","0.71073","MoKα","","0.0735","0.0406","","","0.0787","0.0892","","","","","","1.009","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205824","10.188","0.002","10.188","0.002","10.188","0.002","90","","90","","90","","1057.5","0.4","295","2","295","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Ammonium manganese sulfate","Diammonium dimanganese(II) trissulfate(IV)","","- H8 Mn2 N2 O12 S3 -","- H8 Mn2 N2 O12 S3 -","- H32 Mn8 N8 O48 S12 -","4","0.333333","WM6061","Zhang, Xian-Ming; Hao, Zheng-Ming; Ng, Seik Weng","Langbeinite-type (NH~4~)~2~Mn~2~(SO~4~)~3~","Acta Crystallographica, Section E","2005","61","5","i82","i83","10.1107/S1600536805011736","","","0.71073","MoKα","","0.035","0.03","","","0.069","0.071","","","","","","1.05","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2205825","7.868","0.005","15.258","0.007","8.052","0.006","90","","90","","90","","966.6","1","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Ce20 Au1.72 Ge14.28","Pentacerium gold tetragermanium","","- Au0.43 Ce5 Ge3.58 -","- Au0.429 Ce5 Ge3.571 -","- Au1.716 Ce20 Ge14.284 -","4","0.5","WM6062","Bobev, Svilen; Bauer, Eric D.","Ce~5~Au~<i>x~</i>Ge~4{-~<i>x</i>} [<i>x</i> = 0.43(2)] with the orthorhombic Sm~5~Ge~4~ structure type","Acta Crystallographica Section E","2005","61","5","i73","i75","10.1107/S160053680501113X","","","0.71073","MoKα","","0.0317","0.0282","","","0.0545","0.0555","","","","","","1.101","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205826","8.1395","0.0009","6.9394","0.0008","6.6014","0.0007","90","","90","","90","","372.87","0.07","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","silver cadmium gallium sulfide","silver dicadmium(II) gallium tetrasulfide","","- Ag Cd2 Ga S4 -","- Ag Cd2 Ga S4 -","- Ag2 Cd4 Ga2 S8 -","2","0.5","WM6063","Pervukhina, Natalie V.; Atuchin, Viktor V.; Parasyuk, Oleg V.","Redetermination of the quaternary phase silver dicadmium gallium tetrasulfide, AgCd~2~GaS~4~","Acta Crystallographica Section E","2005","61","5","i91","i93","10.1107/S1600536805012341","","","0.71073","MoKα","","0.0472","0.0376","","","0.108","0.1133","","","","","","1.077","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205827","6.7964","0.0003","6.7964","0.0003","24.7282","0.0014","90","","90","","90","","1142.22","0.1","153","2","153","2","","","","","","","","3","P 41","P 4w","76","Cerium disilicate","Dicerium disilicate","","- Ce4 O14 Si4 -","- Ce4 O14 Si4 -","- Ce16 O56 Si16 -","4","1","WM6067","Bin Deng; James A. Ibers","Dicerium disilicate, Ce~2~[Si~2~O~7~]","Acta Crystallographica Section E","2005","61","5","i76","i78","10.1107/S1600536805011049","","","0.71073","MoKα","","0.0258","0.0243","","","0.0548","0.0554","","","","","","1.153","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205828","10.1565","0.0011","18.879","0.002","14.2904","0.0015","90","","107.548","0.002","90","","2612.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-Ethyl 3-(4-methoxyphenyl)-2-[(triphenylphosphoranylidene)amino]prop- 2-enoate","","- C30 H28 N O3 P -","- C30 H28 N O3 P -","- C120 H112 N4 O12 P4 -","4","1","WN6341","Ding, Jin-Chang; Huang, Xiao-Bo; Wu, Hua-Yue; Liu, Miao-Chang; Hu, Mao-Lin","(<i>Z</i>)-Ethyl 3-(4-methoxyphenyl)-2-[(triphenylphosphoranylidene)amino]prop-2-enoate","Acta Crystallographica Section E","2005","61","5","o1259","o1260","10.1107/S1600536805010275","","","0.71073","MoKα","","0.0858","0.0661","","","0.1427","0.153","","","","","","1.119","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205829","14.158","0.009","11.075","0.007","17.877","0.001","90","","108.776","0.001","90","","2654","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-morpholinyl{2-[1-(2-pyridinyl)ethylidene]diazan-2-iumylidene}methanethiolate","4-morpholinyl{2-[1-(2-pyridinyl)ethylidene]diazan-2-iumylidene}methanethiolate","","- C12 H16 N4 O S -","- C12 H16 N4 O S -","- C96 H128 N32 O8 S8 -","8","2","WN6344","Hoong-Kun Fun; Suchada Chantrapromma; V. Suni; A. Sreekanth; S. Sivakumar; M. R. Prathapachandra Kurup","4-Morpholinyl{2-[1-(2-pyridinyl)ethylidene]diazan-2-iumylidene}methanethiolate","Acta Crystallographica Section E","2005","61","5","o1337","o1339","10.1107/S1600536805010974","","","0.71073","MoKα","","0.0658","0.0442","","","0.1091","0.1249","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205830","19.7026","0.0015","11.2427","0.0008","12.2043","0.0009","90","","124.45","0.001","90","","2229.3","0.3","283","2","283","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 4,6-dichlorochroman-2-carboxylate","","- C11 H10 Cl2 O3 -","- C11 H10 Cl2 O3 -","- C88 H80 Cl16 O24 -","8","1","WN6345","Wei Huang; Zhongzhen Zhou; Peiliang Zhao; Qiong Chen; Deyou Teng; Guangfu Yang","Methyl 4,6-dichlorochroman-2-carboxylate","Acta Crystallographica Section E","2005","61","5","o1273","o1275","10.1107/S1600536805010421","","","0.71073","MoKα","","0.0358","0.0328","","","0.0888","0.0915","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205831","9.3158","0.0013","6.4393","0.0009","17.399","0.002","90","","92.022","0.002","90","","1043.1","0.2","283","2","283","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,4-Dihydroxyphenyl)-N,N-dimethyl-2-oxoacetamide","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","WN6346","Wei Huang; Peiliang Zhao; Zhongzhen Zhou; Qiong Chen; Deyou Teng; Guangfu Yang","2-(2,4-Dihydroxyphenyl)-<i>N,N</i>-dimethyl-2-oxoacetamide","Acta Crystallographica Section E","2005","61","5","o1505","o1506","10.1107/S1600536805012699","","","0.71073","MoKα","","0.0661","0.0493","","","0.1356","0.1483","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205832","7.133","0.003","22.536","0.008","7.056","0.003","90","","90","","90","","1134.2","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H16 Cu N10 O2 -","- C4 H16 Cu N10 O2 -","- C16 H64 Cu4 N40 O8 -","4","0.5","WN6348","Su, Ying-Lan; Lu, Li-Ping; Li, Xue-Mei; Zhu, Miao-Li","Bis(biguanido-κ^2^<i>N</i>,<i>N</i>')copper(II) dihydrate","Acta Crystallographica Section E","2005","61","5","m910","m912","10.1107/S160053680501127X","","","0.71073","MoKα","","0.0465","0.0403","","","0.0923","0.096","","","","","","1.195","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205833","6.2128","0.0007","10.0405","0.0011","17.4701","0.0019","90","","90","","90","","1089.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 3,5-dinitro salicylate","","- C9 H8 N2 O7 -","- C9 H8 N2 O7 -","- C36 H32 N8 O28 -","4","1","WW6364","Jin, Long-Fei; Xiao, Feng-Ping","Ethyl 3,5-dinitrosalicylate","Acta Crystallographica Section E","2005","61","5","o1263","o1264","10.1107/S160053680501041X","","","0.71073","MoKα","","0.0699","0.0501","","","0.1164","0.1264","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205834","22.162","0.006","5.8941","0.0017","9.743","0.003","90","","91.12","0.004","90","","1272.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Morpholinomethyl-2-naphthol","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","WW6372","Ma, Shan-Shan; Zhang, Ming-Jie; Yuan, Dong-Yan; Qi, Zhao-Bin","1-Morpholinomethyl-2-naphthol","Acta Crystallographica Section E","2005","61","5","o1370","o1371","10.1107/S1600536805011384","","","0.71073","MoKα","","0.0778","0.0456","","","0.1189","0.1318","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205835","15.721","0.004","12.082","0.003","21.386","0.006","90","","104.346","0.006","90","","3935.4","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(3,4-Methylenedioxyphenyl)-1-(2-furyl)-3-(p-toluenesulfonylamino) propan-1-one","","- C21 H19 N O6 S -","- C21 H19 N O6 S -","- C168 H152 N8 O48 S8 -","8","2","WW6374","Yu, Zhifang; Liu, Yi; Gu, Xiuyan; Zhao, Bing","3-(3,4-Methylenedioxyphenyl)-1-(2-furyl)-3-(<i>p</i>-toluenesulfonylamino)propan-1-one","Acta Crystallographica Section E","2005","61","5","o1333","o1334","10.1107/S1600536805010779","","","0.71073","MoKα","","0.1314","0.0607","","","0.1478","0.1954","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2205836","7.235","0.0014","9.56","0.0019","15.454","0.003","90","","97.03","0.03","90","","1060.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[3-(Methoxyl)phenyl]-5-chloromethyl-1,2,4-oxadiazole","","- C10 H9 Cl N2 O2 -","- C10 H9 Cl N2 O2 -","- C40 H36 Cl4 N8 O8 -","4","1","WW6385","Wang, Hai-Bo; Pu, Yue-Qing; Chen, Jia-Hui; Wang, Jin-Tang","5-Chloromethyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole","Acta Crystallographica Section E","2005","61","5","o1446","o1447","10.1107/S1600536805012067","","","0.71073","MoKα","","0.1908","0.0692","","","0.1678","0.2311","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205837","26.167","0.006","14.15","0.004","32.116","0.007","90","","97.91","0.02","90","","11778","5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[μ-bis(4-nitrophenyl) phosphato-κ^2^O:O']bis{[bis(2-pyridylmethyl)amine- κ^3^N,N',N''']copper(II)} diperchlorate acetonitrile hemisolvate","","- C49 H41.5 Cl2 Cu2 N10.5 O24 P2 -","- C49 H41.5 Cl2 Cu2 N10.5 O24 P2 -","- C392 H332 Cl16 Cu16 N84 O192 P16 -","8","1","XU6000","Butcher, Ray J.; Gultneh, Yilma; Allwar","Bis[μ-bis(4-nitrophenyl)phosphato-κ^2^<i>O</i>:<i>O</i>']bis{[bis(2-pyridylmethyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''']copper(II)} diperchlorate acetonitrile hemisolvate","Acta Crystallographica Section E","2005","61","5","m818","m821","10.1107/S160053680500992X","","","0.71073","MoKα","","0.16","0.065","","","0.128","0.168","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2205838","7.165","0.002","9.709","0.003","13.999","0.005","92.878","0.005","102.008","0.004","102.174","0.005","926.6","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","Bis[1-ferrocenyl-3-(2,6-dimethylphenyl)aminobut-2-en-1-onato]nickel(II)","","- C44 H44 Fe2 N2 Ni O2 -","- C44 H44 Fe2 N2 Ni O2 -","- C44 H44 Fe2 N2 Ni O2 -","1","0.5","XU6001","Shi, Yao-Cheng","Bis[1-ferrocenyl-3-(2,6-dimethylphenyl)aminobut-2-en-1-onato]nickel(II)","Acta Crystallographica Section E","2005","61","5","m873","m874","10.1107/S1600536805010962","","","0.71073","MoKα","","0.048","0.033","","","0.076","0.091","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205839","9.8745","0.0007","17.3467","0.0011","21.7544","0.0014","90","","90","","90","","3726.3","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[(1,10-phenanthroline)(μ~4~-4-sulfonatobenzoato)lead(II) hydrate]","","- C19 H14 N2 O6 Pb S -","- C19 H12 N2 O6 Pb S -","- C152 H96 N16 O48 Pb8 S8 -","8","1","XU6002","Zhang, Li-Ping; Zhu, Long-Guan; Xiao, Hong-Ping","Poly[(1,10-phenanthroline-κ^2^<i>N,N</i>')lead(II) μ~4~-(4-sulfonatobenzoato-κ^4^<i>O,O</i>':O'',<i>O</i>''' hydrate]","Acta Crystallographica Section E","2005","61","5","m860","m862","10.1107/S1600536805010925","","","0.71073","MoKα","","0.047","0.032","","","0.066","0.071","","","","","","1.012","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2205840","14.949","0.004","13.366","0.002","7.324","0.008","90","","101.214","0.008","90","","1435.5","1.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2-hydroxy-4-isopropoxyphenyl)-2-phenylethanone","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","YA6236","Zhang, Shu-Ping; Wang, Xiao-Bing; Zhang, Zun-Ting","1-(2-Hydroxy-4-isopropoxyphenyl)-2-phenylethanone","Acta Crystallographica Section E","2005","61","5","o1257","o1258","10.1107/S1600536805010408","","","0.71073","MoKα","","0.099","0.046","","","0.081","0.096","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205841","7.7657","0.0019","27.655","0.006","9.902","0.002","90","","102.526","0.004","90","","2075.9","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N'-bis{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-5- yl}-1,4-benzenediamide bis(dimethylformamide) solvate","","- C36 H26 Cl4 F6 N10 O4 -","- C36 H26 Cl4 F6 N10 O4 -","- C72 H52 Cl8 F12 N20 O8 -","2","0.5","YA6241","Chen, Di-Mei; Zhong, Ping; Yang, Zhi-Ping; Hu, Mao-Lin","<i>N</i>,<i>N</i>'-Bis{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazol-5-yl}-1,4-benzenediamide dimethylformamide disolvate<i></i>","Acta Crystallographica Section E","2005","61","5","o1362","o1363","10.1107/S1600536805011153","","","0.71073","MoKα","","0.145","0.098","","","0.268","0.248","","","","","","1.18","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205842","12.3011","0.0017","12.3846","0.0013","14.187","0.002","90","","114.338","0.011","90","","1969.2","0.5","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 O4 S7 -","- C15 H10 O4 S7 -","- C60 H40 O16 S28 -","4","1","YA6243","Wang, Yan-Ling; Yu, Wen-Tao; Xu, Dong; Wang, Xin-Qiang; Zhang, Guang-Hui; Feng, Lin","4,5-Bis(phenylsulfonylthio)-1,3-dithiolane-2-thione","Acta Crystallographica Section E","2005","61","5","o1432","o1433","10.1107/S1600536805011876","","","0.71073","MoKα","","0.171","0.066","","","0.124","0.185","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205843","10.2012","0.0006","26.7355","0.0015","11.0576","0.0006","90","","107.65","0.0009","90","","2873.8","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrakis(trimethylsilyl) isocyanatomethylenebisphosphonate","","- C14 H37 N O7 P2 Si4 -","- C14 H37 N O7 P2 Si4 -","- C56 H148 N4 O28 P8 Si16 -","4","1","AC6169","Petrov, Petar Y.; McDonald, Robert; Lukowski, Robert D.; Cavell, Ronald G.; Angelov, Christo M.","Tetrakis(trimethylsilyl) isocyanatomethylenebisphosphonate","Acta Crystallographica Section E","2005","61","6","o1549","o1551","10.1107/S1600536805013735","","","0.71073","MoKα","","0.0417","0.0352","","","0.0969","0.1023","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205844","9.071","0.0003","10.0861","0.0005","10.1864","0.0003","100.147","0.001","115.39","0.001","108.728","0.001","741.78","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tetraamminehydroxonitrosylruthenium(III) tetranitropalladate(II) monohydrate","","- H15 N9 O11 Pd Ru -","- H15 N9 O11 Pd Ru -","- H30 N18 O22 Pd2 Ru2 -","2","1","AC6171","Il'in, Maxim A.; Kuratieva, Natalia V.; Kirichenko, Olga A.; Baidina, Iraida A.; Naumov, Dmirty Yu.; Korolkow, Ilya V.; Emel'yanov, Vyacheslav A.","Tetraamminehydroxonitrosylruthenium(III) tetranitropalladate(II) monohydrate","Acta Crystallographica Section E","2005","61","6","i126","i128","10.1107/S1600536805016673","","","0.71073","MoKα","","0.0194","0.0175","","","0.0442","0.0449","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205845","8.274","0.003","9.125","0.002","10.623","0.002","76.31","0.02","81.34","0.02","66.51","0.03","713.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Methoxy-6-methyl-3-nitro-4-(2-nitroprop-1-enyl)phenyl acetate","","- C13 H14 N2 O7 -","- C13 H14 N2 O7 -","- C26 H28 N4 O14 -","2","1","AC6172","Evan G. Moore; Paul Meredith; Paul V. Bernhardt","2-Methoxy-6-methyl-3-nitro-4-(2-nitroprop-1-enyl)phenyl acetate","Acta Crystallographica Section E","2005","61","6","o1709","o1711","10.1107/S1600536805014212","","","0.71073","MoKα","","0.1231","0.0464","","","0.1143","0.1435","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205846","7.5119","0.0004","16.9551","0.0009","17.1127","0.0009","90","","90.821","0.001","90","","2179.3","0.2","295","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaqua(benzimidazole)(nitrato-κO)(1,10-phenanthroline)cadmium(II) nitrate","","- C19 H18 Cd N6 O8 -","- C19 H18 Cd N6 O8 -","- C76 H72 Cd4 N24 O32 -","4","1","AC6173","Xiong, Jing; Lei, Xin-Xiang; Ng, Seik Weng","Diaqua(benzimidazole)(nitrato-κ<i>O</i>)(1,10-phenanthroline)cadmium(II) nitrate","Acta Crystallographica Section E","2005","61","6","m1097","m1098","10.1107/S1600536805014388","","","0.71073","MoKα","","0.054","0.046","","","0.132","0.137","","","","","","1.13","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205847","11.1249","0.0006","21.926","0.001","14.6557","0.0007","90","","107.096","0.001","90","","3416.9","0.3","295","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquabis(hexamethylenetetramine-κN)bis(2-hydroxy-trans-cinnamato- κ^2^O,O')cadmium trihydrate","","- C30 H46 Cd N8 O10 -","- C30 H46 Cd N8 O10.004 -","- C120 H184 Cd4 N32 O40.016 -","4","1","AC6174","Cheng, Ya-Qian; Shi, Qian; Dai, Lin-Li; Ng, Seik Weng","Aquabis(hexamethylenetetramine-κ<i>N</i>)bis(2-hydroxy-<i>trans</i>-cinnamato-κ^2^<i>O</i>,<i>O</i>')cadmium trihydrate","Acta Crystallographica Section E","2005","61","6","m1240","m1242","10.1107/S1600536805016545","","","0.71073","MoKα","","0.052","0.042","","","0.098","0.103","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205848","7.294","0.002","8.762","0.002","8.891","0.002","64.87","0.01","70.1","0.01","73.79","0.01","477.6","0.2","174","2","174","2","","","","","","","","4","P -1","-P 1","2","","2,3,5,6-tetrachlorodicyanobenzene‒anthracene (1/1)","","- C22 H10 Cl4 N2 -","- C22 H10 Cl4 N2 -","- C22 H10 Cl4 N2 -","1","0.5","AC6175","Britton, Doyle","2,3,5,6-Tetrachloro-1,4-dicyanobenzene‒anthracene (1/1)","Acta Crystallographica Section E","2005","61","6","o1707","o1708","10.1107/S1600536805014674","","","0.71073","MoKα","","0.056","0.043","","","0.113","0.121","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205849","8.666","0.002","10.125","0.003","4.7776","0.0012","90","","93.98","0.01","90","","418.19","0.19","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,6-Dibromo-4-chlorobenzonitrile","","- C7 H2 Br2 Cl N -","- C7 H2 Br2 Cl N -","- C14 H4 Br4 Cl2 N2 -","2","0.5","AC6176","Britton, Doyle","2,6-Dibromo-4-chlorobenzonitrile","Acta Crystallographica Section E","2005","61","6","o1726","o1727","10.1107/S1600536805014686","","","0.71073","MoKα","","0.023","0.022","","","0.056","0.057","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205850","10.0277","0.0002","7.9202","0.0002","23.2669","0.0006","90","","90.985","0.001","90","","1847.62","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[tetrakis(methylsulfanyl)tetrathiafulvalenium] oxalate dichloride","","- C22 H24 Cl2 O4 S16 -","- C22 H24 Cl2 O4 S16 -","- C44 H48 Cl4 O8 S32 -","2","0.5","AT6006","Lei Wang; Jing-Ping Zhang; Bin Zhang","Bis[tetrakis(methylsulfanyl)tetrathiafulvalenium] oxalate dichloride","Acta Crystallographica Section E","2005","61","6","o1674","o1676","10.1107/S1600536805014121","","","0.71073","MoKα","","0.111","0.039","","","0.081","0.093","","","","","","0.91","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205851","3.8956","0.0003","11.3796","0.0014","18.3249","0.0018","90","","90","","90","","812.35","0.14","296","","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Acetamidobenzonitrile","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C36 H32 N8 O4 -","4","1","AT6007","Burcu Arslan; Canan Kazak; Cumhur Kirilmis; Murat Koca; Orhan Büyükgüngör","2-Acetamidobenzonitrile","Acta Crystallographica Section E","2005","61","6","o1652","o1653","10.1107/S1600536805013152","","","0.71073","MoKα","","0.042","0.032","","","0.077","0.079","","","","","","0.92","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205852","11.314","0.002","7.951","0.0016","19.598","0.004","90","","103.08","0.03","90","","1717.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenylacetate","","- C18 H15 Cl N2 O4 -","- C18 H15 Cl N2 O4 -","- C72 H60 Cl4 N8 O16 -","4","1","AT6008","Wang, Hai-Bo; Pu, Yue-Qing; Chen, Jia-Hui; Wang, Jin-Tang","Methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenylacetate","Acta Crystallographica Section E","2005","61","6","o1858","o1860","10.1107/S1600536805015138","","","0.71073","MoKα","","0.13","0.06","","","0.13","0.15","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205853","5.2868","0.0013","8.5968","0.0011","13.878","0.002","74.39","0.19","89.598","0.018","88.87","0.01","607.4","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-(4-bromophenyl)-2-(2-propenylsulfonyl)ethanone","","- C11 H11 Br O3 S -","- C11 H11 Br O3 S -","- C22 H22 Br2 O6 S2 -","2","1","AT6009","David J. Young; Malcolm D. King; Peter C. Healy","1-(4-Bromophenyl)-2-(2-propenylsulfonyl)ethanone","Acta Crystallographica Section E","2005","61","6","o1668","o1669","10.1107/S1600536805014522","","","0.7107","MoKα","","0.111","0.034","","","0.071","0.088","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205854","8.0593","0.0003","8.4334","0.0003","9.8099","0.0004","111.688","0.002","91.079","0.002","99.634","0.002","608.44","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis(2,2'-dipyridylamine)dimethanolcopper(II) hexafluorosilicate","","- C22 H26 Cu F6 N6 O2 Si -","- C22 H26 Cu F6 N6 O2 Si -","- C22 H26 Cu F6 N6 O2 Si -","1","0.5","BD6002","Casellas, Helene; Pevec, Andrej; Kozlevcar, Bojan; Gamez, Patrick; Reedijk, Jan","Bis(2,2'-dipyridylamine)dimethanolcopper(II) hexafluorosilicate","Acta Crystallographica Section E","2005","61","6","m1120","m1122","10.1107/S1600536805014777","","","0.71073","MoKα","","0.0414","0.0319","","","0.0696","0.0742","","","","","","1.06","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205855","6.0466","0.0018","19.314","0.006","11.452","0.003","90","","91.034","0.004","90","","1337.2","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,4-Dichlorobenzaldehyde (2-hydroxybenzoyl)hydrazone","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C56 H40 Cl8 N8 O8 -","4","1","BD6005","Ma, Jian; Zhang, Shu-Ping; Sheng, Liang-Quan; Fan, Min; Yang, Ya-Li; Shao, Si-Chang","3,4-Dichlorobenzaldehyde (2-hydroxybenzoyl)hydrazone","Acta Crystallographica Section E","2005","61","6","o1747","o1748","10.1107/S1600536805014789","","","0.71073","MoKα","","0.0677","0.0393","","","0.0859","0.1024","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205856","16.823","0.004","7.179","0.002","19.847","0.005","90","","90","","90","","2397","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Allyl-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C104 H120 N8 O32 -","8","1","BH6001","Shishkina, Svetlana V.; Shishkin, Oleg V.; Ukrainets, Igor V.; Kolesnik, Elena V.","1-Allyl-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid","Acta Crystallographica Section E","2005","61","6","o1833","o1835","10.1107/S1600536805015175","","","0.71073","MoKα","","0.1559","0.0471","","","0.1099","0.1322","","","","","","0.846","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205857","13.3944","0.0005","13.6063","0.0006","26.354","0.001","90","","90","","90","","4803","0.3","295","2","295","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","catena-Poly-[[[triaquazinc(II)]-μ-chloro-[aquacucurbit[5]urilpotassium(I)]] tetrachlorozincate(II) pentahydrate]","","- C30 H48 Cl5 K N20 O19 Zn2 -","- C30 H48 Cl5 K N20 O19 Zn2 -","- C120 H192 Cl20 K4 N80 O76 Zn8 -","4","0.5","BH6002","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","<i>catena</i>-Poly[[[triaquazinc(II)]-μ-chloro-[aquacucurbit[5]urilpotassium(I)]] tetrachlorozincate(II) pentahydrate]","Acta Crystallographica Section E","2005","61","6","m1021","m1023","10.1107/S1600536805012845","","","0.71073","MoKα","","0.051","0.044","","","0.128","0.134","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205858","19.531","0.002","25.5","0.002","7.8777","0.0007","90","","104.847","0.002","90","","3792.4","0.6","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Bis(2-aminoethylaminium-κN^2^)bis(dimethylglyoximato-κ^2^N,N')cobalt(III) dichloro(dimethylglyoximato-κ^2^N,N')(dimethylglyoxime-κ^2^N,N')cobalt(III) dichloride 0.75-hydrate","","- C20 H47.5 Cl4 Co2 N12 O8.75 -","- C20 H47.5 Cl4 Co2 N12 O8.75 -","- C80 H190 Cl16 Co8 N48 O35 -","4","0.5","BH6003","Shen, Xu-Jie; Xiao, Li-Ping; Xu, Ru-Ren","Bis(2-aminoethylaminium-κ<i>N</i>^2^)bis(dimethylglyoximato-κ^2^<i>N,N</i>')cobalt(III) dichloro(dimethylglyoximato-κ^2^<i>N,N</i>')(dimethylglyoxime-κ^2^<i>N,N</i>')cobaltate(III) dichloride 0.75-hydrate","Acta Crystallographica Section E","2005","61","6","m1185","m1187","10.1107/S1600536805015552","","","0.71073","MoKα","","0.1067","0.0482","","","0.1261","0.1437","","","","","","1.044","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2205859","10.941","0.003","9.135","0.002","20.013","0.004","90","","103.605","0.004","90","","1944.1","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[aqua(1,10-phenanthroline)manganese(II)]-μ-endo-norbornene- cis-5,6-dicarboxylato] monohydrate]","","- C21 H20 Mn N2 O6 -","- C21 H20 Mn N2 O6 -","- C84 H80 Mn4 N8 O24 -","4","1","BH6004","Mao-Lin Hu; Nan-Wen Zhu","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline)manganese(II)]-μ-<i>endo</i>-norbornene-<i>cis</i>-5,6-dicarboxylato] monohydrate]","Acta Crystallographica Section E","2005","61","6","m1105","m1107","10.1107/S1600536805014017","","","0.71073","MoKα","","0.0481","0.0403","","","0.0947","0.0992","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205860","6.26","0.001","7.248","0.001","9.451","0.002","105.29","0.03","100.19","0.03","106.27","0.03","382.23","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[[bis(4-aminopyrimidine-κN^1^)copper(II)]-di-μ-dicyanamido- κ^4^N^1^:N^3^]","","- C12 H10 Cu N12 -","- C12 H10 Cu N12 -","- C12 H10 Cu N12 -","1","0.5","BH6005","Kožíšek, Jozef; García Díaz, Jesús; Fronc, Marek; Svoboda, Ingrid","<i>catena</i>-Poly[[bis(4-aminopyrimidine-κ<i>N</i>^1^)copper(II)]-di-μ-dicyanamido-κ^4^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section E","2005","61","6","m1150","m1152","10.1107/S160053680501514X","","","0.71073","MoKα","","0.0268","0.0251","","","0.0632","0.0639","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205861","54.925","0.011","5.8189","0.0012","21.628","0.004","90","","98.14","0.03","90","","6843","2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","10-Methoxy-5H-dibenz[b,f]azepine","","- C15 H13 N O -","- C15 H13 N O -","- C360 H312 N24 O24 -","24","6","BH6006","Basavegowda Nagaraj; Hemmige S. Yathirajan; Daniel E. Lynch","10-Methoxy-5<i>H</i>-dibenz[<i>b</i>,<i>f</i>]azepine","Acta Crystallographica Section E","2005","61","6","o1757","o1759","10.1107/S1600536805015059","","","0.71073","MoKα","","0.1101","0.0553","","","0.1242","0.1455","","","","","","1.182","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205862","9.3181","0.0012","11.6211","0.0015","13.9327","0.0018","87.052","0.002","76.227","0.002","77.46","0.002","1430.4","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","(4-Biphenylacetato)tricyclohexyltin(IV)","","- C32 H44 O2 Sn -","- C32 H44 O2 Sn -","- C64 H88 O4 Sn2 -","2","1","BH6007","Lai-Jin Tian; Yu-Xi Sun; Yi-Zhen Gao; Guo-Ming Yang","(4-Biphenylacetato)tricyclohexyltin(IV)","Acta Crystallographica Section E","2005","61","6","m1199","m1200","10.1107/S160053680501617X","","","0.71073","MoKα","","0.0322","0.0301","","","0.0789","0.0807","","","","","","1.051","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205863","7.2499","0.0004","9.4445","0.0006","20.8273","0.0012","90","","93.159","0.001","90","","1423.91","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aqua(nitrato-κ^2^O,O')(1,10-phenanthroline)cadmium(II)]-μ- nitrato-κ^2^O:O']","","- C12 H10 Cd N4 O7 -","- C12 H10 Cd N4 O7 -","- C48 H40 Cd4 N16 O28 -","4","1","BR6190","Mao-Lin Hu; Fan Chen; Shun Wang","<i>catena</i>-Poly[[aqua(nitrato-κ^2^<i>O,O</i>')(1,10-phenanthroline)cadmium(II)]-μ-nitrato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","6","m1058","m1060","10.1107/S1600536805013899","","","0.71073","MoKα","","0.0273","0.0243","","","0.057","0.0585","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205864","11.332","0.005","9.519","0.005","23.514","0.008","90","","94.735","0.003","90","","2527.8","1.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(tetrahydrofuran-κO)lithium(I)]-μ-1,1,3,3- tetraphenyltriphosphane-κ^2^P^1^,P^3^:κP^2^]","","- C28 H28 Li O P3 -","- C28 H28 Li O P3 -","- C112 H112 Li4 O4 P12 -","4","1","BR6191","Wioleta Domanska; Jaroslaw Chojnacki; Jerzy Pikies","<i>catena</i>-Poly[[(tetrahydrofuran-κ<i>O</i>)lithium(I)]-μ-1,1,3,3-tetraphenyltriphosphane-κ^2^<i>P</i>^1^,<i>P</i>^3^:κ<i>P</i>^2^]","Acta Crystallographica Section E","2005","61","6","m1114","m1116","10.1107/S1600536805014613","","","0.71073","MoKα","","0.0741","0.0639","","","0.1325","0.1386","","","","","","1.144","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205865","20.863","0.004","10.7899","0.0019","7.363","0.0013","90","","90","","90","","1657.5","0.5","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Acetonitriledichloro(1,4,7-triazacyclodecane)cobalt(III) perchlorate","","- C9 H20 Cl3 Co N4 O4 -","- C9 H20 Cl3 Co N4 O4 -","- C36 H80 Cl12 Co4 N16 O16 -","4","0.5","BT6641","Guo, Hui; Ren Yan-Wei; Li, Jun; Zhang, Feng-Xing","Acetonitriledichloro(1,4,7-triazacyclodecane)cobalt(III) perchlorate","Acta Crystallographica Section E","2005","61","6","m1080","m1081","10.1107/S1600536805014042","","","0.71073","MoKα","","0.0659","0.0414","","","0.1098","0.1177","","","","","","1.055","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205866","21.382","0.004","7.407","0.0015","13.372","0.003","90","","125.34","0.03","90","","1727.6","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl indole-3-carboxylate","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","1","BT6646","Hu, Shen-Cai; Zhu, Hai-Liang; Hong, Kui; Yu, Zi-Niu; Tan, Ren-Xiang","Methyl indole-3-carboxylate","Acta Crystallographica Section E","2005","61","6","o1654","o1656","10.1107/S1600536805012109","","","0.71073","MoKα","","0.0789","0.0559","","","0.1357","0.152","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205867","13.6953","0.0014","9.0282","0.0015","16.302","0.002","90","","106.983","0.007","90","","1927.7","0.5","291","1","291","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E,E)-α-(Methoxyimino)-2-[({1-[3-(trifluoromethyl)phenyl]ethyl- idene}amino)oxymethyl]benzeneacetic acid","","- C19 H17 F3 N2 O4 -","- C19 H17 F3 N2 O4 -","- C76 H68 F12 N8 O16 -","4","1","BT6649","Banerjee, Kaushik; Ligon, Axel Patrick; Schürmann, Markus; Preut, Hans; Spiteller, Michael","(<i>E,E</i>)-α-(Methoxyimino)-2-[({1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxymethyl]benzeneacetic acid","Acta Crystallographica Section E","2005","61","6","o1528","o1529","10.1107/S1600536805012900","","","0.71073","MoKα","","0.1647","0.0363","","","0.0645","0.0937","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2205868","8.0652","0.0006","8.2977","0.0006","18.409","0.0013","80.057","0.001","84.796","0.001","69.754","0.001","1137.86","0.14","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","4'-(4-Methoxyphenyl)-1-methylchroman-3-spiro-3'-pyrrolidine-2'-spiro-2''- indan-4,1'',3''-trione","","- C28 H23 N O4 -","- C28 H23 N O4 -","- C56 H46 N2 O8 -","2","1","BT6653","S. Selvanayagam; D. Velmurugan; K. Ravikumar; J. Jayashankaran; R. Raghunathan","4'-(4-Methoxyphenyl)-1-methylchroman-3-spiro-3'-pyrrolidine-2'-spiro-2''-indan-4,1'',3''-trione","Acta Crystallographica Section E","2005","61","6","o1582","o1584","10.1107/S1600536805013206","","","0.71073","MoKα","","0.0593","0.0523","","","0.1461","0.1556","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205869","9.5561","0.0006","16.1035","0.0011","15.2631","0.001","90","","91.213","0.01","90","","2348.3","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7'-(4-Methoxyphenyl)-chroman-3-spiro-6'-hexahydro-1H-pyrrolo[1,2-c]thiazole- 5'-spiro-3''-1''H-indole-4,2''(3''H)-dione","","- C28 H24 N2 O4 S -","- C28 H24 N2 O4 S -","- C112 H96 N8 O16 S4 -","4","1","BT6657","S. Selvanayagam; Jasmin Paul; D. Velmurugan; K. Ravikumar; R. Rathna Durga; R. Raghunathan","7'-(4-Methoxyphenyl)chroman-3-spiro-6'-hexahydro-1<i>H</i>-pyrrolo[1,2-<i>c</i>]thiazole-5'-spiro-3''-1''<i>H</i>-indole-4,2''(3''<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","6","o1585","o1587","10.1107/S1600536805013218","","","0.71073","MoKα","","0.054","0.047","","","0.1207","0.1262","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205870","9.2614","0.0009","18.4306","0.0019","9.8602","0.001","90","","99.382","0.002","90","","1660.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-Butyl-N-o-tolyl-benzenesulfonamide","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","1","BT6659","G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; P. Jaisankar; P. C. Srinivasan","<i>N</i>-Butyl-<i>N</i>-<i>o</i>-tolylbenzenesulfonamide","Acta Crystallographica Section E","2005","61","6","o1916","o1918","10.1107/S160053680501562X","","","0.71073","MoKα","","0.0771","0.0611","","","0.1655","0.1794","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205871","7.147","0.0005","11.854","0.0008","15.456","0.001","106.45","0.02","95.17","0.01","91.02","0.02","1249.4","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","L-Leucine L-leucinium picrate","L-Leucine L-leucinium picrate","","- C18 H29 N5 O11 -","- C18 H29 N5 O11 -","- C36 H58 N10 O22 -","2","2","BT6660","K. Anitha; S. Athimoolam; R. K. Rajaram","<small>L</small>-Leucine <small>L</small>-leucinium picrate","Acta Crystallographica Section E","2005","61","6","o1604","o1606","10.1107/S1600536805014030","","","0.71073","MoKα","","0.0719","0.0507","","","0.1353","0.1495","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205872","22.48","0.0014","22.1594","0.0015","7.7029","0.0006","90","","90","","90","","3837.1","0.5","173","1","173","1","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl (Z,E)-α-methoxyimino-α-(1-{[3- (trifluoromethyl)phenyl]ethylideneaminooxymethyl}benzene)acetate","","- C20 H19 F3 N2 O4 -","- C20 H19 F3 N2 O4 -","- C160 H152 F24 N16 O32 -","8","2","BT6661","Banerjee, Kaushik; Ligon, Axel Patrick; Schürmann, Markus; Preut, Hans; Spiteller, Michael","Methyl (<i>Z,E</i>)-α-(methoxyimino)-2-[({1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxymethyl]benzeneacetate","Acta Crystallographica Section E","2005","61","6","o1569","o1570","10.1107/S160053680501336X","","","0.71073","MoKα","","0.0867","0.0329","","","0.0458","0.0502","","","","","","0.864","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205873","7.5713","0.0003","10.9972","0.0004","20.0451","0.0006","90","","101.55","0.002","90","","1635.22","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,E)-2-(4-Methylphenylmethylene)-6-(4-nitrophenylmethylene)cyclohexanone","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","BT6665","Quail, J. Wilson; Doroudi, Alireza; Pati, Hari N.; Das, Umashankar; Dimmock, Jonathan R.","(<i>E,E</i>)-2-(4-Methylphenylmethylene)-6-(4-nitrophenylmethylene)cyclohexanone","Acta Crystallographica Section E","2005","61","6","o1795","o1797","10.1107/S1600536805015102","","","0.71073","MoKα","","0.0815","0.0478","","","0.112","0.1297","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205874","15.5155","0.0007","13.6328","0.0009","7.7777","0.0006","90","","101.344","0.003","90","","1613","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E,E)-2-(4-Fluorophenylmethylene)-6-(4-nitrophenylmethylene)cyclohexanone","","- C20 H16 F N O3 -","- C20 H16 F N O3 -","- C80 H64 F4 N4 O12 -","4","1","BT6666","Quail, J. Wilson; Doroudi, Alireza; Pati, Hari N.; Das, Umashankar; Dimmock, Jonathan R.","(<i>E</i>,<i>E</i>)-2-(4-Fluorophenylmethylene)-6-(4-nitrophenylmethylene)cyclohexanone","Acta Crystallographica Section E","2005","61","6","o1774","o1776","10.1107/S160053680501490X","","","0.71073","MoKα","","0.1125","0.0585","","","0.1137","0.1353","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205875","8.7481","0.0008","19.0068","0.0018","12.494","0.0012","90","","95.891","0.002","90","","2066.4","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(1H-indol-3-ylmethyl)-1,2,3,3a,4,11c- hexahydronaphtho[2',1':2,3]pyrano[4,5-b]pyrrole-2-carboxylate","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","BT6667","S. Karthick; S. Selvanayagam; D. Velmurugan; K. Ravikumar; M. Arumugam; R. Raghunathan","Methyl 2-(1<i>H</i>-indol-3-ylmethyl)-1,2,3,3a,4,11c-hexahydronaphtho[2',1':2,3]pyrano[4,5-<i>b</i>]pyrrole-2-carboxylate","Acta Crystallographica Section E","2005","61","6","o1780","o1782","10.1107/S1600536805015114","","","0.71073","MoKα","","0.0628","0.0504","","","0.1502","0.1623","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205876","8.0256","0.0012","33.58","0.005","8.0957","0.0011","90","","111.566","0.005","90","","2029.1","0.5","291","1","291","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl (E,Z)-α-(methoxyimino)-2-[({1-[3- (trifluoromethyl)phenyl]ethylidene}amino)oxymethyl]benzeneacetate","","- C20 H19 F3 N2 O4 -","- C20 H19 F3 N2 O4 -","- C80 H76 F12 N8 O16 -","4","1","BT6668","Banerjee, Kaushik; Ligon, Axel Patrick; Schürmann, Markus; Preut, Hans; Spiteller, Michael","Methyl (<i>E,Z</i>)-α-(methoxyimino)-2-[({1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxymethyl]benzeneacetate","Acta Crystallographica Section E","2005","61","6","o1752","o1753","10.1107/S1600536805014972","","","0.71073","MoKα","","0.0899","0.0361","","","0.0686","0.0728","","","","","","0.978","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205877","7.7602","0.0011","9.8884","0.0014","13.965","0.002","108.074","0.002","94.933","0.002","109.974","0.002","935.1","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","8,12-Dioxa-1,7,10(1,2)-tribenzenacyclododecaphane-2,5-dien-4-one","","- C25 H20 O3 -","- C25 H20 O3 -","- C50 H40 O6 -","2","1","BT6669","V. Vinodhkumar; S. Selvanayagam; D. Velmurugan; K. Ravikumar; M. Poornachandran; R. Raghunathan","8,12-Dioxa-1,7,10(1,2)-tribenzenacyclododecaphane-2,5-dien-4-one","Acta Crystallographica Section E","2005","61","6","o1839","o1841","10.1107/S1600536805015631","","","0.71073","MoKα","","0.0604","0.0513","","","0.1432","0.1523","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205878","10.006","0.002","10.801","0.002","17.705","0.004","89.63","0.03","83.97","0.03","69.75","0.03","1784.3","0.7","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","33,5,9,12-Tetra-tert-butyl-10,14-dicyclohexyl-2,8- dioxatetracyclo[5.4.0.2^1,9^.1^3,7^]tetradeca-4,12-diene-6,11-dione","","- C40 H62 O4 -","- C40 H62 O4 -","- C80 H124 O8 -","2","1","BT6670","Meindl, Kathrin; Maslovskaya, Lidiya A.; Noltemeyer, Mathias; Savchenko, Andrei I.","3,5,9,12-Tetra-<i>tert</i>-butyl-10,14-dicyclohexyl-2,8-dioxatetracyclo[5.4.0.2^1,9^.1^3,7^]tetradeca-4,12-diene-6,11-dione","Acta Crystallographica Section E","2005","61","6","o1950","o1952","10.1107/S1600536805016582","","","0.71073","MoKα","","0.0666","0.0525","","","0.1293","0.1428","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205879","7.329","0.003","10.168","0.005","10.66","0.005","67.126","0.005","80.663","0.008","71.7","0.008","694.2","0.6","130","2","130","2","","","","","","","","4","P -1","-P 1","2","diethylaminium 3,5-dinitrosalicylate","Diethylaminium 3,5-dinitrosalicylate","","- C11 H15 N3 O7 -","- C11 H15 N3 O7 -","- C22 H30 N6 O14 -","2","1","BT6671","Graham Smith; Urs D. Wermuth; Jonathan M. White","Diethylaminium 3,5-dinitrosalicylate at 130K","Acta Crystallographica Section E","2005","61","6","o1836","o1838","10.1107/S1600536805015199","","","0.71073","MoKα","","0.0757","0.0648","","","0.1868","0.1954","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205880","35.035","0.006","5.8335","0.001","16.049","0.003","90","","116.837","0.002","90","","2926.8","0.9","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(benzotriazolato)di-μ-oxo-lead(II)]","","- C12 H8 N6 O2 Pb2 -","- C12 H8 N6 O2 Pb2 -","- C96 H64 N48 O16 Pb16 -","8","1","CF6406","V. C. Sharma; U. Lal; Tej Singh; Deepak Chopra; T. N. Guru Row","Poly[bis(benzotriazolato)di-μ-oxo-dilead(II)]","Acta Crystallographica Section E","2005","61","6","m1108","m1110","10.1107/S160053680501439X","","","0.71073","MoKα","","0.0605","0.0558","","","0.1823","0.188","","","","","","1.132","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205881","9.5847","0.0017","14.953","0.003","14.508","0.003","90","","99.694","0.004","90","","2049.6","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorobis(1,10-phenanthroline)mercury(II)","","- C24 H16 Cl2 Hg N4 -","- C24 H16 Cl2 Hg N4 -","- C96 H64 Cl8 Hg4 N16 -","4","1","CF6415","Ramezanipour, Farshid; Aghabozorg, Hossein; Soleimannejad, Janet","Dichlorobis(1,10-phenanthroline)mercury(II)","Acta Crystallographica Section E","2005","61","6","m1194","m1196","10.1107/S1600536805015813","","","0.71073","MoKα","","0.0394","0.0367","","","0.0877","0.0895","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205882","10.521","0.003","16.629","0.005","14.08","0.004","90","","105.315","0.005","90","","2375.9","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-{[(1Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydropyrazol-4- ylidene)(phenyl)methyl]amino}-3-phenylpropanoate","","- C28 H27 N3 O3 -","- C28 H27 N3 O3 -","- C112 H108 N12 O12 -","4","1","CF6420","Xin Zhang; Hua-Ling Zhu; Hai-Zhen Xu; Mei Dong","Ethyl 2-{[(1<i>Z</i>)-(3-methyl-5-oxo-1-phenyl-1,5-dihydropyrazol-4-ylidene)(phenyl)methyl]amino}-3-phenylpropanoate","Acta Crystallographica Section E","2005","61","6","o1629","o1630","10.1107/S1600536805014182","","","0.71073","MoKα","","0.0948","0.0511","","","0.1097","0.1298","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205883","15.194","0.0015","15.908","0.003","13.227","0.002","90","","90","","90","","3197","0.8","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","calcium nitrate(15-crown-5)","Bis(nitrato-κ^2^O,O')(1,4,7,10,13-pentaoxacyclopentadecane)calcium(II)","","- C10 H20 Ca N2 O11 -","- C10 H20 Ca N2 O11 -","- C80 H160 Ca8 N16 O88 -","8","2","CF6421","Brown, Michael D.; Levason, William; Webster, Michael","Bis(nitrato-κ^2^<i>O,O</i>')(1,4,7,10,13-pentaoxacyclopentadecane)calcium(II)","Acta Crystallographica Section E","2005","61","6","m1015","m1017","10.1107/S1600536805012973","","","0.71073","MoKα","","0.0516","0.0402","","","0.0832","0.0887","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205884","11.979","0.002","5.202","0.001","19.773","0.003","90","","92.22","0.02","90","","1231.2","0.4","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-Chlorophenyl)chroman-4-one","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C60 H44 Cl4 O8 -","4","1","CF6422","Hui Wu; Zhou Xu; Yu Wan; Yongmin Liang; Kaibei Yu","2-(3-Chlorophenyl)chroman-4-one","Acta Crystallographica Section E","2005","61","6","o1692","o1693","10.1107/S1600536805014637","","","0.71073","MoKα","","0.0757","0.0366","","","0.0739","0.0832","","","","","","0.872","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205885","9.2012","0.0001","16.9571","0.0003","26.3555","0.0004","90","","90","","90","","4112.13","0.11","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Acetamido-N-benzyl-1,4-imino-1,2,4-trideoxy-L-arabinitol","","- C14 H20.67 N2 O3.33 -","- C14 H20.6667 N2 O3.33333 -","- C168 H248 N24 O40 -","12","3","CF6423","Christopher C. Harding; J.S Shane Rountree; David J. Watkin; Andrew R. Cowley; Terry D. Butters; Mark R. Wormald; Raymond A. Dwek; George W. J. Fleet","2-Acetamido-<i>N</i>-benzyl-1,4-imino-1,2,4-trideoxy-<small>L</small>-arabinitol 0.33-hydrate","Acta Crystallographica Section E","2005","61","6","o1683","o1685","10.1107/S1600536805014455","","","0.71073","MoKα","","0.0893","0.0464","","0.1116","0.0961","0.1116","","","","","","0.8135","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205886","6.6195","0.0002","10.4127","0.0003","16.3294","0.0007","90","","90","","90","","1125.53","0.07","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3R,4R)-Methyl 2-bromo-3,4-dihydroxy-3,4-O-isopropylidenetetrahydrofuran- 2-carboxylate","","- C9 H13 Br O5 -","- C9 H13 Br O5 -","- C36 H52 Br4 O20 -","4","1","CF6424","Probert, Michael R.; Watkin, David J.; Stewart, Alistair J.; Storer, Richard; Fleet, George W. J.","(2<i>R</i>,3<i>R</i>,4<i>R</i>)-Methyl 2-bromo-3,4-dihydroxy-3,4-<i>O</i>-isopropylidenetetrahydrofuran-2-carboxylate","Acta Crystallographica Section E","2005","61","6","o1718","o1720","10.1107/S1600536805014467","","","0.71073","MoKα","","0.0501","0.0501","","0.097","0.097","0.097","","","","","","0.9731","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205887","10.0697","0.0013","12.7025","0.0017","10.7016","0.0014","90","","94.706","0.002","90","","1364.2","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(ethyldiphenylphosphino)ethylenediamine P,P'-dioxide","","- C30 H34 N2 O2 P2 -","- C30 H34 N2 O2 P2 -","- C60 H68 N4 O4 P4 -","2","0.5","CF6425","Sevil Irisli; Ayten Sen","<i>N</i>,<i>N</i>'-Bis(ethyldiphenylphosphino)ethylenediamine <i>P</i>,<i>P</i>'-dioxide","Acta Crystallographica Section E","2005","61","6","o1939","o1941","10.1107/S160053680501665X","","","0.71073","MoKα","","0.0741","0.0584","","","0.1342","0.1433","","","","","","1.084","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205888","12.07","0.002","7.7088","0.0015","7.3332","0.0015","90","","91.42","0.03","90","","682.1","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[dimethanolmagnesium(II)]-μ-p-phenylenedioxydiacetato]","","- C12 H16 Mg O8 -","- C12 H16 Mg O8 -","- C24 H32 Mg2 O16 -","2","0.5","CF6426","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","Poly[[dimethanolmagnesium(II)]-μ-<i>p</i>-phenylenedioxydiacetato]: a three-dimensional magnesium(II) coordination polymer","Acta Crystallographica Section E","2005","61","6","m1117","m1119","10.1107/S1600536805014625","","","0.71073","MoKα","","0.0765","0.0628","","","0.1591","0.1664","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205889","13.819","0.002","21.354","0.003","21.991","0.003","90","","128.931","0.006","90","","5048.1","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Diisopropyl {(4-methylbenzothiazol-2-ylamino)[4-(trifluoromethyl)phenyl]methyl}phosphonate","","- C22 H26 F3 N2 O3 P S -","- C22 H26 F3 N2 O3 P S -","- C176 H208 F24 N16 O24 P8 S8 -","8","2","CI6544","Song, Yang; Baoan, Song; Guoping, Zhang; Linhong, Jin; Deyu, Hu; Wei, Xue","Diisopropyl {(4-methylbenzothiazol-2-ylamino)[4-(trifluoromethyl)phenyl]methyl}phosphonate","Acta Crystallographica Section E","2005","61","6","o1662","o1664","10.1107/S1600536805014327","","","0.71073","MoKα","","0.2144","0.0615","","","0.1565","0.228","","","","","","0.934","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205890","16.244","0.002","7.767","0.0008","15.3043","0.0019","90","","90","","90","","1930.9","0.4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","poly[bis(N-methylformamide)tetra-μ-thiocyanato-cadmium(II)mercury(II)]","","- C8 H10 Cd Hg N6 O2 S4 -","- C8 H10 Cd Hg N6 O2 S4 -","- C32 H40 Cd4 Hg4 N24 O8 S16 -","4","1","CI6548","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Zhang, Guang Hui","Polymeric bis(<i>N</i>-methylformamide)tetrathiocyanatocadmium(II)mercury(II)","Acta Crystallographica Section E","2005","61","6","m1147","m1149","10.1107/S1600536805015394","","","0.71069","MoKα","","0.0716","0.0409","","","0.0713","0.0807","","","","","","0.969","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205891","13.9158","0.0007","14.8078","0.0008","26.3807","0.0014","90","","90","","90","","5436.1","0.5","291","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","Incanilin","(20S,24R)-Incanilin","","- C30 H48 O4 -","- C30 H48 O4 -","- C240 H384 O32 -","8","1","CI6569","Hernández-Ortega, Simón; Parra Delgado, Hortensia; Martínez, Mariano","Incaniline (isoargentatin A) from <i>Parthenium argentatum</i>","Acta Crystallographica Section E","2005","61","6","o1921","o1923","10.1107/S1600536805016429","","","0.71073","MoKα","","0.0618","0.0494","","","0.1114","0.1166","","","","","","1.024","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205892","10.6759","0.0006","6.9487","0.0004","16.4346","0.0006","90","","102.164","0.003","90","","1191.81","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl (E)-4-(2-formylphenoxy)but-2-enoate","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","CI6571","Williamson, Craig; Storey, John M. D.; Harrison, William T. A.","Ethyl (<i>E</i>)-4-(2-formylphenoxy)but-2-enoate","Acta Crystallographica Section E","2005","61","6","o1566","o1568","10.1107/S1600536805013164","","","0.71073","MoKα","","0.0847","0.0478","","","0.1091","0.1262","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205893","13.905","0.002","17.965","0.003","20.505","0.004","90","","101.026","0.007","90","","5027.7","1.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Bromophenyl)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridine- 6(7H)-one","","- C19 H16 Br N3 O -","- C19 H16 Br N3 O -","- C228 H192 Br12 N36 O12 -","12","3","CI6572","Feng Shi; Shu-Jiang Tu; Song-Lei Zhu","4-(4-Bromophenyl)-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-6(7<i>H</i>)-one","Acta Crystallographica Section E","2005","61","6","o1601","o1603","10.1107/S1600536805014029","","","0.7107","MoKα","","0.0905","0.0788","","","0.1517","0.1568","","","","","","1.13","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205894","25.429","0.009","8.209","0.005","10.502","0.006","90","","95.595","0.009","90","","2182","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one hemihydrate","","- C11 H12 N3 O1.5 -","- C11 H12 N3 O1.5 -","- C88 H96 N24 O12 -","8","1","CI6573","Jun Wan; Chun-Li Li; Xue-Mei Li; Shu-Sheng Zhang; Hong Xu; Ping-Kai Ouyang","1-Phenyl-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one hemihydrate","Acta Crystallographica Section E","2005","61","6","o1641","o1642","10.1107/S1600536805013358","","","0.71073","MoKα","","0.0552","0.0451","","","0.1155","0.1231","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205895","14.979","0.003","13.609","0.003","25.164","0.005","90","","90","","90","","5129.7","1.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(5-bromo-N-cyclohexylsalicylideneaminato)nickel(II)","","- C26 H30 Br2 N2 Ni O2 -","- C26 H30 Br2 N2 Ni O2 -","- C208 H240 Br16 N16 Ni8 O16 -","8","1","CI6575","Sun, Yu-Xi; Yang, Guang; Chen, Guang; Sun, Min; Zhang, Hong-Lin","Bis(5-bromo-<i>N</i>-cyclohexylsalicylideneaminato)nickel(II): an orthorhombic polymorph","Acta Crystallographica Section E","2005","61","6","m1103","m1104","10.1107/S1600536805014339","","","0.71073","MoKα","","0.0977","0.0488","","","0.1155","0.138","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205896","14.4737","0.0005","14.6771","0.0005","15.1822","0.0006","90","","106.877","0.001","90","","3086.28","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tetrakis(4-amino-3-methylpyridine)diisothiocyanatocadmium(II)","Tetrakis(4-amino-3-methylpyridine)diisothiocyanatocadmium(II)","","- C26 H32 Cd N10 S2 -","- C26 H32 Cd N10 S2 -","- C104 H128 Cd4 N40 S8 -","4","0.5","CI6576","Xiao-Jun Feng; Suchada Chantrapromma; Hoong-Kun Fun; Yu-Peng Tian","Tetrakis(4-amino-3-methylpyridine)diisothiocyanatocadmium(II)","Acta Crystallographica Section E","2005","61","6","m1077","m1079","10.1107/S1600536805013978","","","0.71073","MoKα","","0.0238","0.0213","","","0.0564","0.0586","","","","","","1.116","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205897","8.1669","0.0008","24.11","0.002","14.4666","0.0014","90","","104.057","0.002","90","","2763.2","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","3β-hydroxylupan-29-oic acid","2-(9-hydroxy-3a,5a,5b,8,8,11a-(hexamethylicosahydro-1H-cyclopenta[a]chrysen- 1-yl)propanoic acid","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","2","CI6578","Pakakrong Thongdeeying; Suchada Chantrapromma; Hoong-Kun Fun; Shazia Anjum; Shamsher Ali; Chanita Ponglimanont","2-(9-Hydroxy-3a,5a,5b,8,8,11a-hexamethylicosahydro-1<i>H</i>-cyclopenta[<i>a</i>]chrysen-1-yl)propanoic acid (3β-hydroxylupan-29-oic acid)","Acta Crystallographica Section E","2005","61","6","o1861","o1863","10.1107/S1600536805015606","","","0.71073","MoKα","","0.0936","0.0531","","","0.0996","0.1168","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205898","8.5129","0.0013","30.047","0.004","11.1308","0.0018","90","","90","","90","","2847.1","0.7","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(4-Phenylthiazol-2-yl)hydrazonomethyl]phenol","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C128 H104 N24 O8 S8 -","8","1","CI6579","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim","2-[(4-Phenylthiazol-2-yl)hydrazonomethyl]phenol","Acta Crystallographica Section E","2005","61","6","o1712","o1714","10.1107/S1600536805014418","","","0.71073","MoKα","","0.1699","0.0494","","","0.0707","0.0965","","","","","","0.905","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205899","20.1618","0.0004","11.9426","0.0003","11.3334","0.0002","90","","92.08","0.001","90","","2727.11","0.1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-methoxylbenzoato)phenyl(trimethylsilylmethyl)tin(IV)","","- C26 H30 O6 Si Sn -","- C26 H30 O6 Si Sn -","- C104 H120 O24 Si4 Sn4 -","4","1","CI6580","Lin, Sen; Fu, Zhi-Fei; Fang, Xiao-Niu; Liu, Huan-Yu","Bis(4-methoxylbenzoato)phenyl(trimethylsilylmethyl)tin(IV)","Acta Crystallographica Section E","2005","61","6","m1161","m1162","10.1107/S1600536805015370","","","0.71073","MoKα","","0.0418","0.03","","","0.0827","0.0912","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205900","13.66","0.0007","6.5247","0.0003","17.5754","0.0009","90","","111.726","0.001","90","","1455.18","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,7-Dihydroxy-6,2'-dimethoxyisoflavone","","- C17 H14 O6 -","- C17 H14 O6 -","- C68 H56 O24 -","4","1","CI6582","Nighat Sultana; M. Iqbal Choudhary; Shamsher Ali; Shazia Anjum; Hoong-Kun Fun; Atta-ur-Rahman","5,7-Dihydroxy-6,2'-dimethoxyisoflavone","Acta Crystallographica Section E","2005","61","6","o1812","o1814","10.1107/S1600536805015187","","","0.71073","MoKα","","0.0499","0.0385","","","0.099","0.1082","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205901","5.6753","0.0011","7.795","0.0016","16.368","0.003","93.02","0.03","96","0.03","90.52","0.03","719.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-Bis(phenylsulfanyl)butane","","- C16 H18 S2 -","- C16 H18 S2 -","- C32 H36 S4 -","2","1","CI6585","Chen, Wei; Hou, Bao-Hong; Zhou, Li-Na; Wang, Jing-Kang; Li, Hong","1,4-Bis(phenylsulfanyl)butane","Acta Crystallographica Section E","2005","61","6","o1890","o1891","10.1107/S1600536805016120","","","0.71073","MoKα","","0.0929","0.0595","","","0.1661","0.2008","","","","","","0.959","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205902","7.806","0.002","9.901","0.003","29.307","0.008","90","","90","","90","","2265.1","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Nitrophenyl)-1H-benzimidazole","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C104 H72 N24 O16 -","8","1","CI6588","Xue-Mei Li; Li-Ping Du; Ying Li; Shu-Sheng Zhang","2-(2-Nitrophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2005","61","6","o1902","o1903","10.1107/S1600536805016417","","","0.71073","MoKα","","0.0567","0.0438","","","0.1047","0.1129","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205903","7.0484","0.0015","10.3371","0.0019","22.174","0.004","90","","98.547","0.006","90","","1597.7","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-chlorophenyl)-6-morpholinopyridine-3,5-dicarbonitrile","","- C17 H14 Cl N5 O -","- C17 H14 Cl N5 O -","- C68 H56 Cl4 N20 O4 -","4","1","CI6589","Shu-Jiang Tu; Tuan-Jie Li; Song-Lei Zhu; Xiang Zou; Qian Wang","2-Amino-4-(4-chlorophenyl)-6-morpholinopyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2005","61","6","o1883","o1884","10.1107/S1600536805016296","","","0.7107","MoKα","","0.0502","0.0409","","","0.0901","0.0952","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205904","12.857","0.003","7.066","0.0012","13.541","0.0012","90","","109.56","0.017","90","","1159.2","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Prop-2-ynyl 3-(3,4-dihydroxyphenyl)prop-2-enoate monohydrate","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","1","CV6482","Chun-Nian Xia; Wei Zhou; Wei-Xiao Hu","Prop-2-ynyl 3-(3,4-dihydroxyphenyl)prop-2-enoate monohydrate","Acta Crystallographica Section E","2005","61","6","o1783","o1784","10.1107/S1600536805014340","","","0.71073","MoKα","","0.0606","0.0338","","","0.0863","0.1009","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205905","25.564","0.001","4.141","0.002","15","0.002","90","","103.08","0.02","90","","1546.7","0.8","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-Hydroxy-4,5-dimethylthiazole-2(3H)-thione hemihydrate","","- C5 H8 N O1.5 S2 -","- C5 H8 N O1.5 S2 -","- C40 H64 N8 O12 S16 -","8","1","CV6486","Hartung, Jens; Daniel, Kristina; Gottwald, Thomas; Svoboda, Ingrid; Fuess, Hartmut","<i>N</i>-Hydroxy-4,5-dimethylthiazole-2(3<i>H</i>)-thione hemihydrate","Acta Crystallographica Section E","2005","61","6","o1741","o1743","10.1107/S1600536805013851","","","0.71073","MoKα","","0.0461","0.0426","","","0.1157","0.1192","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205906","29.4926","0.0015","10.1678","0.0003","19.7293","0.0003","90","","115.389","0.002","90","","5344.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(dimethylformamide)-2κ^2^O-dipyridine-1κN,3κN-bis(μ-2'-salicylbenzohydrazidato)-1κ^4^O,N,N',O':2κ^2^N,O'';2κ^2^N,O'':3κ^4^O,N,N',O'-trinickel(II) dimethylformamide disolvate hemihydrate","","- C50 H57 N10 Ni3 O10.5 -","- C50 H57 N10 Ni3 O10.5 -","- C200 H228 N40 Ni12 O42 -","4","0.5","CV6487","Ming-Xing Yang; Shen Lin","Bis(dimethylformamide-2κ<i>O</i>)dipyridine-1κ<i>N</i>,3κ<i>N</i>-bis(μ-2'-salicylbenzohydrazidato)-1κ^3^<i>O</i>,<i>N</i>,<i>O</i>':2κ^2^<i>N</i>,<i>O</i>'';2κ^2^<i>N</i>,<i>O</i>'':3κ^3^<i>O</i>,<i>N</i>,<i>O</i>'-trinickel(II) dimethylformamide disolvate hemihydrate","Acta Crystallographica Section E","2005","61","6","m1095","m1096","10.1107/S1600536805013875","","","0.71073","MoKα","","0.0729","0.0471","","","0.1245","0.1371","","","","","","0.981","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205907","6.227","0.001","8.36","0.001","11.624","0.003","76","0.02","78.4","0.02","75.05","0.02","561","0.2","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","4-Methyl-5-(p-methoxyphenyl)thiazole-2(3H)-thione","","- C11 H11 N O S2 -","- C11 H11 N O S2 -","- C22 H22 N2 O2 S4 -","2","1","CV6488","Hartung, Jens; Daniel, Kristina; Svoboda, Ingrid; Fuess, Hartmut","5-(4-Methoxyphenyl)-4-methylthiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","6","o1744","o1746","10.1107/S1600536805013863","","","0.71073","MoKα","","0.1196","0.0413","","","0.07","0.0877","","","","","","0.856","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205908","10.8255","0.0003","17.9119","0.0005","15.0647","0.0004","90","","90.423","0.001","90","","2921.05","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium bis(benzene-1,2-dithiolato)(2-disulfanylbenzenethiolato)niobate","","- C26 H32 N Nb S7 -","- C26 H32 N Nb S7 -","- C104 H128 N4 Nb4 S28 -","4","1","CV6492","Petrov, Pavel A.; Kuratieva, Natalia V.; Naumov, Dmitry Yu.; Konchenko, Sergei N.","Tetraethylammonium bis(benzene-1,2-dithiolato)(2-disulfanylbenzenethiolato)niobate","Acta Crystallographica Section E","2005","61","6","m1138","m1139","10.1107/S1600536805012869","","","0.71073","MoKα","","0.0404","0.0307","","","0.0777","0.0815","","","","","","1.04","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205909","7.656","0.003","10.707","0.005","10.933","0.005","73.065","0.006","84.573","0.007","86.058","0.007","852.7","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Chloro(pyridine-4-carbonitrile-κN^1^)(1,4,7-triazacyclononane- κ^3^N,N',N'')copper(II) perchlorate","","- C12 H19 Cl2 Cu N5 O4 -","- C12 H19 Cl2 Cu N5 O4 -","- C24 H38 Cl4 Cu2 N10 O8 -","2","1","CV6493","Yu-Hu Wang; Zhao-Dong Wang; Bin Li; Jie Qu; Xin Liu; Wen Gu; Wen-Zhen Wang","Chloro(pyridine-4-carbonitrile-κ<i>N</i>^1^)(1,4,7-triazacyclononane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II) perchlorate","Acta Crystallographica Section E","2005","61","6","m1101","m1102","10.1107/S1600536805012870","","","0.71073","MoKα","","0.0466","0.0331","","","0.0799","0.0863","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205910","10.8458","0.0006","17.0539","0.0009","25.9179","0.0013","90","","90","","90","","4793.9","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[diaqua(1,4,7,10,13,16-hexaoxacyclooctadecane)barium(II)]- μ-cyano-[dicyanoplatinum(II)]-μ-cyano]","","- C16 H28 Ba N4 O8 Pt -","- C16 H28 Ba N4 O8 Pt -","- C128 H224 Ba8 N32 O64 Pt8 -","8","1","CV6494","Olmstead, Marilyn M.; Lee, Moses A.; Stork, Jay R.","<i>catena</i>-Poly[[diaqua(1,4,7,10,13,16-hexaoxacyclooctadecane)barium(II)]-μ-cyano-[dicyanoplatinum(II)]-μ-cyano]","Acta Crystallographica Section E","2005","61","6","m1048","m1050","10.1107/S1600536805013887","","","0.71073","MoKα","","0.0291","0.018","","","0.0356","0.0394","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205911","7.5517","0.0007","11.3022","0.0012","13.4646","0.0013","90","","95.186","0.008","90","","1144.5","0.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Hydroxy-6-[(2-methoxyphenyl)aminomethylene]cyclohexa-2,4-dienone","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","CV6500","Şahin, Onur; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa","2-Hydroxy-6-[(2-methoxyphenyl)aminomethylene]cyclohexa-2,4-dienone","Acta Crystallographica Section E","2005","61","6","o1579","o1581","10.1107/S160053680501319X","","","0.71073","MoKα","","0.0792","0.0379","","","0.0844","0.0958","","","","","","0.846","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205912","12.267","0.003","13.083","0.003","20.919","0.006","90","","92.423","0.005","90","","3354.3","1.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{5-amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4- yl}disulfide acetonitrile disolvate","","- C26 H14 Cl4 F6 N10 S2 -","- C26 H14 Cl4 F6 N10 S2 -","- C104 H56 Cl16 F24 N40 S8 -","4","0.5","CV6501","Tang, Ri-Yuan; Zhong, Ping; Li, Shu-Yan; Hu, Mao-Lin","Bis{5-amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazol-4-yl} disulfide acetonitrile disolvate","Acta Crystallographica Section E","2005","61","6","o1564","o1565","10.1107/S1600536805013085","","","0.71073","MoKα","","0.0687","0.06","","","0.1634","0.1709","","","","","","1.038","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205913","9.5674","0.0002","11.702","0.0003","22.2785","0.0004","90","","90","","90","","2494.25","0.09","150","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(10,11-Dihydrodibenz[b,f]azepin-5-yl)ethanone","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","2","CV6502","Basavegowda Nagaraj; Hemmige S. Yathirajan; Daniel E. Lynch","1-(10,11-Dihydrodibenz[<i>b</i>,<i>f</i>]azepin-5-yl)ethanone","Acta Crystallographica Section E","2005","61","6","o1609","o1610","10.1107/S1600536805013115","","","0.71073","MoKα","","0.0386","0.0314","","","0.0726","0.0763","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205914","9.357","0.004","12.439","0.002","13.103","0.003","116.8","0.017","108.38","0.02","80.91","0.02","1291.6","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diphenyl 3,6-bis(4-chlorophenyl)-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate","","- C28 H18 Cl2 N4 O4 -","- C28 H18 Cl2 N4 O4 -","- C56 H36 Cl4 N8 O8 -","2","1","CV6503","Guang-Xiang Zhong; Lu-Ping Lv; Guo-Wu Rao; Weixiao Hu","Diphenyl 3,6-bis(4-chlorophenyl)-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate","Acta Crystallographica Section E","2005","61","6","o1552","o1553","10.1107/S1600536805013607","","","0.71073","MoKα","","0.0978","0.0347","","","0.0867","0.107","","","","","","1.02","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205915","24.083","0.003","7.784","0.003","24.461","0.004","90","","90.7","0.01","90","","4585","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6-Dipropyl-N,N'-di-o-tolyl-1,2,4,5-tetrazine-1,4-dicarboxamide","","- C24 H30 N6 O2 -","- C24 H30 N6 O2 -","- C192 H240 N48 O16 -","8","1","CV6504","Luping Lv; Guan-Xiang Zhong; Wei-Xiao Hu; Wei Zhou; Hai-Bo Shi","3,6-Dipropyl-<i>N,N</i>'-di-<i>o</i>-tolyl-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2005","61","6","o1622","o1623","10.1107/S1600536805013930","","","0.71073","MoKα","","0.1613","0.0674","","","0.2269","0.261","","","","","","1.189","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205916","6.952","0.002","8.522","0.003","30.12","0.009","90","","90","","90","","1784.5","1","292","","292","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Carboxymethyl-2-(hydroxyquinolin-4-ylmethyl)-5-vinyl-1- azoniabicyclo[2.2.2]octane","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","CV6507","Li-Ping Zhang; Jian Lv; Yi , Li; Yong-Mei Wang","1-Carboxylatomethyl-2-(hydroxyquinolin-4-ylmethyl)-5-vinyl-1-azoniabicyclo[2.2.2]octane, a zwitterion of the Cinchona alkaloid complex","Acta Crystallographica Section E","2005","61","6","o1855","o1857","10.1107/S1600536805015709","","","0.71073","MoKα","","0.093","0.0605","","","0.1075","0.117","","","","","","1.084","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205917","8.6112","0.0009","21.669","0.002","8.1152","0.0008","90","","106.82","0.002","90","","1449.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(1H-1,2,3-Benzotriazol-1-yl)-1-(4-methoxyphenyl)propan-1-one","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","CV6508","Shu-Sheng Zhang; Jun Wan; Ying Li; Xue-Mei Li; Hong Xu; Ping-Kai Ouyang","3-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-1-(4-methoxyphenyl)propan-1-one","Acta Crystallographica Section E","2005","61","6","o1793","o1794","10.1107/S1600536805015126","","","0.71073","MoKα","","0.0519","0.0419","","","0.1078","0.1149","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205918","9.1761","0.0008","9.5962","0.0008","11.9113","0.001","72.526","0.001","78.339","0.002","82.942","0.002","977.63","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N,N-Diphenyl-2-(quinolin-8-yloxy)acetamide monohydrate","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","CV6509","Yong-Hong Wen; Shu-Sheng Zhang; Mao-Jie Li; Xue-Mei Li","<i>N</i>,<i>N</i>-Diphenyl-2-(quinolin-8-yloxy)acetamide monohydrate","Acta Crystallographica Section E","2005","61","6","o1807","o1809","10.1107/S1600536805015357","","","0.71073","MoKα","","0.064","0.0463","","","0.108","0.1202","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205919","11.0566","0.0016","11.3596","0.0017","11.4916","0.0017","117.554","0.002","99.937","0.003","102.83","0.002","1182.7","0.3","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","Propyl 3,5-dinitrobenzoate","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C40 H40 N8 O24 -","4","2","CV6511","Jin Longfei; Xiao Fengping","Propyl 3,5-dinitrobenzoate","Acta Crystallographica Section E","2005","61","6","o1826","o1827","10.1107/S160053680501528X","","","0.71073","MoKα","","0.0833","0.0557","","","0.1325","0.1515","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205920","10.074","0.002","5.6289","0.0012","13.969","0.003","90","","110.074","0.004","90","","744","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(3-Benzoylthioureido)ethanoic acid dimethyl sulfoxide solvate","","- C12 H16 N2 O4 S2 -","- C12 H16 N2 O4 S2 -","- C24 H32 N4 O8 S4 -","2","1","CV6512","Ngah, Nurziana; Shah, Nabihah M.; Kassim, Mohammad B.; Yamin, Bohari M.","2-(3-Benzoylthioureido)ethanoic acid dimethyl sulfoxide solvate","Acta Crystallographica Section E","2005","61","6","o1910","o1912","10.1107/S1600536805016491","","","0.71073","MoKα","","0.037","0.033","","","0.076","0.077","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205921","8.822","0.0011","11.641","0.002","21.504","0.003","75.865","0.011","87.731","0.01","72.474","0.012","2040.7","0.5","120","2","120","2","","","","","","","","3","P -1","-P 1","2","Osajin","5-hydroxy-3-(3-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)- 4H,8H-pyrano[2,3-h]chromen-4-one","","- C25 H24 O5 -","- C25 H24 O5 -","- C100 H96 O20 -","4","2","CV6513","Lišková, Margita; Marek, Jaromír; Jankovská, Dagmar; Sukupová, Lada; Žemlička, Milan; Vančo, Jan","Osajin","Acta Crystallographica Section E","2005","61","6","o1848","o1850","10.1107/S1600536805015667","","","0.71073","MoKα","","0.1057","0.0486","","","0.109","0.1247","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205922","8.996","0.005","9.387","0.005","14.137","0.005","96.55","0.005","103.623","0.005","101.722","0.005","1119.5","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Carbonyl(triphenylarsine)(tropolonato)rhodium(I).","","- C26 H20 As O3 Rh -","- C26 H20 As O3 Rh -","- C52 H40 As2 O6 Rh2 -","2","1","CV6514","Steyl, Gideon; Roodt, Andreas","Carbonyl(triphenylarsine)(tropolonato)rhodium(I)","Acta Crystallographica Section E","2005","61","6","m1212","m1214","10.1107/S1600536805015679","","","0.71069","MoKα","","0.136","0.07","","","0.1612","0.1863","","","","","","0.921","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205923","5.5952","0.0005","7.1862","0.0006","30.882","0.003","90","","94.108","0.002","90","","1238.52","0.19","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4'-Dinonyl-2,2'-bipyridine","","- C28 H44 N2 -","- C28 H44 N2 -","- C56 H88 N4 -","2","0.5","CV6517","Fujihara, Takashi; Suzuki, Hajime; Nagasawa, Akira","4,4'-Dinonyl-2,2'-bipyridine","Acta Crystallographica Section E","2005","61","6","o1867","o1868","10.1107/S1600536805015849","","","0.71073","MoKα","","0.0718","0.0606","","","0.1471","0.154","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205924","35.937","0.002","8.3365","0.0004","25.432","0.001","90","","126.076","0.001","90","","6158.1","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(8-hydroxyquinolinato-κ^2^N,O) lead(II)","","- C18 H12 N2 O2 Pb -","- C18 H12 N2 O2 Pb -","- C288 H192 N32 O32 Pb16 -","16","2","DN6216","Zhu, Li-Hong; Zeng, Ming-Hua; Ng, Seik Weng","Bis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)lead(II)","Acta Crystallographica Section E","2005","61","6","m1082","m1084","10.1107/S1600536805011852","","","0.71073","MoKα","","0.051","0.03","","","0.065","0.075","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205925","15.327","0.002","12.436","0.002","8.543","0.002","90","","113.5","0.02","90","","1493.3","0.5","173","2","446","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,2':6',2'':6'',2'''-quaterpyridine","2-(6-(6-(pyridin-2-yl)pyridin-2-yl)pyridin-2-yl)pyridine","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","DN6221","M. Rolland; A. van der Lee; M. Barboiu","Dimorphism of 2,2':6',2'':6'',2'''-quaterpyridine","Acta Crystallographica Section E","2005","61","6","o1880","o1882","10.1107/S1600536805015618","","","0.71073","MoKα","","0.1087","0.0762","","","0.2145","0.2464","","","","","","1.141","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205926","15.256","0.002","5.8527","0.0005","15.751","0.0019","90","","95.373","0.01","90","","1400.2","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-ylmethyl]-6-methylpyran-4-one","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C52 H80 N8 O16 -","4","1","DN6223","Ocak Ískeleli, Nazan; Işık, Şamil; Dilsiz Aytemir, Mutlu","3-Hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-ylmethyl]-6-methylpyran-4-one","Acta Crystallographica Section E","2005","61","6","o1947","o1949","10.1107/S1600536805016697","","","0.71073","MoKα","","0.0699","0.0329","","","0.0681","0.0735","","","","","","0.783","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205927","5.7208","0.0009","7.9144","0.0008","17.447","0.002","90","","101.682","0.013","90","","773.58","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sarcosine ammonium nitrate","N-methylglycine ammonium nitrate","","- C3 H11 N3 O5 -","- C3 H11 N3 O5 -","- C12 H44 N12 O20 -","4","1","ER6009","Rodrigues, V. H.; Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Costa, M.M.R.R.","Sarcosine ammonium nitrate","Acta Crystallographica Section E","2005","61","6","o1631","o1633","10.1107/S1600536805012031","","","0.71074","MoKα","","0.0901","0.0413","","","0.1102","0.1298","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205928","15.096","0.003","6.1108","0.0012","32.164","0.006","90","","90","","90","","2967.1","1","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[aquacadmium(II)]bis(μ-4,5-diphenyl-1H-imidazole-1-acetate- κ^3^N:O,O')]","","- C34 H28 Cd N4 O5 -","- C34 H28 Cd N4 O5 -","- C136 H112 Cd4 N16 O20 -","4","1","ER6011","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua","<i>catena</i>-Poly[[aquacadmium(II)]bis(μ-4,5-diphenyl-1<i>H</i>-imidazole-1-acetate)-κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>N</i>]","Acta Crystallographica Section E","2005","61","6","m1012","m1014","10.1107/S160053680501295X","","","0.71073","MoKα","","0.039","0.0342","","","0.0889","0.0914","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205929","7.5645","0.0008","12.2332","0.0012","13.5558","0.0014","90","","102.867","0.002","90","","1222.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[2-(3-Chlorophenyl)ethyl]pyridine-2-carbonitrile","","- C14 H11 Cl N2 -","- C14 H11 Cl N2 -","- C56 H44 Cl4 N8 -","4","1","ER6014","Xiangping, Li; Haiyong, Chen; Xiaomin, Wang; Changxin Zhou; Yu Zhao","3-[2-(3-Chlorophenyl)ethyl]pyridine-2-carbonitrile","Acta Crystallographica Section E","2005","61","6","o1810","o1811","10.1107/S1600536805013681","","","0.71073","MoKα","","0.0659","0.0483","","","0.1186","0.1273","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205930","10.353","0.003","6.107","0.001","10.882","0.002","90","","102.23","0.02","90","","672.4","0.3","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(4-Chlorophenyl)-2-(trichloromethylsulfanyl)-1,3-thiazole","","- C10 H5 Cl4 N S2 -","- C10 H5 Cl4 N S2 -","- C20 H10 Cl8 N2 S4 -","2","1","FL6158","Hartung, Jens; Schmidt, Philipp; Svoboda, Ingrid; Fuess, Hartmut","4-(4-Chlorophenyl)-2-(trichloromethylsulfanyl)-1,3-thiazole","Acta Crystallographica Section E","2005","61","6","o1736","o1737","10.1107/S160053680501305X","","","0.71073","MoKα","","0.0502","0.0321","","","0.0768","0.0847","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205931","7.3037","0.0005","15.287","0.001","14.985","0.001","90","","92.735","0.007","90","","1671.19","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Methoxyphenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazol-3-yl benzoate","","- C18 H15 N O3 S2 -","- C18 H15 N O3 S2 -","- C72 H60 N4 O12 S8 -","4","1","FL6159","Hartung, Jens; Altermann, Sabine; Svoboda, Ingrid; Fuess, Hartmut","5-(4-Methoxyphenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazol-3-yl benzoate at 100K","Acta Crystallographica Section E","2005","61","6","o1738","o1740","10.1107/S1600536805013061","","","0.71073","MoKα","","0.0474","0.0368","","","0.0856","0.09","","","","","","1.095","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205932","13.939","0.005","6.878","0.005","19.533","0.004","90","","114.279","0.017","90","","1707","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(2-chloro-3,4-dimethoxybenzylidene)amino]adamantane","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C76 H96 Cl4 N4 O8 -","4","1","FL6162","Şamil Işık; Yavuz Köysal; Ebubekir Septiog̃lu; Ünsal Çalış","1-[(2-Chloro-3,4-dimethoxybenzylidene)amino]adamantane","Acta Crystallographica Section E","2005","61","6","o1851","o1852","10.1107/S1600536805015680","","","0.71069","MoKα","","0.0638","0.0451","","","0.1137","0.1224","","","","","","1.03","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205933","14.2591","0.0011","9.9334","0.0005","12.7325","0.001","90","","107.61","0.006","90","","1718.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(2-chloro-3,4-dimethoxybenzylidene)amino]adamantane","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C76 H96 Cl4 N4 O8 -","4","1","FL6163","Şamil Işık; Yavuz Köysal; Ebubekir Septiog̃lu; Ünsal Çalış","2-[(2-Chloro-3,4-dimethoxybenzylidene)amino]adamantane","Acta Crystallographica Section E","2005","61","6","o1853","o1854","10.1107/S1600536805015692","","","0.71073","MoKα","","0.0557","0.0432","","","0.1179","0.1254","","","","","","1.048","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205934","16.0203","0.0009","7.5367","0.0004","11.1773","0.0006","90","","103.597","0.001","90","","1311.73","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,12-Diferrocenyldodecane","","- C32 H42 Fe2 -","- C32 H42 Fe2 -","- C64 H84 Fe4 -","2","0.5","FL6164","Bequeath, Danielle M.; Porter, Richard L.; Lufaso, Michael W.; Wagner, Timothy R.; Kusnic, Rachel L.; Zeller, Matthias; Curtin, Larry S.","1,12-Diferrocenyldodecane at 100K","Acta Crystallographica Section E","2005","61","6","m1070","m1072","10.1107/S160053680501367X","","","0.71073","MoKα","","0.0272","0.026","","","0.0738","0.0748","","","","","","1.073","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205935","5.668","0.001","11.549","0.001","13.743","0.002","91.95","0.01","101.74","0.01","100.64","0.01","863.3","0.2","293","2","","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-4-chlorophenoxyacetato-κ^2^O,O')dimolybdenum(II)","","- C32 H24 Cl4 Mo2 O12 -","- C32 H24 Cl4 Mo2 O12 -","- C32 H24 Cl4 Mo2 O12 -","1","0.5","FL6166","Liwporncharoenvong, Teerayuth; Luck, Rudy L.","Tetrakis(μ-4-chlorophenoxyacetato-κ^2^<i>O</i>,<i>O</i>')dimolybdenum(II)","Acta Crystallographica Section E","2005","61","6","m1191","m1193","10.1107/S1600536805015795","","","0.71069","MoKα","","","0.0259","","","","0.0632","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205936","6.3265","0.0013","11.047","0.002","9.003","0.0018","90","","109.14","0.03","90","","594.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Methoxy-2-methyl-N-phenylaniline","","- C14 H15 N O -","- C14 H15 N O -","- C28 H30 N2 O2 -","2","1","FL6168","Si-Qian Wang; Zhen-Feng Zhang; Xin Wang; Mei-Yu Huang; Ying-Yan Jiang","4-Methoxy-2-methyl-<i>N</i>-phenylaniline","Acta Crystallographica Section E","2005","61","6","o1872","o1874","10.1107/S1600536805015783","","","0.71073","MoKα","","0.0376","0.0337","","","0.0955","0.0973","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205937","5.723","0.0013","3.6965","0.0009","10.244","0.002","90","","97.689","0.007","90","","214.76","0.08","158","","158","","","","","","","","","3","P 1 c 1","P -2yc","7","","1H-Imidazole-4-carbonitrile","","- C4 H3 N3 -","- C4 H3 N3 -","- C8 H6 N6 -","2","1","GH6011","Less, Gregory B.; Rasmussen, Paul G.; Kampf, Jeff W.","1<i>H</i>-Imidazole-4-carbonitrile","Acta Crystallographica Section E","2005","61","6","o1704","o1706","10.1107/S1600536805014509","","","0.71073","MoKα","","0.0326","0.0315","","","0.0786","0.0794","","","","","","1.131","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205938","3.726","0.002","7.511","0.005","29.983","0.018","90","","91.937","0.012","90","","838.6","0.9","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-nitrophenylpropiolic acid","4-nitrophenylpropynoic acid","","- C9 H5 N O4 -","- C9 H5 N O4 -","- C36 H20 N4 O16 -","4","1","GH6020","Dinabandhu Das; Gautam R. Desiraju; Ram K. R. Jetti; Ronald Boese","A rare <i>syn</i>‒<i>anti</i> catemer in 4-nitrophenylpropiolic acid","Acta Crystallographica Section E","2005","61","6","o1588","o1589","10.1107/S1600536805013310","","","0.71073","MoKα","","0.1127","0.0584","","","0.1405","0.1632","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205939","6.8221","0.0003","23.023","0.001","7.6719","0.0003","90","","107.176","0.002","90","","1151.25","0.09","293","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-Chloro-10,11-dihydro-4-aza-5H-dibenzo[a,d]cyclohepten-5-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","GH6021","Wenyan Lin; Xinyue Zhang; Hongxiang Sun; Changxin Zhou; Yu Zhao","8-Chloro-10,11-dihydro-4-aza-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-one","Acta Crystallographica Section E","2005","61","6","o1762","o1763","10.1107/S1600536805014492","","","0.7107","MoKα","","","0.041","","","","0.142","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205940","21.1211","0.0006","15.0486","0.0004","15.5611","0.0005","90","","97.181","0.001","90","","4907.2","0.2","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(μ-2,6-diformyl-4-methylphenolato)bis[bis(2,6-diformyl-4- methylphenolato)neodymium(III)]","","- C54 H42 Nd2 O18 -","- C54 H42 Nd2 O18 -","- C216 H168 Nd8 O72 -","4","0.5","HB6156","Singh-Wilmot, Marvadeen A.; Kahwa, Ishenkumba A.; Lough, Alan J.","Bis(μ-2,6-diformyl-4-methylphenolato)bis[bis(2,6-diformyl-4-methylphenolato)neodymium(III)]","Acta Crystallographica Section E","2005","61","6","m1009","m1011","10.1107/S160053680500591X","","","0.71073","MoKα","","0.0625","0.0401","","","0.0839","0.094","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205941","9.295","0.004","10.639","0.005","11.258","0.005","114.603","0.008","112.54","0.008","95.065","0.008","893.2","0.7","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)] terephthalate octahydrate","","- C32 H42 Cu2 N4 O16 -","- C32 H42 Cu2 N4 O16 -","- C32 H42 Cu2 N4 O16 -","1","0.5","HB6188","Zhang, Hong-Mei; Lu, Li-Ping; Feng, Si-Si; Qin, Shi-Dong; Zhu, Miao-Li","Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] terephthalate octahydrate","Acta Crystallographica Section E","2005","61","6","m1027","m1029","10.1107/S160053680501322X","","","0.71073","MoKα","","0.1805","0.0984","","","0.1936","0.2533","","","","","","0.835","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205942","11.8707","0.0004","21.2746","0.0006","11.2385","0.0004","90","","117.639","0.008","90","","2514.3","0.2","295","3","295","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(4-hydroxybenzoato-κO)(1,10-phenanthroline-κ^2^N,N')cobalt(II) monohydrate","","- C26 H24 Co N2 O9 -","- C26 H24 Co N2 O9 -","- C104 H96 Co4 N8 O36 -","4","1","HB6189","Jian-Rong Su; Jian-Ming Gu; Duan-Jun Xu","Diaquabis(4-hydroxybenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N,N</i>')cobalt(II) monohydrate","Acta Crystallographica Section E","2005","61","6","m1033","m1035","10.1107/S1600536805013000","","","0.71069","MoKα","","0.037","0.03","","","0.073","0.076","","","","","","1.02","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2205943","10.3822","0.0006","17.6359","0.001","11.4516","0.0007","90","","105.191","0.001","90","","2023.5","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triaqua(2,2'-bipyridine)(4-sulfonatobenzoato)manganese(II) monohydrate","","- C17 H20 Mn N2 O9 S -","- C17 H20 Mn N2 O9 S -","- C68 H80 Mn4 N8 O36 S4 -","4","1","HB6190","Zhang, Li-Ping; Zhu, Long-Guan","Triaqua(2,2'-bipyridine)(4-sulfonatobenzoato)manganese(II) monohydrate containing seven-coordinate manganese","Acta Crystallographica Section E","2005","61","6","m1036","m1038","10.1107/S1600536805013243","","","0.71073","MoKα","","0.0788","0.0765","","","0.1383","0.1394","","","","","","1.299","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205944","8.6773","0.001","11.585","0.002","12.068","0.002","77.137","0.014","79.072","0.014","79.279","0.014","1148.1","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","μ-Oxo-bis{chloro[N-(2-methoxyethyl)-N,N-bis(pyridin-2-ylmethyl)amine- κ^4^-N,N',N'',O]iron(III)} bis(trifluoromethanesulfonate) acetonitrile disolvate","","- C36 H44 Cl2 F6 Fe2 N8 O9 S2 -","- C36 H44 Cl2 F6 Fe2 N8 O9 S2 -","- C36 H44 Cl2 F6 Fe2 N8 O9 S2 -","1","0.5","HB6191","Kooijman, Huub; Son, Martin van; Tanase, Stefania; Bouwman, Elisabeth; Reedijk, Jan; Spek, Anthony L.","μ-Oxo-bis{chloro[<i>N</i>-(2-methoxyethyl)-<i>N</i>,<i>N</i>-bis(pyridin-2-ylmethyl)amine-κ^4^-<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]iron(III)} bis(trifluoromethanesulfonate) acetonitrile disolvate","Acta Crystallographica Section E","2005","61","6","m1042","m1044","10.1107/S1600536805013553","","","0.71073","MoKα","","0.0876","0.0643","","","0.1669","0.1845","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205945","10.568","0.007","18.258","0.013","5.025","0.004","90","","90","","90","","969.5","1.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","cobalt zinc phosphate tetrahydrate","","- Co H8 O12 P2 Zn2 -","- Co H8 O12 P2 Zn2 -","- Co4 H32 O48 P8 Zn8 -","4","0.5","HB6192","Wu, Wen-Yuan; Liang, Xiao-Qiang; Li, Yi-Zhi","CoZn~2~(PO~4~)~2~.4H~2~O, a cobalt-doped modification of hopeite","Acta Crystallographica, Section E","2005","61","6","i105","i107","10.1107/S1600536805014078","","","0.71073","MoKα","","0.0398","0.0322","","","0.0761","0.0772","","","","","","1.075","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2205946","10.562","0.003","18.224","0.005","5.0133","0.0015","90","","90","","90","","965","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","nickel zinc phosphate tetrahydrate","","- H8 Ni O12 P2 Zn2 -","- H8 Ni O12 P2 Zn2 -","- H32 Ni4 O48 P8 Zn8 -","4","0.5","HB6193","Wu, Wen-Yuan; Liang, Xiao-Qiang; Li, Yi-Zhi","NiZn~2~(PO~4~)~2~.4H~2~O, a nickel-doped modification of hopeite","Acta Crystallographica, Section E","2005","61","6","i108","i110","10.1107/S160053680501408X","","","0.71073","MoKα","","0.0361","0.0273","","","0.0561","0.0571","","","","","","1.079","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2205947","7.9951","0.001","8.1835","0.0011","9.6545","0.0013","69.312","0.015","69.676","0.015","86.164","0.016","553.03","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","di-μ-chloro-bis[(η^6^-benzene)chlororuthenium(II)] chloroform disolvate","","- C14 H14 Cl10 Ru2 -","- C14 H14 Cl10 Ru2 -","- C14 H14 Cl10 Ru2 -","1","0.5","HB6194","Canivet, Jérôme; Therrien, Bruno; Süss-Fink, Georg","Di-μ-chloro-bis[(η^6^-benzene)chlororuthenium(II)] chloroform disolvate","Acta Crystallographica Section E","2005","61","6","m1090","m1091","10.1107/S1600536805014157","","","0.71073","MoKα","","0.0272","0.0229","","","0.0607","0.0794","","","","","","1.204","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205948","23.432","0.007","16.752","0.005","16.134","0.005","90","","94.372","0.005","90","","6315","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{chloro[tris(1H-benzimidazol-2-ylmethyl)amine]cobalt(II)} tetrachlorocobalt(II) methanol tetrasolvate","","- C52 H58 Cl6 Co3 N14 O4 -","- C52 H58 Cl6 Co3 N14 O4 -","- C208 H232 Cl24 Co12 N56 O16 -","4","0.5","HB6195","Li, Xue-Mei; Feng, Si-Si; Zhang, Hong-Mei; Su, Ying-Lan; Qin, Shi-Dong; Lu, Li-Ping; Xue, Wan-Hua; Zhu, Miao-Li","Bis{[tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine]chlorocobalt(II)} tetrachlorocobaltate(II) methanol tetrasolvate","Acta Crystallographica Section E","2005","61","6","m1067","m1069","10.1107/S1600536805014066","","","0.71073","MoKα","","0.1973","0.0917","","","0.2237","0.2593","","","","","","0.941","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205949","22.075","0.003","22.075","0.003","22.075","0.003","90","","90","","90","","10757","3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","sodium tris(acetylacetonato-κ^2^O,O')manganese(II)","","- C15 H21 Mn Na O6 -","- C15 H21 Mn Na O6 -","- C360 H504 Mn24 Na24 O144 -","24","1","HB6197","Saha, Amrita; Musie, Ghezai; Powell, Douglas R.","Sodium tris(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')manganese(II)","Acta Crystallographica Section E","2005","61","6","m1144","m1146","10.1107/S1600536805015205","","","0.71073","MoKα","","0.0438","0.0386","","","0.1079","0.1129","","","","","","1.007","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205950","11.5641","0.0005","10.2592","0.0005","12.7556","0.0006","90","","90.3721","0.0012","90","","1513.27","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua(5-nitro-1H-benzimidazole-κN^3^)(oxydiacetato-κO,O',O'')cobalt(II) monohydrate","","- C11 H15 Co N3 O10 -","- C11 H15 Co N3 O10 -","- C44 H60 Co4 N12 O40 -","4","1","HB6199","Bing-Yu Zhang; Jia-Geng Liu; Duan-Jun Xu","Diaqua(5-nitro-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(oxydiacetato-κ<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II) monohydrate","Acta Crystallographica Section E","2005","61","6","m1128","m1130","10.1107/S1600536805014947","","","0.71073","MoKα","","0.053","0.042","","","0.106","0.11","","","","","","1.097","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2205951","8.2904","0.0006","14.2195","0.0008","16.955","0.0007","90","","90.615","0.004","90","","1998.6","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Chlorobis(dimethylglyoximato)(isonicotinic acid)cobalt(III) monohydrate","","- C14 H21 Cl Co N5 O7 -","- C14 H20 Cl Co N5 O7 -","- C56 H80 Cl4 Co4 N20 O28 -","4","2","HB6201","Shen, Xu-Jie; Xiao, Li-Ping; Xu, Ru-Ren","Chlorobis(dimethylglyoximato)(isonicotinic acid)cobalt(III) monohydrate","Acta Crystallographica Section E","2005","61","6","m1156","m1158","10.1107/S1600536805015424","","","0.71073","MoKα","","0.0701","0.0442","","","0.0771","0.0846","","","","","","0.896","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205952","15.8286","0.0011","21.2483","0.0016","6.7247","0.0009","90","","90","","90","","2261.7","0.4","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","poly[[aquatri-μ~3~-iminodiacetato-cadmium(III)] trihydrate]","","- C12 H23 Cd3 N3 O16 -","- C12 H21 Cd3 N3 O16 -","- C48 H84 Cd12 N12 O64 -","4","0.5","HB6206","Bing-Xin Liu; Duan-Jun Xu","A two-dimensional cadmium(II)‒iminodiacetate polymer","Acta Crystallographica Section E","2005","61","6","m1218","m1220","10.1107/S1600536805015801","","","0.71073","MoKα","","0.034","0.033","","","0.061","0.061","","","","","","1.266","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2205953","22.2083","0.0002","12.8446","0.0001","33.9272","0.0005","90","","107.568","0.0005","90","","9226.57","0.18","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorotris(triphenylphosphine)ruthenium(II) dichloromethane hemisolvate","","- C54.5 H46 Cl3 P3 Ru -","- C54.5 H46 Cl3 P3 Ru -","- C436 H368 Cl24 P24 Ru8 -","8","1","HB6207","Cowley, Andrew R.; Dilworth, Jonathan R.; Maresca von Beckh W., Carlo A.","Dichlorotris(triphenylphosphine)ruthenium(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2005","61","6","m1237","m1239","10.1107/S1600536805016272","","","0.71073","MoKα","","0.0825","0.0387","","0.0777","0.0412","0.0412","","","","","","1.113","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2205954","6.47","0.002","7.814","0.002","12.035","0.002","97.7","0.03","101.9","0.03","104.88","0.03","564.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-cyclohexyliminomethylphenolato)zinc(II)","","- C26 H32 N2 O2 Zn -","- C26 H32 N2 O2 Zn -","- C26 H32 N2 O2 Zn -","1","0.5","HB6208","Hou, Han-Na","Bis[2-(cyclohexyliminomethyl)phenolato]zinc(II)","Acta Crystallographica Section E","2005","61","6","m1197","m1198","10.1107/S1600536805015990","","","0.71073","MoKα","","0.0396","0.0387","","","0.104","0.105","","","","","","1.14","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205955","6.1837","0.0011","15.147","0.002","17.536","0.002","90","","90","","90","","1642.5","0.4","133","2","133","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","2,5,2'',5''-Tetramethyl-p-terphenyl","","- C22 H22 -","- C22 H22 -","- C88 H88 -","4","1","HB6209","Jones, Peter G.; Kuś, Piotr; Pasewicz, Anna","2,5,2'',5''-Tetramethyl-<i>p</i>-terphenyl","Acta Crystallographica Section E","2005","61","6","o1895","o1896","10.1107/S1600536805016259","","","0.71073","MoKα","","0.0545","0.045","","","0.1167","0.1222","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205956","9.016","0.002","11.1672","0.0014","13.243","0.003","78.47","0.01","80.58","0.03","84.82","0.01","1286.5","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Benzimidazolium bis(1H-benzimidazole-κN^3^)chloro(oxydiacetato-κ^3^O,O',O'')cadium(II)","","- C25 H23 Cd Cl N6 O5 -","- C25 H23 Cd Cl N6 O5 -","- C50 H46 Cd2 Cl2 N12 O10 -","2","1","HB6210","Gaduo; Jian-Rong Su; Duan-Jun Xu","Benzimidazolium bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)chloro(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cadmium(II)","Acta Crystallographica Section E","2005","61","6","m1231","m1233","10.1107/S1600536805016478","","","0.71073","MoKα","","0.024","0.021","","","0.052","0.053","","","","","","1.08","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205957","6.4667","0.0002","10.5817","0.0005","17.1328","0.0008","90","","96.411","0.002","90","","1165.04","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[NH3(CH2)2NH(CH2)2NH3].(AlF6).2H2O","diethylenetriamine hexafluoroaluminate dihydrate","","- C4 H20 Al F6 N3 O2 -","- C4 H20 Al F6 N3 O2 -","- C16 H80 Al4 F24 N12 O8 -","4","1","HG6160","K. Adil; J. Marrot; M. Leblanc; V. Maisonneuve","Diethylenetriaminium hexafluoroaluminate dihydrate","Acta Crystallographica Section E","2005","61","6","m1178","m1180","10.1107/S160053680501559X","","","0.71073","MoKα","","0.0755","0.0629","","","0.1949","0.207","","","","","","1.121","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205958","18.2331","0.0017","15.3467","0.0014","9.5134","0.0009","90","","90","","90","","2662","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,10,18,25,31,32-hexaazapentacyclo[25.3.1.1^12,16^.0^4,9^.0^19,24^]dotriconta- 1(30),4,6,8,12,14,16(32),19,21,23,27(31),28-dodecaene-2,11,17,26-tetrone dimethylformamide solvate","","- C29 H25 N7 O5 -","- C29 H25 N7 O5 -","- C116 H100 N28 O20 -","4","0.5","HG6173","Jun Lin; Hao Lin; Jing-Wen Chen; Zi-Jian Guo","Bis[<i>N</i>,<i>N</i>'-<i>o</i>-phenylenebis(pyridine-2,6-dicarboxamide)] dimethylformamide solvate","Acta Crystallographica Section E","2005","61","6","o1592","o1594","10.1107/S1600536805013322","","","0.71073","MoKα","","0.0914","0.0465","","","0.0891","0.0977","","","","","","0.963","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205959","15.5003","0.0004","6.4005","0.0001","20.1552","0.0005","90","","110.04","0.0011","90","","1878.53","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(cycloheptylaminium) hydrogenarsenate monohydrate","","- C14 H35 As N2 O5 -","- C14 H35 As N2 O5 -","- C56 H140 As4 N8 O20 -","4","1","HG6174","Todd, Malcolm J.; Harrison, William T. A.","Bis(cycloheptylaminium) hydrogenarsenate monohydrate","Acta Crystallographica Section E","2005","61","6","m1024","m1026","10.1107/S1600536805012912","","","0.71073","MoKα","","0.0394","0.0284","","","0.063","0.0681","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205960","11.5494","0.0007","6.1399","0.0004","11.6601","0.0006","90","","92.213","0.003","90","","826.23","0.08","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Propane-1,2-diaminium selenite monohydrate","","- C3 H14 N2 O4 Se -","- C3 H14 N2 O4 Se -","- C12 H56 N8 O16 Se4 -","4","1","HG6175","Todd, Malcolm J.; Harrison, William T. A.","Propane-1,2-diaminium selenite monohydrate","Acta Crystallographica Section E","2005","61","6","o1538","o1540","10.1107/S160053680501278X","","","0.71073","MoKα","","0.039","0.0299","","","0.0644","0.068","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205961","9.4575","0.0008","21.398","0.002","7.1568","0.0006","90","","110.639","0.001","90","","1355.4","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[bis[aquacopper(I)-μ-4,4'-bipyridine-κ^2^N:N'] terephthalate dihydrate]","","- C28 H28 Cu2 N4 O8 -","- C28 H28 Cu2 N4 O8 -","- C56 H56 Cu4 N8 O16 -","2","0.5","HG6176","Zhang, Xue-Li; Lu, Yu-Juan; Li, Ji-Zhen; Ng, Seik Weng","<i>catena</i>-Poly[bis[aquacopper(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] terephthalate dihydrate]","Acta Crystallographica Section E","2005","61","6","m1061","m1062","10.1107/S1600536805013929","","","0.71073","MoKα","","0.054","0.042","","","0.106","0.113","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205962","11.568","0.001","9.78","0.001","7.6255","0.0007","90","","91.286","0.003","90","","862.49","0.14","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Hexaaquazinc(II) bis(6-hydroxypyridine-3-carboxylate)","","- C12 H20 N2 O12 Zn -","- C12 H20 N2 O12 Zn -","- C24 H40 N4 O24 Zn2 -","2","0.25","HG6177","Zhang, Xue-Li; Lu, Yu-Juan; Li, Ji-Zhen; Ng, Seik Weng","Hexaaquazinc(II) bis(6-hydroxypyridine-3-carboxylate)","Acta Crystallographica Section E","2005","61","6","m1063","m1064","10.1107/S1600536805013917","","","0.71073","MoKα","","0.038","0.038","","","0.106","0.107","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205963","7.0588","0.0006","8.3638","0.0006","10.569","0.0008","112.301","0.001","94.096","0.001","104.93","0.001","547.73","0.07","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[bis(μ-1,10-phenanthrolin-2-olato- κ^3^N,N':O)dicopper(I,II)(Cu—Cu)]-μ-chloro-copper(I)-μ-chloro]","","- C24 H14 Cl2 Cu3 N4 O2 -","- C24 H14 Cl2 Cu3 N4 O2 -","- C24 H14 Cl2 Cu3 N4 O2 -","1","0.5","HG6178","Zheng, Yan-Zhen; Ng, Seik Weng","<i>catena</i>-Poly[[bis(μ-1,10-phenanthrolin-2-olato-κ^3^<i>N,N</i>':<i>O</i>)dicopper(I,II)(<i>Cu{—</i>Cu})]-μ-chlorocopper(I)-μ-chloro]","Acta Crystallographica Section E","2005","61","6","m1030","m1032","10.1107/S1600536805013632","","","0.71073","MoKα","","0.035","0.032","","","0.088","0.091","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205964","7.38","0.003","8.139","0.003","13.781","0.005","78.224","0.005","87.913","0.006","68.28","0.005","752.1","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","Methyl linderone","4,5-Dimethoxy-2-(1-methoxy-3-phenylallylidine)cyclcopent-4-ene-1,3-dione","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","HG6179","Syah, Yana M.; Suastri, Nyoman S.; Latip, Jalifah; Yamin, Bohari M.","4,5-Dimethoxy-2-(1-methoxy-3-phenylallylidene)cyclopent-4-ene-1,3-dione (methyl linderone)","Acta Crystallographica Section E","2005","61","6","o1530","o1531","10.1107/S1600536805012833","","","0.71073","MoKα","","0.062","0.054","","","0.143","0.149","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205965","8.2148","0.0008","14.31","0.002","16.816","0.0017","90","","90","","90","","1976.8","0.4","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,3S,4R)-1,2,4,5-Tetraacetoxy-3-methoxypentyl acetate","","- C16 H24 O11 -","- C16 H24 O11 -","- C64 H96 O44 -","4","1","HG6181","V. Valdivia, Verónica; Sosa-Rivadeneyra, Martha; Quintero, Leticia; Bernès, Sylvain","(2<i>R</i>,3<i>S</i>,4<i>R</i>)-1,2,4,5-Tetraacetoxy-3-methoxypentyl acetate","Acta Crystallographica Section E","2005","61","6","o1643","o1645","10.1107/S1600536805013036","","","0.71073","MoKα","","0.0584","0.0395","","","0.098","0.1079","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205966","5.8352","0.0011","8.0741","0.0014","34.311","0.007","90","","90","","90","","1616.5","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[3-(1,2,4-Triazol-1-yl)propionyl]phenyl 4-fluorobenzoate","","- C18 H14 F N3 O3 -","- C18 H14 F N3 O3 -","- C72 H56 F4 N12 O12 -","4","1","HG6182","Wei-Hua Li; Guo-Dong Si; Bao-Rong Hou; Zhi-Gang Yu; Fa-Qian Liu; Yong-Qi Qin","4-[3-(1,2,4-Triazol-1-yl)propionyl]phenyl 4-fluorobenzoate","Acta Crystallographica Section E","2005","61","6","o1788","o1789","10.1107/S1600536805014881","","","0.71073","MoKα","","0.0783","0.0365","","","0.0754","0.0925","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205967","4.516","0.001","11.618","0.002","11.481","0.002","90","","91.43","0.02","90","","602.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[Bis(4,5-hydroxymethyl)-1,2,3-triazol-1-ylmethyl]thymine","","- C10 H13 N5 O4 -","- C10 H13 N5 O4 -","- C20 H26 N10 O8 -","2","1","HG6184","Stash, Adam I.; Zavodnik, Valery E.; Zavgorodny, Sergei G.; Gurskaya, Galina V.; Tsirelson, Vladimir G.","1-[4,5-Bis(hydroxymethyl)-1,2,3-triazol-1-ylmethyl]thymine","Acta Crystallographica Section E","2005","61","6","o1721","o1723","10.1107/S1600536805014650","","","0.71073","MoKα","","0.0389","0.0303","","","0.0835","0.0864","","","","","","1.036","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205968","6.572","0.0009","14.3913","0.0002","30.5468","0.0003","90","","90","","90","","2889.1","0.4","295","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 3,5-O-bis(4-chlorobenzoyl)-2-deoxy-α-D-erythro-ribofuranoside","","- C29 H34 Cl2 O6 -","- C29 H34 Cl2 O6 -","- C116 H136 Cl8 O24 -","4","1","HG6185","Guo-Ming Yang; Zhi-Cai Shang; Yun Wang; Qin-Sen Yu","(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexyl 3,5-bis-<i>O</i>-(4-chlorobenzoyl)-2-deoxy-α-<small>D</small>-<i>erythro</i>-ribofuranoside","Acta Crystallographica Section E","2005","61","6","o1963","o1964","10.1107/S1600536805015503","","","0.71073","MoKα","","","0.0368","","","","0.0725","","","","","","0.991","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205969","9.854","0.001","12.316","0.001","12.488","0.001","79.928","0.01","77.248","0.01","66.719","0.01","1351.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","12-Bromo-1,2,3,4-tetrahydro-1,4-ethanoantracen-11-ol","","- C16 H15 Br O -","- C16 H15 Br O -","- C64 H60 Br4 O4 -","4","2","HG6187","Çoruh, Ufuk; Altundaş, Aliye; Menzek, Abdullah; García-Granda, Santiago","12-Bromo-1,2,3,4-tetrahydro-1,4-ethanoanthracen-11-ol","Acta Crystallographica Section E","2005","61","6","o1869","o1871","10.1107/S160053680501576X","","","0.71073","MoKα","","0.0418","0.0376","","","0.1006","0.1038","","","","","","1.098","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205970","7.336","0.004","6.607","0.004","10.092","0.006","90","","96.387","0.009","90","","486.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-chloro-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine","","- C9 H9 Cl N4 -","- C9 H9 Cl N4 -","- C18 H18 Cl2 N8 -","2","0.5","HG6189","Wei-Min Liu; You-Quan Zhu; Yi-Feng Wang; Gong-Chun Li; Hua-Zheng Yang","2-Chloro-4-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)pyrimidine","Acta Crystallographica Section E","2005","61","6","o1821","o1822","10.1107/S160053680501531X","","","0.71073","MoKα","","0.0519","0.0358","","","0.0947","0.106","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205971","10.2654","0.0015","13.515","0.002","17.23","0.003","90","","90","","90","","2390.4","0.6","294","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dihydro-2,2-dimethylbenzofuran-7-yl N-methylcarbamate","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C96 H120 N8 O24 -","8","2","HG6190","Liang-Zhong Xu; Guan-Ping Yu; Shuang-Hua Yang","2,3-Dihydro-2,2-dimethylbenzofuran-7-yl <i>N</i>-methylcarbamate","Acta Crystallographica Section E","2005","61","6","o1924","o1926","10.1107/S1600536805016387","","","0.71073","MoKα","","0.0796","0.0407","","","0.0899","0.1085","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205972","11.028","0.002","10.4955","0.0009","11.116","0.005","90","","90.37","0.03","90","","1286.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[μ-N-(2,6-dimethylphenyl)acetamidato]bis[dimethylaluminium","","- C24 H36 Al2 N2 O2 -","- C24 H36 Al2 N2 O2 -","- C48 H72 Al4 N4 O4 -","2","0.5","HG6191","John Fawcett; Gregory A. Solan","Bis[μ-<i>N</i>-(2,6-dimethylphenyl)acetamidato]bis(dimethylaluminium)","Acta Crystallographica Section E","2005","61","6","m1210","m1211","10.1107/S1600536805015941","","","0.71073","MoKα","","0.1046","0.0641","","","0.1485","0.1897","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205973","18.856","0.004","9.311","0.0019","5.183","0.001","90","","101.04","0.03","90","","893.1","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","(1R*,2R*)-Di-tert-butyl N,N'-(cyclohexane-1,2-diyl)dicarbamate","(1R*,2R*)-Di-tert-butyl N,N'-(cyclohexane-1,2-diyl)dicarbamate","","- C16 H30 N2 O4 -","- C16 H30 N2 O4 -","- C32 H60 N4 O8 -","2","0.5","HG6193","Light, Mark E.; Andrea Ragusa; Jeremy D. Kilburn","(1<i>R</i>*,2<i>R</i>*)-Di-<i>tert</i>-butyl <i>N</i>,<i>N</i>'-(cyclohexane-1,2-diyl)dicarbamate","Acta Crystallographica Section E","2005","61","6","o1956","o1958","10.1107/S1600536805016715","","","0.71073","MoKα","","0.0413","0.0354","","","0.0758","0.0781","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205974","12.3563","0.0002","8.32","0.0002","11.6818","0.0003","90","","106.275","0.001","90","","1152.82","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2,5-Dichlorophenyl)-N'-[(E)-3-thienylmethylene]hydrazine","","- C11 H8 Cl2 N2 S -","- C11 H8 Cl2 N2 S -","- C44 H32 Cl8 N8 S4 -","4","1","HG6195","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","<i>N</i>-(2,5-Dichlorophenyl)-<i>N</i>'-[(<i>E</i>)-3-thienylmethylene]hydrazine","Acta Crystallographica Section E","2005","61","6","o1907","o1909","10.1107/S160053680501634X","","","0.71073","MoKα","","0.0547","0.0377","","","0.1002","0.1089","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205975","9.3172","0.0007","11.5055","0.0009","16.3424","0.0013","104.677","0.006","105.307","0.006","103.098","0.006","1551.6","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","1,3,5-Tris(2-isopropylphenoxymethyl)benzene","","- C36 H42 O3 -","- C36 H42 O3 -","- C72 H84 O6 -","2","1","HK6003","Deveci, Özlem; Işık, Şamil; Akdemir, Nesuhi; Kantar, Cihan; Ağar, Erbil","1,3,5-Tris(2-isopropylphenoxymethyl)benzene","Acta Crystallographica Section E","2005","61","6","o1724","o1725","10.1107/S1600536805014406","","","0.71073","MoKα","","0.1135","0.0463","","","0.1184","0.1406","","","","","","0.845","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205976","5.1815","0.0004","26.045","0.0019","20.5735","0.0015","90","","91.302","0.002","90","","2775.7","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","carbamazepine furfural hemisolvate","[5H-dibenz[b,f]azepine-5-carboxamide]2-furan carboxaldehyde hemisolvate","","- C17.5 H14 N2 O2 -","- C17.5 H14 N2 O2 -","- C140 H112 N16 O16 -","8","2","HK6007","Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.","Carbamazepine furfural hemisolvate","Acta Crystallographica Section E","2005","61","6","o1777","o1779","10.1107/S1600536805014984","","","0.6902","synchrotron","","0.0947","0.0565","","","0.1315","0.1507","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205977","7.346","0.002","14.306","0.004","8.396","0.002","90","","113.447","0.004","90","","809.5","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2,6-bis(hydroxymethyl)phenol","","- C8 H9 Cl O3 -","- C8 H9 Cl O3 -","- C32 H36 Cl4 O12 -","4","1","HK6008","Chu, Zhao-Lian; Huang, Wei; Gou, Shao-Hua","4-Chloro-2,6-bis(hydroxymethyl)phenol","Acta Crystallographica Section E","2005","61","6","o1624","o1626","10.1107/S1600536805014054","","","0.71073","MoKα","","0.055","0.0391","","","0.0831","0.0886","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205978","10.17","0.003","14.934","0.004","29.568","0.008","90","","90","","90","","4491","2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","bis[(+)-(1R,4R)-3-(trifluoroacetyl)camphorato- κ^2^O,O'][bis(trimethylsilyl)amido-κN](1,3,5-trimethyl-1,3,5- triazacyclohexane-κ^3^N,N',N'')cerium(III)","","- C36 H61 Ce F6 N4 O4 Si2 -","- C36 H61 Ce F6 N4 O4 Si2 -","- C144 H244 Ce4 F24 N16 O16 Si8 -","4","1","HK6011","Niemeyer, Mark; Cristoffers, Jens; Michael Rössle","An optically active heteroleptic cerium camphorate: [bis(trimethylsilyl)amido-κ<i>N</i>]bis[(+)-(1<i>R</i>,4<i>R</i>)-3-(trifluoroacetyl)camphorato-κ^2^<i>O</i>,<i>O</i>'](1,3,5-trimethyl-1,3,5-triazacyclohexane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')cerium(III)","Acta Crystallographica Section E","2005","61","6","m1207","m1209","10.1107/S1600536805016193","","","0.71073","MoKα","","0.053","0.041","","","0.097","0.103","","","","","","1.47","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2205979","10.0617","0.0004","14.6001","0.0006","7.5491","0.0003","90","","98.045","0.001","90","","1098.06","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[dimethyltin(IV)]-μ-benzene-1,4-dicarboxylato]","","- C10 H10 O4 Sn -","- C10 H10 O4 Sn -","- C40 H40 O16 Sn4 -","4","1","HK6012","Gong, Ya-Qiong; Wang, Rui-Hu; Lou, Ben-Yong; Hong, Mao-Chun","<i>catena</i>-Poly[[dimethyltin(IV)]-μ-benzene-1,4-dicarboxylato]","Acta Crystallographica Section E","2005","61","6","m1226","m1227","10.1107/S1600536805016466","","","0.71073","MoKα","","0.0411","0.0315","","","0.0761","0.0802","","","","","","0.983","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205980","18.033","0.005","39.553","0.005","7.265","0.005","90","","90","","90","","5182","4","295","","295","","","","","","","","","6","F d d 2","F 2 -2d","43","Bis(adeninium) hexachlorostannate(IV) hydrochloride hydrate","","","- C10 H22 Cl8 N10 O4 Sn -","- C10 H22 Cl8 N10 O4 Sn -","- C80 H176 Cl64 N80 O32 Sn8 -","8","0.5","IS6062","Bouacida, Sofiane; Hocine, Merazig; Beghidja, Adel; Beghidja, Chahrazed","Bis(adeninium) hexachlorostannate(IV) dichloride tetrahydrate","Acta Crystallographica Section E","2005","61","6","m1153","m1155","10.1107/S1600536805015163","","","0.71073","MoKα","","0.0291","0.0266","","","0.0597","0.061","","","","","","1.092","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205981","13.9","0.002","13.9","0.002","16.809","0.003","90","","90","","120","","2812.6","0.8","293","2","293","2","","","","","","","","5","P 64","P 64","172","","Tris(4,4',5,5'-tetramethyl-2,2'-biimidazole)zinc(II) dinitrate","","- C30 H42 N14 O6 Zn -","- C30 H42 N14 O6 Zn -","- C90 H126 N42 O18 Zn3 -","3","0.5","IS6066","Ru-Qiang Zou; Qiang Xu","Tris(4,4',5,5'-tetramethyl-2,2'-biimidazole)zinc(II) dinitrate","Acta Crystallographica Section E","2005","61","6","m1075","m1076","10.1107/S1600536805013954","","","0.71073","MoKα","","0.0592","0.0428","","","0.1034","0.111","","","","","","0.963","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205982","6.0329","0.0005","9.4215","0.001","33.796","0.004","90","","90","","90","","1920.9","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6R,7aS)-1,3,5,6,7,7a-Hexahydro-3-(2-hydroxyphenyl)-1,1- diphenylpyrrolo[1,2-c][1,3]oxazol-6-ol","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","IS6069","Zongxuan Shen; Ding Yi; Yawen Zhang; De-Chun Zhang","(6<i>R</i>,7a<i>S</i>)-1,3,5,6,7,7a-Hexahydro-3-(2-hydroxyphenyl)-1,1-diphenylpyrrolo[1,2-<i>c</i>][1,3]oxazol-6-ol","Acta Crystallographica Section E","2005","61","6","o1715","o1717","10.1107/S1600536805014303","","","0.7107","MoKα","","0.0444","0.0413","","","0.0909","0.0924","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205983","9.7934","0.001","8.4835","0.0009","20.509","0.002","90","","91.098","0.002","90","","1703.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,6-Dibenzoyl-1,3-dimethylbenzene","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","IS6070","Wu, Wen-Yuan; Li, Yong-Xiu; Li, Yi-Zhi","4,6-Dibenzoyl-1,3-dimethylbenzene","Acta Crystallographica Section E","2005","61","6","o1828","o1829","10.1107/S1600536805015497","","","0.71073","MoKα","","0.086","0.0547","","","0.1171","0.125","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205984","10.8281","0.0019","10.8281","0.0019","19.043","0.004","90","","90","","90","","2232.7","0.7","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","Sodium [1,2-bis(2-methyl-2-oxopropanamido)benzene](tetrahydrofuran)manganese(III) methanol solvate","","- C19 H28 Mn N2 Na O6 -","- C19 H28 Mn N2 Na O6 -","- C76 H112 Mn4 N8 Na4 O24 -","4","1","IS6072","Berggren, Gustav; Anderlund, Magnus F.; Magnuson, Ann; Åkermark, Björn; Eriksson, Lars","Sodium [1,2-bis(2-methyl-2-oxopropanamido)benzene](tetrahydrofuran)manganese(III) methanol solvate","Acta Crystallographica Section E","2005","61","6","m1169","m1171","10.1107/S1600536805015230","","","0.71073","MoKα","","0.048","0.0363","","","0.0778","0.082","","","","","","0.976","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205985","10.536","0.002","19.225","0.005","9.5","0.002","90","","97.67","0.02","90","","1907.1","0.7","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(4aR,9aS)-O-(4-Bromobenzoyl)-N-(3-methylanthracen-9-ylidene)hydroxylamine","","- C22 H20 Br N O2 -","- C22 H20 Br N O2 -","- C88 H80 Br4 N4 O8 -","4","2","IS6073","Ohba, Shigeru; Ishida, Naoyuki; Kato, Dai-ichiro; Miyamoto, Kenji; Ohta, Hiromichi","(+)-(4a<i>R</i>,9a<i>S</i>)-<i>O</i>-(4-Bromobenzoyl)-<i>N</i>-(3-methylanthracen-9-ylidene)hydroxylamine","Acta Crystallographica Section E","2005","61","6","o1620","o1621","10.1107/S1600536805013966","","","0.71073","MoKα","","","0.0626","","","","0.2314","","","","","","0.983","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205986","5.2223","0.0013","11.781","0.003","22.738","0.005","90","","90","","90","","1398.9","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(9S)-2-(3-Benzoylthioureido)-3-methylbutyric acid","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C52 H64 N8 O12 S4 -","4","1","IS6074","Ngah, Nurziana; Shah, Nabihah M.; Kassim, Mohammad B.; Yamin, Bohari M.","(2<i>S</i>)-2-(3-Benzoylthioureido)-3-methylbutyric acid","Acta Crystallographica Section E","2005","61","6","o1767","o1768","10.1107/S1600536805014662","","","0.71073","MoKα","","0.037","0.035","","","0.088","0.09","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205987","9.429","0.002","13.055","0.003","13.51","0.003","95.995","0.004","100.673","0.004","96.272","0.004","1611.2","0.6","203.2","","","","","","","","","","","10","P -1","-P 1","2","","Carbonyl(η^5^-cyclopentadienyl)(trimethylsilyl isocyanide)(triphenylphosphine)iron(II) trifluoromethanesulfonate dichloromethane hemisolvate","","- C29.5 H30 Cl F3 Fe N O4 P S Si -","- C29.5 H30 Cl F3 Fe N O4 P S Si -","- C59 H60 Cl2 F6 Fe2 N2 O8 P2 S2 Si2 -","2","1","IS6075","Hiroshi Nakazawa; Masumi Itazaki; Mari Owaribe","Carbonyl(η^5^-cyclopentadienyl)(trimethylsilyl isocyanide)(triphenylphosphine)iron(II) trifluoromethanesulfonate dichloromethane hemisolvate","Acta Crystallographica Section E","2005","61","6","m1172","m1173","10.1107/S1600536805015308","","","0.7107","MoKα","","","0.061","","","","0.154","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205988","15.1206","0.0006","18.5827","0.0008","24.89","0.001","90","","90.033","0.002","90","","6993.6","0.5","203.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Carbonyl(η^5^-cyclopentadienyl)(isocyanotriphenylborate- κC)(triphenylphosphine-κP)iron(II)","","- C43 H35 B Fe N O P -","- C43 H35 B Fe N O P -","- C344 H280 B8 Fe8 N8 O8 P8 -","8","2","IS6076","Hiroshi Nakazawa; Masumi Itazaki; Mari Owaribe","Carbonyl(η^5^-cyclopentadienyl)(isocyanotriphenylborato-κ<i>C</i>)(triphenylphosphine-κ<i>P</i>)iron(II)","Acta Crystallographica Section E","2005","61","6","m1166","m1168","10.1107/S1600536805015369","","","0.7107","MoKα","","","0.0704","","","","0.1165","","","","","","1.161","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205989","8.436","0.001","10.8759","0.0012","12.1904","0.0014","73.9052","0.0018","85.9455","0.0019","81.3899","0.0019","1062","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","4-TPST","2,4,6-Tris(4-pyridylmethylsulfanyl)-1,3,5-triazine monohydrate","","- C21 H20 N6 O S3 -","- C21 H20 N6 O S3 -","- C42 H40 N12 O2 S6 -","2","1","IS6077","Amoore, Jarrod J. M.; Kepert, Cameron J.","2,4,6-Tris(4-pyridylmethylsulfanyl)-1,3,5-triazine monohydrate","Acta Crystallographica Section E","2005","61","6","o1900","o1901","10.1107/S1600536805016132","","","0.71073","MoKα","","0.04","0.0325","","","0.0783","0.0856","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205990","5.549","0.002","17.097","0.007","12.606","0.005","90","","92.647","0.01","90","","1194.7","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Sulfachloropyridazine","4-amino-N-(6-chloro-3-pyridazinyl)-benzenesulfnamide","","- C10 H9 Cl N4 O2 S -","- C10 H9 Cl N4 O2 S -","- C40 H36 Cl4 N16 O8 S4 -","4","1","IS6078","Yan-Shu Tan; Zhen-Feng Chen; Hong Liang; Yong Zhang","Sulfachloropyridazine","Acta Crystallographica Section E","2005","61","6","o1842","o1844","10.1107/S1600536805015576","","","0.7107","MoKα","","0.0491","0.0433","","","0.0965","0.0997","","","","","","1.099","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205991","7.1738","0.0014","6.3367","0.0013","14.782","0.003","90","","90","","90","","672","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","3,4-Methylenedioxy-benzaldehyde","3,4-Methylenedioxybenzaldehyde","","- C8 H6 O3 -","- C8 H6 O3 -","- C32 H24 O12 -","4","0.5","IS6080","Wang, Shui; Wang, Jing-Kang; Chen, Dong-Xiu","3,4-Methylenedioxybenzaldehyde","Acta Crystallographica Section E","2005","61","6","o1888","o1889","10.1107/S160053680501593X","","","0.71073","MoKα","","0.0535","0.0433","","","0.1131","0.1187","","","","","","0.987","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205992","8.4419","0.0004","8.5266","0.0002","22.3912","0.0004","90","","90.584","0.0011","90","","1611.65","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(1H-imidazole-κN^3^)(D,L-malato-κ^3^O,O',O'')nickel(II)","","- C13 H16 N6 Ni O5 -","- C13 H16 N6 Ni O5 -","- C52 H64 N24 Ni4 O20 -","4","1","IS6082","Dong-Dong Lin; Duan-Jun Xu","Tris(1<i>H</i>-imidazole-κ<i>N</i>^3^)(<small>DL</small>-malato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')nickel(II)","Acta Crystallographica Section E","2005","61","6","m1215","m1217","10.1107/S1600536805016004","","","0.71073","MoKα","","0.044","0.037","","","0.086","0.089","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205993","8.9283","0.0012","7.4852","0.0012","20.273","0.003","90","","97.032","0.011","90","","1344.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Acetyl-3-(benzoylamino)-1-benzofuran","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","JH6004","Ocak Ískeleli, Nazan; Kazak, Canan; Kırılmış, Cumhur; Koca, Murat","2-Acetyl-3-(benzoylamino)-1-benzofuran","Acta Crystallographica Section E","2005","61","6","o1571","o1573","10.1107/S1600536805013073","","","0.71073","MoKα","","0.1803","0.0728","","","0.1572","0.1954","","","","","","0.835","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205994","5.4773","0.0015","11.326","0.003","13.726","0.004","86.366","0.004","78.985","0.004","88.921","0.004","834.1","0.4","298","2","273","2","","","","","","","","6","P -1","-P 1","2","","Diaquadiisothiocyanatobis(pyridine N-oxide)cobalt(II)","","- C12 H14 Co N4 O4 S2 -","- C12 H14 Co N4 O4 S2 -","- C24 H28 Co2 N8 O8 S4 -","2","1","JH6006","Shi, Jing Min; Liu Zhe; Lu, Jian Jun; Liu, Lian Dong","Diaquadiisothiocyanatobis(pyridine <i>N</i>-oxide)cobalt(II)","Acta Crystallographica Section E","2005","61","6","m1133","m1134","10.1107/S1600536805014832","","","0.71073","MoKα","","0.0489","0.0432","","","0.115","0.1238","","","","","","1.142","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205995","8.124","0.001","7.2832","0.0005","16.3599","0.0019","90","","101.298","0.009","90","","949.24","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Benzyl 2-(2-chloro-4,5-dicyanophenoxy)benzoate","","- C22 H13 Cl N2 O3 -","- C22 H13 Cl N2 O3 -","- C44 H26 Cl2 N4 O6 -","2","1","JH6007","Ocak Ískeleli, Nazan; Ag̃ar, Ayşen","Benzyl 2-(2-chloro-4,5-dicyanophenoxy)benzoate","Acta Crystallographica Section E","2005","61","6","o1942","o1943","10.1107/S1600536805016648","","","0.71073","MoKα","","0.0621","0.0373","","","0.0978","0.1053","","","","","","0.922","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205996","8.168","0.003","10.933","0.003","28.446","0.008","90","","90","","90","","2540.2","1.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","24-Methylenecholest-4-ene-3β,6β-diol","","- C28 H46 O2 -","- C28 H46 O2 -","- C112 H184 O8 -","4","1","JH6008","Hui Lin; Shi-Hai Xu; Xiang-Chao Zeng; Xiao-Jian Liao","24-Methylenecholest-4-ene-3β,6β-diol","Acta Crystallographica Section E","2005","61","6","o1959","o1960","10.1107/S1600536805016740","","","0.71073","MoKα","","0.1019","0.0613","","","0.1777","0.2153","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205997","7.491","0.003","23.458","0.008","14.302","0.005","90","","104.803","0.006","90","","2429.8","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine-κ^2^N,N')chlorocopper(II) tetrafluoroborate dichloromethane solvate","","- C21 H18 B Cl3 Cu F4 N4 -","- C21 H18 B Cl3 Cu F4 N4 -","- C84 H72 B4 Cl12 Cu4 F16 N16 -","4","1","KP6047","Linfang Jia; Wenfu Fu; Qi Yin; Mingming Yu; Junfeng Zhang; Zhanxian Li","Bis(2,2'-bipyridine-κ^2^<i>N,N</i>')chlorocopper(II) tetrafluoroborate dichloromethane solvate","Acta Crystallographica Section E","2005","61","6","m1039","m1041","10.1107/S1600536805013760","","","0.71073","MoKα","","0.1307","0.0737","","","0.1883","0.2227","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205998","9.171","0.003","9.428","0.002","16.783","0.002","77.19","0.01","75.44","0.01","75.11","0.01","1338.1","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Nafimidone hemihydrate hemihydrochloride","3-methyl-1-[2-(2-naphthyloxy)ethyl]-1H-pyrazol-5-ol hydrochloride monohydrate","","- C30 H27 Cl N4 O3 -","- C30 H27 Cl N4 O3 -","- C60 H54 Cl2 N8 O6 -","2","1","LH6407","Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald","Nafimidone hemihydrate hemihydrochloride","Acta Crystallographica Section E","2005","61","6","o1532","o1533","10.1107/S160053680501158X","","","1.54178","CuKα","","0.0642","0.0525","","","0.1554","0.1623","","","","","","1.18","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205999","11.2668","0.001","16.4542","0.0012","10.8049","0.0009","90","","111.798","0.002","90","","1859.9","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-Cyclopropyl-9-(4-methoxyphenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine- 1,8-dione","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","LH6409","Shu-Jiang Tu; Yan Zhang; Xiao-Jing Zhang","10-Cyclopropyl-9-(4-methoxyphenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2005","61","6","o1885","o1887","10.1107/S1600536805016168","","","0.7107","MoKα","","0.0678","0.0562","","","0.1341","0.1415","","","","","","1.113","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206000","7.1306","0.0014","16.417","0.003","10.2","0.002","90","","99.74","0.03","90","","1176.8","0.4","295","3","295","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[triaquacadmium(II)]-μ-4-carboxylatophenoxyacetato- κ^4^O,O':O'',O''']","","- C9 H12 Cd O8 -","- C9 H12 Cd O8 -","- C36 H48 Cd4 O32 -","4","1","LH6410","Gao, Shan; Gu, Chang-Sheng; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Jing-Gui","<i>catena</i>-Poly[[triaquacadmium(II)]-μ-4-carboxylatophenoxyacetato-κ^4^<i>O,O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2005","61","6","m1092","m1094","10.1107/S1600536805012572","","","0.71073","MoKα","","0.0332","0.0306","","","0.0808","0.0825","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206001","28.83","0.005","10.896","0.002","8.879","0.002","90","","90","","90","","2789.2","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Nafazatrom","3-methyl-1-[2-(2-naphthyloxy)ethyl]-1H-pyrazol-5-ol","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","LH6412","Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald","The enol form of nafazatrom","Acta Crystallographica Section E","2005","61","6","o1544","o1545","10.1107/S1600536805012766","","","1.54178","CuKα","","0.1502","0.0469","","","0.1135","0.1759","","","","","","1.133","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206002","10.331","0.003","11.628","0.004","11.64","0.004","90","","116.034","0.005","90","","1256.4","0.7","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(2,4-Dihydroxybenzoyl)benzoic acid","","- C14 H10 O5 -","- C14 H10 O5 -","- C56 H40 O20 -","4","1","LH6413","Li, Yang; Ge, Feng-Yan; Chen, Li-Gong; Dong, Chuan-Ming; Yan, Xi-Long; Duan, Er-Hong; Zeng, Tao; Zhang, Yue-Cheng; Bai, Guo-Yi","2-(2,4-Dihydroxybenzoyl)benzoic acid","Acta Crystallographica Section E","2005","61","6","o1769","o1770","10.1107/S1600536805014844","","","0.71073","MoKα","","0.0785","0.0485","","","0.1225","0.1459","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206003","5.739","0.002","33.684","0.005","6.003","0.002","90","","106.79","0.04","90","","1111","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Pargyline","N-benzyl-N-methylprop-2-yn-1-aminium chloride","","- C11 H14 Cl N -","- C11 H14 Cl N -","- C44 H56 Cl4 N4 -","4","2","LH6414","Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald","Pargyline hydrochloride: a monoclinic form","Acta Crystallographica Section E","2005","61","6","o1595","o1597","10.1107/S1600536805013309","","","1.54178","CuKα","","0.087","0.0718","","","0.196","0.2064","","","","","","1.522","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206004","5.958","0.002","11.039","0.003","33.596","0.005","90","","90","","90","","2209.6","1","294","2","294","2","","","","","","","","4","P b c 21","P 2c -2b","29","Pargyline","N-benzyl-N-methylprop-2-yn-1-aminium chloride","","- C11 H14 Cl N -","- C11 H14 Cl N -","- C88 H112 Cl8 N8 -","8","2","LH6415","Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald","Pargyline hydrochloride, a monoamine oxidase inhibitor: an orthorhombic form","Acta Crystallographica Section E","2005","61","6","o1598","o1600","10.1107/S1600536805013292","","","1.54178","CuKα","","0.0789","0.0647","","","0.1609","0.1669","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206005","19.6924","0.0004","6.2383","0.0001","23.4415","0.0007","90","","112.474","0.001","90","","2661.01","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Anthracen-9-ylmethyl)dimethylamine","","- C17 H17 N -","- C17 H17 N -","- C136 H136 N8 -","8","2","LH6418","Howie, R. Alan; Wardell, Solange M. S. V.","(Anthracen-9-ylmethyl)dimethylamine at 120 K","Acta Crystallographica Section E","2005","61","6","o1686","o1688","10.1107/S1600536805014200","","","0.71073","MoKα","","0.0977","0.0554","","","0.1219","0.14","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206006","9.7305","0.0009","10.5319","0.001","10.4759","0.001","90","","90.475","0.011","90","","1073.54","0.18","193","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H9 Cl N2 -","- C2 H9 Cl N2 -","- C16 H72 Cl8 N16 -","8","2","LH6419","Merkoulov, Alexei; Harms, Klaus; Sundermeyer, Jörg","1,1-Dimethylhydrazinium chloride","Acta Crystallographica Section E","2005","61","6","o1800","o1801","10.1107/S1600536805014856","","","0.71073","MoKα","","","0.0271","","","","0.0618","","","","","","0.945","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206007","11.4352","0.0015","6.1405","0.0005","11.5469","0.0014","90","","97.785","0.015","90","","803.33","0.16","193","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl (1R,3R)-6-tert-butoxycarbonylamino-1,5-dioxo-2,3-dihydro-5H-1,3- thiazolo[3,2-a]pyridine-3-carboxylate","","- C14 H18 N2 O6 S -","- C14 H18 N2 O6 S -","- C28 H36 N4 O12 S2 -","2","1","LH6420","Seger, Harald; Marsch, Michael; Geyer, Armin; Harms, Klaus","(1<i>R</i>,3<i>R</i>)-Methyl 6-<i>tert</i>-butoxycarbonylamino-1,5-dioxo-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyridine-3-carboxylate","Acta Crystallographica Section E","2005","61","6","o1798","o1799","10.1107/S1600536805014868","","","0.71073","MoKα","","","0.0242","","","","0.0574","","","","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206008","10.2706","0.0001","12.5577","0.0002","13.3708","0.0002","90","","90","","90","","1724.5","0.04","123","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","O^1^,O^2^:O^3^,O^5^-Bis(phenylboranediyl)-α-D-glucofuranose","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","LH6421","Draffin, Scott P.; Duggan, Peter J.; Fallon, Gary D.; Tyndall, Edward M.","<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^5^-Bis(phenylboranediyl)-α-<small>D</small>-glucofuranose","Acta Crystallographica Section E","2005","61","6","o1733","o1735","10.1107/S1600536805014480","","","0.71073","MoKα","","","0.0318","","","","0.07","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206009","52.275","0.003","5.3605","0.0002","14.0209","0.0008","90","","104.952","0.002","90","","3795.9","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","(1R,2R)-N,N'-bis(4-nitrophenylmethylene)cyclohexane-1,2-diamine","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C160 H160 N32 O32 -","8","2","LH6422","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(1<i>R</i>,2<i>R</i>)-<i>N,N</i>'-Bis(4-nitrophenylmethylene)cyclohexane-1,2-diamine","Acta Crystallographica Section E","2005","61","6","o1699","o1701","10.1107/S1600536805014248","","","0.71073","MoKα","","0.1205","0.0602","","","0.1051","0.1243","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206010","14.118","0.002","9.1179","0.0014","16.756","0.003","90","","98.839","0.002","90","","2131.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-aminopyridinium) tetrathiocyanatocobalt(II)","","- C14 H14 Co N8 S4 -","- C14 H14 Co N8 S4 -","- C56 H56 Co4 N32 S16 -","4","1","LH6423","Shi, Jing Min; Zhang, Feng Xia; Lu, Jian Jun; Liu, Lian Dong","Bis(4-aminopyridinium) tetrathiocyanatocobaltate(II)","Acta Crystallographica Section E","2005","61","6","m1181","m1182","10.1107/S1600536805015540","","","0.71073","MoKα","","0.0924","0.0633","","","0.1379","0.1493","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206011","7.0237","0.0003","12.8964","0.0007","13.3517","0.0007","106.63","0.003","101.423","0.003","102.274","0.003","1088.18","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","11-(4-bromophenyl)-10-methyl-8-phenyl-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline","","- C27 H20 Br N3 -","- C27 H20 Br N3 -","- C54 H40 Br2 N6 -","2","1","LH6424","Serrano, Hugo; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","11-(4-Bromophenyl)-10-methyl-8-phenyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinoline","Acta Crystallographica Section E","2005","61","6","o1702","o1703","10.1107/S1600536805014479","","","0.71073","MoKα","","0.102","0.0469","","","0.0878","0.1023","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206012","12.4441","0.0002","12.7433","0.0002","14.5723","0.0002","73.504","0.001","81.836","0.001","85.061","0.001","2190.74","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Fe(TPP)(4-MeHIm)~2~]2(K(222)Cl)","(5-methyl-4H-imidazole)(5,10,15,20-tetraphenylporphyrinato)iron(II) bis[(222-cryptand)potassium(I)] dichloride","","- C88 H112 Cl2 Fe K2 N12 O12 -","- C88 H112 Cl2 Fe K2 N12 O12 -","- C88 H112 Cl2 Fe K2 N12 O12 -","1","0.5","LH6425","Silvernail, Nathan J.; Noll, Bruce C.; Scheidt, W. Robert","A cytochrome b model, [Fe(TPP)(4-MeHIm)~2~][K(222-cryptand)]~2~Cl~2~","Acta Crystallographica Section E","2005","61","6","m1201","m1203","10.1107/S1600536805015989","","","0.71073","MoKα","","0.0563","0.0435","","","0.1199","0.128","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206013","6.506","0.003","9.294","0.004","18.822","0.008","90","","94.781","0.006","90","","1134.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","catena-Poly[[[tetraaquazinc(II)]-μ-[(2E)-N,N'-bis(pyridin-4-ylmethyl)but-2- enediamide]] dinitrate]","catena-Poly[[[tetraaquazinc(II)]-μ-[(2E)-N,N'-bis(pyridin-4-ylmethyl)but-2- enediamide]] dinitrate]","","- C16 H24 N6 O12 Zn -","- C16 H24 N6 O12 Zn -","- C32 H48 N12 O24 Zn2 -","2","0.5","LH6427","Gareth O. Lloyd","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-[(2<i>E</i>)-<i>N,N</i>'-bis(pyridin-4-ylmethyl)but-2-enediamide]] dinitrate]","Acta Crystallographica Section E","2005","61","6","m1204","m1206","10.1107/S1600536805015291","","","0.71073","MoKα","","0.0389","0.031","","","0.0767","0.0806","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206014","6.946","0.002","10.204","0.002","12.088","0.004","90","","90","","90","","856.8","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Acetoxy-1-acetyl-3-pyrrolin-2-one","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","LH6429","Tooke, Duncan M.; Lutz, Martin; Spek, Anthony L.","5-Acetoxy-1-acetyl-3-pyrrolin-2-one","Acta Crystallographica Section E","2005","61","6","o1877","o1879","10.1107/S160053680501545X","","","0.71073","MoKα","","0.0699","0.0415","","","0.0795","0.0897","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206015","9.4952","0.0002","13.2026","0.0003","31.5269","0.0006","90","","90","","90","","3952.25","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyclo-tetrakis{μ~2~-[(dimethylamino)methyl]phenyl-κ^3^C^2^:C^2^,N}copper tetrahydrofuran solvate","cyclo-tetrakis{μ~2~-[(dimethylamino)methyl]phenyl-κ^3^C^2^:C^2^,N}copper tetrahydrofuran solvate","","- C40 H56 Cu4 N4 O -","- C40 H56 Cu4 N4 O -","- C160 H224 Cu16 N16 O4 -","4","1","LH6430","Tooke, Duncan M.; Lutz, Martin; Spek, Anthony L.","A second polymorph of <i>cyclo</i>-tetrakis{μ~2~-[(dimethylamino)methyl]phenyl-κ^3^<i>C</i>^2^:<i>C</i>^2^,<i>N</i>}copper tetrahydrofuran solvate","Acta Crystallographica Section E","2005","61","6","m1245","m1247","10.1107/S1600536805016685","","","0.71073","MoKα","","0.0201","0.0187","","","0.0438","0.0448","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206016","8.7413","0.0004","9.0199","0.0005","12.8984","0.0005","93.027","0.003","98.039","0.003","90.032","0.002","1005.55","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-(2,4-Dimethylphenyl)-4-isopropyl-1-methylisoquinolinium hexafluorophosphate","","- C21 H24 F6 N P -","- C21 H24 F6 N P -","- C42 H48 F12 N2 P2 -","2","1","LH6431","Tooke, Duncan M.; Lutz, Martin; Spek, Anthony L.","2-(2,4-Dimethylphenyl)-4-isopropyl-1-methylisoquinolinium hexafluorophosphate","Acta Crystallographica Section E","2005","61","6","o1875","o1876","10.1107/S1600536805015461","","","0.71073","MoKα","","0.0855","0.0481","","","0.111","0.1241","","","","","","0.992","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206017","10.707","0.006","12.103","0.008","10.8","0.006","90","","91.25","0.05","90","","1399.2","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4',5',6',7'-Tetrachlorospiro[cyclohex-2-ene-1,2'-indan]-1',3'-dione","","- C14 H8 Cl4 O2 -","- C14 H8 Cl4 O2 -","- C56 H32 Cl16 O8 -","4","1","LH6435","McSweeney, Nigel; Pratt, Albert C.; Long, Conor; Howie, R. Alan","4',5',6',7'-Tetrachlorospiro[cyclohex-2-ene-1,2'-indan]-1',3'-dione","Acta Crystallographica Section E","2005","61","6","o1904","o1906","10.1107/S1600536805015904","","","0.71073","MoKα","","0.141","0.0704","","","0.1691","0.1977","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206018","14.6729","0.0005","17.8962","0.0006","16.2619","0.0003","90","","90","","90","","4270.2","0.2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-di-2-thienylpentane-1,5-dione","","- C23 H19 Cl N2 O2 S2 -","- C23 H19 Cl N2 O2 S2 -","- C184 H152 Cl8 N16 O16 S16 -","8","1","LH6436","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-di-2-thienylpentane-1,5-dione: centrosymmetric dimers formed by C—H···π(thiophene) hydrogen bonds","Acta Crystallographica Section E","2005","61","6","o1892","o1894","10.1107/S1600536805015886","","","0.71073","MoKα","","0.0886","0.0456","","","0.1006","0.1172","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206019","9.4722","0.0004","6.9227","0.0002","11.7322","0.0003","90","","103.203","0.003","90","","748.98","0.04","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","saccharin","Saccharin","","- C7 H5 N O3 S -","- C7 H5 N O3 S -","- C28 H20 N4 O12 S4 -","4","1","LH6438","Wardell, James L.; Low, John N.; Glidewell, Christopher","Saccharin, redetermined at 120K: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section E","2005","61","6","o1944","o1946","10.1107/S1600536805016600","","","0.71073","MoKα","","0.0461","0.0387","","","0.089","0.092","","","","","","1.107","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206020","21.8382","0.0008","21.8382","0.0008","21.8382","0.0008","90","","90","","90","","10414.8","0.7","291","2","291","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","cerium palladium indide","cerium palladium indide","","- Ce20 In67 Pd36 -","- Ce20 In67 Pd36 -","- Ce80 In268 Pd144 -","4","0.0416667","MG6031","Tursina, Anna I.; Nesterenko, Sergei N.; Noël, Henri; Seropegin, Yuri D.","A new ternary indide, Ce~20~Pd~36~In~67~","Acta Crystallographica Section E","2005","61","6","i99","i101","10.1107/S1600536805013048","","","0.71073","MoKα","","0.0395","0.0339","","","0.0724","0.0792","","","","","","1.256","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206021","11.6495","0.0006","11.6495","0.0006","4.5128","0.0008","90","","90","","90","","612.44","0.12","291","2","291","2","","","","","","","","5","I -4","I -4","82","cadmium mercury selenocyanate","cadmium mercury selenocyanate","","- C4 Cd Hg N4 Se4 -","- C4 Cd Hg N4 Se4 -","- C8 Cd2 Hg2 N8 Se8 -","2","0.25","MG6034","Sun, Hai-Qing; Yu, Wen-Tao; Yuan, Duo-Rong; Wang, Xin-Qiang; Xue, Gang","Cadmium mercury selenocyanate, CdHg(SeCN)~4~","Acta Crystallographica Section E","2005","61","6","i111","i112","10.1107/S1600536805015771","","","0.71073","MoKα","","0.0522","0.047","","","0.1144","0.1187","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206022","6.9463","0.0008","7.2563","0.0009","15.0697","0.0018","90","","94.791","0.002","90","","756.93","0.16","293","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cadmium polysilicate","tricadmium trisilicate","","- Cd3 O9 Si3 -","- Cd3 O9 Si3 -","- Cd12 O36 Si12 -","4","1","MG6035","Weil, Matthias","Parawollastonite-type Cd~3~[Si~3~O~9~]","Acta Crystallographica Section E","2005","61","6","i102","i104","10.1107/S1600536805015278","","","0.71073","MoKα","","0.0281","0.0235","","","0.0583","0.0639","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206023","12.2953","0.0008","5.0596","0.0003","15.9134","0.0009","90","","106.202","0.007","90","","950.64","0.11","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","lutetium oxotellurate","lutetium(III) oxotellurate(IV)","","- Lu2 O11 Te4 -","- Lu2 O11 Te4 -","- Lu8 O44 Te16 -","4","0.5","MG6036","Höss, Patrick; Starkulla, Gundula; Schleid, Thomas","Lutetium(III) oxotellurate(IV), Lu~2~Te~4~O~11~","Acta Crystallographica Section E","2005","61","6","i113","i115","10.1107/S1600536805016090","","","0.71069","MoKα","","0.0618","0.0336","","","0.0643","0.0739","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206024","8.845","0.003","13.335","0.005","5.5203","0.001","90","","95.1","0.02","90","","648.5","0.3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2-nitrobenzenesulfonyl)-L-alanine methyl ester","","- C10 H12 N2 O6 S -","- C10 H12 N2 O6 S -","- C20 H24 N4 O12 S2 -","2","1","NC6028","Laurent F. Bornaghi; Sally-Ann Poulsen; Peter C. Healy; Alan R. White","<i>N</i>-(2-Nitrobenzenesulfonyl)-<small>L</small>-alanine methyl ester","Acta Crystallographica Section E","2005","61","6","o1665","o1667","10.1107/S1600536805014315","","","0.7107","MoKα","","0.0549","0.0357","","","0.0962","0.1055","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206025","7.388","0.002","9.2652","0.0015","15.117","0.004","90","","100.37","0.03","90","","1017.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-Ethyl-2,3-dimethylimidazoliumbromide*H~2~O","1-Ethyl-2,3-dimethylimidazolium bromide monohydrate","","- C7 H15 Br N2 O -","- C7 H15 Br N2 O -","- C28 H60 Br4 N8 O4 -","4","1","NC6030","Babai, Arash; Mudring, Anja","1-Ethyl-2,3-dimethylimidazolium bromide monohydrate","Acta Crystallographica Section E","2005","61","6","o1534","o1535","10.1107/S1600536805012948","","","0.71073","MoKα","","0.0893","0.0541","","","0.1477","0.1681","","","","","","1.046","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206026","8.8003","0.0002","9.2012","0.0002","9.3735","0.0003","64.6999","0.0016","76.052","0.0015","83.7398","0.0018","665.95","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","10-Methoxydibenz[b,f]azepine-5-carboxamide","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","NC6031","Basavegowda Nagaraj; Hemmige S. Yathirajan; Rajenahally S. Narasegowda; Padmarajaiah Nagaraja; Daniel E. Lynch","10-Methoxydibenz[<i>b</i>,<i>f</i>]azepine-5-carboxamide","Acta Crystallographica Section E","2005","61","6","o1760","o1761","10.1107/S1600536805014601","","","0.71073","MoKα","","0.0604","0.0497","","","0.1287","0.136","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206027","7.0452","0.0003","11.2345","0.0004","11.7627","0.0005","91.838","0.002","96.23","0.002","98.71","0.001","913.72","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","ethylenediaminium‒3,5-dinitrobenzoate‒3,5-dinitrobenzoic acid (1/2/2), C~2~H~10~N~2~^2+^.2C~7~H~3~N~2~O~6~^-^.2C~7~H~4~N~2~O~6~","","- C30 H24 N10 O24 -","- C30 H24 N10 O24 -","- C30 H24 N10 O24 -","1","0.5","NG6162","Jones, Helen P.; Gillon, Amy L.; Davey, Roger J.","A co-crystal of ethylenediammonium bis(3,5-dinitrobenzoate) and 3,5-dinitrobenzoic acid","Acta Crystallographica Section E","2005","61","6","o1823","o1825","10.1107/S1600536805015333","","","0.71073","MoKα","","0.072","0.0458","","","0.1196","0.1355","","","","","","1.011","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2206028","9.58","0.003","9.552","0.002","13.677","0.004","90","","99.489","0.004","90","","1234.4","0.6","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate","","- C12 H17 N O2 S -","- C12 H17 N O2 S -","- C48 H68 N4 O8 S4 -","4","1","OB6500","K. A. Nirmala; Vasu; Deepak Chopra; S. Mohan; M. Raghu Prasad","Ethyl 2-amino-5,6,7,8-tetrahydro-4<i>H</i>-cyclohepta[<i>b</i>]thiophene-3-carboxylate","Acta Crystallographica Section E","2005","61","6","o1541","o1543","10.1107/S1600536805012808","","","0.71073","MoKα","","0.0428","0.0383","","","0.0981","0.1016","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206029","10.618","0.003","16.224","0.004","6.9661","0.0015","90","","90","","90","","1200","0.5","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","(4aS*,7aR*)-2,10-Dioxoperhydrobenzo[d]naphthalene","(4aS*,7aR*)-2,10(3H,11H)-Dioxooctahydro-1H-benzo[d]naphthalene","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","OB6505","Thompson, Hugh W.; Lalancette, Roger A.","(4a<i>S</i>*,7a<i>R</i>*)-2,10-Dioxoperhydrobenzo[<i>d</i>]naphthalene","Acta Crystallographica Section E","2005","61","6","o1614","o1616","10.1107/S1600536805013759","","","0.71073","MoKα","","0.09","0.045","","","0.074","0.086","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206030","13.973","0.003","11.203","0.002","12.83","0.003","90","","102.367","0.004","90","","1961.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[diaqua(6-carboxypyridine-2-carboxylato- κ^3^N,O,O')samarium(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^N,O,O':O''] tetrahydrate]","","- C14 H19 N2 O14 Sm -","- C14 H19 N2 O14 Sm -","- C56 H76 N8 O56 Sm4 -","4","1","OB6508","Liu, San-Hui; Li, Yi-Zhi; Meng, Qing-Jin","<i>catena</i>-Poly[[[diaqua(6-carboxypyridine-2-carboxylato-κ^3^<i>N,O,O</i>')samarium(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>N,O,O</i>':<i>O</i>''] tetrahydrate]","Acta Crystallographica Section E","2005","61","6","m1111","m1113","10.1107/S1600536805012894","","","0.71073","MoKα","","0.0842","0.0622","","","0.149","0.156","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206031","8.762","0.001","6.7707","0.0008","19.841","0.002","90","","96.515","0.002","90","","1169.5","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triaqua(2-carboxylatophenoxyactetato)cobalt(II)","","- C9 H12 Co O8 -","- C9 H12 Co O8 -","- C36 H48 Co4 O32 -","4","1","OB6510","Meng, Fa-Yan; Zhu, Li-Hong; Zeng, Ming-Hua; Ng, Seik Weng","<i>mer</i>-Triaqua(2-carboxylatophenoxyacetato)cobalt(II)","Acta Crystallographica Section E","2005","61","6","m1126","m1127","10.1107/S1600536805012961","","","0.71073","MoKα","","0.037","0.028","","","0.074","0.078","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206032","5.1003","0.0013","9.244","0.003","15.274","0.004","102.2","0.5","90.64","0.02","99.87","0.02","692.6","1.4","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C32 H28 N4 O8 -","2","1","OB6511","Shunsuke Ueda; Takeo Fukunaga; Hiroyuki Ishida","Benzimidazolium hydrogen phenylmalonate","Acta Crystallographica Section E","2005","61","6","o1845","o1847","10.1107/S1600536805013656","","","0.71073","MoKα","","0.13","0.059","","0.214","","0.214","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206033","33.257","0.004","4.2682","0.0006","21.589","0.003","90","","123.872","0.007","90","","2544.4","0.6","93.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,9-Dichloroquino[2,3-b]acridine-7,14(5H,12H)-dithione dimethylformamide disolvate","","- C26 H24 Cl2 N4 O2 S2 -","- C26 H24 Cl2 N4 O2 S2 -","- C104 H96 Cl8 N16 O8 S8 -","4","0.5","OB6512","Senju, Takatoshi; Hoki, Tomonori; Mizuguchi, Jin","2,9-Dichloroquino[2,3-<i>b</i>]acridine-7,14(5<i>H</i>,12<i>H</i>)-dithione dimethylformamide disolvate","Acta Crystallographica Section E","2005","61","6","o1617","o1619","10.1107/S1600536805013334","","","1.5418","CuKα","","","0.034","","","","0.096","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206034","12.454","0.005","7.807","0.002","12.825","0.005","90","","105.269","0.005","90","","1202.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ-3-pyridinecarboxylato-κ^3^N,O:O')cadmium(II)]","","- C12 H8 Cd N2 O4 -","- C12 H8 Cd N2 O4 -","- C48 H32 Cd4 N8 O16 -","4","1","OB6513","Liang, Yong; Li, Wei","Poly[bis(μ-3-pyridinecarboxylato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>')cadmium(II)]","Acta Crystallographica Section E","2005","61","6","m1135","m1137","10.1107/S1600536805014698","","","0.71073","MoKα","","0.0408","0.0367","","","0.1239","0.1297","","","","","","1.211","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206035","11.609","0.001","9.754","0.001","7.6157","0.0008","90","","91.448","0.002","90","","862.08","0.15","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Hexaaquacobalt(II) bis(6-hydroxypyridine-3-carboxylate)","","- C12 H20 Co N2 O12 -","- C12 H20 Co N2 O12 -","- C24 H40 Co2 N4 O24 -","2","0.25","OB6516","Zhang, Xue-Li; Ng, Seik Weng","Hexaaquacobalt(II) bis(6-hydroxypyridine-3-carboxylate)","Acta Crystallographica Section E","2005","61","6","m1140","m1141","10.1107/S1600536805014911","","","0.71073","MoKα","","0.055","0.054","","","0.159","0.159","","","","","","1.19","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2206036","11.556","0.001","9.767","0.001","7.5422","0.0008","90","","91.32","0.002","90","","851.04","0.15","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Hexaaquanickel(II) bis(6-hydroxypyridine-3-carboxylate)","","- C12 H20 N2 Ni O12 -","- C12 H20 N2 Ni O12 -","- C24 H40 N4 Ni2 O24 -","2","0.25","OB6517","Zhang, Xue-Li; Ng, Seik Weng","Hexaaquanickel(II) bis(6-hydroxypyridine-3-carboxylate)","Acta Crystallographica Section E","2005","61","6","m1142","m1143","10.1107/S1600536805014923","","","0.71073","MoKα","","0.043","0.041","","","0.11","0.111","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2206037","13.3063","0.0007","9.8112","0.0003","13.9186","0.0007","90","","91.702","0.004","90","","1816.28","0.14","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3-Mesityl-3-methylcyclobutyl)-2-(piperidin-1-yl)ethanone","","- C21 H31 N O -","- C21 H31 N O -","- C84 H124 N4 O4 -","4","1","OB6518","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim","1-(3-Mesityl-3-methylcyclobutyl)-2-(piperidin-1-yl)ethanone","Acta Crystallographica Section E","2005","61","6","o1754","o1756","10.1107/S160053680501487X","","","0.71073","MoKα","","0.0545","0.0427","","","0.1064","0.1123","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206038","14.0463","0.0012","7.7507","0.0007","25.092","0.002","90","","90.446","0.006","90","","2731.6","0.4","93.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,9-dichloro-5,12-dihydroquino[2,3-b]acridine- 7,14-dithione dimethylacetamide disolvate","","- C28 H28 Cl2 N4 O2 S2 -","- C28 H28 Cl2 N4 O2 S2 -","- C112 H112 Cl8 N16 O8 S8 -","4","1","OB6519","Hoki, Tomonori; Senju, Takatoshi; Mizuguchi, Jin","The monoclinic form of 2,9-dichloro-5,12-dihydroquino[2,3-<i>b</i>]acridine-7,14-dithione dimethylacetamide disolvate","Acta Crystallographica Section E","2005","61","6","o1927","o1929","10.1107/S1600536805016624","","","1.5418","CuKα","","","0.0444","","","","0.1365","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206039","7.156","0.002","8.941","0.003","11.487","0.004","104.32","0.02","96.91","0.02","107.369","0.018","664.5","0.4","93.1","","","","","","","","","","","6","P -1","-P 1","2","","2,9-dichloro-5,12-dihydroquino[2,3-b]acridine- 7,14-dithione dimethylacetamide disolvate","","- C28 H28 Cl2 N4 O2 S2 -","- C28 H28 Cl2 N4 O2 S2 -","- C28 H28 Cl2 N4 O2 S2 -","1","0.5","OB6520","Senju, Takatoshi; Hoki, Tomonori; Mizuguchi, Jin","The triclinic form of 2,9-dichloro-5,12-dihydroquino[2,3-<i>b</i>]acridine-7,14-dithione dimethylacetamide disolvate","Acta Crystallographica Section E","2005","61","6","o1930","o1932","10.1107/S1600536805016636","","","1.5418","CuKα","","","0.0608","","","","0.2165","","","","","","1.181","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206040","8.9387","0.0007","9.1043","0.0007","10.6069","0.0008","88.509","0.006","85.498","0.006","80.661","0.006","849.05","0.11","296","","296","","","","","","","","","5","P -1","-P 1","2","","4-Allyl-2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4- triazole-3-thione","","- C15 H19 N5 O S -","- C15 H19 N5 O S -","- C30 H38 N10 O2 S2 -","2","1","OB6523","Dinçer, Muharrem; Özdemir, Namık; Dege, Necmi; Çetin, Ahmet; Cansız, Ahmet; Şekerci, Memet","4-Allyl-2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-2,4-dihydro-3<i>H</i>-1,2,4-triazole-3-thione","Acta Crystallographica Section E","2005","61","6","o1953","o1955","10.1107/S1600536805015953","","","0.71073","MoKα","","0.0485","0.0403","","","0.1095","0.1147","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206041","7.3576","0.0003","10.4263","0.0005","11.9471","0.0005","90","","102.908","0.001","90","","893.33","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Creatininium dihydrogenarsenate","","- C4 H10 As N3 O5 -","- C4 H10 As N3 O5 -","- C16 H40 As4 N12 O20 -","4","1","OB6525","Wilkinson, Hazel S.; Harrison, William T. A.","Creatininium dihydrogenarsenate","Acta Crystallographica Section E","2005","61","6","m1228","m1230","10.1107/S1600536805016144","","","0.71073","MoKα","","0.044","0.027","","","0.065","0.0686","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206042","20.797","0.004","5.068","0.001","16.253","0.003","90","","116.42","0.01","90","","1534.1","0.5","123.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(4-chloromethyl-2,5-dimethyl-3-thienyl)methane","","- C15 H18 Cl2 S2 -","- C15 H18 Cl2 S2 -","- C60 H72 Cl8 S8 -","4","0.5","OB6526","Masataka Watanabe; Asami Miura; Taisuke Matsumoto; Shuntaro Mataka; Thies Thiemann","Bis(4-chloromethyl-2,5-dimethyl-3-thienyl)methane","Acta Crystallographica Section E","2005","61","6","o1936","o1938","10.1107/S1600536805016533","","","1.5419","CuKα","","","0.03","","","","0.102","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206043","8.5226","0.001","12.2353","0.0015","13.2586","0.0016","90","","105.095","0.002","90","","1334.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methanol(2-methyl-1H-imidazole-κ^3^)(pyridine-2,6-dicarboxylato- κ^3^N,O,O')copper(II)","","- C12 H13 Cu N3 O5 -","- C12 H13 Cu N3 O5 -","- C48 H52 Cu4 N12 O20 -","4","1","OM6237","Liu, San-Hui; Li, Yi-Zhi; Meng, Qing-Jin","Methanol(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(pyridine-2,6-dicarboxylato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2005","61","6","m1183","m1184","10.1107/S1600536805015564","","","0.71073","MoKα","","0.039","0.0332","","","0.0855","0.0877","","","","","","0.99","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206044","10.1699","0.0018","16.883","0.003","12.49","0.002","90","","100.126","0.003","90","","2111.1","0.6","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fe(phen)~2~Cl~2~","Dichlorobis(1,10-phenanthroline)iron(II)","","- C24 H16 Cl2 Fe N4 -","- C24 H16 Cl2 Fe N4 -","- C96 H64 Cl8 Fe4 N16 -","4","1","OM6242","Xu-Cheng Fu; Ming-Tian Li; Cheng-Gang Wang","<i>cis</i>-Dichlorobis(1,10-phenanthroline)iron(II)","Acta Crystallographica Section E","2005","61","6","m1221","m1222","10.1107/S1600536805016156","","","0.71073","MoKα","","0.1036","0.0665","","","0.1346","0.1492","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206045","14.043","0.002","12.4625","0.0017","15.147","0.002","90","","107.328","0.002","90","","2530.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-{2,11-Bis[(3H-1,3-benzimidazol-1-ium-2-yl)methyl]-5,8-dioxa- 2,11-diazadodecane-1,12-diyl}bis(3H-1,3-benzimidazol-1-ium) dichloride diperchlorate methanol disolvate","","- C40 H52 Cl4 N10 O12 -","- C40 H52 Cl4 N10 O12 -","- C80 H104 Cl8 N20 O24 -","2","0.5","RN6046","Qin, Shi-Dong; Feng, Si-Si; Zhang Hong-Mei; Yang, Pin; Zhu, Miao-Li","2,2'-{2,11-Bis[(3<i>H</i>-1,3-benzimidazol-1-ium-2-yl)methyl]-5,8-dioxa-2,11-diazadodecane-1,12-diyl}bis(3<i>H</i>-1,3-benzimidazol-1-ium) dichloride diperchlorate methanol disolvate","Acta Crystallographica Section E","2005","61","6","o1574","o1576","10.1107/S1600536805013723","","","0.71073","MoKα","","0.1218","0.0879","","","0.2489","0.2667","","","","","","0.956","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206046","5.6995","0.0013","17.916","0.004","7.0525","0.0017","90","","99.424","0.005","90","","710.4","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(9S)-2-(3-Benzoylthioureido)-3-(1H-imidazol-4-yl)propionic acid","(9S)-2-(3-benzoylthioureido)-3-(1H-imidazolium-4-yl)propionate","","- C14 H14 N4 O3 S -","- C14 H14 N4 O3 S -","- C28 H28 N8 O6 S2 -","2","1","RN6047","Ngah, Nurziana; Shah, Nabihah M.; Yusof, Rusila; Yamin, Bohari M","(2<i>S</i>)-2-(3-Benzoylthioureido)-3-(1<i>H</i>-imidazol-4-yl)propionic acid","Acta Crystallographica Section E","2005","61","6","o1689","o1691","10.1107/S160053680501442X","","","0.71073","MoKα","","0.039","0.039","","","0.096","0.097","","","","","","1.14","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206047","11.3184","0.001","7.6823","0.0007","16.8656","0.0012","90","","90","","90","","1466.5","0.2","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-aminophenylacetic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","RZ6070","Sandra Gracin; Michael Svärd; Andreas Fischer","4-Aminophenylacetic acid","Acta Crystallographica Section E","2005","61","6","o1536","o1537","10.1107/S1600536805012754","","","0.71073","MoKα","","0.0865","0.0589","","","0.1147","0.1332","","","","","","1.159","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206048","14.4453","0.0012","6.3267","0.0005","24.4965","0.0019","90","","104.517","0.006","90","","2167.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-Diphenyl-4-(3,4,5-trimethoxybenzylamino)-4H-1,2,4-triazole","","- C24 H24 N4 O3 -","- C24 H24 N4 O3 -","- C96 H96 N16 O12 -","4","1","RZ6071","Ocak Ískeleli, Nazan; Çoruh, Ufuk; Bekircan, Olcay; Ağar, Ayşen; Şaşmaz, Selami; Erdönmez, Ahmet","3,5-Diphenyl-4-(3,4,5-trimethoxybenzylamino)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2005","61","6","o1659","o1661","10.1107/S1600536805014443","","","0.71073","MoKα","","0.0744","0.0488","","","0.1378","0.151","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206049","21","0.004","13.343","0.002","3.6863","0.0006","90","","90","","90","","1032.9","0.3","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Trimesic acid dihydrate","","- C9 H10 O8 -","- C9 H10 O8 -","- C36 H40 O32 -","4","1","RZ6072","Zhen-Zhong Fan; Xin-Hua Li; Guo-Ping Wang","Trimesic acid dihydrate","Acta Crystallographica Section E","2005","61","6","o1607","o1608","10.1107/S1600536805014194","","","0.71073","MoKα","","0.092","0.0788","","","0.1507","0.1563","","","","","","1.196","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206050","7.5535","0.0005","18.3764","0.0009","12.9216","0.0009","90","","91.979","0.006","90","","1792.53","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzyl 2-(3,4-dicyanophenoxy)benzoate","","- C22 H14 N2 O3 -","- C22 H14 N2 O3 -","- C88 H56 N8 O12 -","4","1","RZ6073","Atalay,Şehriman; Ağar, Ayşen","Benzyl 2-(3,4-dicyanophenoxy)benzoate","Acta Crystallographica Section E","2005","61","6","o1815","o1817","10.1107/S1600536805014546","","","0.71073","MoKα","","0.0843","0.0445","","","0.1108","0.1202","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206051","7.824","0.004","8.153","0.004","9.227","0.004","102.202","0.008","97.123","0.008","108.95","0.008","532.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-[(4-Bromo-1-methyl-1H-pyrrol-2-ylcarbonyl)amino]propanoic acid","","- C9 H11 Br N2 O3 -","- C9 H11 Br N2 O3 -","- C18 H22 Br2 N4 O6 -","2","1","RZ6074","Xiang-Chao Zeng; Jian Gu; Shi-Hai Xu; Yu-Xia Li; Po-Run Liu","3-[(4-Bromo-1-methyl-1<i>H</i>-pyrrol-2-ylcarbonyl)amino]propanoic acid","Acta Crystallographica Section E","2005","61","6","o1805","o1806","10.1107/S1600536805015047","","","0.71073","MoKα","","0.039","0.0357","","","0.0976","0.0998","","","","","","1.101","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206052","4.9893","0.0008","6.3013","0.001","26.79","0.004","90","","90","","90","","842.3","0.2","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4-Dichlorobenzohydroxamic acid","","- C7 H5 Cl2 N O2 -","- C7 H5 Cl2 N O2 -","- C28 H20 Cl8 N4 O8 -","4","1","RZ6078","Shang, Xian-Mei; Meng, Xiang-Gao; Wu, Ji-Zhou; Li, Qing-Shan","2,4-Dichlorobenzohydroxamic acid","Acta Crystallographica Section E","2005","61","6","o1961","o1962","10.1107/S1600536805016557","","","0.71073","MoKα","","0.0549","0.0434","","","0.0938","0.1001","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206053","9.562","0.003","9.83","0.003","31.393","0.005","90","","90","","90","","2950.8","1.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 N O11 S -","- C29 H35 N O11 S -","- C116 H140 N4 O44 S4 -","4","1","RZ6082","Jian-Rong Su; Duan-Jun Xu","(<i>R</i>)-Methioninium‒(<i>R</i>)-mandelate‒(<i>R</i>)-mandelic acid (1/1/2)","Acta Crystallographica Section E","2005","61","6","o1933","o1935","10.1107/S160053680501620X","","","0.71073","MoKα","","0.167","0.086","","","0.208","0.25","","","","","","0.983","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206054","9.717","0.002","27.863","0.003","14.902","0.005","90","","93.06","0.02","90","","4028.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[3,6,14,21-Tetraaza-3,6-difuryl-10,25-dimethyl-27,28- dioxotetracyclo[18.4.3.3^8,12^.0^15,20^]octacosa- 8,10,12(28),13,17,19,21,23,25,27(1)-decaene-κ^4^N,N',O,O'](perchlorato- κO)copper(II) perchlorate dimethylformamide solvate","","- C39 H43 Cl2 Cu N5 O13 -","- C39 H43 Cl2 Cu N5 O13 -","- C156 H172 Cl8 Cu4 N20 O52 -","4","1","SG6003","Sun, Gang-Chun; Li, Yi-Zhi; Chen, Nai-Sheng; Wang, Liu-Fang","(Perchlorato-κ<i>O</i>)[3,6,14,21-tetraaza-3,6-difuryl-27,28-dihydroxy-10,25-dimethyltetracyclo[18.4.3.3^8,12^.0^15,20^]octacosa-8,10,12(28),13,17,19,21,23,25,27(1)-decaene-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>']copper(II) perchlorate dimethylformamide solvate","Acta Crystallographica Section E","2005","61","6","m1065","m1066","10.1107/S1600536805011451","","","0.71073","MoKα","","0.0859","0.0608","","","0.1342","0.1401","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206055","11.616","0.001","8.663","0.001","12.046","0.001","90","","111.52","0.01","90","","1127.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethylaminium picrate","","- C8 H10 N4 O7 -","- C8 H10 N4 O7 -","- C32 H40 N16 O28 -","4","1","SG6006","Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Krishnan SethuSankar; Jan Fraanje; Rene Peschar; Kandasamy Sivakumar","Ethylaminium picrate","Acta Crystallographica Section E","2005","61","6","o1546","o1548","10.1107/S1600536805013644","","","1.5418","CuKα","","0.0873","0.0793","","","0.2135","0.2262","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206056","10.175","0.002","9.219","0.002","16.814","0.004","90","","90","","90","","1577.2","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine-1-carbonate","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","1","SG6007","Guo-Wu Rao; Jie Yan; Wei-Xiao Hu","Ethyl 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine-1-carboxylate","Acta Crystallographica Section E","2005","61","6","o1637","o1638","10.1107/S1600536805013620","","","0.71073","MoKα","","0.0536","0.0336","","","0.0887","0.0984","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206057","7.423","0.001","7.034","0.001","10.998","0.001","90","","99.67","0.01","90","","566.08","0.12","296.1","0.2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(10aS)-7-methoxy-1,10a-dihydropyrrolo[1,2-b]isoquinoline-3,10(2H,5H)-dione","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C26 H26 N2 O6 -","2","1","SG6009","Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan; Kadlečíková, Katarína","(10a<i>S</i>)-7-Methoxy-1,10a-dihydropyrrolo[1,2-<i>b</i>]isoquinoline-3,10(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","6","o1749","o1751","10.1107/S1600536805014996","","","0.71069","MoKα","","0.0767","0.0433","","","0.0987","0.1109","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206058","12.726","0.004","11.629","0.004","13.705","0.005","90","","90","","90","","2028.2","1.2","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-bromo-5-methylthiophen-2-yl)pyridine","","- C10 H8 Br N S -","- C10 H8 Br N S -","- C80 H64 Br8 N8 S8 -","8","1","SJ6067","Xu, Fengying; Chen, Zihui; Zhang, Fushi; Wang, Ru-Ji; Zhao, Fuqun","4-(4-Bromo-5-methylthiophen-2-yl)pyridine","Acta Crystallographica Section E","2005","61","6","o1672","o1673","10.1107/S160053680501425X","","","0.71073","MoKα","","0.0976","0.0486","","","0.0831","0.0979","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206059","7.35","0.0015","7.49","0.0015","8.81","0.0018","97.05","0.03","95.86","0.03","115.34","0.03","428.5","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Salicylideneacetone","(E)-4-(2-hydroxyphenyl)but-3-en-2-one","","- C10 H10 O2 -","- C10 H10 O2 -","- C20 H20 O4 -","2","1","SJ6073","Wang, Shi-Fan; Shi, Da-Hua; Zhu, Yan; Zhu, Hai-Liang","Salicylideneacetone","Acta Crystallographica Section E","2005","61","6","o1697","o1698","10.1107/S1600536805012778","","","0.71073","MoKα","","0.0701","0.0598","","","0.1372","0.1451","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206060","7.618","0.001","10.28","0.002","10.936","0.001","90","","99.55","0.01","90","","844.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","H-2,4-Dimethyl-6-phenyl-8,9-dihydropyrido[3',2':5,6][1,2]thiazino[3,2-c]- [1,4]oxazin-5-one-11,11-dioxide","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C36 H32 N4 O8 S2 -","2","1","SJ6075","Karczmarzyk, Zbigniew; Malinka, Wiesław","5<i>H</i>-2,4-Dimethyl-6-phenyl-8,9-dihydropyrido[3',2':5,6][1,2]thiazino[3,2-<i>c</i>][1,4]oxazin-5-one 11,11-dioxide","Acta Crystallographica Section E","2005","61","6","o1649","o1651","10.1107/S1600536805013140","","","0.71073","MoKα","","0.0408","0.0351","","","0.0869","0.0906","","","","","","0.962","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206061","9.878","0.002","14.978","0.004","17.764","0.005","90","","104.691","0.003","90","","2542.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-Bis(dicyanamido)bis(1,10-phenanthroline)cadmium(II)","","- C28 H16 Cd N10 -","- C28 H16 Cd N10 -","- C112 H64 Cd4 N40 -","4","1","SJ6076","Guo-Zheng Lan; A-Qing Wu; Guo-Cong Guo; Fa-Kun Zheng","<i>cis</i>-Bis(dicyanamido)bis(1,10-phenanthroline)cadmium(II)","Acta Crystallographica Section E","2005","61","6","m1018","m1020","10.1107/S1600536805012924","","","0.71073","MoKα","","0.0742","0.0602","","","0.1224","0.1325","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206062","11.7463","0.0006","11.7463","0.0006","18.2841","0.001","90","","90","","120","","2184.8","0.2","173","2","173","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","dimethyldiphenylphosphonium iodide","","- C14 H16 I P -","- C14 H16 I P -","- C84 H96 I6 P6 -","6","0.5","SJ6077","Dornhaus, Franz; Lerner, Hans-Wolfram; Bolte, Michael","The `absolute structure' of dimethyldiphenylphosphonium iodide","Acta Crystallographica Section E","2005","61","6","o1657","o1658","10.1107/S1600536805013012","","","0.71073","MoKα","","0.0207","0.0198","","","0.0469","0.0473","","","","","","1.195","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206063","10.816","0.006","13.615","0.008","12.321","0.007","90","","99.583","0.009","90","","1789.1","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-(2,4-Dichlorophenoxy)dibenzo[d,f][1,3,2]dioxaphosphepine-6-sulfide","","- C18 H11 Cl2 O3 P S -","- C18 H11 Cl2 O3 P S -","- C72 H44 Cl8 O12 P4 S4 -","4","1","SJ6078","Krishnaiah, M.; Surendra Babu, V. H. H.; Radha Krishna, J.; Ananda Kumar, K.; Suresh Reddy, C.; Puranik, Vedavathi G.","6-(2,4-Dichlorophenoxy)dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6-sulfide","Acta Crystallographica Section E","2005","61","6","o1646","o1648","10.1107/S1600536805013991","","","0.71073","MoKα","","0.0457","0.0428","","","0.1086","0.1115","","","","","","1.127","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206064","9.3302","0.0003","10.9224","0.0004","16.5491","0.0007","90","","93.641","0.002","90","","1683.08","0.11","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,8,15,16-tetraazadibenzo[b,n]perylene monohydrate","","- C24 H14 N4 O -","- C24 H14 N4 O -","- C96 H56 N16 O4 -","4","1","SJ6079","Zafra Stein; Israel Goldberg","π‒π stacking in 7,8,15,16-tetraazadibenzo[<i>b</i>,<i>n</i>]perylene monohydrate at 110K","Acta Crystallographica Section E","2005","61","6","o1554","o1556","10.1107/S1600536805013504","","","0.71073","MoKα","","0.1084","0.062","","","0.1415","0.1664","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206065","17.37","0.005","13.131","0.004","8.011","0.002","90","","91.803","0.007","90","","1826.3","0.9","153.2","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Dicarbonyl(η^5^-cyclopentadienyl)(trimethylsilylisocyanide)iron(II) trifluoromethanesulfonate","","- C12 H14 F3 Fe N O5 S Si -","- C12 H14 F3 Fe N O5 S Si -","- C48 H56 F12 Fe4 N4 O20 S4 Si4 -","4","1","SJ6080","Hiroshi Nakazawa; Masumi Itazaki; Mari Owaribe","Dicarbonyl(η^5^-cyclopentadienyl)(trimethylsilyl isocyanide)iron(II) trifluoromethanesulfonate","Acta Crystallographica Section E","2005","61","6","m1073","m1074","10.1107/S1600536805013516","","","0.7107","MoKα","","","0.0675","","","","0.1709","","","","","","1.164","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206066","7.1501","0.0006","8.064","0.0008","9.685","0.001","80.247","0.013","69.517","0.01","72.896","0.011","498.6","0.09","193","2","193","2","","","","","","","","3","P -1","-P 1","2","3-acetyl-7-methoxycoumarin","3-acetyl-7-methoxy-2H-1-benzopyran-2-one","","- C12 H10 O4 -","- C12 H10 O4 -","- C24 H20 O8 -","2","1","SJ6081","Hong-Mei Han; Cheng-Rong Lu; Yong Zhang; De-Chun Zhang","3-Acetyl-7-methoxycoumarin","Acta Crystallographica Section E","2005","61","6","o1864","o1866","10.1107/S1600536805014091","","","0.7107","MoKα","","0.0535","0.0429","","","0.1107","0.118","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206067","12.4473","0.0005","17.4957","0.0007","12.8805","0.0005","90","","90","","90","","2805.04","0.19","93","2","93","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Oxotris(quinolin-8-olato-κ^2^O,N)tantalum(V) dichloromethane disolvate","","- C29 H22 Cl4 N3 O4 Ta -","- C29 H22 Cl4 N3 O4 Ta -","- C116 H88 Cl16 N12 O16 Ta4 -","4","0.5","SJ6082","Amini, Mostafa M.; Tamizkar, Tayebeh; Mirzaee, Mehdi; Ng, Seik Weng","Oxotris(quinolin-8-olato-κ^2^<i>O,N</i>)tantalum(V) dichloromethane disolvate","Acta Crystallographica Section E","2005","61","6","m1053","m1054","10.1107/S1600536805013747","","","0.71073","MoKα","","0.028","0.024","","","0.061","0.064","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206068","9.172","0.003","11.032","0.003","11.106","0.003","60.825","0.002","67.219","0.002","89.136","0.003","883.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(trans-(E)-2-{[4-(4-acetylphenylsulfanyl)phenylimino-κN]methyl}phenolato- κO)copper(II)","","","- C42 H32 Cu N2 O4 S2 -","- C42 H32 Cu N2 O4 S2 -","- C42 H32 Cu N2 O4 S2 -","1","0.5","SJ6083","Hebbachi, Rabihe; Benali-Cherif, Nourredine","Bis(<i>trans</i>-(<i>E</i>)-2-{[4-(4-acetylphenylsulfanyl)phenylimino-κ<i>N</i>]methyl}phenolato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2005","61","6","m1188","m1190","10.1107/S1600536805015539","","","0.71073","MoKα","","0.0407","0.034","","","0.101","0.1194","","","","","","1.213","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2206069","9.8596","0.001","23.584","0.002","8.4499","0.0008","90","","90","","90","","1964.8","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(Benzoylmethyl)-4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-(2-thienylmethyl)- 1H-1,2,4-triazol-5(4H)-one","","- C19 H18 N6 O2 S -","- C19 H18 N6 O2 S -","- C76 H72 N24 O8 S4 -","4","1","SJ6084","Sancak, Kemal; Çoruh, Ufuk; Ünver, Yasemin; Vázquez-López, Ezequiel M.","1-(Benzoylmethyl)-4-(3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-yl)-3-(2-thienylmethyl)-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2005","61","6","o1785","o1787","10.1107/S1600536805015084","","","0.71073","MoKα","","0.1332","0.0851","","","0.2296","0.249","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206070","6.405","0.002","25.82","0.009","7.197","0.002","90","","114.14","0.006","90","","1086.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-[(4-Hydroxyphenyl)diazenyl]benzaldehyde","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","SJ6085","Liu, Xin-Gang; Feng, Ya-Qing; Meng, Xiang-Qi; Liang, Zu-Pei; Yang, Guang","(<i>E</i>)-4-[(4-Hydroxyphenyl)diazenyl]benzaldehyde","Acta Crystallographica Section E","2005","61","6","o1694","o1696","10.1107/S1600536805014510","","","0.71073","MoKα","","0.119","0.0461","","","","0.1286","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206071","3.957","0.001","15.798","0.003","11.461","0.002","90","","94.14","0.01","90","","714.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Melaminium formate","","- C4 H8 N6 O2 -","- C4 H8 N6 O2 -","- C16 H32 N24 O8 -","4","1","SJ6086","Genivaldo Julio Perpétuo; Marcos Antônio Ribeiro; Jan Janczak","Melaminium formate","Acta Crystallographica Section E","2005","61","6","o1818","o1820","10.1107/S1600536805015151","","","0.71073","MoKα","","0.0538","0.0357","","","0.0875","0.0956","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206072","12.413","0.0014","13.1265","0.0015","15.159","0.0018","87.559","0.002","74.392","0.002","77.313","0.002","2320.5","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","7""-Benzyl-9""-benzylidene-4'-[4-(dimethylamino)phenyl]-1'-methyl-5""-phenyl- 2"",3"",6"",7"",8"",9""-hexahydro-1H-indole-3(2H)-spiro-2'-pyrrolidine-3'-spiro-2''- pyrido[4,3-d]thiazolo[3,2-a]pyrimidine-2,2''-dione acetonitrile disolvate","","- C52 H50 N8 O2 S -","- C52 H50 N8 O2 S -","- C104 H100 N16 O4 S2 -","2","1","SJ6088","Hu, Xiao-Fen; Feng, Ya-Qing; Su, Qi; Qiao, Kang-Jian","7''-Benzyl-9''-benzylidene-4'-[4-(dimethylamino)phenyl]-1'-methyl-5''-phenyl- 2'',3'',6'',7'',8'',9''-hexahydro-1<i>H</i>-indole-3(2<i>H</i>)-spiro-2'-pyrrolidine-3'-spiro-2''-pyrido[4,3-<i>d</i>]thiazolo[3,2-<i>a</i>]pyrimidine-2,2''-dione acetonitrile disolvate","Acta Crystallographica Section E","2005","61","6","o1830","o1832","10.1107/S1600536805015485","","","0.71073","MoKα","","0.0978","0.0534","","","","0.1573","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206073","17.489","0.001","6.816","0.001","16.528","0.001","90","","100.68","0.01","90","","1936.1","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-Methyl-3-methylsulfonyl-N-nitroaniline","N-Methyl-3-methylsulfonyl-N-nitroaniline","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C64 H80 N16 O32 S8 -","8","1","SJ6090","Zarychta, Bartosz; Daszkiewicz, Zdzisław; Zaleski, Jacek","<i>N</i>-Methyl-3-methylsulfonyl-<i>N</i>-nitroaniline","Acta Crystallographica Section E","2005","61","6","o1897","o1899","10.1107/S1600536805015965","","","0.71073","MoKα","","0.0351","0.0312","","","0.0818","0.0847","","","","","","1.059","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206074","10.539","0.002","15.986","0.002","10.905","0.002","90","","113.48","0.002","90","","1685.1","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methanol[4-nitro-2-(pyridin-2- ylmethyliminomethyl)phenolato](thiocyanato)copper(II)","","- C15 H14 Cu N4 O4 S -","- C15 H14 Cu N4 O4 S -","- C60 H56 Cu4 N16 O16 S4 -","4","1","SJ6092","Wang, Nong; Li, Jing-Ping","Methanol[4-nitro-2-(pyridin-2-ylmethyliminomethyl)phenolato](thiocyanato)copper(II)","Acta Crystallographica Section E","2005","61","6","m1223","m1225","10.1107/S1600536805016363","","","0.71073","MoKα","","0.0664","0.0428","","","0.1077","0.1204","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206075","40.0008","0.0012","40.0008","0.0012","12.093","","90","","90","","120","","16757.2","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Hexacarbonylhexakis(μ-3,4-dimethylbenzenethiolato)triiron(II)","","- C54 H54 Fe3 O6 S6 -","- C54 H54 Fe3 O6 S6 -","- C648 H648 Fe36 O72 S72 -","12","0.666667","SU6189","Hu, Mingqiang; Ma, Chengbing; Chen, Changneng","Hexacarbonylhexakis(μ-3,4-dimethylbenzenethiolato)triiron(II)","Acta Crystallographica Section E","2005","61","6","m1045","m1047","10.1107/S1600536805013024","","","0.71073","MoKα","","0.0584","0.049","","","0.1018","0.1064","","","","","","1.087","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206076","10.735","0.002","9.4311","0.0019","16.61","0.003","90","","106.81","0.03","90","","1609.8","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 3,3,7,7,9-pentamethyl-1,5-dioxaspiro[5.5]undec-8-ene-8-carboxylate","","- C16 H26 O4 -","- C16 H26 O4 -","- C64 H104 O16 -","4","1","SU6192","Koskinen, Ari M. P.; Laitinen, Risto S.; Oilunkaniemi, Raija; Savilampi, Satu K.; Toivola, Reijo J.","Methyl 3,3,7,7,9-pentamethyl-1,5-dioxaspiro[5.5]undec-8-ene-8-carboxylate","Acta Crystallographica Section E","2005","61","6","o1627","o1628","10.1107/S1600536805013127","","","0.71073","MoKα","","0.0429","0.0379","","","0.1081","0.1197","","","","","","1.083","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206077","7.207","0.003","19.112","0.004","12.686","0.003","90","","95.67","0.03","90","","1738.8","0.9","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[4-Bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]methanolperchloratozinc(II)","","- C14 H14 Br Cl N2 O6 Zn -","- C14 H14 Br Cl N2 O6 Zn -","- C56 H56 Br4 Cl4 N8 O24 Zn4 -","4","1","SU6193","Wei, Yi-Jun","[4-Bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]methanolperchloratozinc(II)","Acta Crystallographica Section E","2005","61","6","m1085","m1087","10.1107/S1600536805012882","","","0.71073","MoKα","","0.0699","0.0479","","","0.1165","0.1288","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206078","13.7823","0.0013","17.5908","0.0017","18.1368","0.0018","90","","90","","90","","4397.1","0.7","223","2","223","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Diazidobis(1,7-phenanthroline)zinc(II)","","- C24 H16 N10 Zn -","- C24 H16 N10 Zn -","- C192 H128 N80 Zn8 -","8","0.5","SU6194","Sun, Bai-Wang; Du Lin","Diazidobis(1,7-phenanthroline)zinc(II)","Acta Crystallographica Section E","2005","61","6","m1099","m1100","10.1107/S1600536805014108","","","0.71073","MoKα","","0.0656","0.0446","","","0.1103","0.1227","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206079","21.578","0.005","4.674","0.005","11.709","0.005","90","0.005","95.829","0.005","90","0.005","1174.8","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-[(4-methylphenyl)diazenyl]salicylaldehyde","5-[(4-methylphenyl)diazenyl]salicylaldehyde","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","SU6195","Bakir, Mohammed; Harewood, Gabriel R.; Holder, Alvin; Hassan, Ishmael; Dasgupta, Tara; Maragh, Paul; Singh-Wilmot, Marvadeen","5-[(4-Methylphenyl)diazenyl]salicylaldehyde","Acta Crystallographica Section E","2005","61","6","o1611","o1613","10.1107/S1600536805013413","","","0.71069","MoKα","","0.0928","0.0459","","","0.0871","0.1025","","","","","","1.289","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206080","9.248","0.002","10.272","0.002","11.399","0.002","79.155","0.002","67.425","0.002","81.923","0.002","979.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-[3-(cyclohexylamino)propyliminomethyl]naphth-2-olato}nickel(II)","","- C40 H50 N4 Ni O2 -","- C40 H50 N4 Ni O2 -","- C40 H50 N4 Ni O2 -","1","0.5","SU6196","Wei, Yi-Jun","Bis{1-[3-(cyclohexylamino)propyliminomethyl]naphth-2-olato}nickel(II)","Acta Crystallographica Section E","2005","61","6","m1088","m1089","10.1107/S1600536805012286","","","0.71073","MoKα","","0.0784","0.0705","","","0.1775","0.1862","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206081","7.9131","0.0005","13.572","0.0008","25.0065","0.0014","90","","90","","90","","2685.6","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]copper(II)]- μ-chloro]","","- C13 H10 Br Cl Cu N2 O -","- C13 H10 Br Cl Cu N2 O -","- C104 H80 Br8 Cl8 Cu8 N16 O8 -","8","1","SU6197","Sun, Yu-Xi; Gao, Yi-Zhen; Zhang, Hong-Lin; Kong, De-Sheng; Yu, You","<i>catena</i>-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]copper(II)]-μ-chloro]","Acta Crystallographica Section E","2005","61","6","m1055","m1057","10.1107/S1600536805013401","","","0.71073","MoKα","","0.0696","0.0372","","","0.0784","0.0847","","","","","","0.854","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206082","12.3075","0.0014","7.4751","0.0009","13.6676","0.0017","90","","94.046","0.003","90","","1254.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(2-naphthalyl)thiophene-3-carbonitrile","","- C15 H10 N2 S -","- C15 H10 N2 S -","- C60 H40 N8 S4 -","4","1","SU6198","Çoruh, Ufuk; Tümer, Ferhan; Vázquez-López, Ezequiel M.; Demir, Ümit","2-Amino-4-(2-naphthyl)thiophene-3-carbonitrile","Acta Crystallographica Section E","2005","61","6","o1680","o1682","10.1107/S1600536805013425","","","0.71073","MoKα","","0.1969","0.0416","","","0.0525","0.0697","","","","","","0.716","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206083","7.4846","0.0014","8.1059","0.0015","27.139","0.005","90","","97.867","0.004","90","","1631","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 3-methyl-6-oxo-5-[3-(trifluoromethyl)phenyl]-1,6-dihydro-1-pyridazineacetate","","- C16 H15 F3 N2 O3 -","- C16 H15 F3 N2 O3 -","- C64 H60 F12 N8 O12 -","4","1","SU6199","Han Xu; Hai-Bin Song; Chang-Sheng Yao; You-Quan Zhu; Fang-Zhong Hu; Xiao-Mao Zou; Hua-Zheng Yang","Ethyl 3-methyl-6-oxo-5-[3-(trifluoromethyl)phenyl]-1,6-dihydro-1-pyridazineacetate","Acta Crystallographica Section E","2005","61","6","o1561","o1563","10.1107/S1600536805013498","","","0.71073","MoKα","","0.1429","0.059","","","0.1431","0.1852","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206084","12.706","0.003","11.141","0.002","11.552","0.002","90","","90","","90","","1635.3","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-{[1-(1-Adamantyl)ethyl]iminomethyl}phenol","","- C19 H25 N O -","- C19 H25 N O -","- C76 H100 N4 O4 -","4","1","SU6200","Feng, Yun-Long; Zhao, Guo-Liang; Wen, Yi-Hang","4-{[1-(1-Adamantyl)ethyl]iminomethyl}phenol","Acta Crystallographica Section E","2005","61","6","o1771","o1773","10.1107/S1600536805014935","","","0.71073","MoKα","","0.0756","0.0421","","","0.0822","0.0855","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206085","7.8","0.002","5.845","0.002","21.61","0.003","90","","97.599","0.002","90","","976.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Cyclopropyliminomethyl)-4-nitrophenol","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C40 H40 N8 O12 -","4","1","SU6201","Zhao, Li-Fang","2-(Cyclopropyliminomethyl)-4-nitrophenol","Acta Crystallographica Section E","2005","61","6","o1670","o1671","10.1107/S1600536805014145","","","0.71073","MoKα","","0.0662","0.0549","","","0.1293","0.1361","","","","","","1.125","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206086","9.2293","0.0017","16.506","0.003","12.354","0.002","90","","107.286","0.004","90","","1797","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2,7,7-trimethyl-5-oxo-4-(3-chlorophenyl)-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate","","- C20 H22 Cl N O3 -","- C20 H22 Cl N O3 -","- C80 H88 Cl4 N4 O12 -","4","1","TK6221","Yu-Ling Li; Bai-Xiang Du; Xiang-Shan Wang; Mei-Mei Zhang; Zhao-Sen Zeng","Methyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2005","61","6","o1634","o1636","10.1107/S1600536805012821","","","0.7107","MoKα","","0.067","0.055","","","0.124","0.13","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206087","10.305","0.001","12.088","0.001","20.341","0.002","90","","90","","90","","2533.8","0.4","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","L-(-)-dichloro(N,N-diethyldithiocarbamato)(β-menthoxycarbonylethyl)tin(IV)","","- C18 H33 Cl2 N O2 S2 Sn -","- C18 H33 Cl2 N O2 S2 Sn -","- C72 H132 Cl8 N4 O8 S8 Sn4 -","4","1","TK6223","Ng, Seik Weng","Redetermination of <small>L</small>-(‒)-dichloro(<i>N,N</i>-diethyldithiocarbamato)(β-menthoxycarbonylethyl)tin(IV)","Acta Crystallographica Section E","2005","61","6","m1051","m1052","10.1107/S160053680501281X","","","0.71073","MoKα","","0.041","0.035","","","0.075","0.079","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206088","10.9217","0.0007","21.5274","0.0017","16.4036","0.0011","90","","91.037","0.001","90","","3856.1","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-Bipyridinium bis(3,5-dicarboxybenzoate) benzene-1,3,5-tricarboxylic acid hexahydrate","","- C37 H38 N2 O24 -","- C37 H38 N2 O24 -","- C148 H152 N8 O96 -","4","0.5","WK6046","Xin-Hua Li; Xin-Xiang Lei; Shun Wang","4,4'-Bipyridinium bis(3,5-dicarboxybenzoate) benzene-1,3,5-tricarboxylic acid hexahydrate","Acta Crystallographica Section E","2005","61","6","o1802","o1804","10.1107/S1600536805015035","","","0.71073","MoKα","","0.0759","0.0715","","","0.1544","0.1571","","","","","","1.215","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2206089","7.8401","0.0009","12.5177","0.0014","7.6177","0.0008","90","","103.049","0.002","90","","728.3","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-pyridylmethyl)ammonium chloride","(4-Pyridylmethyl)aminium chloride","","- C6 H9 Cl N2 -","- C6 H9 Cl N2 -","- C24 H36 Cl4 N8 -","4","1","WK6048","Elise J. C. de Vries; Clive L. Oliver; Gareth O. Lloyd","(4-Pyridylmethyl)aminium chloride","Acta Crystallographica Section E","2005","61","6","o1577","o1578","10.1107/S1600536805013255","","","0.71073","MoKα","","0.0402","0.0356","","","0.087","0.0898","","","","","","1.075","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2206090","11.72","0.002","8.0163","0.0015","8.952","0.002","90","","90","","90","","841","0.3","298","2","298","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","praseodymium triiodide nona-hydrate","praseodymium triiodide nonahydrate","","- H18 I3 O9 Pr -","- I3 O9 Pr -","- I6 O18 Pr2 -","2","0.25","WM6064","Timofte, Tudor; Babai, Arash; Meyer, Gerd; Mudring, Anja-Verena","Praseodymium triiodide nonahydrate","Acta Crystallographica Section E","2005","61","6","i94","i95","10.1107/S1600536805012857","","","0.71073","MoKα","","0.0574","0.0501","","","0.13","0.1362","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206091","7.7592","0.0008","7.7592","0.0008","11.3079","0.0013","90","","90","","90","","680.79","0.13","296","","295","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Dicaesium dibromoaurate(I) tetrabromoaurate(III)","","- Au2 Br6 Cs2 -","- Au2 Br6 Cs2 -","- Au4 Br12 Cs4 -","2","0.0625","WM6065","Matsushita, Nobuyuki; Fukuhara, Fumiya; Kojima, Norimichi","A three-dimensional bromo-bridged mixed-valence gold(I,III) compound, Cs~2~Au^I^Au^III^Br~6~","Acta Crystallographica Section E","2005","61","6","i123","i125","10.1107/S1600536805016594","","","0.71069","MoKα","","0.0975","0.064","","","0.154","0.1701","","","","","","1.044","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206092","4.0757","0.0002","4.0757","0.0002","14.1965","0.0011","90","","90","","90","","235.82","0.02","293","2","293","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","Ag.28(1) Si1.72(1) Yb","ytterbium silver silicide","","- Ag0.28 Si1.72 Yb -","- Ag0.284 Si1.716 Yb -","- Ag1.136 Si6.864 Yb4 -","4","0.125","WM6066","Bobev, Svilen; Bauer, Eric D.","YbAg~<i>x~</i>Si~2{-~<i>x</i>} [<i>x</i> = 0.28(1)] with the tetragonal α-ThSi~2~ structure type","Acta Crystallographica Section E","2005","61","6","i96","i98","10.1107/S1600536805013103","","","0.71073","MoKα","","0.0113","0.0091","","","0.0196","0.0203","","","","","","1.233","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206093","4.3051","0.0003","19.0324","0.0015","20.7335","0.0019","90","","90","","90","","1698.8","0.2","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","Potassium trichloro decafluoropentastannates(II)","pentapotassium trichlorodecafluoropentastannate(II)","","- Cl3 F10 K3 Sn5 -","- Cl3 F10 K3 Sn5 -","- Cl12 F40 K12 Sn20 -","4","0.25","WM6068","Hocine Merazig; Fatima Setifi; Zouaoui Setifi; Peter H. Bird; George Dénès; Korzior Tam","K~3~Sn~5~Cl~3~F~10~ with a corrugated layered structure","Acta Crystallographica Section E","2005","61","6","i120","i122","10.1107/S1600536805016351","","","0.71073","MoKα","","0.0253","0.025","","","0.0576","0.0578","","","","","","1.207","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206094","8.236","0.002","15.237","0.003","22.724","0.005","90","","90","","90","","2851.7","1.1","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","europium antimony sulfide","europium antimony sulfide","","- Eu6 S17 Sb6 -","- Eu6 S17 Sb6 -","- Eu24 S68 Sb24 -","4","1","WM6069","Jin, Gengbang; Wells, Daniel M.; Crerar, Shane J.; Shehee, Thomas C.; Mar, Arthur; Albrecht-Schmitt, Thomas E.","Europium antimony sulfide, Eu~6~Sb~6~S~17~","Acta Crystallographica Section E","2005","61","6","i116","i119","10.1107/S1600536805016211","","","0.71073","MoKα","","0.0381","0.0311","","","0.0602","0.0615","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206095","7.347","0.0015","9.501","0.0019","13.568","0.003","90","","97.81","0.03","90","","938.3","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl ent-15β-hydroxy-16α-kauran-19-oate","","- C21 H34 O3 -","- C21 H34 O3 -","- C42 H68 O6 -","2","1","WN6340","Batista, Ronan; García, Pablo A.; Castro, María A.; del Corral, José M. Miguel; Speziali, Nivaldo L.; Oliveira, Alaide B. de","Methyl <i>ent</i>-15β-hydroxy-16α-kauran-19-oate","Acta Crystallographica Section E","2005","61","6","o1525","o1527","10.1107/S1600536805009554","","","1.5418","CuKα","","0.0333","0.0323","","","0.0884","0.0895","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206096","15.8942","0.0013","6.9666","0.0003","20.2673","0.0017","90","","102.634","0.006","90","","2189.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Thienylmethyl)-4,4'-bi-1H-1,2,4-triazol-5(4H)-one","","- C9 H8 N6 O S -","- C9 H8 N6 O S -","- C72 H64 N48 O8 S8 -","8","2","WN6349","Sancak, Kemal; Ustabaş, Reşat; Çoruh, Ufuk; Er, Mustafa; Ünver, Yasemin; Yavuz, Metin","3-(2-Thienylmethyl)-4,4'-bi-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2005","61","6","o1764","o1766","10.1107/S1600536805013942","","","0.71073","MoKα","","0.1179","0.0872","","","0.262","0.2844","","","","","","1.019","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206097","7.931","0.0005","11.9091","0.001","21.3948","0.0015","90","","90","","90","","2020.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4',4',6',6'-Tetrachloro-3-(4,6-dimethylpyridin-2-yl)-3,4-dihydrospiro[1,3,2- benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]","","- C14 H14 Cl4 N5 O P3 -","- C14 H14 Cl4 N5 O P3 -","- C56 H56 Cl16 N20 O4 P12 -","4","1","WN6350","Çaylak, Nagihan; Hökelek, Tuncer; Büyükgüngör, Orhan; Dal, Hakan; Süzen, Yasemin; Kılıç, Zeynel","4',4',6',6'-Tetrachloro-3-(4,6-dimethylpyridin-2-yl)-3,4-dihydrospiro[1,3,2-benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]","Acta Crystallographica Section E","2005","61","6","o1557","o1560","10.1107/S1600536805013383","","","0.71073","MoKα","","0.0321","0.0298","","","0.0738","0.0744","","","","","","0.984","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206098","11.857","0.002","7.1867","0.0014","32.253","0.007","90","","90","","90","","2748.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(4-Methoxystyryl)-2H-1,4-benzoxazin-2-one","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C136 H104 N8 O24 -","8","1","WN6351","Yan-Chao Wu; Hai-Bin Song; Li Liu; Dong Wang; Yong-Jun Chen","3-(4-Methoxystyryl)-2<i>H</i>-1,4-benzoxazin-2-one","Acta Crystallographica Section E","2005","61","6","o1590","o1591","10.1107/S1600536805013772","","","0.71073","MoKα","","0.1039","0.0483","","","0.126","0.1401","","","","","","0.83","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206099","7.2873","0.0015","18.657","0.004","30.047","0.006","90","","90","","90","","4085.2","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-bis(1-phenyl-1H-tetrazole-5-ylsulfanyl) ether","","- C18 H18 N8 O S2 -","- C18 H18 N8 O S2 -","- C144 H144 N64 O8 S16 -","8","1","WN6352","Wei Wang; Bing Zhao; Wen-Qin Zhang","2,2'-Bis(1-phenyl-1<i>H</i>-tetrazol-5-ylsulfanyl) ether","Acta Crystallographica Section E","2005","61","6","o1639","o1640","10.1107/S1600536805013784","","","0.71073","MoKα","","0.1139","0.0585","","","0.0973","0.1187","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206100","11.735","0.002","12.964","0.003","11.82","0.002","90","","90","","90","","1798.2","0.6","292","2","292","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","1,2-Dimethyl-4,5-bis(phenylethynyl)benzene","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","0.5","WN6353","Nengfang She; Huizhen Guo; Yitao Li; Anxin Wu","1,2-Dimethyl-4,5-bis(phenylethynyl)benzene","Acta Crystallographica Section E","2005","61","6","o1790","o1792","10.1107/S1600536805014820","","","0.71073","MoKα","","0.0972","0.0582","","","0.1374","0.1593","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206101","10.7701","0.0005","10.7701","0.0005","6.3526","0.0002","90","","90","","120","","638.15","0.05","150","","150","","","","","","","","","5","P 31 2 1","P 31 2""","152","","Sodium 3,5-dinitrobenzoate","","- C7 H3 N2 Na O6 -","- C7 H3 N2 Na O6 -","- C21 H9 N6 Na3 O18 -","3","0.5","WW6381","Jones, Helen P.; Gillon, Amy L.; Davey, Roger J.","Sodium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2005","61","6","m1131","m1132","10.1107/S1600536805014893","","","0.71073","MoKα","","0.0274","0.0255","","","0.0655","0.0662","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206102","7.623","0.003","19.92","0.006","11.558","0.004","90","","92.304","0.006","90","","1753.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthrolin-1-ium 2-carboxy-6-nitrobenzoate","","- C20 H13 N3 O6 -","- C20 H13 N3 O6 -","- C80 H52 N12 O24 -","4","1","WW6383","Guo, Ming-Lin","1,10-Phenanthrolin-1-ium 2-carboxy-6-nitrobenzoate","Acta Crystallographica Section E","2005","61","6","o1728","o1730","10.1107/S1600536805014753","","","0.71073","MoKα","","0.092","0.0451","","","0.0934","0.1084","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206103","16.4728","0.0016","13.815","0.0014","7.6914","0.0008","90","","93.829","0.002","90","","1746.4","0.3","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Methylbenzoyl)-3-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl)urea","","- C18 H13 F3 N4 O2 S -","- C18 H13 F3 N4 O2 S -","- C72 H52 F12 N16 O8 S4 -","4","1","WW6384","Song, Xinjian; Tan, Xiaohong; Wang, Yangang; Meng, Xianggao; Shi, Bo-An","1-(4-Methylbenzoyl)-3-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}urea","Acta Crystallographica Section E","2005","61","6","o1731","o1732","10.1107/S1600536805014765","","","0.71073","MoKα","","0.0777","0.0543","","","0.1546","0.177","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206104","13.457","0.003","19.807","0.003","14.08","0.003","90","","97.15","0.02","90","","3723.7","1.3","287","2","287","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[N,N-diisopropyl-2,2'-(2,3-naphthalenedioxy)diacetamide]trinitratoneodymium(III) acetone solvate","","- C29 H44 N5 Nd O14 -","- C29 H44 N5 Nd O14 -","- C116 H176 N20 Nd4 O56 -","4","1","XU6004","Lei, Ke-Wei; Liu, Wei-Sheng; Yu, Kai-Bei","[<i>N,N</i>-Diisopropyl-2,2'-(2,3-naphthalenedioxy)diacetamide]trinitratoneodymium(III) acetone solvate","Acta Crystallographica Section E","2005","61","6","m1159","m1160","10.1107/S1600536805015321","","","0.71073","MoKα","","0.035","0.025","","","0.054","0.056","","","","","","0.972","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206105","8.457","0.007","13.732","0.011","15.621","0.013","115.53","0.01","90.89","0.01","102.366","0.011","1587","2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Aqua[2,2'-(naphthylene-2,3-dioxy)bis(N,N- diethylacetamide)]trinitratocerium(III) acetonitrile solvate","","- C24 H35 Ce N6 O14 -","- C24 H35 Ce N6 O14 -","- C48 H70 Ce2 N12 O28 -","2","1","XU6005","Lei, Ke-Wei; Liu, Wei-Sheng; Wang, Da-Qi","Aqua[2,2'-(naphthalene-2,3-dioxy)bis(<i>N</i>,<i>N</i>-diethylacetamide)]trinitratocerium(III) acetonitrile solvate","Acta Crystallographica Section E","2005","61","6","m1243","m1244","10.1107/S1600536805016612","","","0.71073","MoKα","","0.04","0.034","","","0.083","0.091","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206106","12.01","0.002","7.029","0.0014","16.382","0.003","90","","94.84","0.03","90","","1378","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium hydrogen diglycolate nitrate","disodium trihydrogen bis(2,2'-oxydiacetate) nitrate","","- C8 H11 N Na2 O13 -","- C8 H11 N Na2 O13 -","- C32 H44 N4 Na8 O52 -","4","0.5","XU6006","Price, Daniel J.; Fritsch, Stefan; Wood, Paul T.; Powell, Annie K.","Possible strong symmetric hydrogen bonding in disodium trihydrogen bis(2,2'-oxydiacetate) nitrate","Acta Crystallographica Section E","2005","61","6","m1174","m1177","10.1107/S1600536805014819","","","0.71073","MoKα","","0.038","0.033","","","0.1","0.103","","","","","","1.167","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206107","6.898","0.0014","7.755","0.0016","30.339","0.006","90","","93.44","0.03","90","","1620","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[[[triaquazinc(II)]-μ-N,N'-(benzene-1,4-dicarboxamido)diacetato- κ^2^O:O'] dihydrate]","","- C12 H20 N2 O11 Zn -","- C12 H20 N2 O11 Zn -","- C48 H80 N8 O44 Zn4 -","4","0.5","XU6010","Zhang, Hong-Tao; You, Xiao-Zeng","The one-dimensional zigzag coordination polymer <i>catena</i>-poly[[[triaquazinc(II)]-μ-<i>N</i>,<i>N</i>'-(benzene-1,4-dicarboxamido)diacetato-κ^2^<i>O</i>:<i>O</i>'] dihydrate]","Acta Crystallographica Section E","2005","61","6","m1163","m1165","10.1107/S1600536805015345","","","0.71073","MoKα","","0.052","0.042","","","0.113","0.12","","","","","","1.122","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206108","7.5743","0.0015","9.4265","0.0019","23.07","0.005","90","","99.17","0.03","90","","1626.1","0.6","283","2","283","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(1,10-phenanthroline-κ^2^N,N')cadmium(II)]-μ~3~-pyridine-3,4- dicarboxylato-κ^5^N:O,O':O'',O''']","","- C19 H11 Cd N3 O4 -","- C19 H11 Cd N3 O4 -","- C76 H44 Cd4 N12 O16 -","4","1","XU6011","Xin-Long Wang; Chao Qin; En-Bo Wang","Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ~3~-pyridine-3,4-dicarboxylato-κ^5^<i>N</i>:<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2005","61","6","m1234","m1236","10.1107/S1600536805016016","","","0.71073","MoKα","","0.037","0.031","","","0.0845","0.094","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206109","9.3371","0.0003","17.5155","0.0005","11.6735","0.0003","90","","96.964","0.001","90","","1895.05","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,6-Bis(2-pyridylamino)pyridine]dinitratocadmium monohydrate","","- C15 H15 Cd N7 O7 -","- C15 H15 Cd N7 O7 -","- C60 H60 Cd4 N28 O28 -","4","1","YA6239","Fang, Xiao-Niu; Li, Xin-Fa; Zeng, Xi-Rui","[2,6-Bis(2-pyridylamino)pyridine]dinitratocadmium monohydrate","Acta Crystallographica Section E","2005","61","6","m1123","m1125","10.1107/S1600536805014649","","","0.71073","MoKα","","0.047","0.026","","","0.056","0.06","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206110","13.9144","0.0013","5.5055","0.0004","17.8016","0.0017","90","","107.858","0.008","90","","1298","0.2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2-exo,7-exo,9-exo,10-exo)-11-oxatricyclo[6.2.1.0^2,7^]undec-4-ene-9,10-diyl diacetate","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","YA6244","Sema Öztürk Yıldırım; Mehmet Akkurt; Arif Baran; Hasan Seçen; Orhan Büyükgüngör","The 2-<i>exo</i>,7-<i>exo</i>,9-<i>exo</i>,10-<i>exo</i> isomer of 11-oxatricyclo[6.2.1.0^2,7^]undec-4-ene-9,10-diyl diacetate","Acta Crystallographica Section E","2005","61","6","o1677","o1679","10.1107/S160053680501398X","","","0.71073","MoKα","","0.049","0.045","","","0.124","0.127","","","","","","1.05","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206111","10.4499","0.0018","6.0036","0.001","13.688","0.002","90","","103.995","0.002","90","","833.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis[2-(2-pyridyl)ethyl]dithiooxamide","","- C16 H18 N4 S2 -","- C16 H18 N4 S2 -","- C32 H36 N8 S4 -","2","0.5","YA6245","Cui, Jian-Zhong; Zhang, Dan; Pan, Shuo-Wen; Cheng, Peng; Liao, Dai-Zheng; Wang, Geng-Lin","<i>N</i>,<i>N</i>'-Bis[2-(2-pyridyl)ethyl]dithiooxamide","Acta Crystallographica Section E","2005","61","6","o1913","o1915","10.1107/S1600536805016338","","","0.71073","MoKα","","0.046","0.033","","","0.093","0.097","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206112","5.31","0.0003","9.0392","0.0004","15.3871","0.0008","90","","90","","90","","738.55","0.07","299","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-Hydroxyphenylacetic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","YA6248","Sandra Gracin; Andreas Fischer","4-Hydroxyphenylacetic acid","Acta Crystallographica Section E","2005","61","6","o1919","o1920","10.1107/S1600536805016405","","","0.71073","MoKα","","0.063","0.044","","","0.099","0.111","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206113","27.871","0.002","4.6083","0.0003","17.3806","0.0015","90","","90.949","0.007","90","","2232","0.3","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2-Cyanomethoxy-6-methoxyphenoxy)acetonitrile","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C88 H80 N16 O24 -","8","1","AT6011","Sancak, Kemal","(2-Cyanomethoxy-6-methoxyphenoxy)acetonitrile","Acta Crystallographica Section E","2005","61","7","o2015","o2017","10.1107/S1600536805015837","","","0.71073","MoKα","","0.073","0.043","","","0.103","0.113","","","","","","0.92","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206114","8.1578","0.0008","10.8246","0.0012","12.1665","0.0011","75.445","0.008","89.69","0.008","74.082","0.008","997.68","0.18","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[diaquabis(pyridine-4-carboxamide-κN^1^)cobalt(II)]-μ~2~- squarato-κO:O'] dihydrate]","","- C16 H20 Co N4 O10 -","- C16 H20 Co N4 O10 -","- C32 H40 Co2 N8 O20 -","2","1","AT6015","Uçar, İbrahim; Bulut, Ahmet","Poly[[[diaquabis(pyridine-4-carboxamide-κ<i>N</i>^1^)cobalt(II)]-μ~2~-squarato-κ<i>O</i>:<i>O</i>'] dihydrate]","Acta Crystallographica Section E","2005","61","7","m1320","m1323","10.1107/S1600536805018295","","","0.71073","MoKα","","0.084","0.056","","","0.148","0.164","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206115","10.6294","0.0019","13.299","0.002","13.702","0.002","104.778","0.003","95.84","0.003","91.828","0.003","1859.8","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","10''-(4-Methoxybenzylidene)-5''-(4-methoxyphenyl)-4'-(4-methoxyphenyl)-1'- methyl-2,3,2'',3'',7'',8'',9'',10''-octahydro-1H,5''H,6''H-indole-3-spiro-2'- pyrrolidine-3'-spiro-2''-cyclohepteno[1,2-d]thiazolo[3,2-a]pyrimidine-2,3''- dione","","- C44 H42 N4 O5 S -","- C44 H42 N4 O5 S -","- C88 H84 N8 O10 S2 -","2","1","AT6016","Chen, Hong-Liang; Feng, Ya-Qing; Hu, Xiao-Fen; Liu, Xin-Gang","10''-(4-Methoxybenzylidene)-5'',4'-bis(4-methoxyphenyl)-1'-methyl-2,3,2'',3'',7'',8'',9'',10''-octahydro-1<i>H</i>,5''<i>H</i>,6''<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-cyclohepteno[1,2-<i>d</i>]thiazolo[3,2-<i>a</i>]pyrimidine-2,3''-dione","Acta Crystallographica Section E","2005","61","7","o2086","o2088","10.1107/S1600536805017939","","","0.71073","MoKα","","0.126","0.055","","","","0.14","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206116","15.1169","0.0018","10.7393","0.0013","10.2017","0.0013","90","","95.839","0.003","90","","1647.6","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yloxy)benzoic acid isopropyl ester","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C68 H72 N16 O12 -","4","1","AT6017","Qiong Chen; Qiong-You wu; Xiao-Wei Hu; Guang-Fu Yang","Isopropyl 2-(5,7-dimethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-2-yloxy)benzoate","Acta Crystallographica Section E","2005","61","7","o2079","o2080","10.1107/S1600536805017885","","","0.71073","MoKα","","0.104","0.059","","","0.135","0.159","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206117","8.7619","0.0005","9.8234","0.0007","18.5527","0.001","90","","92.27","0.004","90","","1595.61","0.17","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Bromo-4,5-dimethoxybenzyloxy)phthalonitrile","","- C17 H13 Br N2 O3 -","- C17 H13 Br N2 O3 -","- C68 H52 Br4 N8 O12 -","4","1","AT6018","Ocak Ískeleli, Nazan; Atalay, Şehriman; Ağar, Erbil; Akdemir, Nesuhi","4-(2-Bromo-4,5-dimethoxybenzyloxy)phthalonitrile","Acta Crystallographica Section E","2005","61","7","o2294","o2295","10.1107/S1600536805020076","","","0.71073","MoKα","","0.066","0.043","","","0.109","0.127","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206118","14.66","0.03","12.62","0.03","15.14","0.03","90","","96.62","0.03","90","","2782","10","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","p-cumylcalix[4]arene‒para-xylene (1/1)","4-(2-Phenylisopropyl)calix[4]arene‒1,4-dimethylbenzene (1/1)","","- C72 H74 O4 -","- C72 H70 O4 -","- C144 H140 O8 -","2","0.5","BD6001","Abdelhak, Ettahiri; Merle, Daphne; Perrin, Monique; Thozet, Alain","<i>p</i>-Cumylcalix[4]arene‒<i>para</i>-xylene (1/1)","Acta Crystallographica Section E","2005","61","7","o2001","o2002","10.1107/S1600536805016442","","","0.71073","MoKα","","0.0993","0.0549","","","0.1333","0.1547","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206119","13.151","0.003","7.166","0.0014","14.7","0.003","90","","97.53","0.03","90","","1373.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(4-Methoxyphenyl)-1-phenylpyrazolidin-3-one","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","BD6003","Shi, Hong; Zhu, Hong-Jun; Yin, Peng-Wei; Wang, Jin-Tang; Shi, Xiao-Lan","5-(4-Methoxyphenyl)-1-phenylpyrazolidin-3-one","Acta Crystallographica Section E","2005","61","7","o2246","o2247","10.1107/S1600536805019227","","","0.71073","MoKα","","0.0772","0.048","","","0.143","0.1621","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206120","4.8966","0.0008","7.2049","0.0012","14.719","0.002","90","","90","","90","","519.28","0.14","168","2","168","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Methylimidazolidinetrione","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","1","BD6004","Rodriguez, Mark A.; Andrews, Nicholas L.; Boyle, Timothy J.; Frazer, Colleen S.","<i>N</i>-Methylimidazolidinetrione","Acta Crystallographica Section E","2005","61","7","o2288","o2290","10.1107/S1600536805019690","","","0.71073","MoKα","","0.0401","0.0313","","","0.0761","0.0812","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206121","3.823","0.0014","15.99","0.005","13.1","0.004","90","","99.768","0.009","90","","789.2","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(3-acetylpyridine)copper(I)]-μ~3~-chloro]","","- C14 H14 Cl2 Cu2 N2 O2 -","- C14 H14 Cl2 Cu2 N2 O2 -","- C28 H28 Cl4 Cu4 N4 O4 -","2","0.5","BH6008","Lennartson, Anders; Salo, Kent; Håkansson, Mikael","<i>catena</i>-Poly[[(3-acetylpyridine)copper(I)]-μ~3~-chloro]","Acta Crystallographica Section E","2005","61","7","m1261","m1263","10.1107/S1600536805017150","","","0.71073","MoKα","","0.0779","0.0529","","","0.131","0.1424","","","","","","0.908","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2206122","12.066","0.0005","18.2275","0.0008","15.1284","0.0006","90","","93.774","0.001","90","","3320","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(2-methyl-2-phenylpropyl)(pyridine-3-carboxylato)tin(IV)","","- C36 H43 N O2 Sn -","- C36 H43 N O2 Sn -","- C144 H172 N4 O8 Sn4 -","4","1","BH6011","Tian, Lai-Jin; Sun, Yu-Xi; Yang, Min; Yang, Guo-Ming","Tris(2-methyl-2-phenylpropyl)(pyridine-3-carboxylato)tin(IV)","Acta Crystallographica Section E","2005","61","7","m1346","m1347","10.1107/S1600536805018635","","","0.71073","MoKα","","0.0384","0.0299","","","0.0745","0.0795","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206123","10.6177","0.0008","17.6052","0.0013","14.1076","0.001","90","","105.897","0.002","90","","2536.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-Ethyl 3-(4-methylphenyl)-2-[(triphenylphosphoranylidene)amino]prop-2-enoate","","- C30 H28 N O2 P -","- C30 H28 N O2 P -","- C120 H112 N4 O8 P4 -","4","1","BH6012","Huang, Xiao-Bo; Xu, Rong; Ding, Jin-Chang; Wu, Hua-Yue; Zhang, Xi-Chang; Liu, Miao-Chang; Xiao, Hong-Ping","(<i>Z</i>)-Ethyl 3-(4-methylphenyl)-2-[(triphenylphosphoranylidene)amino]prop-2-enoate","Acta Crystallographica Section E","2005","61","7","o2196","o2197","10.1107/S1600536805018647","","","0.71073","MoKα","","0.0899","0.0668","","","0.139","0.1495","","","","","","1.095","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206124","10.4162","0.0014","16.693","0.002","15.536","0.002","90","","97.474","0.002","90","","2678.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ-pyruvic acid benzoylhydrazonato(2-)]bis[bis(4-chlorobenzyl)ethanoltin(IV)]","","- C52 H52 Cl4 N4 O8 Sn2 -","- C52 H52 Cl4 N4 O8 Sn2 -","- C104 H104 Cl8 N8 O16 Sn4 -","2","0.5","BR6193","Min Hong; Handong Yin; Daqi Wang; Haolong Xu","Bis[μ-pyruvic acid benzoylhydrazonato(2‒)]bis[bis(4-chlorobenzyl)ethanoltin(IV)]","Acta Crystallographica Section E","2005","61","7","m1248","m1250","10.1107/S1600536805016910","","","0.71073","MoKα","","0.0542","0.0336","","","0.0865","0.1059","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206125","18.1814","0.0008","18.1814","0.0008","8.546","0.0007","90","","90","","90","","2825","0.3","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","cyclo-Tetrakis{μ-1-[2-(2-oxidoethylamino)ethyliminomethyl]naphthalen-2- olato}tetranickel(II)","","- C60 H64 N8 Ni4 O8 -","- C60 H64 N8 Ni4 O8 -","- C120 H128 N16 Ni8 O16 -","2","0.25","BR6196","Ma, Ji-Long; You, Zhong-Lu; Zhu, Hai-Liang","<i>cyclo</i>-Tetrakis{μ-1-[2-(2-oxidoethylamino)ethyliminomethyl]naphthalen-2-olato}tetranickel(II)","Acta Crystallographica Section E","2005","61","7","m1258","m1260","10.1107/S1600536805017058","","","0.71073","MoKα","","0.0621","0.0486","","","0.1156","0.1233","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206126","14.4166","0.0009","7.7234","0.0005","18.6868","0.0011","90","","107.421","0.001","90","","1985.2","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Mn N2 O8 S -","- C19 H16 Mn N2 O8 S -","- C76 H64 Mn4 N8 O32 S4 -","4","1","BR6197","Fan, Sai-Rong; Zhu, Long-Guan","<i>catena</i>-Poly[[<i>cis</i>-diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ~2~-5-sulfonatosalicylato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","7","m1298","m1300","10.1107/S1600536805017861","","","0.71073","MoKα","","0.0333","0.0303","","","0.0819","0.0839","","","","","","1.069","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206127","8.2289","0.0009","15.2809","0.0017","23.793","0.003","90","","95.946","0.002","90","","2975.8","0.6","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pyridine{4,4',6,6'-tetrabromo-2,2'-[1,2- phenylenebis(nitrilomethylidyne)]diphenolato}zinc(II) dimethylformamide solvate","","- C28 H22 Br4 N4 O3 Zn -","- C28 H22 Br4 N4 O3 Zn -","- C112 H88 Br16 N16 O12 Zn4 -","4","1","BR6198","Yu Wu; Zongqiu Hu; Mingtian Li; Xucheng Fu","Pyridine{4,4',6,6'-tetrabromo-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}zinc(II) dimethylformamide solvate","Acta Crystallographica Section E","2005","61","7","m1352","m1353","10.1107/S1600536805018787","","","0.71073","MoKα","","0.0777","0.0445","","","0.119","0.1616","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206128","13.6402","0.0009","10.4097","0.0006","18.443","0.0011","90","","99.756","0.001","90","","2580.9","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-[α-(4-Methoxyphenyl)-β-(4-chlorophenyl)vinyl]-2-methyl-1-phenylsulfonyl- 1H-indole","","- C30 H24 Cl N O3 S -","- C30 H24 Cl N O3 S -","- C120 H96 Cl4 N4 O12 S4 -","4","1","BT6662","G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; P. Jaisankar; P. C. Srinivasan","3-[β-(4-Chlorophenyl)-α-(4-methoxyphenyl)vinyl]-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2005","61","7","o2227","o2229","10.1107/S1600536805017472","","","0.71073","MoKα","","0.1045","0.0851","","","0.2563","0.277","","","","","","1.052","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206129","8.2023","0.0005","11.7111","0.0007","25.465","0.0015","102.102","0.001","90.014","0.001","103.949","0.001","2317.9","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","2'-Benzoyl-1'-(4-chlorophenyl)-5',6',7',7a'-tetrahydrospiro[indan- 2,3'(2'H)-1H-pyrrolizidine]-1,3-dione","","- C28 H22 Cl N O3 -","- C28 H22 Cl N O3 -","- C112 H88 Cl4 N4 O12 -","4","2","BT6673","S. Kalyanasundaram; S. Selvanayagam; D. Velmurugan; K. Ravikumar; M. Poornachandran; R. Raghunathan","2'-Benzoyl-1'-(4-chlorophenyl)-5',6',7',7a'-tetrahydrospiro[indan-2,3'(2'<i>H</i>)-1<i>H</i>-pyrrolizine]-1,3-dione","Acta Crystallographica Section E","2005","61","7","o2158","o2160","10.1107/S1600536805015928","","","0.71073","MoKα","","0.056","0.0462","","","0.1338","0.1429","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206130","5.357","0.002","8.232","0.003","10.172","0.004","96.88","0.03","104.47","0.03","102.11","0.03","417.6","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","L-Asparaginium Nitrate","L-Asparaginium nitrate","","- C4 H9 N3 O6 -","- C4 H9 N3 O6 -","- C8 H18 N6 O12 -","2","2","BT6674","A. Aarthy; K. Anitha; S. Athimoolam; S. Asath Bahadur; R.K. Rajaram","<small>L</small>-Asparaginium nitrate","Acta Crystallographica Section E","2005","61","7","o2042","o2044","10.1107/S1600536805017496","","","0.71073","MoKα","","0.0638","0.0577","","","0.1678","0.1891","","","","","","1.134","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206131","8.9769","0.0009","14.3789","0.0013","10.0589","0.001","90","","101.755","0.008","90","","1271.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4-Methoxy-2-[(4-nitrophenyl)iminomethyl]phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","BT6675","Kos̨ar, Bas̨ak; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-4-Methoxy-2-[(4-nitrophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2005","61","7","o2106","o2108","10.1107/S1600536805018155","","","0.71073","MoKα","","0.1155","0.0418","","","0.0901","0.1044","","","","","","0.817","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206132","27.883","0.002","7.1237","0.0007","14.7975","0.001","90","","111.524","0.004","90","","2734.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-2-Ethoxy-6-[(4-nitrophenyl)iminomethyl]phenol","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C120 H112 N16 O32 -","8","1","BT6676","Koşar, Başak; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-2-Ethoxy-6-[(4-nitrophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2005","61","7","o2109","o2111","10.1107/S1600536805018167","","","0.71073","MoKα","","0.085","0.0349","","","0.0625","0.0685","","","","","","0.809","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206133","14.8973","0.0011","8.9581","0.0007","18.9941","0.0014","90","","97.658","0.001","90","","2512.2","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[α-(4-Methoxyphenyl)-β-phenylvinyl]-2-methyl-1-phenylsulfonyl-1H-indole","","- C30 H25 N O3 S -","- C30 H25 N O3 S -","- C120 H100 N4 O12 S4 -","4","1","BT6677","G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; P. Jaisankar; P. C. Srinivasan","3-[α-(4-Methoxyphenyl)-β-phenylvinyl]-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2005","61","7","o2221","o2223","10.1107/S1600536805018921","","","0.71073","MoKα","","0.0665","0.0483","","","0.1292","0.1425","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206134","10.8372","0.0006","17.2384","0.001","12.722","0.0007","90","","90.269","0.001","90","","2376.6","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,5-Dimethylbenzyl)-3-phenylsulfanyl-1-phenylsulfonyl-1H-indole","","- C29 H25 N O2 S2 -","- C29 H25 N O2 S2 -","- C116 H100 N4 O8 S8 -","4","1","BT6678","G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; N. Sureshbabu; P. C. Srinivasan","2-(2,5-Dimethylbenzyl)-3-phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2005","61","7","o2224","o2226","10.1107/S1600536805018933","","","0.71073","MoKα","","0.0609","0.0493","","","0.1334","0.1431","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206135","10.485","0.004","33.972","0.008","12.544","0.004","90","","102.12","0.03","90","","4369","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","syn-exo-4,7-Bis(trimethylsilyl)-4,7-dihydro[2.2]paracyclophane","","- C22 H34 Si2 -","- C22 H34 Si2 -","- C176 H272 Si16 -","8","2","BT6679","Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Savinsky, Rainer","<i>syn</i>-<i>exo</i>-4,7-Bis(trimethylsilyl)-4,7-dihydro[2.2]paracyclophane","Acta Crystallographica Section E","2005","61","7","o2175","o2176","10.1107/S1600536805018349","","","0.71073","MoKα","","0.1304","0.0549","","","0.1225","0.1642","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206136","13.906","0.004","13.906","0.004","16.263","0.005","90","","90","","90","","3144.9","1.6","143","2","143","2","","","","","","","","3","I 41 2 2","I 4bw 2bw","98","","syn-exo-4,7,12,15-Tetrakis(trimethylsilyl)-4,7,12,15- tetrahydro[2.2]paracyclophane","","- C28 H52 Si4 -","- C28 H52 Si4 -","- C112 H208 Si16 -","4","0.25","BT6680","Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Savinsky, Rainer","<i>syn</i>-<i>exo</i>-4,7,12,15-Tetrakis(trimethylsilyl)-4,7,12,15-tetrahydro[2.2]paracyclophane","Acta Crystallographica Section E","2005","61","7","o2177","o2178","10.1107/S1600536805018350","","","0.71073","MoKα","","0.0489","0.0404","","","0.1065","0.1142","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206137","6.6033","0.001","12.3957","0.0018","6.7152","0.001","90","","102.783","0.012","90","","536.03","0.14","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(dibromomethylidene)cyclohexane","","- C8 H8 Br4 -","- C8 H8 Br4 -","- C16 H16 Br8 -","2","0.5","BT6681","Jones, Peter G.; Kämpen, Jan; Bubenitschek, Peter; Hopf, Henning","1,4-Bis(dibromomethylidene)cyclohexane: crystal packing with Br···Br and Br···π contacts","Acta Crystallographica Section E","2005","61","7","o2179","o2180","10.1107/S1600536805018374","","","0.71073","MoKα","","0.0652","0.0415","","","0.0976","0.1051","","","","","","1.126","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206138","5.8205","0.0005","18.0795","0.0015","10.6725","0.001","90","","94.324","0.006","90","","1119.89","0.17","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-2,2,6,6-Tetramethyl-4-hepten-3-one","","- C11 H20 O -","- C11 H20 O -","- C44 H80 O4 -","4","1","BT6682","Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Mlynek, Cornelia","(<i>E</i>)-2,2,6,6-Tetramethylhept-4-en-3-one","Acta Crystallographica Section E","2005","61","7","o2181","o2182","10.1107/S1600536805018386","","","0.71073","MoKα","","0.0714","0.0401","","","0.0886","0.0981","","","","","","0.928","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206139","8.8352","0.0004","10.0584","0.0007","11.4944","0.0008","71.2","0.03","88.61","0.04","69.86","0.04","903.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tricarbonyl[η^4^-2-phenyl-4-(3-phenylallylidene)-4H-oxazol-5-onato]iron","","- C21 H13 Fe N O5 -","- C21 H13 Fe N O5 -","- C42 H26 Fe2 N2 O10 -","2","1","BT6683","Imhof, Wolfgang; Garms, Stefan","Tricarbonyl[η^4^-2-phenyl-4-(3-phenylallylidene)-4<i>H</i>-oxazol-5-one]iron(0)","Acta Crystallographica Section E","2005","61","7","m1413","m1415","10.1107/S1600536805019483","","","0.71073","MoKα","","0.0533","0.0393","","","0.0911","0.0974","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206140","7.073","0.003","7.423","0.003","7.711","0.003","83.87","0.03","81.98","0.03","62.24","0.03","354.3","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-2-nitroaniline","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C12 H10 Cl2 N4 O4 -","2","1","BT6685","Ng, Seik Weng","5-Chloro-2-nitroaniline","Acta Crystallographica Section E","2005","61","7","o2299","o2300","10.1107/S1600536805019707","","","0.71073","MoKα","","0.048","0.041","","","0.118","0.122","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206141","12.409","0.003","3.768","0.002","13.349","0.003","90","","104.42","0.03","90","","604.5","0.4","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-Dihydroxybenzaldehyde","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","BT6686","Ng, Seik Weng","2,3-Dihydroxybenzaldehyde","Acta Crystallographica Section E","2005","61","7","o2301","o2302","10.1107/S1600536805019719","","","0.71073","MoKα","","0.04","0.036","","","0.108","0.111","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206142","6.9774","0.0002","10.1668","0.0003","27.6762","0.0007","90","","96.495","0.002","90","","1950.69","0.09","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,4-dichloronitrobenzene‒aniline (2/1)","","- C18 H13 Cl4 N3 O4 -","- C18 H13 Cl4 N3 O4 -","- C72 H52 Cl16 N12 O16 -","4","1","BT6687","Sarah A. Barnett; Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.","3,4-Dichloro-1-nitrobenzene‒aniline (2/1)","Acta Crystallographica Section E","2005","61","7","o2318","o2319","10.1107/S1600536805019999","","","0.71073","MoKα","","0.0695","0.0382","","","0.0713","0.0805","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206143","9.624","0.006","12.811","0.007","13.392","0.009","112.231","0.005","96.527","0.006","90.078","0.006","1516.7","1.6","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","[2-Carboxy-2,2',2''-nitrilotris(ethanethiolato)- κ^4^N,S,S',S''](triphenylphosphine-κP)rhenium(III) acetone solvate","","- C28 H33 N O3 P Re S3 -","- C28 H33 N O3 P Re S3 -","- C56 H66 N2 O6 P2 Re2 S6 -","2","1","CF6427","Eik Schiller; Werner Kraus; Günter Reck; Hartmut Spies; Hans-Jürgen Pietzsch","[2-Carboxy-2,2',2''-nitrilotris(ethanethiolato)-κ^4^<i>N</i>,<i>S</i>,<i>S</i>',<i>S</i>''](triphenylphosphine-κ<i>P</i>)rhenium(III) acetone solvate","Acta Crystallographica Section E","2005","61","7","m1373","m1375","10.1107/S1600536805018660","","","0.71073","MoKα","","0.09","0.0737","","","0.2027","0.214","","","","","","0.986","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206144","5.2736","0.0005","7.7366","0.0006","13.6863","0.001","89.184","0.006","83.433","0.006","74.64","0.006","534.84","0.08","293","","293","","","","","","","","","3","P -1","-P 1","2","","2-Phenoxybenzoic acid","","- C13 H10 O3 -","- C13 H10 O3 -","- C26 H20 O6 -","2","1","CF6429","Andrew Parkin; Suzanne M. Harte; Donnie Carmichael; Scott Currie; Lorna Drummond; Adam Haahr; Kevin Haggerty; Tracey Hunter; André Lamarque; Loretta Lawton; Craig Martin; Jennifer E. Mathieson; Thomas McGlone; Julie McGregor; Liam McMillan; Louise Robertson; Robert Thatcher; Steven Vance; Chick C. Wilson","2-Phenoxybenzoic acid at room temperature","Acta Crystallographica Section E","2005","61","7","o2280","o2282","10.1107/S1600536805019495","","","0.71073","MoKα","","0.0811","0.0538","","0.1637","0.1561","0.1637","","","","","","0.9314","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206145","9.2618","0.0004","23.6323","0.0008","15.1606","0.0007","90","","103.023","0.004","90","","3233","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7,11-[Butane-1,4-diyldioxydi-o-phenylenedimethylene]-6,6-dichloro- 4,4-bis(pyrrolidin-1-yl)-2λ^5^,4λ^5^,6λ^5^-triphosphaza-1,3,5,7,11- pentaazaspiro[5.5]undeca-1,3,5-triene","","- C29 H42 Cl2 N7 O2 P3 -","- C29 H42 Cl2 N7 O2 P3 -","- C116 H168 Cl8 N28 O8 P12 -","4","1","CF6432","Tercan, Barış; Hökelek, Tuncer; Büyükgüngör, Orhan; Asmafiliz, Nuran; İlter, Elif Ece; Kılıç, Zeynel","7,11-(Butane-1,4-diyldioxydi-<i>o</i>-phenylenedimethylene)-6,6-dichloro-4,4-bis(pyrrolidin-1-yl)-2λ^5^,4λ^5^,6λ^5^-triphosphaza-1,3,5,7,11-pentaazaspiro[5.5]undeca-1,3,5-triene","Acta Crystallographica Section E","2005","61","7","o2145","o2147","10.1107/S1600536805018362","","","0.71073","MoKα","","0.0425","0.0335","","","0.0851","0.089","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206146","11.768","0.004","8.164","0.003","20.428","0.007","90","","105.474","0.006","90","","1891.5","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-Oxido-1-naphthaldehyde (2-hydroxybenzoyl)hydrazonato]pyridinenickel(II)","","- C23 H17 N3 Ni O3 -","- C23 H17 N3 Ni O3 -","- C92 H68 N12 Ni4 O12 -","4","1","CF6433","Ming-Li Liu; Jian-Min Dou; Da-Qi Wang; Da-Cheng Li","[2-Oxido-1-naphthaldehyde (2-hydroxybenzoyl)hydrazonato]pyridinenickel(II)","Acta Crystallographica Section E","2005","61","7","m1366","m1367","10.1107/S1600536805018672","","","0.71073","MoKα","","0.0562","0.0377","","","0.0821","0.0921","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206147","15.005","0.003","10.2992","0.0019","19.602","0.004","90","","97.984","0.003","90","","2999.9","1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Cholesteryl isobutylcarbonate","","- C32 H54 O3 -","- C32 H54 O3 -","- C128 H216 O12 -","4","2","CF6437","Park, Young Ja; Bae, Jinmi; Lah, Myoung Soo","Cholesteryl isobutylcarbonate","Acta Crystallographica Section E","2005","61","7","o2312","o2314","10.1107/S1600536805020118","","","0.71073","MoKα","","0.0752","0.0578","","","0.1543","0.1689","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206148","8.4402","0.0007","22.1502","0.0019","14.5043","0.0012","90","","95.835","0.002","90","","2697.6","0.4","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Diethyl 2,5-bis(3,4,5-trimethoxyphenyl)furan-3,4-dicarboxylate 0.16-hydrate","","- C28 H32.32 O11.16 -","- C28 H32.32 O11.16 -","- C112 H129.28 O44.64 -","4","1","CI6584","Hu, Sheng-Li; Wu, An-Xin","Diethyl 2,5-bis(3,4,5-trimethoxyphenyl)furan-3,4-dicarboxylate 0.16-hydrate","Acta Crystallographica Section E","2005","61","7","o2030","o2032","10.1107/S1600536805016430","","","0.71073","MoKα","","0.0996","0.0638","","","0.1579","0.1803","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","194389","2020-10-21","18:00:00",""
"2206149","7.846","0.005","16.758","0.014","12.94","0.015","90","","98.374","0.012","90","","1683","3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-4-(4-nitrophenyl)‒6-oxo-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridine","","- C19 H16 N4 O3 -","- C19 H16 N4 O3 -","- C76 H64 N16 O12 -","4","1","CI6587","Jiang, Hong; Tu, Shu-Jiang; Zhu, Song-Lei","3-Methyl-4-(4-nitrophenyl)-6-oxo-1-phenyl-4,5-dihydropyrazolo[3,4-<i>b</i>]pyridine","Acta Crystallographica Section E","2005","61","7","o2074","o2075","10.1107/S1600536805017800","","","0.7107","MoKα","","0.0739","0.0616","","","0.1458","0.1539","","","","","","1.131","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206150","7.078","0.001","11.597","0.002","13.924","0.002","77.89","0.01","75.41","0.01","79.35","0.01","1070.9","0.3","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","Bis(trimethylaminium) hexaaquazinc(II) bis(naphthalene-1,6-disulfonate)","","- C32 H56 N2 O18 S4 Zn -","- C32 H56 N2 O18 S4 Zn -","- C32 H56 N2 O18 S4 Zn -","1","0.5","CI6590","Wei-Guang San; Hai Feng; Li Li; Zhi-Min Jin; Mao-Lin Hu","Bis(triethylaminium) hexaaquazinc(II) bis(naphthalene-1,6-disulfonate)","Acta Crystallographica Section E","2005","61","7","m1363","m1365","10.1107/S160053680501888X","","","0.71073","MoKα","","0.0476","0.0366","","","0.1022","0.1061","","","","","","1.098","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206151","5.2029","0.0014","7.79","0.002","13.496","0.004","99.166","0.004","90.369","0.004","106.993","0.004","515.6","0.2","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","5-butyl-6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one","","- C9 H14 N2 O S -","- C9 H14 N2 O S -","- C18 H28 N4 O2 S2 -","2","1","CI6591","Long, Tao; Zhou, Hong-Bin; Wu, An-Xin","5-Butyl-6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","7","o2169","o2171","10.1107/S1600536805018465","","","0.71073","MoKα","","0.0726","0.0567","","","0.1516","0.1645","","","","","","1.061","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206152","27.942","0.009","14.203","0.006","8.353","0.003","90","","90.291","0.006","90","","3315","2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,6,6a,7,8,8a-Hexahydro-6a,7-dihydroxy-13bH-indeno[2,1-c]phenanthren- 9(13cH)-one hemihydrate","","- C21 H21 O3.5 -","- C21 H21 O3.5 -","- C168 H168 O28 -","8","1","CI6592","Hong-Tao Mu; Lin Liu; Hai-Bin Song; He-Yang Li; Wen-Bin Chen","5,6,6a,7,8,8a-Hexahydro-6a,7-dihydroxy-13b<i>H</i>-indeno[2,1-<i>c</i>]phenanthren-9(13c<i>H</i>)-one hemihydrate","Acta Crystallographica Section E","2005","61","7","o2216","o2218","10.1107/S1600536805018891","","","0.71073","MoKα","","0.08","0.0432","","","0.0882","0.1017","","","","","","1.017","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206153","23.458","0.007","13.923","0.004","8.228","0.002","90","","101.163","0.005","90","","2636.5","1.3","292","2","292","2","","","","","","","","7","C 1 c 1","C -2yc","9","(MB)[PbI~3~].DMF","catena-Poly[[[3,7-bis(dimethylamino)phenazathionium] lead(II)-tri-μ-iodo] N,N'-dimethylformamide]","","- C19 H25 I3 N4 O Pb S -","- C19 H25 I3 N4 O Pb S -","- C76 H100 I12 N16 O4 Pb4 S4 -","4","1","CI6594","Ming-Tian Li; Qin-Ling Liao; Xu-Cheng Fu; Cheng-Gang Wang","<i>catena</i>-Poly[[[3,7-bis(dimethylamino)phenothiazonium] lead(II)-tri-μ-iodo] <i>N</i>,<i>N</i>'-dimethylformamide]","Acta Crystallographica Section E","2005","61","7","m1396","m1397","10.1107/S1600536805019331","","","0.71073","MoKα","","0.049","0.037","","","0.0682","0.0721","","","","","","0.926","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206154","7.8763","0.0003","25.0242","0.0007","12.7232","0.0003","90","","101.275","0.001","90","","2459.32","0.13","297","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua(cyclohexane-1,1-diacetato-κ^2^O,O')(phenanthroline- κ^2^N,N')manganese(II) trihydrate","","- C22 H32 Mn N2 O9 -","- C22 H32 Mn N2 O9 -","- C88 H128 Mn4 N8 O36 -","4","1","CI6595","Liang Shen; Li-Cheng Yan; Zhi-Min Jin; Yi-Jian Zhang","Diaqua(cyclohexane-1,1-diacetato-κ^2^<i>O,O</i>')(phenanthroline-κ^2^<i>N,N</i>')manganese(II) trihydrate","Acta Crystallographica Section E","2005","61","7","m1419","m1421","10.1107/S1600536805019665","","","0.7107","MoKα","","","0.035","","","","0.075","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206155","11.995","0.004","11.002","0.004","19.965","0.007","90","","101.419","0.006","90","","2582.6","1.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(2,6-Dihydroxyphenyl)-3,3,6,6-tetramethyl-N-(4-methylphenyl)- 1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridine","","- C30 H33 N O4 -","- C30 H33 N O4 -","- C120 H132 N4 O16 -","4","1","CI6596","Hong Jang; Tuanjie Li; Shujiang Tu; Xiang Zou","9-(2,6-Dihydroxyphenyl)-3,3,6,6-tetramethyl-<i>N</i>-(4-methylphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridine","Acta Crystallographica Section E","2005","61","7","o2296","o2298","10.1107/S1600536805019720","","","0.71073","MoKα","","0.2283","0.0733","","","0.1689","0.2191","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206156","29.409","0.004","5.8286","0.0014","11.73","0.003","90","","101.22","0.008","90","","1972.2","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Benzyloxy-6-fluoropyridazine","","- C11 H9 F N2 O -","- C11 H9 F N2 O -","- C88 H72 F8 N16 O8 -","8","2","CI6597","Fang-Zhong Hu; Min Zhang; Hai-Bin Song; Xiao-Mao Zou; Hua-Zheng Yang","3-Benzyloxy-6-fluoropyridazine","Acta Crystallographica Section E","2005","61","7","o2241","o2242","10.1107/S1600536805019161","","","0.71073","MoKα","","0.1669","0.0532","","","0.1221","0.1623","","","","","","0.984","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206157","10.9285","0.0006","21.3431","0.0007","16.8988","0.0008","90","","98.804","0.004","90","","3895.2","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(1,10-phenanthroline-κ^2^N,N')iron(II) squarate octahydrate","","- C40 H40 Fe N6 O12 -","- C40 H40 Fe N6 O12 -","- C160 H160 Fe4 N24 O48 -","4","1","CI6598","Uçar, İbrahim; Paşaoĝlu, Hümeyra; Büyükgüngör, Orhan; Bulut, Ahmet","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) squarate octahydrate","Acta Crystallographica Section E","2005","61","7","m1405","m1407","10.1107/S1600536805019550","","","0.71073","MoKα","","0.0651","0.0405","","","0.1043","0.1128","","","","","","0.961","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206158","10.949","0.004","9.344","0.003","18.961","0.005","90","","109.154","0.016","90","","1832.5","1","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","exo spiroalcohol","2-Hydroxy-2'-oxo-1,2,3,3a,8,8a,1',2',3',4'-decahydrospiro[cyclopenta[a]indene- 3,1'-naphthalen]-8-yl acetate","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","2","CI6600","Hong-Tao Mu; He-Yang Li; Hai-Bin Song; Wen-Bin Chen","2-Hydroxy-2'-oxo-1,2,3,3a,8,8a,1',2',3',4'-decahydrospiro[cyclopenta[<i>a</i>]indene-3,1'-naphthalen]-8-yl acetate","Acta Crystallographica Section E","2005","61","7","o2305","o2307","10.1107/S1600536805019835","","","0.71073","MoKα","","0.0454","0.0338","","","0.0792","0.0873","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206159","16.547","0.004","6.053","0.002","16.924","0.004","90","","111.93","0.02","90","","1572.4","0.8","295","2","295","3","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","5-Bromo-1H-indole-3-carbaldehyde 2-nitrophenylhydrazone hemihydrate","","- C16 H12 Br N4 O3.5 -","- C16 H12 Br N4 O3.5 -","- C64 H48 Br4 N16 O14 -","4","1","CI6605","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng","5-Bromo-1<i>H</i>-indole-3-carbaldehyde 2-nitrophenylhydrazone hemihydrate","Acta Crystallographica Section E","2005","61","7","o2308","o2309","10.1107/S1600536805020064","","","0.71073","MoKα","","0.0598","0.0382","","","0.0994","0.1101","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206160","11.8342","0.001","26.0933","0.0019","12.4701","0.0011","90","","116.845","0.006","90","","3435.7","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[N,N'-Diphenylureato(2-)][phthalocyaninato(2-)]titanium(IV)","","- C45 H26 N10 O Ti -","- C45 H26 N10 O Ti -","- C180 H104 N40 O4 Ti4 -","4","1","CV6506","Darwish, Wael; Harms, Klaus; Sundermeyer, Jörg","[<i>N</i>,<i>N</i>'-Diphenylureato(2{-})][phthalocyaninato(2{-})]titanium(IV)","Acta Crystallographica Section E","2005","61","7","m1280","m1282","10.1107/S1600536805015850","","","0.71073","MoKα","","","0.042","","","","0.0914","","","","","","0.804","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206161","7.507","0.005","20.018","0.014","9.6","0.007","90","","103.33","0.011","90","","1403.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(ferrocenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-thiazole","","- C15 H13 Fe N5 S -","- C15 H13 Fe N5 S -","- C60 H52 Fe4 N20 S4 -","4","1","CV6515","Shao, Ling; Hu, Yan; Zhou, Xin; Zhang, Qing; Jin, Zhong; Liu, Jian-Bing; Fang, Jian-Xin","2-Amino-4-(ferrocenyl)-5-(1<i>H</i>-1,2,4-triazol-1-yl)-1,3-thiazole","Acta Crystallographica Section E","2005","61","7","m1269","m1271","10.1107/S1600536805017186","","","0.71073","MoKα","","0.0474","0.0308","","","0.0736","0.0917","","","","","","1.092","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206162","10.8522","0.0012","11.4576","0.0002","20.2987","0.0002","93.58","0.001","95.311","0.001","94.243","0.001","2500.1","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","1,2-Dibenzoyl-3,4-bis(4-methoxyphenyl)cyclobutane","","- C32 H28 O4 -","- C32 H28 O4 -","- C128 H112 O16 -","4","2","CV6516","Steyl, Gideon; Hill, Tania; Roodt, Andreas","1,2-Dibenzoyl-3,4-bis(4-methoxyphenyl)cyclobutane","Acta Crystallographica Section E","2005","61","7","o1978","o1980","10.1107/S1600536805016806","","","0.71073","MoKα","","0.0761","0.046","","","0.1027","0.1162","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206163","7.5001","0.0008","11.992","0.0013","14.111","0.0014","90.867","0.01","93.531","0.007","107.084","0.008","1210.1","0.2","100","2","100","","","","","","","","","4","P -1","-P 1","2","","N-[(1E)-(2,4-Dinitrophenyl)methylene]aniline","","- C13 H9 N3 O4 -","- C13 H9 N3 O4 -","- C52 H36 N12 O16 -","4","2","CV6518","Barys, Maciej; Ciunik, Zbigniew","<i>N</i>-[(<i>E</i>)-(2,4-Dinitrophenyl)methylene]aniline","Acta Crystallographica Section E","2005","61","7","o1967","o1969","10.1107/S1600536805016922","","","0.71073","MoKα","","0.0821","0.0429","","","0.0789","0.0859","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206164","7.8","0.0018","9.366","0.002","8.474","0.002","90","","96.114","0.004","90","","615.5","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquadibromobis(1H-imidazole)nickel(II)","","- C6 H12 Br2 N4 Ni O2 -","- C6 H12 Br2 N4 Ni O2 -","- C12 H24 Br4 N8 Ni2 O4 -","2","0.5","CV6519","Zhang, Hui; Fang, Liang; Yuan, Runzhang","Diaquadibromobis(1<i>H</i>-imidazole)nickel(II)","Acta Crystallographica Section E","2005","61","7","m1391","m1392","10.1107/S1600536805019069","","","0.71073","MoKα","","0.0237","0.0203","","","0.0496","0.051","","","","","","1.054","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206165","9.071","0.002","9.546","0.002","11.506","0.003","66.45","0.004","71.709","0.004","74.49","0.004","855.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N'-(2-Fluorobenzylidene)-2-(quinolin-8-yloxy)acetohydrazide methanol solvate","","- C19 H18 F N3 O3 -","- C19 H18 F N3 O3 -","- C38 H36 F2 N6 O6 -","2","1","CV6520","Yong-Hong Wen; Shu-Sheng Zhang; Mao-Jie Li; Xue-Mei Li","<i>N</i>'-(2-Fluorobenzylidene)-2-(quinolin-8-yloxy)acetohydrazide methanol solvate","Acta Crystallographica Section E","2005","61","7","o2045","o2046","10.1107/S1600536805017575","","","0.71073","MoKα","","0.0503","0.0424","","","0.1135","0.1223","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206166","11.5192","0.0018","7.3222","0.0011","20.048","0.003","90","","90","","90","","1691","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-N-Methyl-1H-1,2,4-triazole-4-amino-5-mercapto-1,2,4-triazole","","- C5 H7 N7 S -","- C5 H7 N7 S -","- C40 H56 N56 S8 -","8","1","CV6521","Xu, Liang-Zhong; Yu, Guan-Ping; Xu, Feng-Ling; Li, Wei-Hua","4-Amino-3-(1,2,4-triazol-1-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","7","o2061","o2062","10.1107/S1600536805017587","","","0.71073","MoKα","","0.0478","0.0312","","","0.074","0.0832","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206167","18.476","0.004","11.494","0.002","8.4632","0.0017","90","","90","","90","","1797.3","0.6","292","2","292","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","1,2-Dimethyl-4,5-bis(phenoxymethyl)benzene","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","0.5","CV6522","Guo-Dong Yin; Zhi-Guo Wang; An-Xin Wu","1,2-Dimethyl-4,5-bis(phenoxymethyl)benzene","Acta Crystallographica Section E","2005","61","7","o2148","o2149","10.1107/S1600536805018076","","","0.71073","MoKα","","0.0729","0.0447","","","0.1101","0.1201","","","","","","0.893","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206168","9.3444","0.0009","10.1558","0.001","11.6007","0.0011","99.651","0.002","100.645","0.002","102.014","0.002","1033.65","0.17","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyylsulfonamido)- 1H-pyrazole-3-carbonitrile","","- C18 H11 Cl2 F3 N4 O3 S -","- C18 H11 Cl2 F3 N4 O3 S -","- C36 H22 Cl4 F6 N8 O6 S2 -","2","1","CV6524","Zhang, Xiao-Hong; Zhong, Ping; Xiao, Hong-Ping; Hu, Mao-Lin","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenylsulfonamido)-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","7","o2134","o2135","10.1107/S160053680501812X","","","0.71073","MoKα","","0.0989","0.078","","","0.181","0.196","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206169","7.7987","0.0013","11.324","0.002","17.75","0.003","90","","100.625","0.003","90","","1540.7","0.5","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(3,4-Dichlorobenzoylmethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C15 H9 Cl2 N O4 S -","- C15 H9 Cl2 N O4 S -","- C60 H36 Cl8 N4 O16 S4 -","4","1","CV6525","Liang-Zhong Xu; Yong-Wei Huang; Guan-Ping Yu; Pu-Yong Zhang; Ya-Xun Yang","2-(3,4-Dichlorobenzoylmethyl)-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide","Acta Crystallographica Section E","2005","61","7","o2123","o2124","10.1107/S1600536805018301","","","0.71073","MoKα","","0.075","0.0401","","","0.0902","0.1066","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206170","19.9786","0.0017","5.355","0.0004","13.5855","0.0012","90","","107.507","0.002","90","","1386.1","0.2","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N S2 -","- C13 H21 N S2 -","- C52 H84 N4 S8 -","4","1","CV6526","Muller, Alfred; Otto, Stefanus","Methyl 2-(cyclohexylamino)cyclopent-1-ene-1-dithiocarboxylate","Acta Crystallographica Section E","2005","61","7","o2198","o2199","10.1107/S1600536805018180","","","0.71073","MoKα","","","0.044","","","","0.1116","","","","","","0.833","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206171","6.287","0.0005","13.248","0.0009","22.25","0.0009","90","","90","","90","","1853.2","0.2","293","2","293","2","","","","","","","","5","P b c 21","P 2c -2b","29","","2-(Biphenyl-4-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","CV6528","Mahendra, M; Jayalakshmi, K.; Basappa; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J.","2-(Biphenyl-4-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2005","61","7","o2315","o2317","10.1107/S1600536805019732","","","0.71073","MoKα","","0.067","0.045","","","0.0961","0.1097","","","","","","1.092","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206172","8.6418","0.0004","11.8765","0.0006","18.2755","0.0012","90","","90","","90","","1875.69","0.18","193","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,6S,7R,8R,9S,9aS)-Methyl 6,9-diacetoxy-7,8-diazidoperhydro- 5-oxothiazolo[3,2-a]azepine-3-carboxylate","","- C14 H17 N7 O7 S -","- C14 H17 N7 O7 S -","- C56 H68 N28 O28 S4 -","4","1","CV6529","Hörger, Rolf; Marsch, Michael; Geyer, Armin; Harms, Klaus","(3<i>R</i>,6<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,9a<i>S</i>)-Methyl 6,9-diacetoxy-7,8-diazidoperhydro-5-oxothiazolo[3,2-<i>a</i>]azepine-3-carboxylate","Acta Crystallographica Section E","2005","61","7","o2191","o2192","10.1107/S160053680501843X","","","0.71073","MoKα","","","0.0229","","","","0.0574","","","","","","1.029","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206173","5.925","0.0012","10.514","0.002","11.567","0.002","103.54","0.03","91.1","0.03","90.19","0.03","700.4","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-phenyl-1-(1-phenylethylidene)thiosemicarbazide","","- C15 H15 N3 S -","- C15 H15 N3 S -","- C30 H30 N6 S2 -","2","1","CV6531","Fangfang Jian; Ying Li; Hailian Xiao","4-Phenyl-1-(1-phenylethylidene)thiosemicarbazide","Acta Crystallographica Section E","2005","61","7","o2219","o2220","10.1107/S1600536805019070","","","0.71073","MoKα","","0.1717","0.0544","","","0.1323","0.1693","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206174","14.1805","0.0008","10.1822","0.0005","18.3636","0.001","90","","91.08","0.001","90","","2651","0.2","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N-{3-(4-methylphenyl)-6-[(Z)-(4-methylphenyl)methylidene]-2-phenyl- 2-azabicyclo[2.2.2]oct-5-ylidene}aniline","","- C34 H32 N2 -","- C34 H32 N2 -","- C136 H128 N8 -","4","1","CV6534","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","<i>N</i>-{3-(4-Methylphenyl)-6-[(<i>Z</i>)-(4-methylphenyl)methylidene]-2-phenyl-2-azabicyclo[2.2.2]oct-5-ylidene}aniline","Acta Crystallographica Section E","2005","61","7","o2277","o2279","10.1107/S1600536805019471","","","0.71073","MoKα","","0.0558","0.0427","","","0.1158","0.1274","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206175","9.407","0.004","10.776","0.004","18.174","0.007","84.279","0.005","86.952","0.005","84.89","0.005","1824","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Acetonitrile-κN)[2-(3,5-dimethylpyrazol-1-yl)benzothiazole-κ^2^N,N'] (dinitrato-κ^2^O,O')cobalt(II)","","- C14 H14 Co N6 O6 S -","- C14 H14 Co N6 O6 S -","- C56 H56 Co4 N24 O24 S4 -","4","2","DN6222","Zhi-Gang Zhang; Yuan-Yuan Sun; Xiao-Ming Jiang","Acetonitrile[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazole]dinitratocobalt(II)","Acta Crystallographica Section E","2005","61","7","m1307","m1309","10.1107/S1600536805017794","","","0.71073","MoKα","","0.1012","0.0976","","","0.2061","0.2084","","","","","","1.198","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206176","6.6382","0.0006","11.4258","0.0006","18.2702","0.0016","90","","107.039","0.007","90","","1324.91","0.19","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Nitro-1-(2-phenylethyl)-1H-benzimidazole","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","1","DN6224","Sema Öztürk Yıldırım; Mehmet Akkurt; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör","6-Nitro-1-(2-phenylethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2005","61","7","o2038","o2039","10.1107/S1600536805017502","","","0.71073","MoKα","","0.0669","0.0419","","","0.1036","0.1131","","","","","","0.926","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206177","26.334","0.008","4.5962","0.0013","9.57","0.003","90","","90","","90","","1158.3","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(3-Nitrophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C44 H40 N16 O12 -","4","1","DN6226","Jun Wan; Chun-Li Li; Xue-Mei Li; Ying Li; Shu-Sheng Zhang; Hong Xu; Ping-Kai Ouyang","1-(3-Nitrophenyl)-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one","Acta Crystallographica Section E","2005","61","7","o1997","o1998","10.1107/S1600536805017198","","","0.71073","MoKα","","0.044","0.0384","","","0.0885","0.092","","","","","","1.139","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206178","7.02","0.003","8.121","0.004","16.888","0.007","90","","100.74","0.04","90","","945.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bipyridine bis[5-amino-1,3,4-thiadiazole-2(3H)-thione]","","- C14 H14 N8 S4 -","- C14 H14 N8 S4 -","- C28 H28 N16 S8 -","2","0.5","DN6230","Deng, Qian-Jun; Yao, Min-Xia; Zeng, Ming-Hua","4,4'-Bipyridine‒5-amino-1,3,4-thiadiazole-2(3<i>H</i>)-thione (1/2)","Acta Crystallographica Section E","2005","61","7","o2239","o2240","10.1107/S1600536805019136","","","0.71073","MoKα","","0.0723","0.0443","","","0.0962","0.109","","","","","","1.013","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206179","7.1407","0.0008","8.7188","0.001","16.8945","0.0019","90","","90","","90","","1051.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","triethylenediaminium dichloride dihydrate","1,4-diazaoniabicyclo[2.2.2]octane dichloride dihydrate","","- C6 H18 Cl2 N2 O2 -","- C6 H18 Cl2 N2 O2 -","- C24 H72 Cl8 N8 O8 -","4","1","DN6231","Thomas C. Lewis; Derek A. Tocher","A low-temperature determination of triethylenediaminium dichloride dihydrate","Acta Crystallographica Section E","2005","61","7","o2202","o2204","10.1107/S1600536805019124","","","0.71073","MoKα","","0.0208","0.0205","","","0.0523","0.0525","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206180","11.3798","0.0004","8.7584","0.0003","13.39","0.0006","90","","99.178","0.001","90","","1317.48","0.09","295","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-amino-4-methyl-6-phenyl-6H-1,3-thiazine-5-carboxylate","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","DN6232","Lin, Xu-Feng","Methyl 2-amino-4-methyl-6-phenyl-6<i>H</i>-1,3-thiazine-5-carboxylate","Acta Crystallographica Section E","2005","61","7","o2207","o2208","10.1107/S1600536805019045","","","0.7107","MoKα","","","0.039","","","","0.106","","","","","","1.005","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206181","4.9836","0.001","7.6562","0.0015","25.698","0.005","90","","90","","90","","980.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","guaiphenesin","3-(2-Methoxyphenoxy)propane-1,2-diol","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","FL6165","Yongli Wang; Ming Li; Lijun Liu; Lina Zhou; Jingkang Wang","3-(2-Methoxyphenoxy)propane-1,2-diol","Acta Crystallographica Section E","2005","61","7","o1999","o2000","10.1107/S1600536805016909","","","0.71073","MoKα","","0.0616","0.0482","","","0.14","0.1482","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206182","5.4122","0.0016","8.447","0.002","12.083","0.004","89.454","0.005","85.718","0.005","77.096","0.004","536.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-5-fluoropyrimidin-2(1H)-one‒2-amino-5-fluoropyrimidin-4(3H)-one‒water (1/1/1)","","- C8 H10 F2 N6 O3 -","- C8 H10 F2 N6 O3 -","- C16 H20 F4 N12 O6 -","2","1","FL6169","Hulme, Ashley T.; Tocher, Derek A.","4-Amino-5-fluoropyrimidin-2(1H)-one‒2-amino-5-fluoropyrimidin-4(3H)-one‒water (1/1/1)","Acta Crystallographica Section E","2005","61","7","o2112","o2113","10.1107/S1600536805018179","","","0.71073","MoKα","","0.057","0.0444","","","0.1152","0.1232","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206183","6.9395","0.0005","16.2519","0.0013","19.1287","0.0015","67.382","0.001","86.524","0.001","81.535","0.001","1969.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Heptaaqua[tetrachlorophthalato(2-)]praseodymium(III) tetrachlorophthalate(-) tetrachlorophthalic acid monohydrate","","- C24 H19 Cl12 O20 Pr -","- C24 H19 Cl12 O20 Pr -","- C48 H38 Cl24 O40 Pr2 -","2","1","HB6175","Na, Xu; Yan, Ouyang; Dai-Zheng, Liao; Zong-Hui, Jiang","Heptaaqua[tetrachlorophthalato(2‒)]praseodymium(III) tetrachlorophthalate(‒) tetrachlorophthalic acid monohydrate","Acta Crystallographica Section E","2005","61","7","m1272","m1274","10.1107/S1600536805017071","","","0.71073","MoKα","","0.0276","0.023","","","0.0558","0.0569","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206184","12.34","0.003","12.836","0.003","14.121","0.003","81.7","0.03","86.2","0.03","71.78","0.03","2101.8","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","cis-Di-tert-butylamidotetra-μ-tert-butylimido-di-μ-oxo-tetratellurium diiodide acetonitrile solvate","","- C26 H59 I2 N7 O2 Te4 -","- C26 H59 I2 N7 O2 Te4 -","- C52 H118 I4 N14 O4 Te8 -","2","1","HB6185","Jari Konu; Tristram Chivers; Risto S. Laitinen; Gabriele Schatte","<i>cis</i>-Di-<i>tert</i>-butylamidotetra-μ-<i>tert</i>-butylimido-di-μ-oxo-tetratellurium diiodide acetonitrile solvate","Acta Crystallographica Section E","2005","61","7","o2251","o2253","10.1107/S1600536805018714","","","0.71073","MoKα","","0.0357","0.0255","","","0.0504","0.055","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206185","16.5483","0.0015","12.3987","0.0011","14.744","0.0013","90","","105.512","0.001","90","","2914.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(aqua)bis(diperchlorato)(3,7,15,19-tetraaza-25,26-dihydroxy-11,23- dimethyltricyclo[19,3,1,1^9,13^]hexacosa-1(25),2,7,9,11,13(26),14,19,21,23- decaene-1κ^2^N,N';2κ^2^N'',N''';1:2κ^2^O:O')dicadmium(II) bis(aqua)(3,7,15,19-tetraaza-25,26-dihydroxy-11,23- dimethyltricyclo[19,3,1,1^9,13^]hexacosa-1(25),2,7,9,11,13(26),14,19,21,23- decaene-1κ^2^N,N';2κ^2^N'',N''';1:2κ^2^O:O')dicadmium(II) diperchlorate","","- C48 H60 Cd4 Cl4 N8 O24 -","- C48 H60 Cd4 Cl4 N8 O24 -","- C96 H120 Cd8 Cl8 N16 O48 -","2","0.5","HB6198","Liu, Bo; Zhou, Hong; Pan, Zhi-Quan; Hu, Xue-Lei; Chen, Lei","Diaquadiperchlorato[μ-11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]hexacosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>'',<i>N</i>''';1:2κ^2^<i>O</i>:<i>O</i>']dicadmium(II) diaqua[μ-11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]hexacosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>'',<i>N</i>''';1:2κ^2^<i>O</i>:<i>O</i>']dicadmium(II) diperchlorate","Acta Crystallographica Section E","2005","61","7","m1295","m1297","10.1107/S1600536805017599","","","0.71073","MoKα","","0.0648","0.0501","","","0.1141","0.1185","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206186","9.485","0.002","6.8022","0.0016","9.681","0.002","90","","118.263","0.003","90","","550.1","0.2","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C22 H18 N6 O2 -","2","0.5","HB6200","Li, Su-Yue; Song, Yin-Yin; You, Zhong-Lu; Wen, Yan-Wei; Qin, Jin-Gui","2-Dicyanomethylene-4,5,5-trimethyl-2,5-dihydrofuran-3-carbonitrile","Acta Crystallographica Section E","2005","61","7","o2093","o2095","10.1107/S1600536805017976","","","0.71073","MoKα","","0.0826","0.0648","","","0.1966","0.2129","","","","","","0.973","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206187","11.2645","0.0019","11.4907","0.0019","13.665","0.002","95.865","0.003","104.109","0.003","100.969","0.003","1663.4","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","catena-Poly[[[tetrakis(dimethylformamide-κO)magnesium(II)]-μ- diphenylphosphato-κ^2^O:O'] trifluoromethanesulfonate]","","- C25 H38 F3 Mg N4 O11 P S -","- C25 H38 F3 Mg N4 O11 P S -","- C50 H76 F6 Mg2 N8 O22 P2 S2 -","2","1","HB6205","Adams, Harry; Rolfe, Alan; Jones, Simon","<i>catena</i>-Poly[[[tetrakis(dimethylformamide-κ<i>O</i>)magnesium(II)]-μ-diphenylphosphato-κ^2^<i>O</i>:<i>O</i>'] trifluoromethanesulfonate]","Acta Crystallographica Section E","2005","61","7","m1251","m1252","10.1107/S1600536805016880","","","0.71073","MoKα","","0.0699","0.0452","","","0.1055","0.1186","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206188","7.97","0.0002","14.374","0.0003","9.575","0.0002","90","","100.335","0.0015","90","","1079.12","0.04","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Difluoro(η^5^,η^5^-propane-2,2-diyldicyclopentadienyl)titanium(IV)","","- C13 H14 F2 Ti -","- C13 H14 F2 Ti -","- C52 H56 F8 Ti4 -","4","1","HB6211","Picka, Michal; Císařová, Ivana; Vinklárek, Jaromír; Erben, Milan","Difluoro(η^5^,η^5^-propane-2,2-diyldicyclopentadienyl)titanium(IV)","Acta Crystallographica Section E","2005","61","7","m1266","m1268","10.1107/S1600536805017095","","","0.71073","MoKα","","0.0375","0.0304","","","0.0815","0.0872","","","","","","0.993","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206189","11.892","0.0002","5.1318","0.0001","12.3063","0.0002","90","","98.125","0.001","90","","743.48","0.02","295","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C4 H17 N2 O12 P3 Zn2 -","- C4 H17 N2 O12 P3 Zn2 -","- C8 H34 N4 O24 P6 Zn4 -","2","1","HB6212","Zabukovec Logar, Nataša; Rajić, Nevenka; Stojaković, Djordje; Šajić, Sanja; Golobič, Amalija; Kaučič, Venčeslav","(C~4~H~12~N~2~)[Zn~2~(PO~4~)(HPO~4~)(H~2~PO~4~)], a layered zinc phosphate with intercalated <i>N</i>-methylpropane-1,3-diaminium cations","Acta Crystallographica Section E","2005","61","7","m1354","m1356","10.1107/S1600536805018908","","","0.71073","MoKα","","0.029","0.0281","","","0.0859","0.0865","","","","","","1.187","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206190","8.193","0.003","5.518","0.002","9.233","0.004","90","","107.33","0.03","90","","398.5","0.3","296","","296","","","","","","","","","7","P 1 2/m 1","-P 2y","10","","catena-poly[[[bis(ethylenediamine)platinum(II)]-μ-chloro- [bis(ethylenediamine)platinum(IV)]-μ-chloro] tetrakis(hexafluorophosphate)]","","- C4 H16 Cl F12 N4 P2 Pt -","- C4 H16 Cl F12 N4 P2 Pt -","- C4 H16 Cl F12 N4 P2 Pt -","1","0.25","HB6213","Matsushita, Nobuyuki","Redetermination of <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-μ-chloro-[bis(ethylenediamine)platinum(IV)]-μ-chloro] tetrakis(hexafluorophosphate)]","Acta Crystallographica Section E","2005","61","7","m1301","m1303","10.1107/S1600536805017873","","","0.7107","MoKα","","0.0297","0.0297","","","0.0872","0.0872","","","","","","1.194","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206191","18.8369","0.0005","13.4729","0.0003","8.9472","0.0002","90","","101.639","0.008","90","","2224","0.11","295","3","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hexaaquanickel(II) bis(thiodiacetato-κ^3^O,S,O')nickel(II) tetrahydrate","","- C8 H28 Ni2 O18 S2 -","- C8 H28 Ni2 O18 S2 -","- C32 H112 Ni8 O72 S8 -","4","1","HB6214","Tian-Tian Pan; Jian-Rong Su; Duan-Jun Xu","Hexaaquanickelate(II) bis(thiodiacetato-κ^3^<i>O,S,O</i>')nickel(II) tetrahydrate","Acta Crystallographica Section E","2005","61","7","m1376","m1378","10.1107/S1600536805018982","","","0.71073","MoKα","","0.022","0.021","","","0.061","0.061","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206192","16.5125","0.0005","17.8156","0.0006","25.5801","0.0008","90","","99.913","0.002","90","","7412.8","0.4","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C34 H39.5 Cl Fe N3.5 Ni O4 P2 S3 -","- C34 H38 Cl Fe N3.5 Ni O4 P2 S3 -","- C272 H304 Cl8 Fe8 N28 Ni8 O32 P16 S24 -","8","2","HB6219","Duff, S. E.; Hitchcock, P. B.; Davies, S. C.; Barclay, J. E.; Evans, D. J.","1,3-Bis(diphenylphosphino)propane-2κ^2^<i>P</i>,<i>P</i>'-{μ-2-[bis(2-mercaptoethyl)amino]ethanesulfinato(3‒)-1κ^4^<i>N</i>,<i>S</i>,<i>S</i>',<i>S</i>'':2κ^2^<i>S</i>,<i>S</i>'}chloro-2κ<i>Cl</i>-dinitroso-1κ^2^<i>N</i>-iron(II)nickel(II) acetonitrile hemisolvate","Acta Crystallographica Section E","2005","61","7","m1313","m1315","10.1107/S1600536805018027","","","0.71073","MoKα","","0.2251","0.1079","","","0.2066","0.2559","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206193","19.69","0.004","8.862","0.002","26.828","0.005","90","","100.721","0.002","90","","4599.6","1.6","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(μ~2~-Bicarbonato-κ^2^O,O')[μ~2~-1,4,8,11,14,18,23,27-octaaza-6,16,25(1,3)- tribenzenabicyclo[9.9.9]nonacosaphane]dicopper(II) triperchlorate acetonitrile solvate","","- C39 H58 Cl3 Cu2 N9 O15 -","- C39 H58 Cl3 Cu2 N9 O15 -","- C156 H232 Cl12 Cu8 N36 O60 -","4","1","HB6220","Derossi, Sofia; Bond, Andrew D.; McKenzie, Christine J.; Nelson, Jane","(μ~2~-Bicarbonato-κ^2^<i>O</i>,<i>O</i>')[μ~2~-1,4,8,11,14,18,23,27-octaaza-6,16,25(1,3)-tribenzenabicyclo[9.9.9]nonacosaphane]dicopper(II) triperchlorate acetonitrile solvate","Acta Crystallographica Section E","2005","61","7","m1379","m1382","10.1107/S1600536805018581","","","0.71073","MoKα","","0.0956","0.0515","","","0.1197","0.1373","","","","","","0.985","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206194","9.667","0.002","12.096","0.002","14.185","0.003","66.41","0.03","85.1","0.03","74.07","0.03","1461.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[4,4'-dimethyl-2,2'-bipyridinium(+)] tetraoxorhenium triiodide","","- C24 H26 I3 N4 O4 Re -","- C24 H26 I3 N4 O4 Re -","- C48 H52 I6 N8 O8 Re2 -","2","1","HB6221","Andrzej Kochel","Bis[4,4'-dimethyl-2,2'-bipyridinium(+)] tetraoxorhenate(VII) triiodide","Acta Crystallographica Section E","2005","61","7","m1368","m1369","10.1107/S1600536805018726","","","0.71073","MoKα","","0.0335","0.0261","","","0.0572","0.059","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206195","7.6177","0.0006","12.2882","0.0009","14.9197","0.0011","95.008","0.001","101.415","0.001","92.755","0.001","1360.69","0.18","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","2,6-Dibenzyl-4,8-dioxo-tetrahydro-2,3a,4a,6,7a,8a-hexaaza-cyclopenta[def] fluorene-8b,8c-dicarboxylic acid diethyl ester","","- C28 H32 N6 O6 -","- C28 H32 N6 O6 -","- C56 H64 N12 O12 -","2","1","HB6223","Li, Yi-Tao; Wang, Zhiguo; Yin, Guodong; Wu, An-Xin","Diethyl 2,6-dibenzyl-4,8-dioxotetrahydro-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2005","61","7","o2187","o2188","10.1107/S1600536805018775","","","0.71073","MoKα","","0.0861","0.0724","","","0.1903","0.2041","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2206196","9.6464","0.0008","7.6262","0.0008","19.7151","0.0008","90","","96.485","0.006","90","","1441.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorobis[1-methylimidazoline-2(3H)-thione]cadmium(II)","","- C8 H12 Cd Cl2 N4 S2 -","- C8 H12 Cd Cl2 N4 S2 -","- C32 H48 Cd4 Cl8 N16 S8 -","4","1","HB6226","Beheshti, Azizolla; Brooks, Neil R.; Clegg, William; Hyvadi, Reza","Dichlorobis[1-methylimidazoline-2(3<i>H</i>)-thione]cadmium(II)","Acta Crystallographica Section E","2005","61","7","m1383","m1385","10.1107/S1600536805019203","","","0.71073","MoKα","","0.0344","0.0225","","","0.0429","0.0461","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206197","9.4211","0.0019","10.741","0.002","19.185","0.004","78.17","0.03","79","0.03","76","0.03","1823.2","0.7","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","μ~2~-Aqua-bis(μ~2~-trifluoroaceto-κ^2^O,O')bis[(trifluoroacetato- κO)bis(pyridine-κN)cobalt(II)]","","- C28 H22 Co2 F12 N4 O9 -","- C28 H22 Co2 F12 N4 O9 -","- C56 H44 Co4 F24 N8 O18 -","2","1","HB6227","Burley, Jonathan C.; Prior, Timothy J.","μ~2~-Aqua-bis(μ~2~-trifluoroaceto-κ^2^<i>O</i>,<i>O</i>')bis[bis(pyridine-κ<i>N</i>)(trifluoroacetato-κ<i>O</i>)cobalt(II)]","Acta Crystallographica Section E","2005","61","7","m1422","m1424","10.1107/S1600536805019586","","","0.71073","MoKα","","0.1014","0.0792","","","0.2126","0.24","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206198","10.3757","0.0005","10.8125","0.0005","16.9455","0.0008","90","","92.095","0.003","90","","1899.8","0.16","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-nitro-2-furaldehyde N-(hydroxymethyl)semicarbazone","","- C7 H8 N4 O5 -","- C7 H8 N4 O5 -","- C56 H64 N32 O40 -","8","1","HG6183","Doriguetto, Antonio C.; de Paula Silva, Carlos H. T.; Ellena, Javier; Trossini, Gustavo H. G.; Chin, Chung Man; Ferreira, Elizabeth I.","5-Nitro-2-furaldehyde <i>N</i>-(hydroxymethyl)semicarbazone","Acta Crystallographica Section E","2005","61","7","o2099","o2101","10.1107/S1600536805017721","","","0.71073","MoKα","","","0.0386","","","","0.1113","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206199","19.6572","0.0016","8.0741","0.0007","17.6413","0.0015","90","","90","","90","","2799.9","0.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachlorocuprate(II)","","- C8 H18 Cl4 Cu N2 -","- C8 H18 Cl4 Cu N2 -","- C64 H144 Cl32 Cu8 N16 -","8","2","HG6186","Sun, Xian-Ming; Qu, Yang","1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachlorocuprate(II)","Acta Crystallographica Section E","2005","61","7","m1360","m1362","10.1107/S160053680501860X","","","0.71073","MoKα","","0.0342","0.0305","","","0.0733","0.0754","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206200","20.4833","0.0018","21.6089","0.0018","16.0523","0.0014","90","","126.549","0.002","90","","5707.9","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","12-chloro-2,10-dibenzyloxy-3,9-dimethoxytetrahydroprotoberberine","2,10-dibenzyloxy-12-chloro-3,9-dimethoxy-5,8,13,13a- tetrahydro-6H-dibenzo[a,g]quinolizine","","- C33 H32 Cl N O4 -","- C33 H32 Cl N O4 -","- C264 H256 Cl8 N8 O32 -","8","1","HG6192","Ding, Yu; Yao, Guang-Min; Chen, Yi-Lang; Yang, Yu-She","Racemic 2,10-dibenzyloxy-12-chloro-3,9-dimethoxy-5,8,13,13a-tetrahydro-6<i>H</i>-dibenzo[<i>a,g</i>]quinolizine","Acta Crystallographica Section E","2005","61","7","o2020","o2021","10.1107/S1600536805017307","","","0.71073","MoKα","","0.1003","0.0626","","","0.1579","0.1769","","","","","","0.956","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206201","8.414","0.0017","9.513","0.0019","10.497","0.002","102.57","0.03","96.58","0.03","97.08","0.03","805.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)- 4-oxo-1,4-dihydroquinoline-3-carboxylic acid","","- C18 H17 F N3 O4 -","- C18 H17 F N3 O4 -","- C36 H34 F2 N6 O8 -","2","1","HG6194","Xian-Wen Li; Feng Zhi; Jian-Hua Shen; Yi-Qiao Hu","1-Cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","Acta Crystallographica Section E","2005","61","7","o2235","o2236","10.1107/S1600536805018623","","","0.71073","MoKα","","0.1129","0.054","","","0.1303","0.1561","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206202","12.296","0.001","10.587","0.002","17.164","0.002","90","","99.77","0.03","90","","2202","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-{[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[(2,6- dimethylphenyl)aminocarbonylmethyl]piperazine","","- C23 H26 Cl N5 O2 -","- C23 H26 Cl N5 O2 -","- C92 H104 Cl4 N20 O8 -","4","1","HG6196","Wang, Hai-Bo; Pu, Yue-Qing; Chen, Jia-Hui; Wang, Jin-Tang","4-{[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine","Acta Crystallographica Section E","2005","61","7","o1994","o1996","10.1107/S1600536805017228","","","0.71073","MoKα","","0.1047","0.0577","","","0.1674","0.2011","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206203","13.9136","0.0007","13.9136","0.0007","4.7065","0.0004","90","","90","","90","","911.12","0.1","105","2","105","2","","","","","","","","4","P 42","P 4c","77","","L-threonyl-L-alanine","","- C7 H14 N2 O4 -","- C7 H14 N2 O4 -","- C28 H56 N8 O16 -","4","1","HG6197","Görbitz, Carl Henrik","<small>L</small>-Threonyl-<small>L</small>-alanine","Acta Crystallographica Section E","2005","61","7","o2012","o2014","10.1107/S1600536805017174","","","0.71073","MoKα","","0.0357","0.0293","","","0.0705","0.074","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206204","11.0071","0.0017","7.915","0.0012","16.645","0.003","90","","104.823","0.003","90","","1401.9","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Fluorobenzylideneamino)-3-(1,2,4-triazol-4-ylmethyl)-1H-1,2,4-triazole- 5(4H)-thione","","- C12 H10 F N7 S -","- C12 H10 F N7 S -","- C48 H40 F4 N28 S4 -","4","1","HG6198","Wei-Hua Li; Guan-Ping Yu; Fa-Qian Liu; Bao-Rong Hou; Zhi-Gang Yu","4-(2-Fluorobenzylideneamino)-3-(1,2,4-triazol-4-ylmethyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","7","o2058","o2060","10.1107/S1600536805017435","","","0.71073","MoKα","","0.0625","0.036","","","0.0841","0.0986","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206205","11.232","0.002","12.274","0.003","16.013","0.003","74.95","0.03","89.49","0.03","68.79","0.03","1978.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Carbonylchlorobis[tris(pentafluorophenyl)phosphine)]rhodium(I)","","- C37 Cl F30 O P2 Rh -","- C37 Cl F30 O P2 Rh -","- C74 Cl2 F60 O2 P4 Rh2 -","2","1","HG6199","Meijboom, Reinout; Muller, Alfred; Roodt, Andreas","<i>trans</i>-Carbonylchlorobis[tris(pentafluorophenyl)phosphine)]rhodium(I)","Acta Crystallographica Section E","2005","61","7","m1283","m1285","10.1107/S1600536805017447","","","0.71073","MoKα","","","0.0495","","","","0.1058","","","","","","0.976","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206206","18.441","0.004","7.8992","0.001","13.014","0.003","90","","95.516","0.016","90","","1887","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-4-[(E)-(4-ethylphenyl)diazenyl]-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan- 2-ylamino]methylene}cyclohexa-2,4-dienone","","- C19 H23 N3 O4 -","- C19 H23 N3 O4 -","- C76 H92 N12 O16 -","4","1","HG6200","Şahin, Onur; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-4-[(<i>E</i>)-(4-ethylphenyl)diazenyl]cyclohexa-2,4-dienone","Acta Crystallographica Section E","2005","61","7","o2076","o2078","10.1107/S1600536805017733","","","0.71073","MoKα","","0.2105","0.1073","","","0.2683","0.3125","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206207","5.633","0.0011","25.961","0.005","7.977","0.0016","90","","102.26","0.03","90","","1139.9","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(Hydroxyethylamino)-1-phenylbut-2-en-1-one","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","HG6201","Yao-Cheng Shi","<i>R</i>~2~^2^(14) dimers in 3-(hydroxyethyl)amino-1-phenylbut-2-en-1-one","Acta Crystallographica Section E","2005","61","7","o2005","o2007","10.1107/S1600536805017290","","","0.71073","MoKα","","0.1571","0.0714","","","0.1728","0.2199","","","","","","0.974","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206208","9.1916","0.001","9.9676","0.0011","10.0055","0.0011","86.049","0.002","72.405","0.002","79.7","0.002","859.61","0.16","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","2-benzylamino-4-phenyl-5,5-dimethyl-1,3,2-dioxaphosphorinane-2-oxide","","- C18 H22 N O3 P -","- C18 H22 N O3 P -","- C36 H44 N2 O6 P2 -","2","1","HG6202","Wan, Shi-Guan; Liu, Chang; Yu, Yan; Yang, Xing-Yu","2-Benzylamino-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinane 2-oxide","Acta Crystallographica Section E","2005","61","7","o2117","o2119","10.1107/S1600536805018003","","","0.71073","MoKα","","0.0475","0.0445","","","0.1178","0.1212","","","","","","1.073","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206209","5.4935","0.0005","22.3315","0.001","7.997","0.0004","90","","99.401","0.006","90","","967.88","0.11","291","","291","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Quinolinum perchlorate","","- C9 H8 Cl N O4 -","- C9 H8 Cl N O4 -","- C36 H32 Cl4 N4 O16 -","4","1","HG6203","Sieroń, Lesław","Quinolinium perchlorate","Acta Crystallographica Section E","2005","61","7","o2091","o2092","10.1107/S1600536805017927","","","0.71073","MoKα","","0.0428","0.0378","","","0.1036","0.1075","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206210","8.7906","0.0012","9.6774","0.0011","10.7788","0.0012","82.41","0.009","78.47","0.01","63.796","0.009","805.11","0.18","150","2","150","2","","","","","","","","3","P -1","-P 1","2","1,3-Bis(3,5-dimethylphenoxy)propane","1,3-Bis(3,5-dimethylphenoxy)propane","","- C19 H24 O2 -","- C19 H24 O2 -","- C38 H48 O4 -","2","1","HG6204","Tooke, Duncan M.; Lutz, M.; Spek, Anthony L.","1,3-Bis(3,5-dimethylphenoxy)propane","Acta Crystallographica Section E","2005","61","7","o2152","o2154","10.1107/S1600536805018532","","","0.71073","MoKα","","0.0741","0.0498","","","0.1207","0.1349","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206211","11.155","0.002","7.0897","0.0016","17.488","0.004","90","","99.313","0.003","90","","1364.8","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(kokusaginine)trihydrate","4,6,7-Trimethoxyfuro[2,3-b]quinoline‒water (2/3)","","- C28 H32 N2 O11 -","- C28 H32 N2 O11 -","- C56 H64 N4 O22 -","2","1","HK6009","Latip, Jalifah; Ali, Noor Hapeedah. M.; Yamin, Bohari M.","4,6,7-Trimethoxyfuro[2,3-<i>b</i>]quinoline‒water (2/3)","Acta Crystallographica Section E","2005","61","7","o2230","o2232","10.1107/S1600536805019082","","","0.71073","MoKα","","0.047","0.041","","","0.099","0.102","","","","","","1.16","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206212","7.4651","0.0015","13.0034","0.0016","15.9759","0.0018","90","","90","","90","","1550.8","0.4","296","2","296","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","2,5-dibenzoyl-1,4-phenylenediamine","2,5-dibenzoyl-1,4-phenylenediamine","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","0.5","HK6017","Zhu, Hong-Jun; Wang, Dan-Dan; Song, Guang-Liang; Wang, Jin-Tang; Wang, Ke-Le","2,5-Dibenzoyl-1,4-phenylenediamine","Acta Crystallographica Section E","2005","61","7","o2209","o2210","10.1107/S1600536805019112","","","0.71073","MoKα","","0.147","0.0543","","","0.1202","0.1509","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206213","7.1993","0.0005","9.2058","0.0007","19.9448","0.0016","101.133","0.002","100.209","0.002","91.704","0.002","1273.64","0.17","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","(Z)-2,3-Dichloro-1,1,4,4-tetrakis-(4-chlorophenyl)but-2-ene","","- C28 H18 Cl6 -","- C28 H18 Cl6 -","- C56 H36 Cl12 -","2","1","HK6018","Shimakoshi, Hisashi; Aritome, Isao; Tokunaga, Mami; Hisaeda, Yoshio","(<i>Z</i>)-2,3-Dichloro-1,1,4,4-tetrakis(4-chlorophenyl)but-2-ene","Acta Crystallographica Section E","2005","61","7","o2063","o2064","10.1107/S160053680501768X","","","0.71073","MoKα","","0.0679","0.0498","","","0.1166","0.1282","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206214","7.985","0.0005","10.9104","0.0006","11.1556","0.0007","90","","108.414","0.002","90","","922.11","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-5-methylpyridinium phosphate","","- C6 H11 N2 O4 P -","- C6 H11 N2 O4 P -","- C24 H44 N8 O16 P4 -","4","1","IS6071","Hai Feng; Cui-Rong Sun; Li Li; Zhi-Min Jin; Bin Tu","2-Amino-5-methylpyridinium phosphate","Acta Crystallographica Section E","2005","61","7","o1983","o1984","10.1107/S1600536805014716","","","0.71073","MoKα","","0.0468","0.0352","","","0.0891","0.093","","","","","","0.973","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206215","20.692","0.011","12.456","0.006","11.792","0.006","90","","114.51","0.008","90","","2765","2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-tert-Butylphenoxy)-2-chloropyrimidine","","- C14 H15 Cl N2 O -","- C14 H15 Cl N2 O -","- C112 H120 Cl8 N16 O8 -","8","1","IS6079","Wei-Min Liu; You-Quan Zhu; Yi-Feng Wang; Gong-Chun Li; Hua-Zheng Yang","4-(4-<i>tert</i>-Butylphenoxy)-2-chloropyrimidine","Acta Crystallographica Section E","2005","61","7","o2040","o2041","10.1107/S1600536805017460","","","0.71073","MoKα","","0.136","0.0552","","","0.1089","0.1337","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206216","6.2021","0.0018","7.6","0.002","10.849","0.003","100.589","0.004","92.777","0.005","113.518","0.004","456.7","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1,4-Bis[chloro(hydroximino)methyl]benzene N,N'-dimethylformamide disolvate","","- C14 H20 Cl2 N4 O4 -","- C14 H20 Cl2 N4 O4 -","- C14 H20 Cl2 N4 O4 -","1","0.5","IS6081","Liu, Xin-Gang; Feng, Ya-Qing; Liu, Dong-Qing; Zhao, Yao","1,4-Bis[chloro(hydroxyimino)methyl]benzene <i>N</i>,<i>N</i>'-dimethylformamide disolvate","Acta Crystallographica Section E","2005","61","7","o1970","o1972","10.1107/S1600536805018738","","","0.71073","MoKα","","0.062","0.0395","","","","0.1037","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206217","8.849","0.001","10.581","0.001","11.3773","0.0008","113.447","0.001","98.852","0.001","106.364","0.002","893.89","0.15","295","1","","","","","","","","","","5","P -1","-P 1","2","","2-(4,6-Dimethoxypyrimidin-2-yloxy)-6-fluoro-N-(3-methylpyridyl)benzylamine","","- C19 H19 F N4 O3 -","- C19 H19 F N4 O3 -","- C38 H38 F2 N8 O6 -","2","1","IS6083","De-Long Shen; Qi-Sun Gong; Cheng-Xia Tan; Jian-Quan Weng","2-(4,6-Dimethoxypyrimidin-2-yloxy)-6-fluoro-<i>N</i>-(3-methylpyridyl)benzylamine","Acta Crystallographica Section E","2005","61","7","o2270","o2271","10.1107/S1600536805019446","","","0.71073","MoKα","","0.0668","0.0496","","","0.1565","0.1726","","","","","","1.063","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206218","17.534","0.001","15.616","0.001","21.394","0.002","90","","90","","90","","5857.9","0.7","153.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 F6 Fe O2 P2 -","- C30 H30 F6 Fe O2 P2 -","- C240 H240 F48 Fe8 O16 P16 -","8","1","IS6084","Hiroshi Nakazawa; Masumi Itazaki; Mari Owaribe","Dicarbonyl(η^5^-pentamethylcyclopentadienyl)(triphenylphosphine)iron(II) hexafluorophosphate","Acta Crystallographica Section E","2005","61","7","m1275","m1276","10.1107/S1600536805017344","","","0.7107","MoKα","","","0.0632","","","","0.1762","","","","","","1.113","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206219","9.2694","0.001","9.3192","0.001","23.448","0.003","90","","95.234","0.002","90","","2017.1","0.4","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(5-Benzyloxy-2,4-dichlorophenyl)hexahydroisoindole-1,3-dione","","- C21 H21 Cl2 N O4 -","- C21 H21 Cl2 N O4 -","- C84 H84 Cl8 N4 O16 -","4","1","IS6087","Neng-Xue Wang; Yan-Ping Luo; Qiong Chen; Guang-Fu Yang","2-(5-Benzyloxy-2,4-dichlorophenyl)perhydroisoindole-1,3-dione monohydrate","Acta Crystallographica Section E","2005","61","7","o2081","o2082","10.1107/S1600536805017770","","","0.71073","MoKα","","0.0699","0.0533","","","0.1251","0.1351","","","","","","1.065","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206220","14.0356","0.0012","15.0658","0.0013","7.1354","0.0006","90","","90","","90","","1508.8","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-methoxy-12-methyl-12-azatetracyclo[9.3^1.10^.0^2.7^] heptadeca-2(7),3,5-triene","","- C18 H25 N O -","- C18 H25 N O -","- C72 H100 N4 O4 -","4","1","IS6088","Swamy, G. Y. S. K.; Ravikumar, K.; Bhujanga Rao, A. K. S.","Dextromethorphan, an antitussive agent","Acta Crystallographica Section E","2005","61","7","o2071","o2073","10.1107/S1600536805017782","","","0.71073","MoKα","","0.0403","0.0383","","","0.1007","0.1022","","","","","","1.082","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206221","7.6684","0.0007","10.2831","0.0009","11.6172","0.001","102.895","0.002","102.286","0.002","102.822","0.002","836.89","0.13","150","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 N4 -","- C22 H16 N4 -","- C44 H32 N8 -","2","1","IS6089","Yong-Ru Liu; Xiang-Ping Li; Jing-An Zhang; Cheng-Yong Su","<i>N</i>,<i>N</i>'-Bis(4-pyridylmethylene)naphthalene-1,5-diamine","Acta Crystallographica Section E","2005","61","7","o2089","o2090","10.1107/S1600536805017940","","","0.71073","MoKα","","","0.0438","","","","0.108","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206222","7.0192","0.0004","22.1771","0.001","10.5972","0.0007","90","","119.541","0.004","90","","1435.17","0.15","293","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(N-Ethylthiocarbamoyl)-3,5-di-2-furyl-2-pyrazoline","","- C14 H15 N3 O2 S -","- C14 H15 N3 O2 S -","- C56 H60 N12 O8 S4 -","4","1","IS6090","Özdemir Gonca; Şamil Işik; Özdemir Zuhal; Bilgin Altan","1-(<i>N</i>-Ethylthiocarbamoyl)-3,5-di-2-furyl-2-pyrazoline","Acta Crystallographica Section E","2005","61","7","o2205","o2206","10.1107/S160053680501915X","","","0.71073","MoKα","","0.0571","0.0494","","","0.1869","0.1393","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206223","15.5846","0.0017","10.1592","0.0011","11.1622","0.0012","90","","121.118","0.002","90","","1513","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(Pyridin-2-yl)hydrazinecarbothioamide","","- C6 H8 N4 S -","- C6 H8 N4 S -","- C48 H64 N32 S8 -","8","1","JH6009","P. F. Rapheal; E. Manoj; M. R. Prathapachandra Kurup; E. Suresh","<i>N</i>-(Pyridin-2-yl)hydrazinecarbothioamide","Acta Crystallographica Section E","2005","61","7","o2243","o2245","10.1107/S1600536805019057","","","0.71073","MoKα","","0.0372","0.0349","","","0.1049","0.107","","","","","","1.119","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206224","9.766","0.0009","6.6155","0.0006","10.5192","0.001","90","","90","","90","","679.61","0.11","292","2","292","2","","","","","","","","4","P c c a","-P 2a 2ac","54","[Mn (C2 O4) (H2 O)2], H2 O","catena-Poly[[[diaquamanganese(II)]-μ-oxalato] monohydrate]","","- C2 H6 Mn O7 -","- C2 H6 Mn O7 -","- C8 H24 Mn4 O28 -","4","0.5","JH6010","Xucheng Fu; Chenggang Wang; Mingtian Li","<i>catena</i>-Poly[[[diaquamanganese(II)]-μ-oxalato] monohydrate]","Acta Crystallographica Section E","2005","61","7","m1348","m1349","10.1107/S1600536805018805","","","0.71073","MoKα","","0.0205","0.0198","","","0.0535","0.0539","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206225","18.0582","0.0005","11.4381","0.0003","18.6791","0.0004","90","","108.796","0.001","90","","3652.45","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[tris(μ~4~-benzene-1,4-dicarboxylato)bis(μ~2~- N,N-diethylformamide)digadolinium(III)] monohydrate]","","- C34 H36 Gd2 N2 O15 -","- C34 H34 Gd2 N2 O15 -","- C136 H136 Gd8 N8 O60 -","4","0.5","LH6399","Poulsen, Rasmus D.; Overgaard, Jacob; Chevallier, Marie-Agnes; Clausen, Henrik F.; Iversen, Bo B.","A gadolinium-based metal‒organic framework, poly[[tris(μ~4~-benzene-1,4-dicarboxylato)bis(μ~2~-<i>N</i>,<i>N</i>-diethylformamide)digadolinium(III)] monohydrate]","Acta Crystallographica Section E","2005","61","7","m1337","m1339","10.1107/S1600536805018271","","","0.71073","MoKα","","0.0314","0.0221","","","0.0522","0.0537","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206226","28.242","0.006","9.5962","0.0019","21.108","0.004","90","","127.74","0.03","90","","4524","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6a-Methyl-7-phenylsulfonyl-6-phenylsulfonylmethyl-7,7a-dihydro-6aH- cyclopropa[d][1,2,3]triazolo[4,3-b]pyridazine:acetone solvate 2:1","","- C21.5 H21 N4 O4.5 S2 -","- C21.5 H21 N4 O4.5 S2 -","- C172 H168 N32 O36 S16 -","8","1","LH6417","Anna Katrusiak; Andrzej Katrusiak","6a-Methyl-7-phenylsulfonyl-6-phenylsulfonylmethyl-7,7a-dihydro-6a<i>H</i>-cyclopropa[<i>d</i>][1,2,3]triazolo[4,3-<i>b</i>]pyridazine acetone hemisolvate","Acta Crystallographica Section E","2005","61","7","o2142","o2144","10.1107/S1600536805018106","","","0.71073","MoKα","","0.2284","0.0584","","","0.0802","0.1207","","","","","","0.902","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206227","6.413","0.001","9.763","0.002","12.113","0.002","79.54","0.03","79.26","0.03","80.61","0.03","726.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(2,4-pyridinedicarboxylato-N,O)-(μ~2~-4,4'-bipyridine)-hexaaqua -dicobalt(II) dihydrate","μ-4,4'-Bipyridine-κ^2^N:N'-bis[triaqua(pyridine-2,4-dicarboxylato- κ^2^N,O)cobalt(II)] dihydrate","","- C24 H30 Co2 N4 O16 -","- C24 H30 Co2 N4 O16 -","- C24 H30 Co2 N4 O16 -","1","0.5","LH6428","Zhang, Xian-Ming","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(II)] dihydrate","Acta Crystallographica Section E","2005","61","7","m1332","m1333","10.1107/S1600536805015473","","","0.71073","MoKα","","0.0749","0.0523","","","0.1288","0.1454","","","","","","1.117","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206228","7.838","0.002","9.609","0.001","17.739","0.003","86.68","0.01","86.1","0.02","75.32","0.01","1288.3","0.4","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","trans-Diaquadichlorooxovanadium(IV) bis[2-(2-pyridylamino)pyridinium] dichloride","","- C20 H24 Cl4 N6 O3 V -","- C20 H24 Cl4 N6 O3 V -","- C40 H48 Cl8 N12 O6 V2 -","2","1","LH6432","Hartung, Jens; Schmidt, Philipp; Svoboda, Ingrid; Fuess, Hartmut","<i>trans</i>-Diaquadichlorooxovanadium(IV) bis[2-(2-pyridylamino)pyridinium] dichloride","Acta Crystallographica Section E","2005","61","7","m1253","m1255","10.1107/S1600536805016843","","","0.71093","MoKα","","0.0612","0.0339","","","0.087","0.0966","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206229","14.861","0.001","7.364","0.001","27.948","0.002","90","","93.42","0.01","90","","3053.1","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","gemfibrozil","5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","LH6433","Bruni, Bruno; Coran, Silvia; Di Vaira, Massimo; Giannellini, Valerio","5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid (gemfibrozil)","Acta Crystallographica Section E","2005","61","7","o1989","o1991","10.1107/S1600536805016855","","","1.5418","CuKα","","0.0837","0.0579","","","0.1747","0.1884","","","","","","0.864","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206230","11.651","0.002","13.942","0.002","8.981","0.002","90","","110.837","0.003","90","","1363.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3040","Poly[(μ~3~-n-hexane-1,6-dicarboxylato)dysprosium(III)]","","- C9 H16 Dy O8 -","- C9 H16 Dy O8 -","- C36 H64 Dy4 O32 -","4","1","LH6434","Lill, Daniel T. de; Brennessel, William W.; Borkowski, Lauren A.; Gunning, Noel S.; Cahill, Christopher L.","Poly[(μ~3~-<i>n</i>-hexane-1,6-dicarboxylato)dysprosium(III)]","Acta Crystallographica Section E","2005","61","7","m1343","m1345","10.1107/S1600536805018246","","","0.71073","MoKα","","0.035","0.0294","","","0.0771","0.0795","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206231","7.3829","0.0011","6.7658","0.001","11.1074","0.0017","90","","93.826","0.002","90","","553.59","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5S,6R)-4,5-Dimethyl-6-phenylmorpholine-2,3-dione","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C24 H26 N2 O6 -","2","1","LH6437","Ji-Dan Yan; Ming Lu; Yu-Ping Guo; Chun-Bao Li; Xiang-Yang Tang","(5<i>S</i>,6<i>R</i>)-4,5-Dimethyl-6-phenylmorpholine-2,3-dione","Acta Crystallographica Section E","2005","61","7","o2167","o2168","10.1107/S160053680501682X","","","0.71073","MoKα","","0.0364","0.0312","","","0.0844","0.087","","","","","","1.099","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206232","9.19","0.005","16.756","0.009","12.69","0.007","90","","95.126","0.01","90","","1946.3","1.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-acetato-bis[μ~2~-N,N'-bis(salicylidene)butane-1,4- diaminato]trimanganese(II)","","- C40 H42 Mn3 N4 O8 -","- C40 H42 Mn3 N4 O8 -","- C80 H84 Mn6 N8 O16 -","2","0.5","LH6439","Ma, Ji-Long; You, Zhong-Lu; Zhu, Hai-Liang","Di-μ~2~-acetato-bis[μ~2~-<i>N</i>,<i>N</i>'-bis(salicylidene)butane-1,4-diaminato]trimanganese(II)","Acta Crystallographica Section E","2005","61","7","m1286","m1288","10.1107/S1600536805017423","","","0.71073","MoKα","","0.0799","0.0405","","","0.0793","0.0878","","","","","","0.835","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206233","9.7833","0.001","9.9027","0.001","10.2853","0.0011","101.957","0.002","104.951","0.002","101.511","0.002","907.46","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Z)-4-(4-Methoxybenzylidene)-2-methylsulfanyl-3-phenethyl-1H-imidazol-5(4H)-one","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C40 H40 N4 O4 S2 -","2","1","LH6440","Ping Wang; Xiao-He Chu; Wei-Ke Su","(<i>Z</i>)-4-(4-Methoxybenzylidene)-2-methylsulfanyl-3-phenethyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2005","61","7","o2200","o2201","10.1107/S1600536805018878","","","0.71073","MoKα","","0.0986","0.0817","","","0.1641","0.1733","","","","","","1.287","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206234","15.5563","0.0008","4.6549","0.0002","15.0454","0.0007","90","","103.399","0.001","90","","1059.83","0.09","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Propane-1,3-diaminium bis(dihydrogenarsenate)","","- C3 H16 As2 N2 O8 -","- C3 H16 As2 N2 O8 -","- C12 H64 As8 N8 O32 -","4","0.5","LH6441","Wilkinson, Hazel S.; Harrison, William T. A.","Propane-1,3-diaminium bis(dihydrogenarsenate)","Acta Crystallographica Section E","2005","61","7","m1289","m1291","10.1107/S1600536805017411","","","0.71073","MoKα","","0.0406","0.0365","","","0.092","0.0944","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206235","9.569","0.007","10.723","0.006","15.416","0.006","90","","90","","90","","1581.8","1.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(1-Benzyl-2-hydroxy-ethyl)phthalamic acid","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","LH6442","McCormac, Paul B.; Pratt, Albert C.; Long, Conor; Howie, R. Alan","(<i>S</i>)-<i>N</i>-(1-Benzyl-2-hydroxyethyl)phthalamic acid","Acta Crystallographica Section E","2005","61","7","o2047","o2049","10.1107/S160053680501740X","","","0.71073","MoKα","","0.2404","0.0752","","","0.1053","0.1296","","","","","","0.853","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206236","10.114","0.002","10.26","0.002","15.126","0.003","78.7","0.03","73.88","0.03","87.45","0.03","1478.6","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2-(acetylamino)-N-benzyl-2-(ethylsulfinyl)acetamide","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C52 H72 N8 O12 S4 -","4","2","LH6443","Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald","2-(Acetylamino)-<i>N</i>-benzyl-2-(ethylsulfinyl)acetamide: structural basis for lack of anticonvulsant activity","Acta Crystallographica Section E","2005","61","7","o2120","o2122","10.1107/S1600536805018258","","","1.54178","CuKα","","0.1229","0.0771","","","0.1738","0.1876","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206237","9.381","0.004","11.552","0.003","14.12","0.004","80.18","0.02","83.89","0.03","74.93","0.03","1452.8","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","(μ~2~-chloro)(μ~2~-η^2^-2-tert-butyl-ethyn-1-yl)- bis[bis(η~5~-cyclopentadienyl)dimethylsilane]dititanium(II)","","- C30 H37 Cl Si2 Ti2 -","- C30 H37 Cl Si2 Ti2 -","- C60 H74 Cl2 Si4 Ti4 -","2","1","LH6444","Kooijman, Huub; Hogenbirk, Marijke; Schat, Gerrit; Akkerman, Otto S.; Bickelhaupt, Friedrich; Spek, Anthony L.","(μ~2~-η^2^-2-<i>tert</i>-Butylethyn-1-yl)(μ~2~-chloro)bis{[bis(η^5^-cyclopentadienyl)dimethylsilane]titanium}","Acta Crystallographica Section E","2005","61","7","m1329","m1331","10.1107/S1600536805017903","","","0.71073","MoKα","","0.1344","0.0703","","","0.1562","0.183","","","","","","1.172","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206238","11.46","0.02","13.094","0.005","13.563","0.009","90","","114.22","0.05","90","","1856","4","295","2","295","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Benzylammonium 2,4-bis(dicyanomethylene)-2,3-dihydroisoindolide","","- C21 H14 N6 -","- C21 H14 N6 -","- C84 H56 N24 -","4","0.5","LH6446","Conway, Shane P.; Pratt, Albert C.; Long, Conor; Howie, R. Alan","Benzylammonium 2,4-bis(dicyanomethylene)-2,3-dihydroisoindolide","Acta Crystallographica Section E","2005","61","7","o2258","o2260","10.1107/S1600536805018866","","","0.71073","MoKα","","0.1029","0.0512","","","0.1145","0.127","","","","","","0.985","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2206239","13.886","0.003","9.898","0.002","10.896","0.002","90","","91.46","0.02","90","","1497.1","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Biphenyl-2-yl)-5-(1-methylhydrazino)-1,3,4-thiadiazole","","- C15 H14 N4 S -","- C15 H14 N4 S -","- C60 H56 N16 S4 -","4","1","LH6447","Hempel, Andrew; Lilian Y. Y. Ma; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","2-(Biphenyl-2-yl)-5-(1-methylhydrazino)-1,3,4-thiadiazole: a thiadiazole‒hydrazine derivative with anticonvulsant properties","Acta Crystallographica Section E","2005","61","7","o2164","o2166","10.1107/S1600536805018453","","","1.54178","CuKα","","0.1618","0.0706","","","0.1333","0.1356","","","","","","0.892","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206240","13.392","0.0007","16.4043","0.0006","15.1901","0.001","90","","90","","90","","3337.1","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","α-Tris(2,4-pentanedionato-κ^2^O,O')vanadium(III)","","- C15 H21 O6 V -","- C15 H21 O6 V -","- C120 H168 O48 V8 -","8","1","LH6448","Kavitha, S. Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","The α polymorph of racemic tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')vanadium(III), redetermined at 120 K","Acta Crystallographica Section E","2005","61","7","m1326","m1328","10.1107/S1600536805018441","","","0.71073","MoKα","","0.156","0.0575","","","0.1045","0.1347","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206241","9.231","0.003","13.375","0.004","13.354","0.004","90","","90","","90","","1648.7","0.9","273","2","298","2","","","","","","","","4","C c c m","-C 2 2c","66","","Poly[μ-cyano-tetracyanodipyridinedicopper(II)]","","- C14 H10 Cu2 N6 -","- C14 H10 Cu2 N6 -","- C56 H40 Cu8 N24 -","4","0.25","LH6449","Xiaohua Pu; Xiaoming Jiang; Yibin Wei; Yanping Li; Pin Yang","Poly[dipyridinecopper(II)-μ-cyano-copper(II)-tri-μ-cyano]","Acta Crystallographica Section E","2005","61","7","m1393","m1395","10.1107/S1600536805019148","","","0.71073","MoKα","","0.0362","0.0299","","","0.0735","0.0769","","","","","","1.002","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206242","6.726","0.002","6.837","0.002","25.267","0.005","83.57","0.02","83.03","0.02","88.03","0.02","1145.8","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chlorobenzamido)ethanaminium chloride","","- C9 H12 Cl2 N2 O -","- C9 H12 Cl2 N2 O -","- C36 H48 Cl8 N8 O4 -","4","2","LH6450","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","A monoamine oxidase B inhibitor: <i>N</i>-(2-aminoethyl)-<i>p</i>-chlorobenzamide (Ro16-6491) hydrochloride","Acta Crystallographica Section E","2005","61","7","o2283","o2285","10.1107/S1600536805019008","","","1.54178","CuKα","","0.1342","0.076","","","0.1918","0.2059","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206243","9.9145","0.0014","10.214","0.002","10.521","0.002","76.905","0.01","63.051","0.009","67.639","0.01","876.4","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","dichloro[1,2-bis(phenylsulfanyl)benzene]palladium","","- C18 H14 Cl2 Pd S2 -","- C18 H14 Cl2 Pd S2 -","- C36 H28 Cl4 Pd2 S4 -","2","1","LH6454","Nobuhiro Takeda; Daisuke Shimizu; Takahiro Sasamori; Norihiro Tokitoh","[1,2-Bis(phenylsulfanyl)benzene]dichloropalladium(II)","Acta Crystallographica Section E","2005","61","7","m1408","m1410","10.1107/S1600536805019409","","","0.7107","MoKα","","0.0186","0.0173","","","0.0426","0.0431","","","","","","1.091","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206244","7.022","0.001","13.667","0.002","15.192","0.002","90","","90","","90","","1458","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(2-acetyl-5-hydroxyphenolato-κ^2^O,O')copper(II)","","- C16 H14 Cu O6 -","- C16 H14 Cu O6 -","- C64 H56 Cu4 O24 -","4","0.5","LH6458","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng","Bis(2-acetyl-5-hydroxyphenolato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2005","61","7","m1429","m1430","10.1107/S160053680501980X","","","0.71073","MoKα","","0.062","0.036","","","0.104","0.117","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206245","8.8121","0.0008","10.0253","0.0009","10.172","0.0009","69.474","0.001","80.252","0.001","81.477","0.001","825.58","0.13","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(3-bromo-1-oxidoanthraquinone-κ^2^<i>O</i>^1^,<i>O</i>^9^)bis(pyridine- κN)copper(II) dihydrate","","- C38 H26 Br2 Cu N2 O8 -","- C38 H26 Br2 Cu N2 O8 -","- C38 H26 Br2 Cu N2 O8 -","1","0.5","LH6459","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Koushik, Saha; Ng, Seik Weng","Bis(3-bromo-1-oxidoanthraquinone-κ^2^<i>O</i>^1^,<i>O</i>^9^)bis(pyridine-κ<i>N</i>)copper(II) dihydrate","Acta Crystallographica Section E","2005","61","7","m1431","m1432","10.1107/S1600536805019811","","","0.71073","MoKα","","0.091","0.048","","","0.122","0.144","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206247","5.7994","0.0007","9.1494","0.0012","12.8573","0.0015","92.152","0.01","94.282","0.01","90.551","0.01","679.78","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N,N-Bis(2-cyanoethyl)-p-toluenesulfonamide","","- C13 H15 N3 O2 S -","- C13 H15 N3 O2 S -","- C26 H30 N6 O4 S2 -","2","1","NC6032","Yathirajan, Hemmige S.; Anilkumar, Haleyur G.; Lokanatharai, Kuriya M.; Nagaraj, Basavegowda; Bolte, Michael","<i>N</i>,<i>N</i>-Bis(2-cyanoethyl)-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section E","2005","61","7","o1965","o1966","10.1107/S1600536805016041","","","0.71073","MoKα","","0.0388","0.0324","","","0.077","0.08","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206248","6.838","0.003","9.946","0.004","10.087","0.004","105.94","0.05","96.54","0.05","103.44","0.05","629.9","0.5","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","3,4-Dihydroxy-9H-xanthen-9-one trihydrate","","- C13 H14 O7 -","- C13 H14 O7 -","- C26 H28 O14 -","2","1","NC6035","Gales, Luis; Sousa, Maria E.; Pinto, Madalena M. M.; Damas, Ana M.","3,4-Dihydroxy-9<i>H</i>-xanthen-9-one trihydrate","Acta Crystallographica Section E","2005","61","7","o2213","o2215","10.1107/S1600536805018994","","","0.71069","MoKα","","0.0755","0.0499","","","0.1284","0.1514","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206249","7.4402","0.0005","12.4849","0.0009","8.4844","0.0006","90","","104.524","0.0001","90","","762.93","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[2-(hydroxymethyl)pyridine-κ^2^N,O]dinitratocopper(II)","","- C12 H14 Cu N4 O8 -","- C12 H14 Cu N4 O8 -","- C24 H28 Cu2 N8 O16 -","2","0.5","NG6149","Feng He; Di Liu","Bis[2-(hydroxymethyl)pyridine-κ^2^<i>N</i>,<i>O</i>]dinitratocopper(II)","Acta Crystallographica Section E","2005","61","7","m1350","m1351","10.1107/S1600536805018696","","","0.71073","MoKα","","0.0263","0.0248","","","0.0752","0.0763","","","","","","1.05","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2206250","5.47","0.001","16.618","0.003","17.322","0.003","90","","90","","90","","1574.6","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[o-Phenylenebis(salicylideneaminato)]copper(II)","","- C20 H14 Cu N2 O2 -","- C20 H14 Cu N2 O2 -","- C80 H56 Cu4 N8 O8 -","4","1","NG6151","Yang, Yu-Min","[<i>o</i>-Phenylenebis(salicylideneaminato)]copper(II)","Acta Crystallographica Section E","2005","61","7","m1425","m1426","10.1107/S1600536805019975","","","0.71073","MoKα","","0.1299","0.0756","","","0.1446","0.1711","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2206251","14.789","0.006","12.853","0.005","10.688","0.004","90","","92.549","0.006","90","","2029.6","1.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthrapinacol","9,9'-Bi-10H-anthracene-9,9'-diol","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","1","OB6506","Liu, Jian-Cheng; Jin, Shuo; Liu, Bo; Guo, Jian-Ping","9,9'-Bi-10<i>H</i>-anthracene-9,9'-diol","Acta Crystallographica Section E","2005","61","7","o2035","o2037","10.1107/S1600536805014005","","","0.71073","MoKα","","0.1095","0.0621","","","0.108","0.1213","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206252","14.532","0.002","9.7074","0.0013","14.823","0.002","90","","96.167","0.002","90","","2078.9","0.5","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(2-Methylpropane-1,2-diamine-κ^2^N,N')[tris(2-aminoehtttyl)amine- κ^4^N,N',N'',N''')nickel(II) diperchlorate","","- C10 H30 Cl2 N6 Ni O8 -","- C10 H30 Cl2 N6 Ni O8 -","- C40 H120 Cl8 N24 Ni4 O32 -","4","1","OB6524","Yung-Chan Lin; Tian-Huey Lu; Chang-Yao Li; Fen-Ling Liao; Chung-Sun Chung","(2-Methylpropane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) diperchlorate","Acta Crystallographica Section E","2005","61","7","m1398","m1400","10.1107/S160053680501932X","","","0.71073","MoKα","","0.0483","0.0392","","","0.108","0.1158","","","","","","0.914","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206253","12.7001","0.0014","32.015","0.005","7.3041","0.0019","90","","90","","90","","2969.8","1","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium 3-nitrohydrogenphthalate dihydrate","2,3-dimethoxystrychnidinium-10-one 2-carboxy-6-nitrophthalate dihydrate","","- C31 H35 N3 O12 -","- C31 H35 N3 O12 -","- C124 H140 N12 O48 -","4","1","OB6527","Graham Smith; Urs D. Wermuth; David J. Young; Peter C. Healy","Brucinium 2-carboxy-6-nitrophthalate dihydrate: the 1:1 proton-transfer compound of brucine with 3-nitrophthalic acid","Acta Crystallographica Section E","2005","61","7","o2008","o2011","10.1107/S1600536805017149","","","0.71069","MoKα","","0.0935","0.065","","","0.1626","0.1794","","","","","","1.169","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206254","8.355","0.001","9.75","0.001","12.202","0.002","99.292","0.003","96.912","0.003","97.103","0.003","963.4","0.2","289","2","289","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2,8-diamino-4,10-bis(3-nitrophenyl)naphtha[1,2-b;6,5-b']dipyran- 3,9-dicarboxylate dimethylformamide disolvate","","- C40 H42 N6 O12 -","- C40 H42 N6 O12 -","- C40 H42 N6 O12 -","1","0.5","OB6529","Yu-Cheng Wang; Xiang-Shan Wang; Zhao-Sen Zeng; Da-Qing Shi","Diethyl 2,8-diamino-4,10-bis(3-nitrophenyl)naphtho[1,2-<i>b</i>;6,5-<i>b</i>']dipyran-3,9-dicarboxylate dimethylformamide disolvate","Acta Crystallographica Section E","2005","61","7","o2027","o2029","10.1107/S1600536805017113","","","0.71073","MoKα","","0.0955","0.0707","","","0.2198","0.2415","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206255","11.5861","0.0005","13.7665","0.0007","16.8391","0.0008","90","","90","","90","","2685.8","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5R,6R,7R,9R,13R,14S)-21-Cyclopropylmethyl-6,14-endo-ethano- 2',3',4',5',7,8-hexahydro-4',4',5',5'-tetramethylfurano- [2',3'6,7]normorphide hydrochloride methanol solvate","","- C29 H42 Cl N O4 -","- C29 H42 Cl N O4 -","- C116 H168 Cl4 N4 O16 -","4","1","OB6533","Čejka, Jan; Kratochvíl, Bohumil; Chudík, Miloslav; Jegorov, Alexandr","(5<i>R</i>,6<i>R</i>,7<i>R</i>,9<i>R</i>,13<i>R</i>,14<i>S</i>)-21-Cyclopropylmethyl-6,14-<i>endo</i>-ethano-2',3',4',5',7,8-hexahydro-4',4',5',5'-tetramethylfurano[2',3'6,7]normorphide hydrochloride methanol solvate","Acta Crystallographica Section E","2005","61","7","o2274","o2276","10.1107/S1600536805019410","","","1.5418","CuKα","","0.0461","0.0412","","0.0524","0.0491","0.0491","","","","","","1.0818","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206256","13.689","0.0004","8.2386","0.0002","16.7066","0.0005","90","","92.9198","0.0009","90","","1881.69","0.09","296","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Methylphenylsulfonyl)-1,3-diphenylprop-2-en-1-one","","- C22 H18 O3 S -","- C22 H18 O3 S -","- C88 H72 O12 S4 -","4","1","OB6534","Jian-Ming Gu; Xiu-Rong Hu; Wei-Ming Xu","2-(4-Methylphenylsulfonyl)-1,3-diphenylprop-2-en-1-one","Acta Crystallographica Section E","2005","61","7","o2183","o2184","10.1107/S1600536805018684","","","0.7107","MoKα","","","0.045","","","","0.141","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206257","11.3701","0.0005","19.4632","0.0008","17.7735","0.0007","90","","103.338","0.001","90","","3827.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine)chloro(4'-tolyl-2,2':6',2""-terpyridine)iridium(III) bis(hexafluorophosphate) acetonitrile disolvate","","- C36 H31 Cl F12 Ir N7 P2 -","- C36 H31 Cl F12 Ir N7 P2 -","- C144 H124 Cl4 F48 Ir4 N28 P8 -","4","1","OB6535","Yutaka, Tomona; Obara, Shinya; Haga, Masa-aki; Yokoyama, Yoshimi; Sakai, Ken","(2,2'-Bipyridine)chloro(4'-tolyl-2,2':6',2''-terpyridine)iridium(III) bis(hexafluorophosphate) acetonitrile disolvate","Acta Crystallographica Section E","2005","61","7","m1357","m1359","10.1107/S1600536805018702","","","0.71073","MoKα","","0.0202","0.0177","","","0.0438","0.0449","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206258","11.9675","0.0015","11.066","0.002","32.7891","0.0014","90","","90","","90","","4342.3","1","290","2","290","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(3RS,4RS)-3-(2-Furyl)-2-phenetyl-4-(pyrrolidin-1-ylcarbonyl)-3,4- dihydroisoquinolin-1(2H)-one","(3RS,4RS)-3-(2-Furyl)-2-phenetyl-4-(pyrrolidin-1-ylcarbonyl)-3,4- dihydroisoquinolin-1(2H)-one","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C208 H208 N16 O24 -","8","2","OB6537","Rosica Petrova; Boris Shivachev; Krasimir Kosev; Malinka Stoyanova; Silvia Angelova","(3<i>RS</i>,4<i>RS</i>)-3-(2-Furyl)-2-phenethyl-4-(pyrrolidin-1-ylcarbonyl)-3,4-dihydroisoquinolin-1(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","7","o2248","o2250","10.1107/S1600536805019239","","","0.71073","MoKα","","0.1428","0.0551","","","0.1026","0.1287","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206259","12.6213","0.0018","11.2582","0.0016","14.291","0.002","90","","109.869","0.003","90","","1909.8","0.5","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaquatetraimidazolecobalt(II) dibromide","","- C12 H20 Br2 Co N8 O2 -","- C12 H20 Br2 Co N8 O2 -","- C48 H80 Br8 Co4 N32 O8 -","4","0.5","OM6244","Zhang, Hui; Fang, Liang; Yuan, Runzhang","Diaquatetraimidazolecobalt(II) dibromide","Acta Crystallographica Section E","2005","61","7","m1389","m1390","10.1107/S1600536805018611","","","0.71073","MoKα","","0.0252","0.0209","","","0.0487","0.05","","","","","","1.085","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206260","5.8988","0.001","7.935","0.002","13.903","0.004","97.762","0.01","91.487","0.01","106.146","0.015","618","0.3","105","","105","","","","","","","","","4","P -1","-P 1","2","2,2'-Bis-(3,5-dimethylphenyltellura)azobenzene","(μ-Diazenediyldiphenyl-κ^2^C^2^,N^2^:κ^2^C^2'^,N^1^)bis(3,5- dimethylphenyl)ditellurium(II)","","- C28 H26 N2 Te2 -","- C28 H26 N2 Te2 -","- C28 H26 N2 Te2 -","1","0.5","OM6247","Prabodhika Mallikaratchy; Richard E. Norman; Frank R. Fronczek; Thomas Junk","(μ-Diazenediyldiphenyl-κ^2^<i>C</i>^2^,<i>N</i>^2^:κ^2^<i>C</i>^2'^,<i>N</i>^1^)bis[(3,5-dimethylphenyl)tellurium(II)]","Acta Crystallographica Section E","2005","61","7","m1370","m1372","10.1107/S1600536805018659","","","0.71073","MoKα","","0.032","0.026","","","0.059","0.062","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206261","9.663","0.002","7.128","0.002","9.922","0.002","90","","98.42","0.03","90","","676","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[zinc(II)-μ-[2-(2-carboxylatophenyliminomethyl)phenolato- 1κ^3^O,N,O':1'κO''] methanol solvate]","","- C15 H13 N O4 Zn -","- C15 H13 N O4 Zn -","- C30 H26 N2 O8 Zn2 -","2","1","OM6248","Ju, Wen-Zheng; Shi, Lei; Xue, Jia-Yu","<i>catena</i>-Poly[[zinc(II)-μ-[2-(2-carboxylatophenyliminomethyl)phenolato-1κ^3^<i>O</i>,<i>N</i>,<i>O</i>':1'κ<i>O</i>'']] methanol solvate]","Acta Crystallographica Section E","2005","61","7","m1427","m1428","10.1107/S1600536805019823","","","0.71073","MoKα","","0.0317","0.0309","","","0.0856","0.0861","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206262","8.532","0.004","5.782","0.002","14.05","0.006","90","","102.784","0.007","90","","675.9","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-3-[4-(Benzyloxy)phenyl]-2-hydroxypropanoic acid","","- C16 H16 O4 -","- C16 H16 O4 -","- C32 H32 O8 -","2","1","RN6049","Wang, He-Qing; Zeng, Qing-Le; Fang, Hua; Huang, Rong-Bin; Zhao, Yu-Fen","(<i>S</i>)-3-[4-(Benzyloxy)phenyl]-2-hydroxypropanoic acid","Acta Crystallographica Section E","2005","61","7","o2286","o2287","10.1107/S1600536805019100","","","0.71073","MoKα","","0.0727","0.0698","","","0.2","0.2038","","","","","","0.863","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206263","7.3871","0.0007","13.8981","0.0016","9.8971","0.0012","90","","108.441","0.008","90","","963.93","0.19","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(3-pyridylmethyl)benzene-1,4-dicarboxamide dihydrate","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C40 H44 N8 O8 -","2","0.5","RN6050","Ge, Chun-Hua; Kou, Hui-Zhong; Wang, Ru-Ji; Jiang, Yun-Bo; Cui, Ai-Li","<i>N</i>,<i>N</i>'-Bis(3-pyridylmethyl)benzene-1,4-dicarboxamide dihydrate","Acta Crystallographica Section E","2005","61","7","o2024","o2026","10.1107/S1600536805017046","","","0.71073","MoKα","","0.0655","0.0392","","","0.0993","0.1291","","","","","","1.092","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206264","8.9163","0.0012","9.5613","0.0013","12.0628","0.0017","102.881","0.003","90.646","0.003","109.411","0.003","941.4","0.2","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)phenyl]- 3-methoxyacrylate","","- C19 H20 N4 O3 S -","- C19 H20 N4 O3 S -","- C38 H40 N8 O6 S2 -","2","1","RN6051","De-You Teng; Feng-Qin Ji; Wei Huang","Methyl 2-[2-(5,7-dimethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-2-ylsulfanylmethyl)phenyl]-3-methoxyacrylate","Acta Crystallographica Section E","2005","61","7","o1992","o1993","10.1107/S1600536805016703","","","0.71073","MoKα","","0.0887","0.0603","","","0.1566","0.1891","","","","","","1.105","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206265","9.814","0.003","5.9232","0.0017","9.701","0.003","90","","112.07","0.004","90","","522.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Butyramide","Butyramide","","- C4 H9 N O -","- C4 H9 N O -","- C16 H36 N4 O4 -","4","1","RN6052","Thomas C. Lewis; Derek A. Tocher","A low-temperature determination of butyramide","Acta Crystallographica Section E","2005","61","7","o1985","o1986","10.1107/S1600536805017022","","","0.71073","MoKα","","0.0533","0.041","","","0.1044","0.1112","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206266","11.5254","0.0014","14.5357","0.0018","15.769","0.002","90","","90","","90","","2641.8","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6α-Hydroxy-12-oleanen-3-one","","- C30 H48 O2 -","- C30 H48 O2 -","- C120 H192 O8 -","4","1","RZ6077","Kui-Wu Wang; Cui-Rong Sun; Xiao-Ji Cao; Yuan-Jiang Pan","6α-Hydroxy-12-oleanen-3-one: a triterpenoid from the stalks of <i>Celastrus hypoleucus</i>","Acta Crystallographica Section E","2005","61","7","o2022","o2023","10.1107/S1600536805017216","","","0.71073","MoKα","","0.047","0.0372","","","0.1011","0.1069","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206267","11.5212","0.0018","7.9018","0.0012","30.551","0.005","90","","90","","90","","2781.3","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-[(1,5-dimethylpyrazol-4-yl)carbonylhydrazino]butyrate","","- C12 H18 N4 O3 -","- C12 H18 N4 O3 -","- C96 H144 N32 O24 -","8","1","RZ6079","Li-Rong Wen; Zi-Qin Ke; Bo Qu; Ming Li","Ethyl 3-[(1,5-dimethylpyrazol-4-yl)carbonylhydrazino]butyrate","Acta Crystallographica Section E","2005","61","7","o2018","o2019","10.1107/S160053680501679X","","","0.71073","MoKα","","0.0718","0.0513","","","0.1447","0.1556","","","","","","0.992","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206268","15.054","0.007","6.538","0.003","36.23","0.015","90","","95.8","0.006","90","","3548","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N-Salicylaldehyde-p-nitrobenzoylhydrazonato-κ^3^O,N,O') (morpholine-κN)copper(II)","","- C18 H18 Cu N4 O5 -","- C18 H18 Cu N4 O5 -","- C144 H144 Cu8 N32 O40 -","8","1","RZ6081","Yuan, Li-Hui; Wu, Qiong-Jie; Liu, Shi-Xiong","(Morpholine-κ<i>N</i>)(salicylaldehyde 4-nitrobenzoylhydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2005","61","7","m1310","m1312","10.1107/S1600536805017642","","","0.71073","MoKα","","0.0923","0.0537","","","0.109","0.1198","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206269","11.629","0.003","9.927","0.002","14.019","0.003","90","","106.897","0.004","90","","1548.5","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)-3-methyl-5-(2-pyridyl)-4H-1,2,4-triazole dihydrate","","- C15 H18 N4 O3 -","- C15 H18 N4 O3 -","- C60 H72 N16 O12 -","4","1","RZ6085","Zuo-Xiang Wang; Yan Lan; Lu-Tong Yuan; Chun-Yi Liu","4-(4-Methoxyphenyl)-3-methyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole dihydrate","Acta Crystallographica Section E","2005","61","7","o2033","o2034","10.1107/S1600536805017137","","","0.71073","MoKα","","0.0657","0.0482","","","0.1113","0.1148","","","","","","0.968","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206270","10.4672","0.0002","11.2549","0.0002","17.1109","0.0004","92.235","0.0012","106.562","0.001","94.86","0.0012","1921","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","5,10,15,20-Tetrakis(4-pyridyl)porphyrin triacetic acid clathrate","","- C46 H38 N8 O6 -","- C46 H38 N8 O6 -","- C92 H76 N16 O12 -","2","1","RZ6086","Sumod George; Israel Goldberg","5,10,15,20-Tetrakis(4-pyridyl)porphyrin tris(acetic acid) clathrate","Acta Crystallographica Section E","2005","61","7","o1973","o1975","10.1107/S1600536805016867","","","0.71073","MoKα","","0.0657","0.0473","","","0.1204","0.1338","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206271","11.4533","0.0014","12.9875","0.0015","6.259","0.0007","90","","99.191","0.002","90","","919.07","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-trans-trans-Dibromobis(4-fluoroaniline)bis(acetonitrile)nickel(II)","","- C16 H18 Br2 F2 N4 Ni -","- C16 H18 Br2 F2 N4 Ni -","- C32 H36 Br4 F4 N8 Ni2 -","2","0.5","RZ6087","John Fawcett; Fabrizio Sicilia; Gregory A Solan","<i>trans</i>,<i>trans</i>,<i>trans</i>-Diacetonitriledibromobis(4-fluoroaniline)nickel(II)","Acta Crystallographica Section E","2005","61","7","m1256","m1257","10.1107/S1600536805016995","","","0.71073","MoKα","","0.0294","0.027","","","0.068","0.0689","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206272","9.1778","0.0018","14.768","0.003","7.6109","0.0015","90","","90","","90","","1031.6","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Trans-1,2-bis(4-pyridyl)ethylene monohydrate","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","RZ6088","Huang, Wei; Qian, Hui-Fen","<i>trans</i>-1,2-Bis(4-pyridyl)ethylene monohydrate","Acta Crystallographica Section E","2005","61","7","o2050","o2052","10.1107/S1600536805017666","","","0.71073","MoKα","","0.0367","0.0362","","","0.0894","0.0895","","","","","","1.168","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206273","9.414","0.002","11.041","0.002","12.347","0.002","105.83","0.03","103.87","0.03","107.4","0.03","1103.7","0.6","290","2","290","2","","","","","","","","7","P -1","-P 1","2","","9-(2,6-Dibromophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","","- C22 H14 Br2 F3 N O5 S -","- C22 H14 Br2 F3 N O5 S -","- C44 H28 Br4 F6 N2 O10 S2 -","2","1","RZ6089","Artur Sikorski; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski","9-(2,6-Dibromophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","Acta Crystallographica Section E","2005","61","7","o2131","o2133","10.1107/S1600536805017952","","","0.71073","MoKα","","0.147","0.0461","","","0.1008","0.1227","","","","","","0.94","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206274","26.088","0.004","37.204","0.006","6.5952","0.0011","90","","90","","90","","6401.2","1.8","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(Z)-1-(2,5-dichlorophenyl)-2-(3-phenylthiazolidin-2-ylidene)ethanone","","- C17 H13 Cl2 N O S -","- C17 H13 Cl2 N O S -","- C272 H208 Cl32 N16 O16 S16 -","16","1","RZ6091","Xu, Liang-Zhong; Yu, Guan-Ping; Zhang, Pu-Yong; Li, Chun-Li","(<i>Z</i>)-1-(2,5-Dichlorophenyl)-2-(3-phenylthiazolidin-2-ylidene)ethanone","Acta Crystallographica Section E","2005","61","7","o2104","o2105","10.1107/S1600536805017964","","","0.71073","MoKα","","0.0832","0.0402","","","0.0764","0.0915","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206275","28.455","0.006","13.737","0.003","19.396","0.004","90","","115.46","0.03","90","","6845","3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","di-μ~2~-chloro-bis[bis(triphenylphosphito)copper(I)]","","- C72 H60 Cl2 Cu2 O12 P4 -","- C72 H60 Cl2 Cu2 O12 P4 -","- C288 H240 Cl8 Cu8 O48 P16 -","4","0.5","RZ6092","Fang-Fang Jian; Ke-Fei Wang; Hai-Lian Xiao; Yuan-Biao Qiao","A dinuclear chloro(triphenylphosphito)copper(I) complex, di-μ~2~-chloro-bis[bis(triphenylphosphito)copper(I)]","Acta Crystallographica Section E","2005","61","7","m1324","m1325","10.1107/S1600536805018325","","","0.71073","MoKα","","0.093","0.0519","","","0.1238","0.1459","","","","","","1.066","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206276","11.67","0.002","13.466","0.003","14.792","0.003","94.77","0.03","90.82","0.03","96.26","0.03","2302","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tris(5,5'-dimethyl-2,2'-bipyridyl-κ^2^N,N')iron(II) bis(perchlorate) 5,5'-dimethyl-2,2'-bipyridyl solvate","","- C48 H48 Cl2 Fe N8 O8 -","- C48 H48 Cl2 Fe N8 O8 -","- C96 H96 Cl4 Fe2 N16 O16 -","2","1","RZ6093","Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","Tris(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(perchlorate) 5,5'-dimethyl-2,2'-bipyridyl solvate","Acta Crystallographica Section E","2005","61","7","m1411","m1412","10.1107/S1600536805019574","","","0.71073","MoKα","","0.1311","0.0778","","","0.2036","0.238","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206277","10.3988","0.0009","8.7056","0.0008","17.5354","0.0016","90","","102.184","0.002","90","","1551.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Ethoxyphenyl)-6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole","","- C17 H14 N4 O S -","- C17 H14 N4 O S -","- C68 H56 N16 O4 S4 -","4","1","RZ6094","Xiao-Bo Huang; Miao-Chang Liu; Li-Xue Zhang; An-Jiang Zhang; Ya-li Xu; Miao-lin Hu","3-(2-Ethoxyphenyl)-6-phenyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2005","61","7","o2233","o2234","10.1107/S160053680501901X","","","0.71073","MoKα","","0.053","0.0453","","","0.1113","0.1162","","","","","","1.042","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206278","8.1173","0.0013","9.8449","0.0015","13.6802","0.0017","90","","122.944","0.007","90","","917.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N^1^,N^4^-bis(pyridin-4-ylmethyl)terephthalamide dihydrate","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C40 H44 N8 O8 -","2","0.5","SG6010","Zhang, Hong-Tao; You, Xiao-Zeng","<i>N</i>,<i>N</i>'-Bis(pyridin-4-ylmethyl)terephthalamide dihydrate: a self-interpenetrating hydrogen-bonding network","Acta Crystallographica Section E","2005","61","7","o2055","o2057","10.1107/S1600536805017563","","","0.71073","MoKα","","0.0907","0.0497","","","0.1019","0.113","","","","","","0.908","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206279","11.795","0.002","16.976","0.002","8.7656","0.0014","90","","99.764","0.003","90","","1729.7","0.5","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[(4-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenylpyrazolidin- 3-one","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C76 H76 N12 O12 -","4","1","SG6011","Chun-Hua Diao; Zhi Fan; Ming Yu; Xin Chen; Zuo-Liang Jing; Qi-Liang Deng","4-[(4-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenylpyrazolidin-3-one","Acta Crystallographica Section E","2005","61","7","o2322","o2323","10.1107/S1600536805019938","","","0.71073","MoKα","","0.0393","0.0306","","","0.08","0.0831","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206280","21.883","0.002","8.7246","0.0006","7.2407","0.0006","90","","90","","90","","1382.4","0.2","273","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","7-Amino-3-(3-aminophenyl)-1H-quinazoline-2,4-dithione","","- C14 H12 N4 S2 -","- C14 H12 N4 S2 -","- C56 H48 N16 S8 -","4","1","SG6012","Yu, Yun; Yang, Kai-Bin; Lin, Li-Rong; Huang, Rong-Bin; Zheng, Lan-Sun","7-Amino-3-(3-aminophenyl)-1<i>H</i>-quinazoline-2,4-dithione","Acta Crystallographica Section E","2005","61","7","o2310","o2311","10.1107/S1600536805019926","","","0.71073","MoKα","","0.0925","0.0662","","","0.1501","0.1644","","","","","","0.991","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206281","20.6025","0.0004","12.4769","0.0002","29.709","0.0006","90","","90","","90","","7636.9","0.2","173","2","173","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C37 H41 Cl Fe N2 Ni O2 P2 S3 -","- C37 H41 Cl Fe N2 Ni O2 P2 S3 -","- C296 H328 Cl8 Fe8 N16 Ni8 O16 P16 S24 -","8","2","SG6013","Duff, S. E.; Hitchcock, P. B.; Davies, S. C.; Barclay, J. E.; Evans, D. J.","1,3-Bis(diphenylphosphino)propane-2κ^2^<i>P</i>,<i>P</i>'-dicarbonyl-1κ^2^<i>C</i>-chloro-2κ<i>Cl</i>-{μ-2,2',2''-nitrilotriethanethiolato(3‒)-1κ^4^<i>N</i>,<i>S</i>,<i>S</i>',<i>S</i>'':2κ^2^<i>S</i>,<i>S</i>'}iron(II)nickel(II) acetonitrile solvate","Acta Crystallographica Section E","2005","61","7","m1316","m1319","10.1107/S1600536805018088","","","0.71073","MoKα","","0.066","0.0522","","","0.1006","0.1069","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","194481","2020-10-21","18:00:00",""
"2206282","9.5123","0.0012","9.2752","0.0011","24.424","0.003","90","","95.967","0.002","90","","2143.2","0.5","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1'-tert-Butyl-2'-(2,2-dimethyl-4-oxochroman-6-carbonyl)benzohydrazide","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C92 H104 N8 O16 -","4","1","SG6014","Pei-Liang Zhao; Wei Huang; Guang-Fu Yang","1'-<i>tert</i>-Butyl-2'-(2,2-dimethyl-4-oxochroman-6-carbonyl)benzohydrazide","Acta Crystallographica Section E","2005","61","7","o2139","o2141","10.1107/S1600536805018398","","","0.71073","MoKα","","0.0954","0.0558","","","0.1212","0.138","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206283","11.9182","0.0005","16.5293","0.0007","21.1391","0.0009","90","","90","","90","","4164.4","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-Poly[[tri-μ~2~-benzoato-dizinc(II)]-μ~2~-hydroxy]","","- C21 H16 O7 Zn2 -","- C21 H16 O7 Zn2 -","- C168 H128 O56 Zn16 -","8","1","SG6015","Yang, Shi-Yao; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","<i>catena</i>-Poly[[tri-μ~2~-benzoato-dizinc(II)]-μ~2~-hydroxy]","Acta Crystallographica Section E","2005","61","7","m1340","m1342","10.1107/S1600536805018404","","","0.71073","MoKα","","0.069","0.051","","","0.119","0.129","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206284","7.752","0.002","9.238","0.003","9.304","0.003","104.062","0.005","107.942","0.005","95.651","0.005","603.9","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","3-[(4,5-Dibromo-1-methyl-1H-pyrrole-2-carbonyl)amino]propanoic acid","","- C9 H10 Br2 N2 O3 -","- C9 H10 Br2 N2 O3 -","- C18 H20 Br4 N4 O6 -","2","1","SG6016","Yu-Xia Li; Po-Run Liu; Xiang-Chao Zeng; Shi-Hai Xu; Fen-Ni Liu","3-[(4,5-Dibromo-1-methyl-1<i>H</i>-pyrrole-2-carbonyl)amino]propanoic acid","Acta Crystallographica Section E","2005","61","7","o2150","o2151","10.1107/S1600536805018416","","","0.71073","MoKα","","0.0495","0.0345","","","0.0774","0.0852","","","","","","1.022","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206285","7.4688","0.0015","9.6157","0.0019","39.192","0.008","90","","90","","90","","2814.7","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25R)-spirost-5-en-3-ol dimethyl sulfoxide solvate","","- C29 H48 O4 S -","- C29 H48 O4 S -","- C116 H192 O16 S4 -","4","1","SG6018","Xiufeng Zhang; Yan Cui; Lanfen Wang; Shiwei Zhang; Baozhen Yan; Yang Liu","(25<i>R</i>)-Spirost-5-en-3-ol dimethyl sulfoxide solvate","Acta Crystallographica Section E","2005","61","7","o2324","o2325","10.1107/S1600536805019884","","","0.71073","MoKα","","0.1408","0.0626","","","0.1546","0.1989","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206286","9.2771","0.0005","16.0667","0.0009","14.5453","0.0008","90","","97.034","0.001","90","","2151.7","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(diisopropylamino)(9-fluorenyl)(tert-butylamino)borane","(tert-butylamino)(diisopropylamino)(9-fluorenyl)borane","","- C23 H33 B N2 -","- C23 H33 B N2 -","- C92 H132 B4 N8 -","4","1","SG6020","Braunschweig, Holger; Breitling, Frank Michael; Seeler, Fabian","<i>rac</i>-(<i>tert</i>-Butylamino)(diisopropylamino)(9-fluorenyl)borane","Acta Crystallographica Section E","2005","61","7","o2303","o2304","10.1107/S1600536805019902","","","0.71073","MoKα","","0.0624","0.0543","","","0.1186","0.123","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206287","12.3616","0.0012","12.3616","0.0012","11.1685","0.0011","90","","90","","90","","1706.6","0.3","173","1","173","1","","","","","","","","4","P 41","P 4w","76","","(2S,3R,4R,5R)-2-(tert-Butyldimethylsilyloxymethyl)-2,4,5- trimethyltetrahydrofuran-3,4-diol","","- C14 H30 O4 Si -","- C14 H30 O4 Si -","- C56 H120 O16 Si4 -","4","1","SJ6091","Fan, Hong-Tao; Schürmann, Markus; Preut, Hans; Krause, Norbert","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-2-(<i>tert</i>-Butyldimethylsilyloxymethyl)-2,4,5-trimethyltetrahydrofuran-3,4-diol","Acta Crystallographica Section E","2005","61","7","o1987","o1988","10.1107/S1600536805016831","","","0.71073","MoKα","","0.0839","0.0671","","","0.1781","0.1816","","","","","","1.146","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206288","28.869","0.007","3.76","0.001","15.403","0.006","90","","118.04","0.03","90","","1475.7","0.9","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(3,5-Dichloro-2-pyridyl)formamide","","- C6 H4 Cl2 N2 O -","- C6 H4 Cl2 N2 O -","- C48 H32 Cl16 N16 O8 -","8","1","SJ6093","Resinger, Ales; Wentrup, Curt; Karl A. Byriel; Colin H. L. Kennard","<i>N</i>-(3,5-Dichloro-2-pyridyl)formamide","Acta Crystallographica Section E","2005","61","7","o2053","o2054","10.1107/S1600536805017605","","","0.71073","MoKα","","0.0814","0.041","","","0.1054","0.1295","","","","","","0.872","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206289","5.1656","0.001","7.9102","0.0016","17.669","0.003","83.721","0.015","82.709","0.015","75.683","0.015","691.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-2-[(2-nitro-phenyl)-hydrazono]-3-oxo-butyric acid ethyl ester","","- C12 H12 Cl N3 O5 -","- C12 H12 Cl N3 O5 -","- C24 H24 Cl2 N6 O10 -","2","1","SJ6095","Odabas̨oǧlu, Mustafa; Özdamar, Özgür; Büyükgüngör, Orhan","Ethyl 4-chloro-2-[(2-nitrophenyl)hydrazono]-3-oxobutyrate","Acta Crystallographica Section E","2005","61","7","o2065","o2067","10.1107/S1600536805017617","","","0.71073","MoKα","","0.103","0.061","","","0.172","0.19","","","","","","1.03","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2206290","9.0131","0.0008","9.4161","0.0009","9.8932","0.0009","62.458","0.007","66.52","0.007","86.438","0.007","675.08","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-2-[(4-nitrophenyl)hydrazono]-3-oxo-butyric acid ethyl ester","","- C12 H12 Cl N3 O5 -","- C12 H12 Cl N3 O5 -","- C24 H24 Cl2 N6 O10 -","2","1","SJ6096","Odabaşoğlu, Mustafa; Özdamar, Özgür; Büyükgüngör, Orhan","Ethyl 4-chloro-2-[(4-nitrophenyl)hydrazono]-3-oxobutyrate","Acta Crystallographica Section E","2005","61","7","o2068","o2070","10.1107/S1600536805017629","","","0.71073","MoKα","","0.038","0.032","","","0.08","0.083","","","","","","1.04","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2206291","22.383","0.0017","7.4043","0.0006","23.3675","0.0018","90","","112.224","0.001","90","","3585","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3'-(Quinoxaline-2,3-diyldimethylene)bis(pentane-2,4-dione)","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C160 H176 N16 O32 -","8","1","SJ6097","Liliana Dobrzańska; Gareth O. Lloyd","3,3'-(Quinoxaline-2,3-diyldimethylene)bis(pentane-2,4-dione)","Acta Crystallographica Section E","2005","61","7","o2114","o2116","10.1107/S1600536805018131","","","0.71073","MoKα","","0.0561","0.0443","","","0.11","0.1165","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206292","8.09","0.002","9.576","0.002","11.456","0.003","85.739","0.004","81.378","0.004","79.82","0.005","862.6","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","Bis(2,4'-bipyridin-1'-ium) 2,5-dicarboxybenzene-1,4-carboxylate benzene-1,2,4,5-tetracarboxylic acid","","- C40 H28 N4 O16 -","- C40 H28 N4 O16 -","- C40 H28 N4 O16 -","1","0.5","SJ6098","Shu-Xin Cui; Jing-Ping Zhang; Lei Wang; Yu-Long Zhao","Bis(2,4'-bipyridin-1'-ium) 2,5-dicarboxybenzene-1,4-carboxylate benzene-1,2,4,5-tetracarboxylic acid","Acta Crystallographica Section E","2005","61","7","o2193","o2195","10.1107/S1600536805018593","","","0.71073","MoKα","","0.0933","0.0498","","","0.0998","0.1155","","","","","","0.875","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206293","9.651","0.003","10.584","0.003","10.681","0.003","82.24","0.02","84.87","0.02","68.06","0.02","1001.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","bis[trans-(μ~2~-pentafluoroanilino-κ^2^N:N)]bis[dimethylaluminium(III)]","","- C16 H14 Al2 F10 N2 -","- C16 H14 Al2 F10 N2 -","- C32 H28 Al4 F20 N4 -","2","1","SJ6099","Niemeyer, Mark; Hoffmann, Michael","A dimeric aluminium amide, bis(<i>trans</i>-μ~2~-pentafluoroanilino-κ^2^<i>N</i>:<i>N</i>)bis[dimethylaluminium(III)]","Acta Crystallographica Section E","2005","61","7","m1334","m1336","10.1107/S1600536805017915","","","0.71073","MoKα","","0.04","0.037","","","0.105","0.107","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206294","17.608","0.003","17.608","0.003","17.224","0.003","90","","90","","90","","5340.2","1.6","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[4-Bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]manganese(III) nitrate","","- C26 H20 Br2 Mn N5 O5 -","- C26 H20 Br2 Mn N5 O5 -","- C208 H160 Br16 Mn8 N40 O40 -","8","1","SJ6100","Wang, Nong","Bis[4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]manganese(III) nitrate","Acta Crystallographica Section E","2005","61","7","m1304","m1306","10.1107/S1600536805017757","","","0.71073","MoKα","","0.0873","0.0463","","","0.1045","0.1252","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206295","14.8348","0.0012","11.1902","0.0009","16.0909","0.0013","90","","112.479","0.001","90","","2468.2","0.3","293","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2,2''-dioxo-2,3,5,6,7,7a-hexahydroacenaphthene- 1-spiro-3'-1'H-pyrrolizine-2'spiro-1''-acenaphthene-1-carboxylate","","- C32 H25 N O4 -","- C32 H25 N O4 -","- C128 H100 N4 O16 -","4","1","SJ6101","G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; R. Rathna Durga; R. Raghunathan","Ethyl 2,2''-dioxo-2',3',5',6',7',7a'-hexahydroacenaphthene-1-spiro-3'-1'<i>H</i>-pyrrolizine-2'spiro-1''-acenaphthene-1-carboxylate","Acta Crystallographica Section E","2005","61","7","o2267","o2269","10.1107/S1600536805019276","","","0.71073","Mo-Kα","","0.0817","0.061","","","0.1615","0.1775","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206296","11.775","0.002","7.0646","0.0014","24.362","0.005","90","","94.777","0.004","90","","2019.5","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(1-Benzylpiperidin-4-yl)-N'-(4-methoxybenzoyl)thiourea","","- C21 H25 N3 O2 S -","- C21 H25 N3 O2 S -","- C84 H100 N12 O8 S4 -","4","1","SJ6102","Yusof, Sukeri M.; Yamin, Bohari M.","<i>N</i>-(1-Benzylpiperidin-4-yl)-<i>N</i>'-(4-methoxybenzoyl)thiourea","Acta Crystallographica Section E","2005","61","7","o2265","o2266","10.1107/S1600536805019434","","","0.71073","MoKα","","0.091","0.068","","","0.125","0.133","","","","","","1.18","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206297","13.938","0.004","10.414","0.003","19.311","0.004","90","","131.108","0.013","90","","2112","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2-Diphenylphosphanylbenzylidene)-4-methylphenylamine","","- C26 H22 N P -","- C26 H22 N P -","- C104 H88 N4 P4 -","4","1","SJ6103","Shamsuddin, Mustaffa; Nur, Abdul Malik M.; Yamin, Bohari M.","<i>N</i>-[2-(Diphenylphosphanyl)benzylidene]-4-methylaniline","Acta Crystallographica Section E","2005","61","7","o2263","o2264","10.1107/S1600536805019422","","","0.71073","MoKα","","0.098","0.067","","","0.13","0.14","","","","","","1.19","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206298","9.9969","0.0006","16.5736","0.001","14.6322","0.0009","90","","109.248","0.001","90","","2288.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[copper(I)-di-μ-trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene- κ^2^N^2^:N^4^;κ^2^N^4^:N^2^] tetrafluoroborate]","","- C24 H20 B Cu F4 N4 -","- C24 H20 B Cu F4 N4 -","- C96 H80 B4 Cu4 F16 N16 -","4","1","SJ6104","Kai-Long Zhong; Wen-Jie Lu","<i>catena</i>-Poly[[copper(I)-di-μ-<i>trans</i>-1-(2-pyridyl)-2-(4-pyridyl)ethylene-κ^2^<i>N</i>^2^:<i>N</i>^4^;κ^2^<i>N</i>^4^:<i>N</i>^2^] tetrafluoroborate]","Acta Crystallographica Section E","2005","61","7","m1416","m1418","10.1107/S1600536805019501","","","0.71073","Mo-Kα","","0.0883","0.0459","","","0.0993","0.1105","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206299","8.4629","0.0013","8.753","0.0013","9.5926","0.0014","110.489","0.002","94.886","0.002","108.3","0.002","616.57","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,2,3,4-Tetraphenylbutane-1,4-dione benzene solvate","","- C34 H28 O2 -","- C34 H28 O2 -","- C34 H28 O2 -","1","0.5","SJ6105","Amit Jhawar; Ilia A. Guzei; Vitaliy I. Timokhin; Robert West","1,2,3,4-Tetraphenylbutane-1,4-dione benzene solvate and a brief analysis of the solvated organic structures in the Cambridge Structural Database","Acta Crystallographica Section E","2005","61","7","o2291","o2293","10.1107/S1600536805019513","","","0.71073","Mo-Kα","","0.0687","0.0537","","","0.1277","0.1385","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206300","12.6529","0.001","12.6529","0.001","12.6529","0.001","90","","90","","90","","2025.7","0.3","173","2","173","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Tetrakis(trimethylsilyl)methane","","- C13 H36 Si4 -","- C13 H36 Si4 -","- C52 H144 Si16 -","4","0.333333","SJ6109","Lerner, Hans-Wolfram; Bolte, Michael","Tetrakis(trimethylsilyl)methane","Acta Crystallographica Section E","2005","61","7","o2326","o2327","10.1107/S1600536805020015","","","0.71073","Mo-Kα","","0.096","0.094","","","0.2311","0.2373","","","","","","1.181","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206301","9.8153","0.0016","10.4218","0.0017","10.5894","0.0017","110.538","0.002","93.864","0.002","97.819","0.002","997.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","4(4'-Hydroxy-3'-methoxystyryl)-1-methylpyridinium 4-chlorobenzenesulfonate","4(4'-Hydroxy-3'-methoxystyryl)-1-methylpyridinium 4-chlorobenzenesulfonate","","- C21 H20 Cl N O5 S -","- C21 H20 Cl N O5 S -","- C42 H40 Cl2 N2 O10 S2 -","2","1","SU6202","Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun; Shazia Anjum; Chatchanok Karalai","4-(4'-Hydroxy-3'-methoxystyryl)-1-methylpyridinium 4-chlorobenzenesulfonate","Acta Crystallographica Section E","2005","61","7","o2096","o2098","10.1107/S1600536805017769","","","0.71073","MoKα","","0.0491","0.0451","","","0.1213","0.1257","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206302","4.0743","0.0007","11.154","0.002","14.778","0.004","90","","94.651","0.017","90","","669.4","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6-dihydrothieno[2,3-d][1,3]dithiol-2-one","","- C5 H4 O S3 -","- C5 H4 O S3 -","- C20 H16 O4 S12 -","4","1","SU6203","Santos, Isabel C.; Belo, Dulce; Mendonça, Joana; Figueira, Mauro João; Almeida, Manuel; Rovira, Concepcion","5,6-Dihydrothieno[2,3-<i>d</i>][1,3]dithiol-2-one","Acta Crystallographica Section E","2005","61","7","o2161","o2163","10.1107/S1600536805018234","","","0.71073","MoKα","","0.0555","0.0394","","","0.093","0.0992","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206303","17.1422","0.0012","6.9643","0.0003","18.2627","0.0013","90","","106.961","0.005","90","","2085.4","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzyl-3-[2-(1-piperidinio)ethyl]benzimidazolium dichloride monohydrate","","- C21 H29 Cl2 N3 O -","- C21 H29 Cl2 N3 O -","- C84 H116 Cl8 N12 O4 -","4","1","SU6204","Selvi Karaca; Mehmet Akkurt; Ülkü Yılmaz; Hasan Küçükbay; Orhan Büyükgüngör","1-Benzyl-3-[2-(1-piperidinio)ethyl]benzimidazolium dichloride monohydrate","Acta Crystallographica Section E","2005","61","7","o2128","o2130","10.1107/S1600536805018337","","","0.71073","MoKα","","0.0386","0.0305","","","0.0755","0.0783","","","","","","1.037","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206304","7.621","0.0004","10.4049","0.0006","13.155","0.0008","68.003","0.001","85.642","0.001","78.651","0.001","948.28","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[[tetraaquacopper(II)]-μ-4,4'-bipyridine-κ^2^N:N'] 4-sulfonatobenzoate]","","- C17 H20 Cu N2 O9 S -","- C17 H20 Cu N2 O9 S -","- C34 H40 Cu2 N4 O18 S2 -","2","1","TK6226","Zhang, Li-Ping; Zhu, Long-Guan","<i>catena</i>-Poly[[[tetraaquacopper(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-sulfonatobenzoate]","Acta Crystallographica Section E","2005","61","7","m1264","m1265","10.1107/S1600536805017125","","","0.71073","MoKα","","0.034","0.031","","","0.081","0.083","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206305","7.27","0.002","11.927","0.004","18.528","0.006","90","","98.24","0.005","90","","1590","0.9","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-tert-Butyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 4-chlorobenzoate","","- C15 H14 Cl F3 N2 O2 -","- C15 H14 Cl F3 N2 O2 -","- C60 H56 Cl4 F12 N8 O8 -","4","1","TK6227","Li, Yang; Li, Jiang-Sheng; Huang, Peng-Mian; Duan, Xue-Ming; Dong, Chuan-Ming; Zeng, Tao","1-<i>tert</i>-Butyl-3-(trifluoromethyl)-1<i>H</i>-pyrazol-5-yl 4-chlorobenzoate","Acta Crystallographica Section E","2005","61","7","o2189","o2190","10.1107/S1600536805018477","","","0.71073","MoKα","","0.093","0.038","","","0.076","0.096","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206306","8.0521","0.0001","9.711","0.0001","35.8868","0.0004","90","","90","","90","","2806.13","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(p-Tolyl)-β-L-rhamnopyranosylamine 1.5-hydrate","","- C13 H22 N O5.5 -","- C13 H22 N O5.5 -","- C104 H176 N8 O44 -","8","2","TK6228","Punzo, Francesco; Watkin, David J.; Cook, Joseph M. D.; Hotchkiss, David; Fleet, George W. J.","<i>N</i>-(<i>p</i>-Tolyl)-β-<small>L</small>-rhamnopyranosylamine 1.5-hydrate","Acta Crystallographica Section E","2005","61","7","o2155","o2157","10.1107/S1600536805018489","","","0.71073","MoKα","","0.041","0.036","","0.096","0.093","0.096","","","","","","0.946","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206307","11.1653","0.0014","13.3535","0.0017","7.738","0.001","90","","107.082","0.002","90","","1102.8","0.2","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,3-bis(benzo[1,3]dioxole-5-carbonyl)but-2-enedioate","","- C24 H20 O10 -","- C24 H20 O10 -","- C48 H40 O20 -","2","0.5","TK6229","Wang, Zhi-Guo; Chen, Ai-Hua; Yin, Guo-Dong; Wu, An-Xin","Diethyl 2,3-bis(benzo[1,3]dioxole-5-carbonyl)but-2-enedioate","Acta Crystallographica Section E","2005","61","7","o2320","o2321","10.1107/S1600536805020003","","","0.71073","MoKα","","0.065","0.054","","","0.139","0.147","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206308","7.4467","0.0016","6.1343","0.0011","22.72","0.003","90","","92.508","0.019","90","","1036.9","0.3","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4-(2-Naphthyl)pyrimidine","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","TK6230","Ingebrigtsen, Truls; Lejon, Tore; Hansen, Lars Kr.","4-(2-Naphthyl)pyrimidine","Acta Crystallographica Section E","2005","61","7","o2256","o2257","10.1107/S1600536805019306","","","0.71069","MoKα","","0.187","0.04","","","0.071","0.097","","","","","","0.82","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206309","9.801","0.003","15.549","0.004","26.142","0.007","90","","90","","90","","3983.9","1.9","273","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]benzonitrile","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C192 H152 N24 O16 -","8","1","WK6050","Xu-Feng Liu; Zeng-Pei Zhong; Zun-Le Xu","4-[4,5-Bis(4-methoxyphenyl)-1<i>H</i>-imidazol-2-yl]benzonitrile","Acta Crystallographica Section E","2005","61","7","o1976","o1977","10.1107/S1600536805016946","","","0.71073","MoKα","","","0.0541","","","","0.1296","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206310","9.206","0.003","8.282","0.003","11.347","0.003","90","","123.255","0.017","90","","723.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(4-pyridylformyl)piperazine","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C32 H32 N8 O4 -","2","0.5","WK6051","Cai-Feng Ding; Mei Zhu; Xue-Mei Li; Shu-Sheng Zhang; Hong Xu; Ping-Kai Ouyang","<i>N</i>,<i>N</i>'-Bis(4-pyridylformyl)piperazine","Acta Crystallographica Section E","2005","61","7","o1981","o1982","10.1107/S1600536805016958","","","0.71073","MoKα","","0.048","0.0442","","","0.1133","0.1173","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206311","5.5771","0.0001","14.6164","0.0003","19.2112","0.0004","90","","90","","90","","1566.04","0.05","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-O-Benzoyl-1,2-O-isopropylidene-β-D-fructopyranose","","- C16 H20 O7 -","- C16 H20 O7 -","- C64 H80 O28 -","4","1","WK6054","Langer, Vratislav; Mičová, Ju̇lia; Steiner, Bohumil; Koóš, Miroslav","3-<i>O</i>-Benzoyl-1,2-<i>O</i>-isopropylidene-β-<small>D</small>-fructopyranose","Acta Crystallographica Section E","2005","61","7","o2172","o2174","10.1107/S1600536805018520","","","0.71073","MoKα","","0.0642","0.0413","","","0.0881","0.1026","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206312","34.33","0.003","7.038","0.0003","6.1666","0.0003","90","","91.377","0.006","90","","1489.51","0.16","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Ammonium magnesium phosphite 18-hydrate","Diammonium trimagnesium tetrakis[hydrogenphosphate(III)] octadecahydrate","","- H48 Mg3 N2 O30 P4 -","- H48 Mg3 N2 O30 P4 -","- H96 Mg6 N4 O60 P8 -","2","0.25","WM6070","Messouri, Ibtissam; El Bali, Brahim; Capitelli, Francesco; Piniella, Juan F.; Lachkar, Mohammed; Slimani, Zineb","Diammonium tris[hexaaquamagnesium(II)] tetrakis[hydrogenphosphate(III)], (NH~4~)~2~[Mg(H~2~O)~6~]~3~(HPO~3~)~4~","Acta Crystallographica Section E","2005","61","7","i129","i131","10.1107/S160053680501723X","","","0.71073","MoKα","","0.0242","0.0221","","","0.0627","0.0637","","","","","","1.108","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206313","4.9916","0.0009","6.2388","0.0011","37.342","0.007","90","","90","","90","","1162.9","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(N-Phenylazo)aminobenzaldehyde","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C52 H44 N12 O4 -","4","1","WN6356","Liu, Xin-Gang; Feng, Ya-Qing; Liu, Dong-Qing; Zhao, Yao","4-[(Phenyldiazenyl)amino]benzaldehyde","Acta Crystallographica Section E","2005","61","7","o2185","o2186","10.1107/S1600536805018751","","","0.71073","MoKα","","0.07","0.0373","","","","0.0939","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206314","9.9258","0.0011","20.089","0.002","11.8605","0.0013","90","","111.324","0.002","90","","2203.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","xanthone V1","5,9,10-Trihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)-2H,6H- pyrano[3,2-b]xanthen-6-one methanol solvate","","- C24 H26 O7 -","- C24 H26 O7 -","- C96 H104 O28 -","4","1","WN6357","Suchada Chantrapromma; Nawong Boonnak; Hoong-Kun Fun; Shazia Anjum; Atta-ur-Rahman; Chatchanok Karalai","5,9,10-Trihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)-2<i>H</i>,6<i>H</i>-pyrano[3,2-<i>b</i>]xanthen-6-one methanol solvate","Acta Crystallographica Section E","2005","61","7","o2136","o2138","10.1107/S1600536805018192","","","0.71073","MoKα","","0.0953","0.0868","","","0.2245","0.2298","","","","","","1.107","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206315","9.069","0.002","6.136","0.001","32.537","0.007","90","","96.87","0.03","90","","1797.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-amino-4-(3-fluorophenyl)-4H-benzo[h]chromene-3-carboxylate","","- C22 H18 F N O3 -","- C22 H18 F N O3 -","- C88 H72 F4 N4 O12 -","4","1","WN6358","Guo, Cheng; Gu, Xi-Feng; Zhang, Lian-Di; Li, Yan","Ethyl 2-amino-4-(3-fluorophenyl)-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2005","61","7","o2125","o2127","10.1107/S1600536805018283","","","0.71073","MoKα","","0.1867","0.0837","","","0.2261","0.2894","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206316","11.183","0.0009","13.9851","0.001","12.3419","0.0009","90","","116.445","0.001","90","","1728.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-[3-(4-Chlorophenyl)-4-oxothiazolidin-2-yl]-6-methyl-4H-benzopyran-4-one","","- C19 H14 Cl N O3 S -","- C19 H14 Cl N O3 S -","- C76 H56 Cl4 N4 O12 S4 -","4","1","WW6378","Zhou, Zhong-Zhen; Huang, Wei; Zhao, Pei-Liang; Chen, Qiong; Yang, Guang-Fu","3-[3-(4-Chlorophenyl)-4-oxothiazolidin-2-yl]-6-methyl-4<i>H</i>-benzopyran-4-one","Acta Crystallographica Section E","2005","61","7","o2261","o2262","10.1107/S1600536805019355","","","0.71073","MoKα","","0.0551","0.0443","","","0.1252","0.1344","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206317","13.962","0.001","6.009","0.001","8.877","0.001","90","","90","","90","","744.76","0.16","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Diaquadithiocyanatocopper(II)","","- C2 H4 Cu N2 O2 S2 -","- C2 H4 Cu N2 O2 S2 -","- C8 H16 Cu4 N8 O8 S8 -","4","0.5","WW6382","Wu, Tao; Ma, Ming-Zhi; Zhou, Rui; Li, Dan; Ng, Seik Weng","Diaquadithiocyanatocopper(II)","Acta Crystallographica Section E","2005","61","7","m1401","m1402","10.1107/S1600536805019215","","","0.71073","MoKα","","0.033","0.032","","","0.085","0.086","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206318","8.2474","0.0016","8.4577","0.0017","10.488","0.002","70.05","0.03","76.83","0.03","62.73","0.03","609","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(3-hydroxypyridine-κN)(nitrato-κ^2^O,O')silver(I)","","- C10 H10 Ag N3 O5 -","- C10 H10 Ag N3 O5 -","- C20 H20 Ag2 N6 O10 -","2","1","WW6388","Lu, Zhen-Zhong; Huo, Li-Hua; Gao, Shan; Zhao, Hui; Zhao, Jing-Gui","Bis(3-hydroxypyridine-κ<i>N</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","Acta Crystallographica Section E","2005","61","7","m1386","m1388","10.1107/S1600536805019240","","","0.71073","MoKα","","0.0302","0.0261","","","0.0645","0.0784","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206319","6.101","0.001","8.598","0.002","11.479","0.002","94.88","0.03","98.56","0.03","92.42","0.03","592.4","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","2,5-dibenzoyl-terephthalic acid","2,5-Dibenzoylterephthalic acid ethanol disolvate","","- C26 H26 O8 -","- C26 H26 O8 -","- C26 H26 O8 -","1","0.5","WW6389","Zhu, Hong-jun; Wang, Dan-Dan; Song, Guang-Liang; Wang, Jin-Tang; Lu, Wei-Wei; Yu, Rong","2,5-Dibenzoylterephthalic acid ethanol disolvate","Acta Crystallographica Section E","2005","61","7","o2237","o2238","10.1107/S1600536805019173","","","0.71073","MoKα","","0.0895","0.0548","","","0.1494","0.17","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206320","11.1332","0.0002","10.0822","0.0003","17.4142","0.0004","90","","104.058","0.001","90","","1896.15","0.08","106","2","106","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","butyltriphenylphosphonium bromide","Butyltriphenylphosphonium bromide","","- C22 H24 Br P -","- C22 H24 Br P -","- C88 H96 Br4 P4 -","4","1","WW6397","Czerwinski, Edmund W.","Butyltriphenylphosphonium bromide","Acta Crystallographica Section E","2005","61","7","o2272","o2273","10.1107/S160053680501929X","","","1.5418","CuKα","","0.0386","0.0339","","","","0.0948","","","","","","1.139","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206321","23.081","0.004","4.5554","0.0008","13.069","0.002","90","","108.741","0.002","90","","1301.3","0.4","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Chloro-4,6-di-morpholino-1,3,5-triazine","","- C11 H16 Cl N5 O2 -","- C11 H16 Cl N5 O2 -","- C44 H64 Cl4 N20 O8 -","4","1","WW6398","Zeng, Tao; Dong, Chuan-Ming; Shu, Xue-Gui; Li, Jiang-Sheng; Huang, Peng-Mian","2-Chloro-4,6-dimorpholino-1,3,5-triazine","Acta Crystallographica Section E","2005","61","7","o2211","o2212","10.1107/S1600536805019021","","","0.71073","MoKα","","0.0288","0.0262","","","0.0646","0.0664","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206322","7.655","0.0007","9.0221","0.0008","22.927","0.002","90","","92.811","0.002","90","","1581.5","0.2","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2,4-Dichlorophenoxy)-N-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acetamide","","- C15 H10 Cl2 N4 O2 S -","- C15 H10 Cl2 N4 O2 S -","- C60 H40 Cl8 N16 O8 S4 -","4","1","WW6406","Song, Xin-Jian; Shi, Bo-An; Wang, Yan-Gang; Liu, Hong-Xia; Wang, Yan","2-(2,4-Dichlorophenoxy)-<i>N</i>-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acetamide","Acta Crystallographica Section E","2005","61","7","o2254","o2255","10.1107/S1600536805019343","","","0.71073","MoKα","","0.0503","0.0419","","","0.1076","0.1216","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206323","8.1827","0.0006","7.0914","0.0005","13.1674","0.0009","90","","101.154","0.001","90","","749.63","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ethylenediammonium hexaaquazinc(II) sulfate","Ethane-1,2-diaminium hexaaquazinc(II) sulfate","","- C2 H22 N2 O14 S2 Zn -","- C2 H22 N2 O14 S2 Zn -","- C4 H44 N4 O28 S4 Zn2 -","2","0.5","XU6014","Apinpus, Rujiwatra; Jumras, Limtrakul","Ethane-1,2-diaminium hexaaquazinc(II) sulfate","Acta Crystallographica Section E","2005","61","7","m1403","m1404","10.1107/S1600536805019604","","","0.71073","MoKα","","0.024","0.024","","","0.064","0.064","","","","","","1.139","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206324","16.5457","0.0009","16.7931","0.0009","22.4135","0.0012","90","","90","","90","","6227.7","0.6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Tris{2-[(1-methylimidazol-2-yl)methylimino]ethyl}amine)iron(II) diperchlorate acetonitrile solvate","","- C23 H33 Cl2 Fe N11 O8 -","- C23 H33 Cl2 Fe N11 O8 -","- C184 H264 Cl16 Fe8 N88 O64 -","8","1","XU6015","Chen, Hong-Mei; Yang, Shi-Ping; Chen, Qiong-Qiong; Chen, Jia-Min; Yu, Xi-Bin","(Tris{2-[(1-methylimidazol-2-yl)methylimino]ethyl}amine)iron(II) diperchlorate acetonitrile solvate","Acta Crystallographica Section E","2005","61","7","m1277","m1279","10.1107/S1600536805017083","","","0.71073","MoKα","","0.078","0.053","","","0.15","0.163","","","","","","0.989","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206325","13.161","0.003","11.905","0.003","25.144","0.007","90","","98.794","0.004","90","","3893.3","1.7","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dichloro[bis(bis(benzimidazol-2-ylmethyl)-amine)] manganese(II) methanol trisolvate","","- C35 H42 Cl2 Mn N10 O3 -","- C35 H42 Cl2 Mn N10 O3 -","- C140 H168 Cl8 Mn4 N40 O12 -","4","1","XU6017","Zhou, Qing-Hua; Yang, Pin","Bis[bis(benzimidazol-2-ylmethyl)amine]-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'';κ^2^<i>N</i>,<i>N</i>'-chloromanganese(II) chloride methanol trisolvate","Acta Crystallographica Section E","2005","61","7","m1292","m1294","10.1107/S1600536805017678","","","0.71073","MoKα","","0.097","0.049","","","0.066","0.071","","","","","","0.925","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206326","6.9505","0.0007","7.6096","0.0007","15.225","0.0015","95.985","0.002","96.095","0.002","93.712","0.002","794","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 F2 N6 O2 S -","- C14 H12 F2 N6 O2 S -","- C28 H24 F4 N12 O4 S2 -","2","1","YA6246","Hu, Xiao-Wei; Chen, Qiong; Liu, Zu-Ming; Yang, Guang-Fu","The herbicide flumetsulam as the acetonitrile solvate","Acta Crystallographica Section E","2005","61","7","o2083","o2085","10.1107/S1600536805017745","","","0.71073","MoKα","","0.048","0.044","","","0.121","0.134","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206327","22.0779","0.0017","11.0552","0.0009","18.9962","0.0015","90","","90","","90","","4636.5","0.6","292","2","292","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1,3:4,6-Bis(1,4-diphenylethynyl-2,3-xylylene)tetrahydro-3a,6a- bis(ethoxycarbonyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione","","- C58 H42 N4 O6 -","- C58 H42 N4 O6 -","- C232 H168 N16 O24 -","4","0.5","YA6247","Neng-Fang She; Hui-Zhen Guo; An-Xin Wu","1,3:4,6-Bis(1,4-diphenylethynyl-2,3-xylylene)tetrahydro-3a,6a-bis(ethoxycarbonyl)imidazo[4,5-<i>d</i>]imidazole-2,5(1<i>H</i>,3H)-dione, a molecular clip based on di(ethoxycarbonyl)glycoluril","Acta Crystallographica Section E","2005","61","7","o2003","o2004","10.1107/S1600536805017162","","","0.71073","MoKα","","0.101","0.062","","","0.155","0.174","","","","","","1.05","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206328","25.824","0.013","13.962","0.003","15.861","0.004","90","","124.93","0.04","90","","4689","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dipropyl 3,6-bis(4-chlorophenyl)-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate","","- C22 H22 Cl2 N4 O4 -","- C22 H22 Cl2 N4 O4 -","- C176 H176 Cl16 N32 O32 -","8","1","YA6249","Guo-Wu Rao; Wei-Xiao Hu","Dipropyl 3,6-bis(4-chlorophenyl)-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate","Acta Crystallographica Section E","2005","61","7","o2102","o2103","10.1107/S1600536805017101","","","0.71073","MoKα","","0.076","0.041","","","0.115","0.134","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206329","8.6588","0.0004","12.3368","0.0007","15.4441","0.0009","90","","90","","90","","1649.77","0.15","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-O-acetylcodeine","6α-Acetoxy-4,5α-epoxy-3-methoxy-17-methyl-morphin-7-ene","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","AC6177","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","6α-Acetoxy-4,5α-epoxy-3-methoxy-17-methylmorphin-7-ene","Acta Crystallographica Section E","2005","61","8","o2579","o2581","10.1107/S1600536805022130","","","0.71073","MoKα","","0.0962","0.0475","","","0.0943","0.1125","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206330","11.7235","0.0009","18.378","0.0013","14.1604","0.001","90","","109.903","0.001","90","","2868.7","0.4","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dibenzyl-8b,8c-diphenyl-2,3a,4a,6,7a,8a- hexaazaperhydrocyclopenta[def]fluorene-4,8-dione","","- C34 H32 N6 O2 -","- C34 H32 N6 O2 -","- C136 H128 N24 O8 -","4","1","AC6178","Li, Yi-Tao; Long, Tao; Wu, An-Xin","2,6-Dibenzyl-8b,8c-diphenyl-2,3a,4a,6,7a,8a-hexaazaperhydrocyclopenta[<i>def</i>]fluorene-4,8-dione","Acta Crystallographica Section E","2005","61","8","o2374","o2375","10.1107/S1600536805020659","","","0.71073","MoKα","","0.1037","0.0626","","","0.1321","0.1513","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206331","9.192","0.004","6.996","0.004","10.869","0.005","90","","93.6","0.04","90","","697.6","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aminopyridinium nitrate","","- C5 H7 N3 O3 -","- C5 H7 N3 O3 -","- C20 H28 N12 O12 -","4","1","AC6179","Rademeyer, Melanie","4-Aminopyridinium nitrate","Acta Crystallographica Section E","2005","61","8","o2496","o2498","10.1107/S1600536805020660","","","0.71073","MoKα","","0.086","0.0477","","","0.1019","0.1158","","","","","","0.943","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206332","8.628","0.002","12.727","0.002","15.4842","0.0019","90","","90","","90","","1700.3","0.5","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-O-acetylcodeine","6α-acetoxy-4,5α-epoxy-3-methoxy-17-methyl-morphin-7-ene","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","AC6180","Tsonko Kolev; Rumyana Bakalska; Boris Shivachev; Rosica Petrova","6-<i>O</i>-Acetylcodeine","Acta Crystallographica Section E","2005","61","8","o2582","o2584","10.1107/S1600536805022129","","","0.71073","MoKα","","0.1107","0.0489","","","0.1056","0.1264","","","","","","0.978","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206333","17.861","0.011","13.386","0.006","20.451","0.013","90","","91.744","0.005","90","","4887","5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-Bis{[(2Z)-2-(3-mesityl-3-methylcyclobutyl)-2-one thiosemicarbazono]ethyl} piperazine dimethylsulfoxide disolvate","","- C42 H68 N8 O2 S4 -","- C42 H68 N8 O2 S4 -","- C168 H272 N32 O8 S16 -","4","1","AT6012","Çiğdem Yüksektepe; Serkan Soylu; Hanife Saraçoğlu; Nezihe Çalışkan; Alaaddin Çukurovalı; Íbrahim Yılmaz; Cavit Kazaz","1,4-Bis[(<i>Z</i>)-2-(3-mesityl-3-methylcyclobutyl)-2-(thiosemicarbazono)ethyl]piperazine dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2005","61","8","o2384","o2386","10.1107/S1600536805020350","","","0.71069","MoKα","","0.117","0.058","","","0.148","0.174","","","","","","0.94","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206334","7.8929","0.0008","29.415","0.004","12.4679","0.0014","90","","90","","90","","2894.7","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2,3,5-Trimethylphenoxy)phthalonitrile","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C136 H112 N16 O8 -","8","1","AT6019","Akbal, Tufan; Akdemir, Nesuhi; Ağar, Erbil; Kantar, Cihan; Erdönmez, Ahmet","4-(2,3,5-Trimethylphenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","8","o2630","o2631","10.1107/S1600536805022592","","","0.71073","MoKα","","0.082","0.036","","","0.089","0.1","","","","","","0.8","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206335","14.2841","0.0014","8.3753","0.0005","22.353","0.002","90","","90","","90","","2674.2","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-(2-Bromo-4-chlorophenoxy)phthalonitrile","","- C14 H6 Br Cl N2 O -","- C14 H6 Br Cl N2 O -","- C112 H48 Br8 Cl8 N16 O8 -","8","1","AT6020","Atalay, Şehriman; Ocak Ískeleli, Nazan; Ağar, Erbil; Akdemir, Nesuhi","4-(2-Bromo-4-chlorophenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","8","o2654","o2655","10.1107/S1600536805021057","","","0.71073","MoKα","","0.112","0.057","","","0.123","0.144","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206336","14.929","0.005","8.2223","0.0016","18.737","0.006","90","","90","","90","","2300","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)ethoxy] ether","","- C20 H22 N8 O2 S2 -","- C20 H22 N8 O2 S2 -","- C80 H88 N32 O8 S8 -","4","0.5","AT6021","Wei Wang; Bing Zhao; Peng-Wu Zheng; Xue-Min Duan","Bis[2-(1-phenyl-1<i>H</i>-tetrazol-5-ylsulfanyl)ethoxy] ether","Acta Crystallographica Section E","2005","61","8","o2623","o2624","10.1107/S160053680502249X","","","0.71073","MoKα","","0.091","0.044","","","1.101","0.128","","","","","","1.01","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206337","8.2381","0.0014","12.269","0.002","12.937","0.002","90","","105.075","0.003","90","","1262.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-Nitrophenyl)-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane- 4-carboxamide","","- C11 H11 N2 O7 P -","- C11 H11 N2 O7 P -","- C44 H44 N8 O28 P4 -","4","1","AT6025","Zang, Hong-Jun; Guo, Ming-Lin","<i>N</i>-(2-Nitrophenyl)-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxamide","Acta Crystallographica Section E","2005","61","8","o2772","o2774","10.1107/S1600536805023974","","","0.71073","MoKα","","0.065","0.041","","","0.099","0.115","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206338","9.1471","0.0011","12.1267","0.0014","17.475","0.002","90","","94.516","0.002","90","","1932.4","0.4","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Caesium bis[N-(carbamoylmethyl)iminodiacetato]chromium(III) dihydrate","","- C12 H20 Cr Cs N4 O12 -","- C12 H20 Cr Cs N4 O12 -","- C48 H80 Cr4 Cs4 N16 O48 -","4","1","BD6007","Visser, Hendrik G.; Purcell, Walter; Cloete, Nicoline; Muller, Alfred","Caesium bis[<i>N</i>-(carbamoylmethyl)iminodiacetato]chromate(III) dihydrate","Acta Crystallographica Section E","2005","61","8","m1668","m1670","10.1107/S160053680502101X","","","0.71073","MoKα","","","0.0317","","","","0.0803","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206339","9.3999","0.0018","20.274","0.004","9.7668","0.0019","90","","111.764","0.003","90","","1728.6","0.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(Acetylamido)-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene- 3-carboxamide","","- C17 H17 Cl N2 O2 S -","- C17 H17 Cl N2 O2 S -","- C68 H68 Cl4 N8 O8 S4 -","4","1","BH6009","Chandrakumar, K.; Kokila, M. K.; Puttaraja; Mohan, S.; Manjunath Shetty, K. S.","2-(Acetylamido)-<i>N</i>-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","Acta Crystallographica Section E","2005","61","8","o2444","o2446","10.1107/S1600536805020970","","","0.71073","MoKα","","0.0731","0.0552","","","0.129","0.138","","","","","","1.088","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206340","4.7347","0.0001","32.651","0.0007","9.3959","0.0002","90","","109.031","0.0009","90","","1373.15","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzyl N-[1-(furan-2-yl)ethylidene]hydrazinecarbodithioate","","- C14 H14 N2 O S2 -","- C14 H14 N2 O S2 -","- C56 H56 N8 O4 S8 -","4","1","BH6010","Khoo, Teng-Jin; Cowley, Andrew R.; Watkin, David J.; Crouse, Karen A.; Tarafder, M. T. H.","Benzyl <i>N</i>-[1-(furan-2-yl)ethylidene]hydrazinecarbodithioate","Acta Crystallographica Section E","2005","61","8","o2441","o2443","10.1107/S1600536805020969","","","0.71073","MoKα","","0.0666","0.0393","","0.0571","0.0467","0.0467","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2206341","10.092","0.002","10.521","0.002","14.699","0.003","90","","90.43","0.03","90","","1560.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","α-Diphenylphosphoryl-o-cresol","2-[(diphenylphosphoryl)methyl]phenol","","- C19 H17 O2 P -","- C19 H17 O2 P -","- C76 H68 O8 P4 -","4","1","BH6014","Yulya V. Nelubina; Diana V. Alexanyan; Vladimir A. Kozlov; Konstantin A. Lyssenko; Irina L. Odinets","A monoclinic polymorph of α-diphenylphosphoryl-<i>o</i>-cresol","Acta Crystallographica Section E","2005","61","8","o2539","o2541","10.1107/S1600536805021811","","","0.71073","MoKα","","0.0693","0.0403","","","0.1063","0.1194","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206342","4.442","0.0009","12.953","0.003","12.677","0.003","90","","95.62","0.03","90","","725.9","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","BH6015","Perpétuo, Genivaldo Julio; Janczak, Jan","Piperazinium nitrate","Acta Crystallographica Section E","2005","61","8","o2531","o2533","10.1107/S1600536805021951","","","0.71073","MoKα","","0.1085","0.0426","","","0.0911","0.1077","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206343","9.9262","0.0008","22.549","0.0019","15.89","0.0013","90","","96.43","0.001","90","","3534.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3,5-Dinitrobenzoato)tris(2-methyl-2-phenylpropyl)tin(IV)","","- C37 H42 N2 O6 Sn -","- C37 H42 N2 O6 Sn -","- C148 H168 N8 O24 Sn4 -","4","1","BH6016","Tian, Lai-Jin; Yu, Feng-Yang; Sun, Yu-Xi; Zhang, Bo","(3,5-Dinitrobenzoato)tris(2-methyl-2-phenylpropyl)tin(IV)","Acta Crystallographica Section E","2005","61","8","m1537","m1538","10.1107/S1600536805021458","","","0.71073","MoKα","","0.0525","0.0468","","","0.1008","0.1037","","","","","","1.185","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206344","8.81","0.002","8.81","0.002","8.81","0.002","90","","90","","90","","683.8","0.3","295","","295","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Lanthanum Dimagnesium","","- La Mg2 -","- La Mg2 -","- La8 Mg16 -","8","0.0416667","BR6195","Belgacem, Besma; Yahyaoui, Samia; Demchenko, P. Yu.; Bodak, O. I.; Dusek, Michal; Petricek, Vaclav; Ben Hassen, Rached","Lanthanum dimagnesium","Acta Crystallographica Section E","2005","61","8","i155","i157","10.1107/S1600536805021343","","","0.71069","MoKα","","0.0093","0.0083","","","0.0242","0.0245","","","","","","1.14","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206345","8.5386","0.0006","10.6333","0.0007","11.8912","0.0006","105.636","0.003","101.852","0.003","99.257","0.003","990.39","0.11","273","1","","","","","","","","","","5","P -1","-P 1","2","","poly[penta-μ-aqua-tetraaqua-μ-decavanadato-lithium(I)disodium(I)]","","- H36 Li2 Na4 O46 V10 -","- H36 Li2 Na4 O46 V10 -","- H36 Li2 Na4 O46 V10 -","1","0.5","BR6199","Chun-An Ma; Ai-Li Xie; Lian-Bang Wang","Polymeric bis(lithium disodium nonahydrate) decavanadate, {[LiNa~2~(H~2~O)~9~]~2~[V~10~O~28~]}~<i>n~</i>","Acta Crystallographica Section E","2005","61","8","i185","i187","10.1107/S1600536805023123","","","0.7107","MoKα","","","0.027","","","","0.097","","","","","","1.016","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206346","4.7586","0.001","8.253","0.0017","10.758","0.002","90","","92.845","0.002","90","","421.98","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dipotassium iron(III) {hydrogen bis[hydrogenphosphate(V)]} difluoride","","- F2 Fe H3 K2 O8 P2 -","- F2 Fe H3 K2 O8 P2 -","- F4 Fe2 H6 K4 O16 P4 -","2","0.5","BR6201","Mi, Jin-Xiao; Wang, Cheng-Xin; Wei, Zan-Bin; Chen, Fu-Jin; Xu, Chun-Yan; Mao, Shao-Yu","K~2~Fe[H(HPO~4~)~2~]F~2~","Acta Crystallographica Section E","2005","61","8","i143","i145","10.1107/S1600536805020635","","","0.71073","MoKα","","0.0232","0.0231","","","0.0636","0.0637","","","","","","1.272","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2206347","10.34657","0.00003","10.34657","0.00003","10.34657","0.00003","90","","90","","90","","1107.61","0.003","293","2","293","2","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","sodium cadmium dizinc heptafluoride","","- Cd F7 Na Zn2 -","- Cd F7 Na Zn2 -","- Cd8 F56 Na8 Zn16 -","8","0.0416667","BR6202","Friese, K.; Grzechnik, A.; Morgenroth, W.; Buth, G.; Doyle, S.; Gesland, J.-Y.","Synchrotron study of pyrochlore-related NaCdZn~2~F~7~","Acta Crystallographica, Section E","2005","61","8","i182","i184","10.1107/S160053680502297X","","","0.45","synchrotron","","0.0393","0.0317","","","0.023","0.0393","","","","","","2.3","","","","has coordinates","282068","2023-03-26","10:12:38",""
"2206348","19.6816","0.0015","7.2656","0.0006","12.571","0.0015","90","","117.82","0.01","90","","1589.9","0.3","150","","150","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","Potassium sodium phyllosilicate","","- K1.33 Na0.67 O5 Si2 -","- K1.33333 Na0.666667 O5 Si2 -","- K16 Na8 O60 Si24 -","12","1.5","BR6203","Spek, Anthony L.; Jong, Bernard H. W. S. de","Potassium sodium phyllosilicate, K~1.33~Na~0.67~Si~2~O~5~","Acta Crystallographica Section E","2005","61","8","i188","i190","10.1107/S1600536805022348","","","0.71073","MoKα","","0.0633","0.0427","","","0.1075","0.1179","","","","","","1.091","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:38",""
"2206349","4.4474","0.0008","4.4474","0.0008","10.73","0.004","90","","90","","90","","212.23","0.1","120","2","120","2","","","","","","","Synthetic","2","I 4/m m m","-I 4 2","139","Strontium tetragallide","Strontium tetragallide","","- Ga4 Sr -","- Ga4 Sr -","- Ga8 Sr2 -","2","0.0625","BR6204","Tobash, Paul H.; Yamasaki, Yuki; Bobev, Svilen","Strontium tetragallide","Acta Crystallographica Section E","2005","61","8","i174","i176","10.1107/S1600536805022439","","","0.71073","MoKα","","0.0189","0.017","","","0.0419","0.0424","","","","","","1.026","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2206350","10.9614","0.0012","16.1352","0.0017","22.026","0.002","98.832","0.002","94.633","0.003","103.5","0.002","3715.4","0.7","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis{bis[2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18- triene]potassium(I)} bis(2-thioxo-4,5-dihydro-1,3-dithiole-4,5-dithiolato)zinc(II)","","- C62 H80 K2 O20 S10 Zn -","- C62 H80 K2 O20 S10 Zn -","- C124 H160 K4 O40 S20 Zn2 -","2","1","BR6206","Jie Liu; Jun-Hong Zhang; Da-Qi Wang; Jian-Min Dou","Bis{bis[2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene]potassium(I)} bis(2-thioxo-4,5-dihydro-1,3-dithiole-4,5-dithiolato)zinc(II)","Acta Crystallographica Section E","2005","61","8","m1652","m1654","10.1107/S1600536805023536","","","0.71073","MoKα","","0.153","0.0507","","","0.0543","0.0665","","","","","","0.813","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206351","8.1696","0.0006","12.4578","0.0008","14.8541","0.0009","101.277","0.004","90.134","0.005","96.332","0.005","1473.1","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Ditalimphos","O,O-Diethyl phthalimidophosphonothioate","","- C12 H14 N O4 P S -","- C12 H14 N O4 P S -","- C48 H56 N4 O16 P4 S4 -","4","2","BT6684","Baughman, Russell G.; Paulos, Chrystal M.","<i>O</i>,<i>O</i>-Diethyl phthalimidophosphonothioate (Ditalimphos)","Acta Crystallographica Section E","2005","61","8","o2352","o2353","10.1107/S1600536805019872","","","0.71073","MoKα","","0.0962","0.0635","","","0.1749","0.2003","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206352","14.4439","0.0011","8.6837","0.0006","14.0031","0.001","90","","111.251","0.009","90","","1636.9","0.2","291","0.3","291","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6-nitro-2,3-xylidine","2,3-dimethyl-6-nitroaniline","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C64 H80 N16 O16 -","8","1","BT6688","Kruszynski, Rafal","Stacking and N—H···O interactions in 2,3-dimethyl-6-nitroaniline","Acta Crystallographica Section E","2005","61","8","o2379","o2381","10.1107/S1600536805020684","","","0.71073","MoKα","","0.0639","0.054","","","0.153","0.1634","","","","","","1.167","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206353","12.242","0.006","5.177","0.003","22.376","0.011","90","","105.181","0.007","90","","1368.6","1.2","566","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzyl 5-bromo-4-methylsalicylate","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","BT6689","Ning-Juan Fan; Yi-Bin Wei; Xiao-Hua Pu; Wei Guo","Benzyl 5-bromo-4-methylsalicylate","Acta Crystallographica Section E","2005","61","8","o2393","o2394","10.1107/S1600536805020696","","","0.71073","MoKα","","0.0684","0.0442","","","0.099","0.1062","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206354","9.9316","0.0007","10.2786","0.0005","14.5778","0.001","75.785","0.004","83.778","0.006","85.529","0.006","1432.05","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(oxydi-2,1-phenylen)bis(phenylphosphine) oxide","2-(Diphenylphosphino)phenyl 2-(diphenylphosphinoyl)phenyl ether","","- C36 H28 O2 P2 -","- C36 H28 O2 P2 -","- C72 H56 O4 P4 -","2","1","BT6691","Tooke, Duncan M.; Wilting, Jos; Vogt, Dieter; Spek, Anthony L.","2-(Diphenylphosphino)phenyl 2-(diphenylphosphinoyl)phenyl ether","Acta Crystallographica Section E","2005","61","8","o2406","o2407","10.1107/S1600536805020805","","","0.71073","MoKα","","0.0562","0.0389","","","0.0899","0.0983","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206355","24.139","0.002","8.3588","0.0006","11.8747","0.0012","90","","110.014","0.008","90","","2251.3","0.4","296","","296","","","","","","","","","6","C 1 c 1","C -2yc","9","","O,O-Bis(2-tert-butyl-4-methylphenyl) chlorothiophosphonate","","- C22 H30 Cl O2 P S -","- C22 H30 Cl O2 P S -","- C88 H120 Cl4 O8 P4 S4 -","4","1","BT6693","Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Albayrak, Çiǧdem","<i>O</i>,<i>O</i>-Bis(2-<i>tert</i>-butyl-4-methylphenyl) chlorothiophosphonate","Acta Crystallographica Section E","2005","61","8","o2525","o2527","10.1107/S1600536805021859","","","0.71073","MoKα","","0.0683","0.0354","","","0.0799","0.0904","","","","","","0.86","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206356","23.592","0.003","8.3111","0.0006","12.5067","0.0014","90","","105.74","0.009","90","","2360.3","0.4","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","O,O-Bis(2-tert-butyl-4-methoxyphenyl) chlorothiophosphonate","","- C22 H30 Cl O4 P S -","- C22 H30 Cl O4 P S -","- C88 H120 Cl4 O16 P4 S4 -","4","1","BT6694","Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Albayrak, Çiǧdem","<i>O</i>,<i>O</i>-Bis(2-<i>tert</i>-butyl-4-methoxyphenyl) chlorothiophosphonate","Acta Crystallographica Section E","2005","61","8","o2528","o2530","10.1107/S1600536805021860","","","0.71073","MoKα","","0.0303","0.0267","","","0.0716","0.0735","","","","","","1.115","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206357","10.6925","0.0016","14.875","0.002","17.2342","0.0008","90","","94.742","0.007","90","","2731.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tetra-n-butylammonium (imidazolidine-2-thione-2κS)dioxo-1κ^2^O-di-μ-sulfido-1:2κ^4^S:S- copper(I)tungstate(VI)","","- C19 H42 Cu N3 O2 S3 W -","- C19 H42 Cu N3 O2 S3 W -","- C76 H168 Cu4 N12 O8 S12 W4 -","4","1","BT6695","Beheshti, Azizolla; Clegg, William; Dale, Sophie H.; Solimankhani, Ahmad","N—H···S and N—H···O hydrogen bonding in tetra-<i>n</i>-butylammonium (imidazolidine-2-thione-2κ<i>S</i>)dioxo-1κ^2^<i>O</i>-di-μ-sulfido-1:2κ^4^<i>S</i>:<i>S</i>-copper(I)tungstate(VI)","Acta Crystallographica Section E","2005","61","8","m1509","m1511","10.1107/S1600536805021628","","","0.71073","MoKα","","0.0524","0.0329","","","0.0664","0.0735","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206358","37.007","0.004","7.7558","0.0008","17.214","0.002","90","","105.503","0.002","90","","4761","0.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-hydroxy-1-[2-(2-methyl-4-oxo-3,4,6,7,8,9- hexahydro-2H-pyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine N-oxide","","- C24 H33 F N4 O6 -","- C24 H33 F N4 O6 -","- C192 H264 F8 N32 O48 -","8","1","BT6696","K. Ravikumar; B. Sridhar; S. G. Manjunath; Saji Thomas","Risperidone <i>N</i>-oxide hydrogen peroxide methanol solvate","Acta Crystallographica Section E","2005","61","8","o2515","o2517","10.1107/S1600536805022002","","","0.71073","MoKα","","0.0628","0.054","","","0.1443","0.1564","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206359","12.1813","0.0009","30.862","0.002","7.7875","0.0006","90","","93.4","0.002","90","","2922.5","0.4","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","brucinium toluene-4-sulfonate trihydrate","2,3-dimethoxy-10-oxostrychnidinium toluene-4-sulfonate trihydrate","","- C30 H40 N2 O10 S -","- C30 H40 N2 O10 S -","- C120 H160 N8 O40 S4 -","4","2","BT6697","Graham Smith; Urs D. Wermuth; Peter C. Healy; David J. Young; Jonathan M. White","Brucinium toluene-4-sulfonate trihydrate at 130 K","Acta Crystallographica Section E","2005","61","8","o2646","o2648","10.1107/S1600536805022695","","","0.71073","MoKα","","0.0765","0.0495","","","0.0804","0.0879","","","","","","0.844","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206360","10.3359","0.0001","13.8339","0.0003","16.2254","0.0004","101.153","0.001","90.934","0.001","108.687","0.001","2148.53","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","10-Benzyl-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine- 1,8(2H,5H)-dione","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C100 H124 N4 O8 -","4","2","BT6699","M. Yogavel; D. Velmurugan; P. Murugan; S. Shanmuga Sundara Raj; H.-K. Fun","10-Benzyl-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","8","o2761","o2763","10.1107/S1600536805023500","","","0.71073","MoKα","","0.1164","0.065","","","0.1599","0.1968","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206361","9.969","0.002","13.8855","0.0018","10.2272","0.0017","90","","98.704","0.016","90","","1399.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiocytosinium chloride","","","- C4 H6 Cl N3 S -","- C4 H6 Cl N3 S -","- C32 H48 Cl8 N24 S8 -","8","2","BT6701","Prugovečki, Biserka; Matković-Čalogović, Dubravka; Sanković, Krešimir","2-Thiocytosinium chloride","Acta Crystallographica Section E","2005","61","8","o2706","o2708","10.1107/S1600536805023445","","","0.71073","MoKα","","0.0574","0.037","","","0.099","0.1073","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206362","9.2565","0.001","11.2224","0.0012","12.0629","0.0013","63.164","0.002","87.485","0.002","83.735","0.002","1111.4","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","Olanzapinium nicotinate","1-methyl-4-(2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4- yl)hexahydropyrazin-1-ium nicotinate","","- C23 H25 N5 O2 S -","- C23 H25 N5 O2 S -","- C46 H50 N10 O4 S2 -","2","1","BT6703","K. Ravikumar; G. Y. S. K. Swamy; B. Sridhar; S. Roopa","Olazipinium nicotinate","Acta Crystallographica Section E","2005","61","8","o2720","o2723","10.1107/S160053680502369X","","","0.71073","MoKα","","0.0884","0.0629","","","0.13","0.1407","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206363","10.244","0.005","10.601","0.005","11.404","0.005","64.499","0.005","74.587","0.005","89.556","0.005","1069.5","0.9","296","","296","","","","","","","","","3","P -1","-P 1","2","","1-Benzyl-2-[1-(5-methyl-1H-pyrazol-3-yl)-2-phenylethyl]benzimidazole","","- C26 H24 N4 -","- C26 H24 N4 -","- C52 H48 N8 -","2","1","BT6704","Mehmet Akkurt; Şerife Pınar; Rachid Bouhfid; Ahmed Moussaif; El-Mokhtar Essassi; Orhan Büyükgüngör","1-Benzyl-2-[1-(5-methyl-1<i>H</i>-pyrazol-3-yl)-2-phenylethyl]benzimidazole","Acta Crystallographica, Section E","2005","61","8","o2718","o22719","10.1107/S1600536805023706","","","0.71073","MoKα","","0.0739","0.0461","","","0.1189","0.1303","","","","","","1.034","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2206364","10.1025","0.0006","17.3954","0.0011","20.3856","0.0013","102.267","0.005","103.752","0.005","93.744","0.005","3375","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Lithium‒tetrakis(pentafluorophenyl)borate‒benzene (1/1/2)","","- C36 H12 B F20 Li -","- C35.9995 H12 B F20 Li -","- C143.998 H48 B4 F80 Li4 -","4","2","BV6022","Bolte, Michael; Ruderfer, Ilya; Müller, Thomas","Lithium‒tetrakis(pentafluorophenyl)borate‒benzene (1/1/2)","Acta Crystallographica Section E","2005","61","8","m1581","m1582","10.1107/S1600536805022336","","","0.71073","MoKα","","0.1219","0.0939","","","0.2245","0.2458","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2206365","6.0018","0.0002","8.0384","0.0003","12.4802","0.0003","90","","95.5132","0.0017","90","","599.32","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 O3 -","- C5 H8 O3 -","- C20 H32 O12 -","4","1","CF6428","Shallard-Brown, Howard A.; Watkin, David J.; Cowley, Andrew R.","Methyl acetoacetate at 150 K","Acta Crystallographica Section E","2005","61","8","o2422","o2423","10.1107/S1600536805017654","","","0.71073","MoKα","","0.0417","0.0363","","0.0954","0.0924","0.0954","","","","","","1.0074","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206366","8.8118","0.0018","12.43","0.003","18.031","0.004","90","","97.749","0.002","90","","1956.9","0.8","293.2","0.2","293.2","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-{[(2-alanine methyl ester)amino](phenyl)methylidene} -3-methyl-1-phenylpyrazol-5-one","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C84 H84 N12 O12 -","4","2","CF6431","Zhu, Hualing; Zhang, Xin; Song, Yujing; Xu, Haizhen; Dong, Mei","4-{[1-(Methoxycarbonyl)ethylamino](phenyl)methylidene}-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2005","61","8","o2387","o2388","10.1107/S1600536805020349","","","0.71073","MoKα","","0.091","0.042","","","0.0933","0.1098","","","","","","1.057","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206367","17.572","0.003","9.588","0.005","30.126","0.003","90","","96.6","0.02","90","","5042","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrasodium bis[tris(salicylato)titanate(IV)] undecahydrate, Na~4~[Ti(C~7~O~3~H~4~)~3~]~2~.11H~2~O","","- C21 H23 Na2 O14.5 Ti -","- C21 H12 Na2 O14.5 Ti -","- C168 H96 Na16 O116 Ti8 -","8","2","CF6434","Raja Dey; Kakoli Mukharjee; Vratislav Langer; Priyobroto Roychowdhury","A titanium salicylate, Na~4~[Ti(C~7~H~4~O~3~)~3~]~2~·11H~2~O","Acta Crystallographica Section E","2005","61","8","m1495","m1497","10.1107/S1600536805021276","","","0.71073","MoKα","","0.1468","0.0627","","","0.1509","0.17","","","","","","0.934","","","","has coordinates,has Fobs","283803","2023-05-16","08:05:53",""
"2206368","9.263","0.002","10.308","0.003","10.974","0.003","90","","112.872","0.003","90","","965.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-benzoyl alanine","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","CF6435","Ai-Yun Fu; Da-Qi Wang","<i>N</i>-Benzoylalanine","Acta Crystallographica Section E","2005","61","8","o2336","o2337","10.1107/S1600536805020283","","","0.71073","MoKα","","0.0579","0.0486","","","0.1359","0.1443","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206369","13.624","0.002","10.188","0.001","24.248","0.003","90","","98.53","0.01","90","","3328.4","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4'-Hydroxy-4-methylstilbazolium tetraphenylborate dimethyl sulfoxide solvate","4'-Hydroxy-4-methylstilbazolium tetraphenylborate dimethyl sulfoxide solvate","","- C40 H40 B N O2 S -","- C40 H40 B N O2 S -","- C160 H160 B4 N4 O8 S4 -","4","1","CF6436","Wen Yang; Shu-Jin Li; De-Chun Zhang","4'-Hydroxy-4-methylstilbazolium tetraphenylborate dimethyl sulfoxide solvate","Acta Crystallographica Section E","2005","61","8","o2461","o2463","10.1107/S1600536805021446","","","0.71073","MoKα","","0.0856","0.0463","","","0.1092","0.121","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2206370","19.456","0.003","8.2838","0.0009","31.886","0.004","90","","101.212","0.004","90","","5041","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(R)-2,2'-Bis(diphenylphosphino)-6,6'-bis(tridecafluoro-n-hexyl)-1,1'-binaphthyl","","- C56 H30 F26 P2 -","- C56 H30 F26 P2 -","- C224 H120 F104 P8 -","4","0.5","CF6438","John Fawcett; Eric G. Hope; Alison M. Stuart; Andrew J. West","(<i>R</i>)-2,2'-Bis(diphenylphosphino)-6,6'-bis(tridecafluoro-<i>n</i>-hexyl)-1,1'-binaphthyl","Acta Crystallographica Section E","2005","61","8","o2484","o2485","10.1107/S1600536805021264","","","0.71073","MoKα","","0.0679","0.0582","","","0.1658","0.1736","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206371","11.656","0.003","7.326","0.002","14.012","0.002","90","","109.09","0.01","90","","1130.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(ethanol)(μ~3~-N-salicyclideneglycinato)nickel(II)","","- C11 H13 N Ni O4 -","- C11 H13 N Ni O4 -","- C44 H52 N4 Ni4 O16 -","4","1","CF6439","Yu-Zhou Yuan; Jian Zhou; Dong-Qing Li; Xing Liu; Zhen-Feng Chen; Kai-Bei Yu","The two-dimensional network polymer of (ethanol)(μ~3~-<i>N</i>-salicyclideneglycinato)nickel(II)","Acta Crystallographica Section E","2005","61","8","m1444","m1446","10.1107/S1600536805020593","","","0.71073","MoKα","","0.046","0.0342","","","0.0862","0.0898","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206372","5.9422","0.0002","28.3304","0.001","7.9071","0.0003","90","","90","","90","","1331.12","0.08","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","p-bromophenyl p-toluenesulfonate","4-bromophenyl 4-toluenesulfonate","","- C13 H11 Br O3 S -","- C13 H11 Br O3 S -","- C52 H44 Br4 O12 S4 -","4","1","CF6440","Vadivelu Manivannan; Nagarajan Vembu; Maruthai Nallu; Kandasamy Sivakumar; Frank R. Fronczek","4-Bromophenyl 4-toluenesulfonate: supramolecular aggregation through weak C—H···O and C—H···π interactions","Acta Crystallographica Section E","2005","61","8","o2736","o2738","10.1107/S1600536805023810","","","0.71073","MoKα","","0.0366","0.0348","","","0.0926","0.0944","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206373","7.6018","0.0005","7.7685","0.0005","11.6547","0.0007","77.106","0.003","81.047","0.003","64.506","0.003","604.19","0.07","293","2","293","2","","","","","","","","2","P -1","-P 1","2","2,3,3',4'-Tetramethylbiphenyl","2,3,3',4'-Tetramethylbiphenyl","","- C16 H18 -","- C16 H18 -","- C32 H36 -","2","1","CF6441","Andrew J. Robertson; Daniel J. Price","2,3,3',4'-Tetramethylbiphenyl","Acta Crystallographica Section E","2005","61","8","o2610","o2612","10.1107/S1600536805022476","","","0.71073","MoKα","","0.0861","0.0489","","","0.1113","0.1266","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206374","16.043","0.003","10.536","0.002","15.647","0.003","90","","104.31","0.03","90","","2562.7","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorobis[2-(o-tolyliminomethyl)phenolato]copper(II)","","- C28 H26 Cl2 Cu N2 O2 -","- C28 H26 Cl2 Cu N2 O2 -","- C112 H104 Cl8 Cu4 N8 O8 -","4","0.5","CF6444","Yang, Yu-Min","Dichlorobis[2-(<i>o</i>-tolyliminomethyl)phenolato]copper(II)","Acta Crystallographica Section E","2005","61","8","m1616","m1617","10.1107/S1600536805023305","","","0.71073","MoKα","","0.1305","0.0568","","","0.1114","0.1381","","","","","","0.952","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206375","10.323","0.002","10.63","0.002","11.018","0.002","90","","111.71","0.03","90","","1123.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)zinc(II) diperchlorate","","- C16 H32 Cl2 N4 O8 Zn -","- C16 H32 Cl2 N4 O8 Zn -","- C32 H64 Cl4 N8 O16 Zn2 -","2","0.5","CF6445","Yang, Yu-Min","(<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)zinc(II) diperchlorate","Acta Crystallographica Section E","2005","61","8","m1618","m1619","10.1107/S1600536805023317","","","0.71073","MoKα","","0.0478","0.0441","","","0.1063","0.1086","","","","","","1.144","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206376","17.2952","0.0002","10.7468","0.0002","20.4914","0.0004","90","","100.786","0.0005","90","","3741.4","0.11","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","Isopropyl 2,5-anhydro-3,4-di-O-tert-butyldiphenylsilyl-L-ribonate","","- C40 H50 O5 Si2 -","- C40 H50 O5 Si2 -","- C160 H200 O20 Si8 -","4","2","CF6446","Andreas F. G. Glawar; David J. Watkin; Gangadhar J. Sanjayan; George E. Tranter; Alison A. Edwards; George W. J. Fleet","Isopropyl 2,5-anhydro-3,4-di-<i>O</i>-<i>tert</i>-butyldiphenylsilyl-<small>L</small>-ribonate","Acta Crystallographica Section E","2005","61","8","o2724","o2726","10.1107/S1600536805023822","","","0.71073","MoKα","","0.05","0.05","","0.096","0.096","0.096","","","","","","0.9663","","","","has coordinates,has disorder,has Fobs","201973","2020-10-21","18:00:00",""
"2206377","10.4312","0.0003","5.4469","0.0001","13.0536","0.0005","90","","93.4825","0.001","90","","740.31","0.04","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,3S,4S,5R)-Methyl 5-cyano-2,3:4,5-di-O-isopropylidene-2,3,4,5- tetrahydroxypentanoate","","- C13 H19 N O6 -","- C13 H19 N O6 -","- C26 H38 N2 O12 -","2","1","CF6447","Andreas Glawar; Benjamin A. Mayes; David Watkin; George W. J. Fleet","(2<i>R</i>,3<i>S</i>,4<i>S</i>,5<i>R</i>)-Methyl 5-cyano-2,3:4,5-di-<i>O</i>-isopropylidene-2,3,4,5-tetrahydroxypentanoate","Acta Crystallographica Section E","2005","61","8","o2727","o2729","10.1107/S1600536805023834","","","0.71073","MoKα","","0.0318","0.0318","","0.0693","0.0693","0.0693","","","","","","0.9885","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206378","7.691","0.002","14.882","0.004","16.948","0.005","77.2","0.014","77.262","0.014","80.658","0.014","1831.9","0.9","123.1","","","","","","","","","","","4","P -1","-P 1","2","","2-Amino-5-[4-(octylamino)phenyl]cyclohepta-2,4,6-trien-1-one","","- C21 H28 N2 O -","- C21 H28 N2 O -","- C84 H112 N8 O4 -","4","2","CF6449","Kubo, Kanji; Matsumoto, Taisuke; Katahira, Kouki; Mori, Akira","2-Amino-5-[4-(octylamino)phenyl]cyclohepta-2,4,6-trien-1-one","Acta Crystallographica Section E","2005","61","8","o2750","o2752","10.1107/S1600536805023792","","","0.7107","MoKα","","","0.0712","","","","0.2016","","","","","","1","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206379","13.4594","0.001","9.8855","0.0005","14.0878","0.0011","90","","91.08","0.006","90","","1874.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[3-Methyl-3-(2,4,6-trimethylphenyl)cyclobutyl]-2-(thiomorpholin-4-yl)ethanone","","- C20 H29 N O S -","- C20 H29 N O S -","- C80 H116 N4 O4 S4 -","4","1","CI6593","Hanife Saraçoĝlu; Serkan Soylu; Nezihe Çalıs̨kan; Alaaddin Çukurovali; Ibrahim Yilmaz; Cavit Kazaz","1-[3-Methyl-3-(2,4,6-trimethylphenyl)cyclobutyl]-2-(thiomorpholin-4-yl)ethanone","Acta Crystallographica Section E","2005","61","8","o2401","o2402","10.1107/S1600536805020994","","","0.71073","MoKα","","0.0755","0.0489","","","0.1345","0.1463","","","","","","1.173","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206380","12.3572","0.0017","12.6676","0.0011","15.874","0.003","90","","90","","90","","2484.9","0.6","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(9R,13R,14R)-7-(E)-Benzylidene-14-hydroxy-3,4-dimethoxy-17-methylmorphinan-6-one","","- C29 H33 N O4 -","- C29 H33 N O4 -","- C116 H132 N4 O16 -","4","1","CI6602","Parrish, Damon A.; Thatcher, Linn N.; Wu, Hui-Fang; Coop, Andrew; Deschamps, Jeffrey R.","(9<i>R</i>,13<i>R</i>,14<i>R</i>)-7-(<i>E</i>)-Benzylidene-14-hydroxy-3,4-dimethoxy-17-methylmorphinan-6-one","Acta Crystallographica Section E","2005","61","8","o2617","o2618","10.1107/S1600536805019987","","","1.54178","CuKα","","0.0654","0.0533","","","0.1373","0.1475","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206381","8.6283","0.0003","10.6995","0.0004","11.0065","0.0004","100.161","0.001","94.482","0.001","103.168","0.001","966.42","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1,4,8,11-Tetrakis(carboxymethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazoniacyclotetradecane tetrachloride octahydrate","","- C24 H64 Cl4 N4 O16 -","- C24 H64 Cl4 N4 O16 -","- C24 H64 Cl4 N4 O16 -","1","0.5","CI6606","Wang, Shi-Fan; Li, Huan-Qiu; Ruan, Ban-Feng; Zhu, Hai-Liang; Ng, Seik Weng","1,4,8,11-Tetrakis(carboxymethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazoniacyclotetradecane tetrachloride octahydrate","Acta Crystallographica Section E","2005","61","8","o2413","o2414","10.1107/S1600536805020817","","","0.71073","MoKα","","0.045","0.044","","","0.12","0.121","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206382","9.1863","0.0006","13.8653","0.0009","19.987","0.001","90","","93.604","0.001","90","","2540.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8- diacetato)nickel(II) tetrahydrate","","- C20 H46 N4 Ni O8 -","- C20 H46 N4 Ni O8 -","- C80 H184 N16 Ni4 O32 -","4","1","CI6607","Wang, Shi-Fan; Xue, Jia-Yu; Shi, Lei; Zhu, Hai-Liang; Ng, Seik Weng","(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8-diacetato)nickel(II) tetrahydrate","Acta Crystallographica Section E","2005","61","8","m1481","m1483","10.1107/S1600536805021033","","","0.71073","MoKα","","0.062","0.055","","","0.135","0.139","","","","","","1.15","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206383","5.6856","0.0008","10.9674","0.001","20.704","0.003","90","","92.306","0.012","90","","1290","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-chloro-3-oxo-2-(phenylhydrazono)butyrate","","- C12 H13 Cl N2 O3 -","- C12 H13 Cl N2 O3 -","- C48 H52 Cl4 N8 O12 -","4","1","CI6608","Alpaslan, Gökhan; Özdamar, Özgür; Odabas̨oǧlu, Mustafa; Ersanlı, Cem Cüneyt; Büyükgüngör, Orhan; Erdönmez, Ahmet","Ethyl 4-chloro-3-oxo-2-(phenylhydrazono)butyrate","Acta Crystallographica Section E","2005","61","8","o2428","o2430","10.1107/S1600536805021240","","","0.71073","MoKα","","0.07","0.035","","","0.083","0.092","","","","","","0.82","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2206384","12.34","0.002","8.7775","0.0014","17.678","0.003","90","","104.861","0.003","90","","1850.7","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-chlorophenyl)-N-(2-cyano-4-methyl-2-pentanyl)-5-methylisoxazole- 4-carboxamide","","- C18 H20 Cl N3 O2 -","- C18 H20 Cl N3 O2 -","- C72 H80 Cl4 N12 O8 -","4","1","CI6609","Bin Zhong; Zheng-Ming Li; Hai-Bin Song","3-(2-Chlorophenyl)-<i>N</i>-(2-cyano-4-methyl-2-pentyl)-5-methylisoxazole-4-carboxamide","Acta Crystallographica Section E","2005","61","8","o2621","o2622","10.1107/S1600536805022373","","","0.71073","MoKα","","0.0987","0.0451","","","0.1149","0.1496","","","","","","0.935","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206385","6.5207","0.0017","9.2488","0.0016","13.429","0.004","102.108","0.008","94.112","0.007","101.504","0.008","770.5","0.3","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","1-[4-(4-Methylpyrimidin-2-yl)piperazin-1-ylmethyl]-1H-benzotriazole","","- C16 H19 N7 -","- C16 H19 N7 -","- C32 H38 N14 -","2","1","CI6611","Feng-Qi He; Bao-Lei Wang; Zheng-Ming Li; Hai-Bin Song","1-[4-(4-Methylpyrimidin-2-yl)piperazin-1-ylmethyl]-1<i>H</i>-benzotriazole","Acta Crystallographica Section E","2005","61","8","o2602","o2604","10.1107/S1600536805022208","","","0.71073","MoKα","","0.0774","0.0481","","","0.1169","0.1353","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206386","10.617","0.001","11.399","0.001","13.691","0.001","90","","94.133","0.001","90","","1652.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methanol[4-nitro-2-(pyridin-2-ylmethyliminomethyl)phenolato](thiocyanato) zinc(II)","","- C15 H14 N4 O4 S Zn -","- C15 H14 N4 O4 S Zn -","- C60 H56 N16 O16 S4 Zn4 -","4","1","CI6613","You, Zhong-Lu","Methanol[4-nitro-2-(pyridin-2-ylmethyliminomethyl)phenolato](thiocyanato)zinc(II)","Acta Crystallographica Section E","2005","61","8","m1571","m1573","10.1107/S160053680502218X","","","0.71073","MoKα","","0.0446","0.0371","","","0.1034","0.1083","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206387","10.371","0.003","16.447","0.004","11.07","0.003","90","","90","","90","","1888.2","0.9","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[N,N'-Bis(3-methylsalicylidene)propane-1,3-diaminato]nickel(II) methanol solvate","","- C20 H24 N2 Ni O3 -","- C20 H24 N2 Ni O3 -","- C80 H96 N8 Ni4 O12 -","4","0.5","CI6614","You, Zhong-Lu","[<i>N</i>,<i>N</i>'-Bis(3-methylsalicylidene)propane-1,3-diaminato]nickel(II) methanol solvate","Acta Crystallographica Section E","2005","61","8","m1601","m1603","10.1107/S1600536805022956","","","0.71073","MoKα","","0.0721","0.0546","","","0.1499","0.1624","","","","","","1.062","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206388","12.5083","0.0015","6.9995","0.0005","17.885","0.002","90","","96.988","0.01","90","","1554.2","0.3","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Chloro-2-nitrophenyl)-N-methyl-N'-(quinolin-4-ylmethylene)hydrazine","","- C17 H13 Cl N4 O2 -","- C17 H13 Cl N4 O2 -","- C68 H52 Cl4 N16 O8 -","4","1","CI6616","Karadayı, Nevzat; Aydemir, Ercan; Kazak, Canan; Kirpi, Erdoğan; Tuğcu, F. Tülay; Gümüs̨, M. Kemal; Kaban, S̨eniz","<i>N</i>-(4-Chloro-2-nitrophenyl)-<i>N</i>-methyl-<i>N</i>'-(quinolin-4-ylmethylene)hydrazine","Acta Crystallographica Section E","2005","61","8","o2671","o2673","10.1107/S1600536805023020","","","0.71073","MoKα","","0.1332","0.0441","","","0.059","0.067","","","","","","0.937","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206389","7.529","0.002","10.399","0.002","21.555","0.003","90","","90","","90","","1687.6","0.6","298","2","298","2","","","","","","","","5","A 21 a m","A -2 2a","36","[N,N'-Bis(3-methylsalicylidene)-1,3-propanediaminato]nickel(II)","{6,6'-Dimethyl-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}nickel(II)","","- C19 H20 N2 Ni O2 -","- C19 H20 N2 Ni O2 -","- C76 H80 N8 Ni4 O8 -","4","0.5","CI6619","You, Zhong-Lu","[<i>N</i>,<i>N</i>'-Bis(3-methylsalicylidene)-1,3-propanediaminato]nickel(II)","Acta Crystallographica Section E","2005","61","8","m1637","m1638","10.1107/S1600536805023470","","","0.71073","MoKα","","0.0384","0.035","","","0.085","0.0874","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206390","10.045","0.002","10.247","0.002","11.261","0.002","111.134","0.002","112.428","0.003","99.831","0.003","933.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","9-(4-Bromophenyl)-3,3,7-trimethyl-3,4-dihydroacridin-1(2H)-one","","- C22 H20 Br N O -","- C22 H20 Br N O -","- C44 H40 Br2 N2 O2 -","2","1","CV6527","Shujiang Tu; Bo Jiang; Xiang Zou; Tuanjie Li","9-(4-Bromophenyl)-3,3,7-trimethyl-3,4-dihydroacridin-1(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","8","o2570","o2572","10.1107/S1600536805022270","","","0.71073","MoKα","","0.0466","0.0323","","","0.0788","0.0856","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206391","6.8616","0.0006","5.8084","0.0006","25.6901","0.0018","90","","90.733","0.008","90","","1023.79","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Histidinium Sulfate","L-Histidinium sulfate","","- C6 H11 N3 O6 S -","- C6 H11 N3 O6 S -","- C24 H44 N12 O24 S4 -","4","2","CV6532","R. Praveen Kumar; S. Athimoolam; S. Asath Bahadur; R. K. Rajaram","<small>L</small>-Histidinium sulfate","Acta Crystallographica Section E","2005","61","8","o2419","o2421","10.1107/S1600536805021021","","","0.71073","MoKα","","0.0632","0.0467","","","0.1302","0.1891","","","","","","1.151","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206392","17.7114","0.0013","7.8569","0.0006","14.3048","0.001","90","","110.589","0.001","90","","1863.5","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(p-Bromophenyl)-5-tosylperhydropyrrolo[3,4-b]pyrrole","","- C19 H21 Br N2 O2 S -","- C19 H21 Br N2 O2 S -","- C76 H84 Br4 N8 O8 S4 -","4","1","CV6533","S. Selvanayagam; D. Velmurugan; K. Ravikumar; M. Poornachandran; R. Raghunathan","1-(<i>p</i>-Bromophenyl)-5-<i>p</i>-tosylperhydropyrrolo[3,4-<i>b</i>]pyrrole","Acta Crystallographica Section E","2005","61","8","o2493","o2495","10.1107/S1600536805021665","","","0.71073","MoKα","","0.0557","0.0391","","","0.1074","0.1183","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206393","11.777","0.001","13.507","0.003","15.141","0.005","90","","95.81","0.02","90","","2396.1","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Di-μ-chloro-bis[bis(cumylcyclopentadienyl)yttrium(III)]","","- C56 H60 Cl2 Y2 -","- C56 H60 Cl2 Y2 -","- C112 H120 Cl4 Y4 -","2","0.5","CV6537","Antonella Caterina Boccia; Fabia Grisi; Roberto Centore; Angela Tuzi","Di-μ-chloro-bis[bis(cumylcyclopentadienyl)yttrium(III)]","Acta Crystallographica Section E","2005","61","8","m1449","m1451","10.1107/S1600536805020556","","","0.71069","MoKα","","0.1178","0.0511","","","0.0787","0.0913","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206394","10.943","0.004","13.777","0.005","7.514","0.003","90","","90","","90","","1132.8","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(4-Methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","CV6538","Jun Wan; Chun-Li Li; Xue-Mei Li; Shi-Ying Wang; Shu-Sheng Zhang","1-(4-Methylphenyl)-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one","Acta Crystallographica Section E","2005","61","8","o2391","o2392","10.1107/S1600536805020568","","","0.71073","MoKα","","0.0581","0.0368","","","0.1041","0.1075","","","","","","1.139","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206395","6.478","0.0001","16.309","0.0002","26.245","0.0005","90","","90","","90","","2772.78","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,5S,10S,13S,14S,17S)-Methyl l3β-acetyl-25,26,27-trisnorlanost-8-en-24-oate","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","1","CV6539","Mazoir, N.; Giorgi, M.; Auhmani, A.","(3<i>S</i>,5<i>S</i>,10<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>S</i>)-Methyl 3β-acetyl-25,26,27-trisnorlanost-8-en-24-oate","Acta Crystallographica Section E","2005","61","8","o2382","o2383","10.1107/S1600536805020726","","","0.71073","MoKα","","0.0888","0.0641","","","0.1522","0.1729","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206396","7.8486","0.0013","6.8254","0.0012","28.771","0.005","90","","90","","90","","1541.3","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-dibenzoylpiperazine","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","0.5","CV6540","Zheng, Peng-Wu; Wang, Wei; Duan, Xue-Min","<i>N</i>,<i>N</i>'-Dibenzoylpiperazine","Acta Crystallographica Section E","2005","61","8","o2513","o2514","10.1107/S160053680502088X","","","0.71073","MoKα","","0.0576","0.0382","","","0.0941","0.1062","","","","","","1.02","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206397","15.043","0.002","4.9119","0.0007","17.1097","0.0017","90","","123.848","0.008","90","","1050","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Acetonyl morpholine-4-carbodithioate","","- C8 H13 N O2 S2 -","- C8 H13 N O2 S2 -","- C32 H52 N4 O8 S8 -","4","1","CV6541","Jun Wan; Chun-Li Li; Xue-Mei Li; Shu-Sheng Zhang","Acetonyl morpholine-4-carbodithioate","Acta Crystallographica Section E","2005","61","8","o2426","o2427","10.1107/S1600536805020891","","","0.71073","MoKα","","0.0378","0.0335","","","0.0951","0.0992","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206398","5.0999","0.0008","4.6273","0.0008","15.0106","0.0019","90","","107.093","0.005","90","","338.58","0.09","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(Carboxymethyl)uracil","","- C6 H6 N2 O4 -","- C6 H6 N2 O4 -","- C12 H12 N4 O8 -","2","1","CV6542","Jing Xiong; Miao-Chang Liu; Ji-Xin Yuan","1-(Carboxymethyl)uracil","Acta Crystallographica Section E","2005","61","8","o2665","o2667","10.1107/S1600536805022774","","","0.71073","MoKα","","0.0675","0.0659","","","0.1472","0.1481","","","","","","1.265","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206399","10.9594","0.0012","8.7222","0.0009","11.5783","0.0012","90","","113.136","0.002","90","","1017.76","0.19","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Di-μ-oxo-bis[(histidinato-κ^3^N,N,O)oxomolybdenum(V)] trihydrate","","- C12 H22 Mo2 N6 O11 -","- C12 H22 Mo2 N6 O11 -","- C24 H44 Mo4 N12 O22 -","2","1","CV6543","Ping-Fan Wu; Dong-Sheng Li; Xiang-Gao Meng; Xiao-Lin Zhong; Jiang Chao; Yu-Lin Zhu; Yong-Ge Wei","Di-μ-oxo-bis[(histidinato-κ^3^<i>N</i>,<i>N</i>,<i>O</i>)oxomolybdenum(V)] trihydrate","Acta Crystallographica Section E","2005","61","8","m1553","m1555","10.1107/S1600536805021732","","","0.71073","MoKα","","0.02","0.0198","","","0.0485","0.0486","","","","","","1.126","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206400","9.2334","0.0009","9.3684","0.001","11.3028","0.0012","99.895","0.008","90.607","0.008","95.637","0.008","958.14","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-Benzyl-3-(2-phenethyl)benzimidazolium bromide monohydrate","","- C22 H22 Br N2 O -","- C22 H22 Br N2 O -","- C44 H44 Br2 N4 O2 -","2","1","CV6545","Mehmet Akkurt; Selvi Karaca; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör","1-Benzyl-3-(2-phenethyl)benzimidazolium bromide monohydrate","Acta Crystallographica Section E","2005","61","8","o2452","o2454","10.1107/S1600536805021653","","","0.71073","MoKα","","0.0394","0.0371","","","0.0981","0.1","","","","","","1.09","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206401","5.133","0.003","5.866","0.003","12.202","0.006","90","","99.779","0.007","90","","362.1","0.3","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Mercury(I) acetate","Mercury(I) acetate","","- C2 H3 Hg O2 -","- C2 H3 Hg O2 -","- C8 H12 Hg4 O8 -","4","0.5","CV6547","Prior, Timothy J.","A synchrotron study of mercury(I) acetate","Acta Crystallographica Section E","2005","61","8","m1523","m1524","10.1107/S160053680502163X","","","0.8464","synchrotron","","0.0431","0.0428","","","0.1084","0.1086","","","","","","1.101","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206402","11.0623","0.001","10.4086","0.0009","20.2368","0.0015","90","","110.737","0.004","90","","2179.2","0.3","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4-Fluorophenyl)-2-(4-methylphenoxy)-5,8,9- trimethylthieno[3',2':5,6]pyrido[4,3-d]pyrimidin-4(3H)-one","","- C25 H20 F N3 O2 S -","- C25 H20 F N3 O2 S -","- C100 H80 F4 N12 O8 S4 -","4","1","CV6548","Zeping Cui; Mingtian Li; Jianchao Liu; Hongwu He","3-(4-Fluorophenyl)-2-(4-methylphenoxy)-5,8,9-trimethylthieno[3',2':5,6]pyrido[4,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","8","o2663","o2664","10.1107/S1600536805022968","","","0.71073","MoKα","","0.0883","0.0502","","","0.1028","0.1166","","","","","","0.89","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206403","36.589","0.005","5.3932","0.0007","7.9572","0.0011","90","","96.689","0.002","90","","1559.5","0.4","292","2","292","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-[4-(Phenylethynyl)phenyl]benzamide","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","CV6549","Yin, Guodong; Hu, Shengli; Li, Yitao; Wu, Anxin","<i>N</i>-[4-(Phenylethynyl)phenyl]benzamide","Acta Crystallographica Section E","2005","61","8","o2561","o2562","10.1107/S1600536805022105","","","0.71073","MoKα","","0.0604","0.0451","","","0.1086","0.1331","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206404","7.22","0.0014","10.14","0.002","12.08","0.002","93.79","0.03","103.21","0.03","104.21","0.03","827.6","0.3","298","2","293","2","","","","","","","","7","P -1","-P 1","2","","polymeric hexaaquacobalt(II) diaquadioxodi-μ~2~-pyrazine- bis[μ~3~-N-(phosphonomethyl)iminodiacetato]cobaltdivanadium dihydrate","","- C14 H36 Co2 N4 O26 P2 V2 -","- C14 H36 Co2 N4 O26 P2 V2 -","- C14 H36 Co2 N4 O26 P2 V2 -","1","0.5","CV6554","Almeida Paz, Filipe A.; Shi, Fa-Nian; Mafra, Luis; Makal, Anna; Wozniak, Krysztof; Trindade, Tito; Klinowski, Jacek; Rocha, João","[Co(H~2~O)~6~]{[Co(C~4~H~4~N~2~)(H~2~O)~2~][V~2~O~2~(pmida)~2~]}·2H~2~O [H~4~pmida is <i>N</i>-(phosphonomethyl)iminodiacetic acid]: the first two-dimensional hybrid framework containing [V~2~O~2~(pmida)~2~]^4{-^} building blocks","Acta Crystallographica Section E","2005","61","8","m1628","m1632","10.1107/S1600536805023263","","","0.71073","MoKα","","0.0285","0.0248","","","0.0656","0.0676","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206405","11.452","0.003","8.859","0.002","19.352","0.008","90","","90","","90","","1963.3","1.1","296","1","296","1","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-Cyanopropan-2-yl)-isobutyramide","","- C8 H14 N2 O -","- C8 H14 N2 O -","- C64 H112 N16 O8 -","8","2","CV6555","Rodríguez, Verónica; Barba, Victor; Bernès, Sylvain; Quintero, Leticia; Sartillo-Piscil, Fernando","<i>N</i>-(2-Cyanopropan-2-yl)isobutyramide","Acta Crystallographica Section E","2005","61","8","o2733","o2735","10.1107/S1600536805023330","","","0.71073","MoKα","","0.0881","0.0519","","","0.1303","0.1515","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206406","18.893","0.004","11.214","0.003","6.573","0.001","90","","90","","90","","1392.6","0.5","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","tricesium diiron(III) tris(arsenate)","","- As3 Cs3 Fe2 O12 -","- As3 Cs3 Fe2 O12 -","- As12 Cs12 Fe8 O48 -","4","0.25","DN6220","Ouerfelli, Najoua; Zid, Mohamed Faouzi; Jouini, Tahar","Un nouveau diarséniate Cs~3~Fe~2~(AsO~4~)~3~ à environnement exclusivement pentagonal du fer","Acta Crystallographica Section E","2005","61","8","i165","i167","10.1107/S1600536805021616","","","0.71073","MoKα","","0.0316","0.0244","","","0.0675","0.07","","","","","","1.246","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206407","12.524","0.003","13.027","0.002","13.008","0.004","90","","90.47","0.02","90","","2122.2","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","sodium lithium decavanadate eicosahydrate","","- H40 Li0.78 Na5.22 O48 V10 -","- H40 Li0.78 Na5.22 O48 V10 -","- H80 Li1.56 Na10.44 O96 V20 -","2","0.5","DN6227","Ksiksi, Regaya; Graia, Mohsen; Jouini, Tahar","Sel mixte de lithium et de sodium eicosahydrate, Na~5.22~Li~0.78~[V~10~O~28~]·20H~2~O","Acta Crystallographica Section E","2005","61","8","i177","i179","10.1107/S160053680502060X","","","0.71073","MoKα","","0.0385","0.0286","","","0.0671","0.0709","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206408","16.872","0.008","11.144","0.003","11.266","0.005","90","","128.55","0.03","90","","1656.6","1.4","293","","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2-amino-5-chloropyridinium) dihydrogenodiphosphate","","- C10 H14 Cl2 N4 O7 P2 -","- C10 H14 Cl2 N4 O7 P2 -","- C40 H56 Cl8 N16 O28 P8 -","4","0.5","DN6233","Akriche, Samah; Rzaigui, Mohamed","Bis(2-amino-5-chloropyridinium) dihydrogendiphosphate","Acta Crystallographica Section E","2005","61","8","o2607","o2609","10.1107/S1600536805022403","","","0.5608","AgKα","","0.0446","0.0377","","","0.1076","0.1122","","","","","","1.131","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206409","9.4153","0.0012","9.8326","0.0014","11.2069","0.0019","90","","96.391","0.012","90","","1031.1","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Bromoethyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside","","- C16 H23 Br O10 -","- C16 H23 Br O10 -","- C32 H46 Br2 O20 -","2","1","DN6234","Ivan Halasz; Renata Odžak; Srđanka Tomić; Dubravka Matković-Čalogović","2-Bromoethyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2005","61","8","o2644","o2645","10.1107/S1600536805022555","","","0.71073","MoKα","","0.0624","0.0465","","","0.1191","0.1422","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206410","6.041","0.002","10.875","0.004","12.819","0.005","73.78","0.02","81.29","0.03","82.77","0.03","796.2","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","4-[(2-Chloro-4-nitrophenyl)diazenyl]phenol dimethylformamide solvate","","- C15 H15 Cl N4 O4 -","- C15 H15 Cl N4 O4 -","- C30 H30 Cl2 N8 O8 -","2","1","DN6235","Xiu-Li You; Yan Zhang; Yong Zhang; De-Chun Zhang","4-[(2-Chloro-4-nitrophenyl)diazenyl]phenol dimethylformamide solvate","Acta Crystallographica Section E","2005","61","8","o2656","o2658","10.1107/S1600536805023093","","","0.7107","MoKα","","0.0844","0.0733","","","0.1631","0.1698","","","","","","1.164","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206411","21.349","0.006","5.2657","0.0014","21.303","0.006","90","","97.6","0.004","90","","2373.8","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(1H-Imidazol-1-yl)-1-(4-methoxyphenyl)propan-1-one","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","1","DN6236","Jun Wan; Zheng-Zhong Peng; Xue-Mei Li; Ping-Kai Ouyang; Shu-Sheng Zhang","3-(1<i>H</i>-Imidazol-1-yl)-1-(4-methoxyphenyl)propan-1-one","Acta Crystallographica Section E","2005","61","8","o2585","o2586","10.1107/S1600536805022385","","","0.71073","MoKα","","0.0571","0.0449","","","0.1134","0.1238","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206412","6.6684","0.0002","9.8585","0.0003","12.9149","0.0004","87.046","0.002","78.017","0.002","70.872","0.002","784.55","0.04","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Hydrochlorothiazide‒1,4-dioxane (1/1)","6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide‒1,4-dioxane (1/1)","","- C11 H16 Cl N3 O6 S2 -","- C11 H16 Cl N3 O6 S2 -","- C22 H32 Cl2 N6 O12 S4 -","2","1","DN6237","Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.","Hydrochlorothiazide‒1,4-dioxane (1/1)","Acta Crystallographica Section E","2005","61","8","o2573","o2575","10.1107/S1600536805022464","","","0.71073","MoKα","","0.0432","0.0311","","","0.0728","0.0782","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206413","10.4902","0.0009","8.1611","0.0007","13.8691","0.0012","90","","107.252","0.001","90","","1133.94","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-Chlorophenyl)-3-(1H-imidazol-1-yl)propan-1-one","","- C12 H11 Cl N2 O -","- C12 H11 Cl N2 O -","- C48 H44 Cl4 N8 O4 -","4","1","DN6238","Jun Wan; Zheng-Zhong Peng; Xue-Mei Li; Ping-Kai Ouyang; Shu-Sheng Zhang","1-(4-Chlorophenyl)-3-(1<i>H</i>-imidazol-1-yl)propan-1-one","Acta Crystallographica Section E","2005","61","8","o2659","o2660","10.1107/S160053680502310X","","","0.71073","MoKα","","0.0493","0.0411","","","0.1057","0.1118","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206414","3.623","0.0003","11.975","0.0002","20.2509","0.0002","90","","91.484","0.003","90","","878.3","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cytosinium oxalate monohydrate","cytosinium oxalate monohydrate","","- C6 H9 N3 O6 -","- C6 H9 N3 O6 -","- C24 H36 N12 O24 -","4","1","DN6240","Karim Bouchouit; Nourredine Benali-Cherif; Dahaoui, Slimane; Bendeif, El-Eulmi; Lecomte, Claude","Cytosinium oxalate monohydrate","Acta Crystallographica Section E","2005","61","8","o2755","o2757","10.1107/S1600536805023494","","","0.71073","MoKα","","0.0817","0.05","","","0.1054","0.1202","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206415","6.487","0.0005","6.656","0.0004","11.5588","0.0008","81.227","0.004","76.733","0.003","65.037","0.005","439.5","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-tert-butyl-4-nitro-1H-pyrazol-3-ol","","- C7 H11 N3 O3 -","- C7 H11 N3 O3 -","- C14 H22 N6 O6 -","2","1","ER6016","Daniel E. Lynch; Ian McClenaghan","5-<i>tert</i>-Butyl-4-nitro-1<i>H</i>-pyrazol-3-ol","Acta Crystallographica Section E","2005","61","8","o2347","o2348","10.1107/S1600536805020544","","","0.71073","MoKα","","0.067","0.0587","","","0.1476","0.1532","","","","","","1.191","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206416","14.206","0.004","14.015","0.004","22.639","0.006","90","","90","","90","","4507","2","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hexacarbonyl-bis(μ~2~-2-methoxyphenylthiolato)diiron(I)(Fe—Fe)","","- C20 H14 Fe2 O8 S2 -","- C20 H14 Fe2 O8 S2 -","- C160 H112 Fe16 O64 S16 -","8","1","ER6017","Si, You-Tao; Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Chang-Neng","Hexacarbonylbis(μ~2~-2-methoxyphenylthiolato)diiron(I)(<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2005","61","8","m1447","m1448","10.1107/S1600536805020313","","","0.71073","MoKα","","","0.032","","","0.0858","0.0877","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206417","11.1","0.04","12.38","0.03","15.88","0.04","90.08","0.05","102.24","0.05","113.59","0.06","1945","10","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis[hydrotris(4-chloro-3,5-dimethylpyrazolyl)borato]nickel(II)","","- C30 H38 B2 Cl6 N12 Ni -","- C30 H38 B2 Cl6 N12 Ni -","- C60 H76 B4 Cl12 N24 Ni2 -","2","1","FL6170","Desrochers, Patrick J.; Brown, Josh R.; Arvin, Michael E.; Jones, Gavin D.; Vicic, David A.","Bis[hydrotris(4-chloro-3,5-dimethylpyrazolyl)borato]nickel(II)","Acta Crystallographica Section E","2005","61","8","m1455","m1458","10.1107/S160053680502012X","","","0.7107","MoKα","","0.0628","0.0486","","","0.1106","0.1186","","","","","","1.101","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206418","10.7715","0.0004","11.0565","0.0004","20.9841","0.0007","90","","101.121","0.002","90","","2452.18","0.15","105","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(2-methylphenyl)-1-nitroso-3,5-diphenylpiperidin-4-one","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C124 H112 N8 O8 -","4","1","FL6171","J. Suresh; V. P. Alex Raja; R. V. Krishnakumar; S. Natarajan; S. Perumal; A. Mostad","2,6-Bis(2-methylphenyl)-1-nitroso-3,5-diphenylpiperidin-4-one","Acta Crystallographica Section E","2005","61","8","o2458","o2460","10.1107/S1600536805021112","","","0.71073","MoKα","","0.0413","0.0381","","","0.098","0.1011","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206419","24.3956","0.0016","12.04","0.0008","14.7848","0.001","90","","93.529","0.001","90","","4334.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2-(benz(othia/oxa)zol-2-yl)phenolato-κ^2^N,O]beryllium(II)","","- C26 H16 Be N2 O2.53 S1.47 -","- C26 H16 Be N2 O2.532 S1.468 -","- C208 H128 Be8 N16 O20.256 S11.744 -","8","1","FL6172","Tong, Yi-Ping","Bis[2-(benz(othia/oxa)zol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]beryllium(II)","Acta Crystallographica Section E","2005","61","8","m1472","m1474","10.1107/S1600536805020933","","","0.71073","MoKα","","0.0585","0.0468","","","0.1213","0.1299","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206420","10.4009","0.0015","11.3173","0.0018","15.353","0.003","90","","103.427","0.005","90","","1757.8","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-Nitrobenzoyloxy)-N-methyl-2-nitro-1-phenylpropan-1-amine","","- C17 H17 N3 O6 -","- C17 H17 N3 O6 -","- C68 H68 N12 O24 -","4","1","FL6174","Chu, Ji-Cheng; Li, Wei; Liu, Dong-Zhi","<i>N</i>-Methyl-2-nitro-<i>N</i>-(4-nitrobenzoyloxy)-1-phenylpropan-1-amine","Acta Crystallographica Section E","2005","61","8","o2661","o2662","10.1107/S1600536805022701","","","0.71073","MoKα","","0.0767","0.0381","","","0.0868","0.106","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206421","13.9313","0.0002","10.9888","0.0002","18.128","0.0004","90","","108.065","0.0008","90","","2638.38","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl2 N5 O8 -","- C24 H25 Cl2 N5 O8 -","- C96 H100 Cl8 N20 O32 -","4","1","FL6176","L. Mihiri D. Ariyananda; Richard E. Norman","2-{[<i>N</i>-(Pyridinium-2-ylmethyl)-<i>N</i>-(pyridin-2-ylmethyl)amino]methyl}-1-(pyridin-2-ylmethyl)pyridinium diperchlorate","Acta Crystallographica Section E","2005","61","8","o2679","o2681","10.1107/S1600536805022828","","","0.71073","MoKα","","0.0938","0.0733","","0.2029","","0.1606","","","0.93605","","","1.0343","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206422","10.716","0.003","10.979","0.003","13.307","0.004","75.67","0.01","71.87","0.01","77.49","0.01","1424.9","0.7","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","(Hydridotripyrazolylborato)iodo{(1,2,5,6-η)-1-[(Z)-1-iodo-2- phenylethenyl]cycloocta-1,5-diene}ruthenium(II)‒diiodine (2/1)","","- C25 H27 B I3 N6 Ru -","- C25 H27 B I3 N6 Ru -","- C50 H54 B2 I6 N12 Ru2 -","2","1","FL6177","Slugovc, Christian; Kirchner, Karl; Mereiter, Kurt","(Hydridotripyrazolylborato)iodo{(1,2,5,6-η)-1-[(<i>Z</i>)-1-iodo-2-phenylethenyl]cycloocta-1,5-diene}ruthenium(II)‒diiodine (2/1)","Acta Crystallographica Section E","2005","61","8","m1646","m1648","10.1107/S1600536805022944","","","0.71073","MoKα","","0.0389","0.0299","","","0.0674","0.0718","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206423","11.287","0.006","11.606","0.006","9.864","0.006","90","","112.39","0.07","90","","1194.7","1.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","O-Ethyl S-(3-oxoindan-1-yl) dithiocarbonate","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","1","FL6178","Hartung, Jens; Daniel, Kristina; Svoboda, Ingrid; Fuess, Hartmut","<i>O</i>-Ethyl <i>S</i>-(3-oxoindan-1-yl) dithiocarbonate","Acta Crystallographica Section E","2005","61","8","o2768","o2769","10.1107/S1600536805023901","","","0.71073","MoKα","","0.0733","0.0466","","","0.1259","0.1449","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206424","9.41","0.001","12.605","0.001","23.229","0.002","90","","90","","90","","2755.3","0.4","303","2","303","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-trans-Bromo-5-cis-fluoro-2,6,6-trimethyl-2-phenyltetrahydropyran","","- C14 H18 Br F O -","- C14 H18 Br F O -","- C112 H144 Br8 F8 O8 -","8","1","FL6180","Hartung, Jens; Greb, Marco; Svoboda, Ingrid; Fuess, Hartmut","3-<i>trans</i>-Bromo-5-<i>cis</i>-fluoro-2,6,6-trimethyl-2-phenyltetrahydropyran","Acta Crystallographica Section E","2005","61","8","o2770","o2771","10.1107/S1600536805023913","","","0.71073","MoKα","","0.1133","0.0733","","","0.1661","0.1878","","","","","","1.197","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206425","19.06","0.003","6.6887","0.0011","9.3752","0.0016","90","","90","","90","","1195.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(1S,3aR,4S,6aR)-1-(4-Hydroxy-3-methoxyphenyl)-4-(4-hydroxy-3- methylphenyl)perhydrofuro[3,4-c]furan-3a,6a-diol hexahydrate","","- C20 H34 O14 -","- C20 H26 O14 -","- C40 H52 O28 -","2","0.5","GH6022","Ying-Qian Xu; Bing Zhao; Li-Xin Yang","(1<i>S</i>,3a<i>R</i>,4<i>S</i>,6a<i>R</i>)-1-(4-Hydroxy-3-methoxyphenyl)-4-(4-hydroxy-3-methylphenyl)perhydrofuro[3,4-<i>c</i>]furan-3a,6a-diol hexahydrate","Acta Crystallographica Section E","2005","61","8","o2559","o2560","10.1107/S1600536805022117","","","0.71073","MoKα","","0.0618","0.0428","","","0.1182","0.1287","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206426","7.0515","0.0009","10.2953","0.0012","11.0039","0.0013","113.247","0.002","91.839","0.002","92.225","0.002","732.46","0.15","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","3-(4,6-Dimethylpyrimidin-2-yl)-2-methylchromen-4-one","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C32 H28 N4 O4 S2 -","2","1","GH6025","Wei Huang; Deyou Teng; Zhongzhen Zhou; Guangfu Yang","3-(4,6-Dimethylpyrimidin-2-yl)-2-methylchromen-4-one","Acta Crystallographica Section E","2005","61","8","o2510","o2512","10.1107/S1600536805021938","","","0.71073","MoKα","","0.0743","0.056","","","0.1661","0.1921","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206427","5.7593","0.0001","10.6881","0.0001","12.3122","0.0001","98.857","0.001","100.208","0.001","95.51","0.001","731.05","0.016","84","1","84","1","","","","","","","","3","P -1","-P 1","2","","5,8'-Dimethoxy-3H-1-benzofuran-2-spiro-2'-chroman","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","1","GH6027","George R. Clark; Kit Yee Tsang; Margaret A. Brimble","5,8'-Dimethoxy-3<i>H</i>-1-benzofuran-2-spiro-2'-chroman","Acta Crystallographica Section E","2005","61","8","o2748","o2749","10.1107/S1600536805023731","","","0.71073","MoKα","","0.0512","0.0404","","","0.0996","0.1074","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206428","24.9892","0.0015","16.622","0.0009","30.8299","0.0019","90","","110.506","0.003","90","","11994.4","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Diethanolaminium cyclo-octa-μ~2~-fluoro-hexadeca-μ~2~-trimethylacetato-κ^2^O:O'- heptachromium(III)nickel(II) ethyl acetate 0.5-solvate","","- C86 H160 Cr7 F8 N Ni O35 -","- C85.488 H155.47 Cr8 F8 N0.997 O35.494 -","- C341.952 H621.88 Cr32 F32 N3.988 O141.976 -","4","1","HB6196","Larsen, Finn K.; Muryn, Christopher A.; Overgaard, Jacob; Timco, Grigore A.; Winpenny, Richard E. P.","Diethanolaminium <i>cyclo</i>-octa-μ~2~-fluoro-hexadeca-μ~2~-trimethylacetato-κ^32^<i>O</i>:<i>O</i>'-heptachromium(III)nickel(II) ethyl acetate 0.5-solvate","Acta Crystallographica Section E","2005","61","8","m1525","m1527","10.1107/S1600536805019562","","","0.71073","MoKα","","0.1209","0.0907","","","0.2378","0.2577","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2206429","20.566","0.005","20.174","0.005","14.243","0.003","90","","108.614","0.003","90","","5600","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(3,5-diphenyl-4-amino-4H-1,2,4-triazole-κN^1^)zinc(II) bis(perchlorate)","","- C56 H48 Cl2 N16 O8 Zn -","- C56 H48 Cl2 N16 O8 Zn -","- C224 H192 Cl8 N64 O32 Zn4 -","4","1","HB6215","Yuan-Yuan Liu","Tetrakis(3,5-diphenyl-4-amino-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^)zinc(II) bis(perchlorate)","Acta Crystallographica Section E","2005","61","8","m1486","m1488","10.1107/S1600536805020714","","","0.71073","MoKα","","0.1298","0.0554","","","0.1205","0.149","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206430","10.8491","0.0003","14.2301","0.0003","13.3928","0.0003","90","","94.671","0.001","90","","2060.76","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetraaquabis(2-hydroxy-3,5-dinitrobenzoic acid)bis(2-oxido-3,5- dinitrobenzoato)tricopper‒diaquabis(2-hydroxy-3,5-dinitrobenzoato)copper‒water (0.54/0.92/4)","","- C28 H26.92 Cu2.54 N8 O36 -","- C28 H26.92 Cu2.54 N8 O36 -","- C56 H53.84 Cu5.08 N16 O72 -","2","0.5","HB6222","Jian-Rong Su; Duan-Jun Xu","The co-crystal tetraaquabis(2-oxido-3,5-dinitrobenzoato)bis(2-oxido-3,5-dinitrobenzoic acid)tricopper‒diaquabis(2-hydroxy-3,5-dinitrobenzoato)(2-oxido-3,5-dinitrobenzoic acid)copper‒water (0.54/0.92/4): a reformulation?","Acta Crystallographica Section E","2005","61","8","m1503","m1505","10.1107/S1600536805021069","","","0.71073","MoKα","","0.043","0.039","","","0.095","0.097","","","","","","1.199","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206431","24.463","0.004","14.818","0.002","15.911","0.003","90","","121.138","0.002","90","","4936.6","1.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Fe^III^(Salpn)(μ~2~-Salpn)Fe^III^(Salpn)","μ~2~-bis(salicylidene)propane-1,3-diaminato-bis{[bis(salicylidene)propane- 1,3-diaminato]iron(III)}","","- C51 H48 Fe2 N6 O6 -","- C51 H48 Fe2 N6 O6 -","- C204 H192 Fe8 N24 O24 -","4","0.5","HB6225","Bakir, Mohammed; Dasgupta, Tara P.; Dutta, Sujit K.; Ngah, Nurziana; Yamin, Bohari M.","Porous solvent-free μ~2~-bis(salicylidene)propane-1,3-diaminato-bis{[bis(salicylidene)propane-1,3-diaminato]iron(III)}","Acta Crystallographica Section E","2005","61","8","m1464","m1466","10.1107/S1600536805020611","","","0.71073","MoKα","","0.0572","0.0395","","","0.0945","0.1021","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206432","10.4595","0.0004","12.5105","0.0005","13.6969","0.0006","81.169","0.001","77.571","0.001","83.037","0.001","1722.3","0.12","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","Dichlorobis[2-(3,5-dimethylpyrazolyl-1-carbonyl)furan]palladium(II) bis[tris(pentafluorophenyl)borane] tetrahydrate dichloromethane disolvate","","- C58 H32 B2 Cl6 F30 N4 O8 Pd -","- C56 H28 B2 Cl2 F30 N4 O8 Pd -","- C56 H28 B2 Cl2 F30 N4 O8 Pd -","1","0.5","HB6228","Ilia A. Guzei; Stephen O. Ojwach; James Darkwa","Dichlorobis[2-(3,5-dimethylpyrazolyl-1-carbonyl)furan]palladium(II) bis[aquatris(pentafluorophenyl)boron] dihydrate dichloromethane disolvate","Acta Crystallographica Section E","2005","61","8","m1492","m1494","10.1107/S1600536805020520","","","0.71073","MoKα","","0.0321","0.0298","","","0.083","0.0849","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206433","19.6755","0.0016","9.7855","0.0008","9.9593","0.0008","90","","101.498","0.001","90","","1879","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dirubidium tricadmium tetrakis(sulfate) pentahydrate","","- Cd3 H10 O21 Rb2 S4 -","- Cd3 H10 O21 Rb2 S4 -","- Cd12 H40 O84 Rb8 S16 -","4","1","HB6229","Swain, Diptikanta; Guru Row, T. N.","Dirubidium tricadmium tetrakis(sulfate) pentahydrate","Acta Crystallographica Section E","2005","61","8","i163","i164","10.1107/S1600536805021252","","","0.71073","MoKα","","0.023","0.0219","","","0.0586","0.0591","","","","","","1.096","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206434","15.0179","0.0005","16.2881","0.0005","18.5719","0.0007","90","","102.964","0.0013","90","","4427.1","0.3","150","1","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[[diperchloratocopper(II)]-bis[μ~2~-1,3-bis(4-pyridyl)propane]]","","- C26 H28 Cl2 Cu N4 O8 -","- C26 H28 Cl2 Cu N4 O8 -","- C156 H168 Cl12 Cu6 N24 O48 -","6","1.5","HB6230","Ryu, Ji Young; Kim, Cheal; Park, Dae Won; Park, Lae Ok; Kim, Youngmee; Lough, Alan J.","The two-dimensional structure of poly[[diperchloratocopper(II)]-bis[μ~2~-1,3-bis(4-pyridyl)propane]]","Acta Crystallographica Section E","2005","61","8","m1489","m1491","10.1107/S1600536805020878","","","0.71073","MoKα","","0.0943","0.0569","","","0.1342","0.1585","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206435","8.07","0.005","9.644","0.005","18.125","0.005","100.28","0.05","96.2","0.05","112.12","0.05","1261.8","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Bipyridyl-κ^2^N,N')nitrato(triphenylphosphine-κP)silver(I)","","- C28 H23 Ag N3 O3 P -","- C28 H23 Ag N3 O3 P -","- C56 H46 Ag2 N6 O6 P2 -","2","1","HB6231","Amirnasr, Mehdi; Welter, Richard; Khalaji, Aliakbar Dehno","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')nitrato(triphenylphosphine-κ<i>P</i>)silver(I)","Acta Crystallographica Section E","2005","61","8","m1452","m1454","10.1107/S160053680502057X","","","0.71069","MoKα","","0.0423","0.0315","","","0.0829","0.0946","","","","","","1.064","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206436","9.1896","0.0006","13.8731","0.0009","20.001","0.001","90","","93.641","0.001","90","","2544.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8- diacetato)cobalt(II) tetrahydrate","","- C20 H46 Co N4 O8 -","- C20 H46 Co N4 O8 -","- C80 H184 Co4 N16 O32 -","4","1","HB6232","Wang, Shi-Fan; Ruan, Ban-Feng; Li, Huang-Qiu; Zhu, Hai-Liang; Ng, Seik Weng","(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8-diacetato)cobalt(II) tetrahydrate","Acta Crystallographica Section E","2005","61","8","m1484","m1485","10.1107/S1600536805020532","","","0.71073","MoKα","","0.0723","0.0624","","","0.1435","0.1485","","","","","","1.176","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206437","5.5931","0.0006","8.8605","0.001","14.0427","0.0015","90.206","0.002","96.662","0.002","96.181","0.002","687.11","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[dibromozinc(II)]-μ-1,2-bis(4-pyridyl)ethane]","","- C12 H12 Br2 N2 Zn -","- C12 H12 Br2 N2 Zn -","- C24 H24 Br4 N4 Zn2 -","2","1","HB6233","Hong, Sung Jin; Lee, Jung Hwan; Lee, Eun Yong; Kim, Cheal; Kim, Youngmee; Kim, Sung-Jin","<i>catena</i>-Poly[[dibromozinc(II)]-μ-1,2-bis(4-pyridyl)ethane], a one-dimensional coordination polymer","Acta Crystallographica Section E","2005","61","8","m1561","m1562","10.1107/S1600536805022026","","","0.71073","MoKα","","0.0577","0.0555","","","0.1443","0.1461","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206438","7.1352","0.0004","8.7869","0.0005","13.186","0.0007","88.659","0.001","85.782","0.001","88.145","0.001","823.86","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[bis(ethane-1,2-diaminium) [ferrate(III)-μ-hydroxo-κ^2^O:O-di-μ-sulfato-κ^4^O:O']] sulfate monohydrate]","","- C4 H23 Fe N4 O14 S3 -","- C4 H23 Fe N4 O14 S3 -","- C8 H46 Fe2 N8 O28 S6 -","2","1","HB6234","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","<i>catena</i>-Poly[[bis(ethane-1,2-diaminium) [ferrate(III)-μ-hydroxo-κ^2^<i>O</i>:<i>O</i>-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>']] sulfate monohydrate]","Acta Crystallographica Section E","2005","61","8","m1478","m1480","10.1107/S1600536805020866","","","0.71073","MoKα","","0.032","0.028","","","0.079","0.081","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206439","12.7839","0.0005","12.9973","0.0006","18.0683","0.0008","100.725","0.002","98.363","0.002","90.364","0.002","2916.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Chloro[η^5^-1-(dimethylaminoethyl)indenyl](triphenylphosphine)nickel(II) diethyl ether hemisolvate","","- C33 H36 Cl N Ni O0.5 P -","- C33 H36 Cl N Ni O0.5 P -","- C132 H144 Cl4 N4 Ni4 O2 P4 -","4","2","HB6236","Castonguay, Annie; Beauchamp, André L.; Vachon, Jason; Zargarian, Davit","Chloro[η^5^-1-(dimethylaminoethyl)indenyl](triphenylphosphine)nickel(II) diethyl ether hemisolvate","Acta Crystallographica Section E","2005","61","8","m1512","m1513","10.1107/S160053680502129X","","","1.54178","CuKα","","0.0836","0.048","","","0.1064","0.1184","","","","","","0.947","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206440","9.9384","0.0004","9.9384","0.0004","9.9384","0.0004","90","","90","","90","","981.63","0.07","295","2","295","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","ammonium oxonium dititanium(III,IV) tris(phosphate)","","- H7 N O13 P3 Ti2 -","- H7 N O13 P3 Ti2 -","- H28 N4 O52 P12 Ti8 -","4","0.333333","HB6237","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","Langbeinite-type mixed-valence (NH~4~)(H~3~O)Ti^III^Ti^IV^(PO~4~)~3~","Acta Crystallographica Section E","2005","61","8","i158","i159","10.1107/S1600536805021392","","","0.71073","MoKα","","0.022","0.022","","","0.065","0.065","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206441","11.355","0.001","17.568","0.002","16.102","0.002","90","","90","","90","","3212.1","0.6","295","2","295","2","","","","","","","","6","C m c 21","C 2c -2","36","","Tetrapyridinium tetrasulfatozirconate(IV) monohydrate","","- C20 H26 N4 O17 S4 Zr -","- C20 H26 N4 O17 S4 Zr -","- C80 H104 N16 O68 S16 Zr4 -","4","0.5","HB6238","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","Tetrapyridinium tetrasulfatozirconate(IV) monohydrate","Acta Crystallographica Section E","2005","61","8","m1520","m1522","10.1107/S1600536805021409","","","0.71073","MoKα","","0.075","0.055","","","0.131","0.143","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206442","13.684","0.0004","13.684","0.0004","21.4734","0.0008","90","","90","","90","","4020.9","0.2","150","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","5-tert-Butyl-4-bromo-1,2-dihydro-1H-pyrazol-3(2H)-one monohydrate","","- C7 H13 Br N2 O2 -","- C7 H13 Br N2 O2 -","- C112 H208 Br16 N32 O32 -","16","1","HG6180","Daniel E. Lynch; Ian McClenaghan","5-<i>tert</i>-Butyl-4-bromo-1,2-dihydro-1<i>H</i>-pyrazol-3(2<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2005","61","8","o2349","o2351","10.1107/S1600536805012791","","","0.71073","MoKα","","0.0419","0.0301","","","0.0641","0.0692","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206443","7.2196","0.0005","12.9481","0.0009","15.1436","0.0009","90","","90","","90","","1415.63","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1R,2R,5R)-(+)-2α-Hydroxypinan-3-one ketimine","(1R,2R,5R)-2-hydroxy-2,6,6-trimethyl-3-[(3- pyridyl)methylimino]bicyclo[3.1.1]heptane","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","HG6205","Ayers, Joshua T.; Sonar, Vijayakumar N.; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.","(1<i>R</i>,2<i>R</i>,5<i>R</i>)-(+)-2α-Hydroxypinan-3-one ketimine","Acta Crystallographica, Section E","2005","61","8","2682","o2684","10.1107/S1600536805023287","","","0.71073","MoKα","","0.0771","0.0474","","","0.097","0.1089","","","","","","1.018","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2206444","8.1321","0.0002","10.6922","0.0003","26.8033","0.0007","90","","90","","90","","2330.55","0.11","295","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-Acetoxymethyl-2-(2-methoxyphenoxy)tetrahydropyran-3,4,5-triyl triacetate","","- C21 H26 O11 -","- C21 H26 O11 -","- C84 H104 O44 -","4","1","HG6206","Zhou, Feng-Yan; Zhong, Jian-Hua","6-Acetoxymethyl-2-(2-methoxyphenoxy)tetrahydropyran-3,4,5-triyl triacetate","Acta Crystallographica, Section E: Structure Reports Online","2005","61","8","o2701","o2703","10.1107/S1600536805022804","","","0.7107","MoKα","","","0.04","","","","0.118","","","","","","1.012","","","","has coordinates,has Fobs","209472","2020-10-21","18:00:00",""
"2206445","11.9054","0.0008","10.8101","0.0006","13.6064","0.0009","90","","112.957","0.007","90","","1612.4","0.2","173","","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(3R)-Methyl 6-tert-butoxycarbonylamino-5-oxo- 2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyridine-3-carboxylate","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C56 H72 N8 O20 S4 -","4","2","HG6207","Seger, Harald; Stempfhuber, Sabine; Zabel, Manfred; Marsch, Michael; Geyer, Armin; Harms, Klaus","(3<i>R</i>)-Methyl 6-<i>tert</i>-butoxycarbonylamino-5-oxo-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyridine-3-carboxylate","Acta Crystallographica Section E","2005","61","8","o2576","o2578","10.1107/S1600536805022245","","","0.71073","MoKα","","0.0345","0.0338","","","0.0852","0.0856","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206446","7.624","0.005","10.436","0.006","12.791","0.008","99.096","0.007","98.257","0.007","98.981","0.007","977.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-{(2-chlorophenyl)[(4-methylphenyl)imino]methyl}ferrocene","","- C24 H20 Cl Fe N -","- C24 H20 Cl Fe N -","- C48 H40 Cl2 Fe2 N2 -","2","1","HG6208","Hong-Xing Wang; Hui-Chao Zhou; Hong-Fei Wu","1-{(2-Chlorophenyl)[(4-methylphenyl)imino]methyl}ferrocene","Acta Crystallographica Section E","2005","61","8","m1623","m1624","10.1107/S1600536805023299","","","0.71073","MoKα","","0.0333","0.0289","","","0.0778","0.08","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206447","18.159","0.002","7.8122","0.0009","21.777","0.003","90","","106.724","0.002","90","","2958.7","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","Bis(triphenylsilyl)selenide","","- C36 H30 Se Si2 -","- C36 H30 Se Si2 -","- C144 H120 Se4 Si8 -","4","1","HG6210","Medina, Iliana; Mague, Joel T.; Donahue, James P.; Fink, Mark J.","Bis(triphenylsilyl)selenide","Acta Crystallographica Section E","2005","61","8","o2687","o2688","10.1107/S1600536805023275","","","0.71073","MoKα","","0.027","0.0255","","","0.0592","0.0597","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206448","8.7101","0.0006","11.8947","0.0008","15.1194","0.001","109.92","0.001","102.599","0.001","98.444","0.001","1394.87","0.16","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","Diaquatetrakis(1H-imidazole)copper(II) bis[tris(1H-imidazole)(pyridine-2,4,6-tricarboxylato- κ^3^N,O^2^:O^6^)cuprate(II)] dihydrate","","- C46 H52 Cu3 N22 O16 -","- C46 H52 Cu3 N22 O16 -","- C46 H52 Cu3 N22 O16 -","1","0.5","HG6216","Houser, Robert P.; Cheng, Deping","Diaquatetrakis(1<i>H</i>-imidazole)copper(II) bis[tris(1<i>H</i>-imidazole)(pyridine-2,4,6-tricarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^6^)cuprate(II)] dihydrate","Acta Crystallographica Section E","2005","61","8","m1649","m1651","10.1107/S1600536805023780","","","0.71073","MoKα","","0.0257","0.025","","","0.0692","0.0696","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206449","7.5449","0.0019","9.187","0.002","9.5884","0.0019","79.358","0.003","78.13","0.002","70.887","0.003","609.6","0.2","298","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[3-dimethylamino-l-(2-pyridyl)prop-2-enonato]diperchloratozinc(II)","","- C20 H24 Cl2 N4 O10 Zn -","- C20 H24 Cl2 N4 O10 Zn -","- C20 H24 Cl2 N4 O10 Zn -","1","0.5","HK6010","Wang, Ping; Xu, Xiao-Nan; Zheng, Lan-Fang; Bao, Yan-Qing","Bis[3-dimethylamino-1-(2-pyridyl)prop-2-enonato]diperchloratozinc(II)","Acta Crystallographica Section E","2005","61","8","m1462","m1463","10.1107/S1600536805020623","","","0.71073","MoKα","","0.037","0.0343","","","0.0988","0.1012","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206450","7.1327","0.0002","16.8046","0.0006","7.9402","0.0002","90","","113.253","0.002","90","","874.42","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propane-1,3-diaminium hydrogenarsenate monohydrate","","- C3 H15 As N2 O5 -","- C3 H15 As N2 O5 -","- C12 H60 As4 N8 O20 -","4","1","HK6019","Todd, Malcolm J.; Harrison, William T. A.","Propane-1,3-diaminium hydrogenarsenate monohydrate","Acta Crystallographica Section E","2005","61","8","m1459","m1461","10.1107/S1600536805020702","","","0.71073","MoKα","","0.0273","0.0223","","","0.0534","0.0552","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206451","12.959","0.005","10.908","0.005","23.797","0.005","90","","90","","90","","3364","2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]non-4-yl)imidazo[2,1-b][1,3]thiazole- 5-carboxamide monohydrate","","- C14 H18 N4 O3 S2 -","- C14 H18 N4 O3 S2 -","- C112 H144 N32 O24 S16 -","8","1","HK6020","Sema Öztürk Yıldırım; Mehmet Akkurt; Fusun Ur; Zafer Cesur; Nesrin Cesur; Frank W. Heinemann","6-Methyl-<i>N</i>-(3-oxo-1-thia-4-azaspiro[4.4]non-4-yl)imidazo[2,1-<i>b</i>][1,3]thiazole-5-carboxamide monohydrate","Acta Crystallographica Section E","2005","61","8","o2357","o2359","10.1107/S1600536805020088","","","0.71069","MoKα","","0.052","0.0345","","","0.0702","0.0762","","","","","","1.036","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206452","11.648","0.006","5.777","0.003","15.852","0.008","90","","100.74","0.009","90","","1048","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-(1,4-Phenylenedivinylene)diquinolin-8-ol","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C56 H40 N4 O4 -","2","0.5","HK6021","Cui, Jian-Zhong; Zhang, Dan; Hai-Bin Song; Tang, Xiang-Yang","2,2'-(1,4-Phenylenedivinylene)diquinolin-8-ol","Acta Crystallographica Section E","2005","61","8","o2372","o2373","10.1107/S1600536805020672","","","0.71073","MoKα","","0.0832","0.0444","","","0.0975","0.1184","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206453","12.8335","0.0013","13.217","0.002","14.148","0.003","90","","94.239","0.011","90","","2393.2","0.7","299","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetra-n-butylammonium di-μ-hydroxo-bis[dinitratodioxouranium(VI)]","","- C32 H74 N6 O18 U2 -","- C32 H74 N6 O18 U2 -","- C64 H148 N12 O36 U4 -","2","0.5","HK6022","Andreas Fischer; Giuseppe Palladino","Tetra-<i>n</i>-butylammonium di-μ-hydroxo-bis[dinitratodioxouranate(VI)]","Acta Crystallographica Section E","2005","61","8","m1542","m1544","10.1107/S1600536805021045","","","0.71073","MoKα","","0.094","0.052","","","0.084","0.101","","","","","","1.27","","","","has coordinates,has Fobs","189213","2020-10-21","18:00:00",""
"2206454","12.0665","0.0011","10.305","0.001","17.4969","0.0017","90","","108.371","0.002","90","","2064.8","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 6,9-dibromo-1,4-dioxo-1,2,3,4,5,10-hexahydro-2,3,4a,10a-tetraazabenzo[g] cyclopenta[cd]azulene-2a,10b-dicarboxylate","","- C18 H18 Br2 N4 O6 -","- C18 H18 Br2 N4 O6 -","- C72 H72 Br8 N16 O24 -","4","1","HK6024","Nengfang She; Huizhen Guo; Zhiguo Wang; Anxin Wu","Diethyl 6,9-dibromo-1,4-dioxo-1,2,3,4,5,10-hexahydro-2,3,4a,10a-tetraazabenzo[<i>g</i>]cyclopenta[<i>cd</i>]azulene-2a,10b-dicarboxylate","Acta Crystallographica Section E","2005","61","8","o2549","o2550","10.1107/S1600536805022075","","","0.71073","MoKα","","0.0714","0.0575","","","0.1452","0.1571","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206455","9.7757","0.0003","10.5004","0.0003","15.6093","0.0004","90","","91.692","0.002","90","","1601.58","0.08","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hydrochlorothiazide aniline solvate","Hydrochlorothiazide‒aniline (1/1)","","- C13 H15 Cl N4 O4 S2 -","- C13 H15 Cl N4 O4 S2 -","- C52 H60 Cl4 N16 O16 S8 -","4","1","HK6025","Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.","Hydrochlorothiazide‒aniline (1/1)","Acta Crystallographica Section E","2005","61","8","o2520","o2522","10.1107/S1600536805021914","","","0.71073","MoKα","","0.0514","0.0335","","","0.0767","0.0836","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206456","8.633","0.002","10.924","0.003","13.296","0.004","109.334","0.004","90.305","0.005","111.828","0.004","1086.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","cis-(Carbonato-κ^2^O,O')(rac-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^N)chromium(III) bromide monohydrate","","- C17 H38 Br Cr N4 O4 -","- C17 H38 Br Cr N4 O4 -","- C34 H76 Br2 Cr2 N8 O8 -","2","1","HK6026","Liliana Dobrzańska","<i>cis</i>-(Carbonato-κ^2^<i>O</i>,<i>O</i>')(<i>rac</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)chromium(III) bromide monohydrate","Acta Crystallographica Section E","2005","61","8","m1625","m1627","10.1107/S1600536805023172","","","0.71073","MoKα","","0.0719","0.0502","","","0.108","0.1174","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206457","7.318","0.002","9.736","0.003","15.433","0.005","90","","98.178","0.005","90","","1088.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9,10-Bis[(phenylthio)methyl]anthracene '","","- C28 H22 S2 -","- C28 H22 S2 -","- C56 H44 S4 -","2","0.5","HK6027","Chunbo Liu; Guangbo Che; Chuanbi Li; Yuncheng Cui","9,10-Bis[(phenylsulfanyl)methyl]anthracene","Acta Crystallographica Section E","2005","61","8","o2537","o2538","10.1107/S160053680502204X","","","0.71073","MoKα","","0.0709","0.0404","","","0.0882","0.0995","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206458","11.7991","0.0009","10.0206","0.0008","18.423","0.001","90","","101.352","0.002","90","","2135.6","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(quinolinium) tetrachlorozincate dihydrate","","- C18 H20 Cl4 N2 O2 Zn -","- C18 H20 Cl4 N2 O2 Zn -","- C72 H80 Cl16 N8 O8 Zn4 -","4","0.5","HK6028","Valdés Martínez, Jesús; Muñoz, Orneli; Toscano, Rubén A.","π‒π Stacking in bis(quinolinium) tetrachlorozincate dihydrate","Acta Crystallographica Section E","2005","61","8","m1590","m1592","10.1107/S1600536805022506","","","0.71073","MoKα","","0.0831","0.0487","","","0.0789","0.0873","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206459","9.9906","0.0008","7.2954","0.0006","10.2946","0.0009","90","","91.893","0.001","90","","749.92","0.11","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Zn(phen)(mal)(H~2~O)]~n~","catena-Poly[[aqua(1,10-phenanthroline)zinc(II)]-μ-maleate-κ^3^O,O,O']","","- C16 H12 N2 O5 Zn -","- C16 H12 N2 O5 Zn -","- C32 H24 N4 O10 Zn2 -","2","1","IS6086","Li, Ming-Tian; Fu, Xu-Cheng; Wang, Cheng-Gang","<i>catena</i>-Poly[[aqua(1,10-phenanthroline)zinc(II)]-μ-maleato-κ^3^<i>O</i>,<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","8","m1436","m1438","10.1107/S1600536805020271","","","0.71073","MoKα","","0.0229","0.0223","","","0.0645","0.0648","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206460","7.4111","0.0016","8.7821","0.0019","15.545","0.003","75.292","0.003","84.626","0.002","78.163","0.003","956.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","{2-[2-(1H-1,3-Benzimidazol-2-yl)ethyliminomethyl]-4- bromophenolato}thiocyanatocopper(II) methanol solvate","","- C18 H17 Br Cu N4 O2 S -","- C18 H17 Br Cu N4 O2 S -","- C36 H34 Br2 Cu2 N8 O4 S2 -","2","1","IS6091","Xiao-Hang Qiu; Xiao-lan Tong","{2-[2-(1<i>H</i>-1,3-Benzimidazol-2-yl)ethyliminomethyl]-4-bromophenolato}thiocyanatocopper(II) methanol solvate","Acta Crystallographica Section E","2005","61","8","m1470","m1471","10.1107/S1600536805020477","","","0.71073","MoKα","","0.043","0.034","","","0.092","0.098","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206461","7.7453","0.0009","16.2325","0.0019","7.3667","0.0009","90","","98.908","0.002","90","","915.01","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","o-(2-Bromoethoxy)benzaldehyde","","- C9 H9 Br O2 -","- C9 H9 Br O2 -","- C36 H36 Br4 O8 -","4","1","IS6092","Bang-Tun Zhao; Jian-Ge Wang; Pu-Zhou Hu; Lu-Fang Ma; Li-Ya Wang","<i>o</i>-(2-Bromoethoxy)benzaldehyde","Acta Crystallographica Section E","2005","61","8","o2398","o2400","10.1107/S1600536805020799","","","0.71073","MoKα","","0.0432","0.0383","","","0.0967","0.1001","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206462","12.1705","0.0017","11.0375","0.0015","15.078","0.002","90","","107.232","0.003","90","","1934.5","0.5","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(5-Benzyloxy-2,4-dichlorophenyl)-4,5,6,7-tetrahydro -isoindole-1,3-dione","","- C21 H17 Cl2 N O3 -","- C21 H17 Cl2 N O3 -","- C84 H68 Cl8 N4 O12 -","4","1","IS6093","Neng-Xue Wang; Yan-Ping Luo; Qiong Chen; Guang-Fu Yang","2-(5-Benzyloxy-2,4-dichlorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione","Acta Crystallographica Section E","2005","61","8","o2332","o2333","10.1107/S1600536805020246","","","0.71073","MoKα","","0.0822","0.0484","","","0.1134","0.1293","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206463","5.8384","0.0001","9.6253","0.0002","25.7216","0.0004","90","","93.421","0.001","90","","1442.88","0.04","293","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1',3,3'-Tetrabenzyl-2,2'-biimidazolidine","","- C34 H38 N4 -","- C34 H38 N4 -","- C68 H76 N8 -","2","0.5","IS6094","Yliana López; Rosa Santillan; M. Eugenia Ochoa; Norberto Farfán; Efrén V. García-Báez; Itzia I. Padilla-Martínez","1,1',3,3'-Tetrabenzyl-2,2'-biimidazolidine","Acta Crystallographica Section E","2005","61","8","o2464","o2466","10.1107/S1600536805021136","","","0.71073","MoKα","","0.074","0.0482","","","0.1246","0.1396","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206464","10.257","0.004","23.04","0.008","7.424","0.003","90","","127.771","0.004","90","","1386.8","0.9","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-Ethyl-5-(pyrrol-1-yl)-1,8-naphthalimide","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","IS6096","Yu-Quan Shi; Dan Xu; Ming-Jian Cai; Bin Chen","<i>N</i>-Ethyl-5-(pyrrol-1-yl)-1,8-naphthalimide","Acta Crystallographica Section E","2005","61","8","o2436","o2437","10.1107/S1600536805021185","","","0.71073","MoKα","","0.0406","0.0328","","","0.0821","0.089","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206465","19.064","0.004","7.6978","0.0016","24.864","0.005","90","","98.261","0.004","90","","3611","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetra-μ-phenoxyacetato-bis[(acetonitrile)copper(II)](Cu—Cu)","","- C36 H34 Cu2 N2 O12 -","- C36 H34 Cu2 N2 O12 -","- C144 H136 Cu8 N8 O48 -","4","0.5","IS6097","Jiang, Guo-Qing; Li, Yi-Zhi; Wang, Su-Na; Li, Fei-Fei; Bai, Jun-Feng","Tetra-μ-phenoxyacetato-bis[(acetonitrile)copper(II)](<i>Cu</i>—<i>Cu</i>)","Acta Crystallographica Section E","2005","61","8","m1517","m1519","10.1107/S1600536805021197","","","0.71073","MoKα","","0.0858","0.0534","","","0.1071","0.1144","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206466","33.126","0.009","5.7499","0.0015","9.258","0.003","90","","90.305","0.005","90","","1763.4","0.9","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6-Bis(4-methoxybenzyloxy)pyridazine","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","0.5","IS6098","Fang-Zhong Hu; Min Zhang; Hai-Bin Song; Xiao-Mao Zou; Hua-Zheng Yang","3,6-Bis(4-methoxybenzyloxy)pyridazine","Acta Crystallographica Section E","2005","61","8","o2486","o2488","10.1107/S1600536805021173","","","0.71073","MoKα","","0.0846","0.04","","","0.0948","0.1146","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206467","5.482","0.003","5.381","0.002","43.859","0.002","90","","93.07","0.02","90","","1291.9","0.9","296","1","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,24-Dibromotetracosane","","- C24 H48 Br2 -","- C24 H48 Br2 -","- C48 H96 Br4 -","2","0.5","IS6099","Naotake Nakamura; Akira Ohishi","1,24-Dibromotetracosane","Acta Crystallographica Section E","2005","61","8","o2447","o2449","10.1107/S1600536805021379","","","1.5418","CuKα","","","0.056","","","","0.108","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206468","9.0195","0.0018","10.402","0.002","20.289","0.004","90","","97.477","0.003","90","","1887.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[2-({[(4-methoxybenzoyl)amino]carbonothioyl}amino)ethyl]morpholin-4-ium thiocyanate","","- C16 H22 N4 O3 S2 -","- C16 H22 N4 O3 S2 -","- C64 H88 N16 O12 S8 -","4","1","IS6100","Yusof, M. Sukeri M.; Yamin, Bohari M.","<i>N</i>-(4-Methoxybenzoyl)-<i>N</i>'-[2-(morpholinium-1-yl)ethyl]thiourea thiocyanate","Acta Crystallographica Section E","2005","61","8","o2433","o2435","10.1107/S1600536805021124","","","0.71073","MoKα","","0.063","0.054","","","0.12","0.125","","","","","","1.17","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206469","13.0125","0.0012","8.5957","0.0006","15.4586","0.0012","90","","112.655","0.006","90","","1595.7","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-Bis[5-oxo-3-(n-propyl)-4,5-dihydro-3H-1,2,4-triazol-4-yl]ethane dihydrate","","- C12 H24 N6 O4 -","- C12 H24 N6 O4 -","- C48 H96 N24 O16 -","4","0.5","IS6101","Gonca Özdemir; Şamil I şık; Kemal Sancak; Selami Şaşmaz; Nazmi Turan Okumuşoğlu","1,2-Bis[5-oxo-3-(<i>n</i>-propyl)-4,5-dihydro-3<i>H</i>-1,2,4-triazol-4-yl]ethane dihydrate","Acta Crystallographica Section E","2005","61","8","o2699","o2700","10.1107/S1600536805022853","","","0.71073","MoKα","","0.0588","0.0464","","","0.1126","0.1195","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206470","9.7963","0.0007","11.3007","0.0008","24.0399","0.0017","90","","93.922","0.001","90","","2655.1","0.3","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N'-Bis(N,N-dimethyl-p-toluidine)bis(ethoxycarbonyl)glycoluril","Diethyl 4,8-dioxo-2,6-di-p-tolyl-1,3,5,7-tetrahydro-2,3a,4a,6,7a,8a- hexaazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C28 H32 N6 O6 -","- C28 H32 N6 O6 -","- C112 H128 N24 O24 -","4","1","IS6102","Yin, Guo-Dong; Zhou, Bao-Han; Chen, Yun-Feng; Wu, An-Xin","<i>N</i>,<i>N</i>'-Bis(<i>N</i>,<i>N</i>-dimethyl-<i>p</i>-toluidine)bis(ethoxycarbonyl)glycoluril","Acta Crystallographica Section E","2005","61","8","o2632","o2634","10.1107/S1600536805022725","","","0.71073","MoKα","","0.072","0.0479","","","0.1194","0.1321","","","","","","1.025","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206471","15.1182","0.001","14.0027","0.0009","17.3551","0.0012","90","","107.173","0.002","90","","3510.2","0.4","291","2","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","mer-Bis(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-4-carbaldehyde 4,4-dimethylthiosemicarbazonato-κ^3^S,N,O)cobalt(III) tetrafluoroborate","","- C30 H36 B Co F4 N10 O2 S2 -","- C30 H36 B Co F4 N10 O2 S2 -","- C120 H144 B4 Co4 F16 N40 O8 S8 -","4","1","IS6103","Valdés Martínez, Jesús; Hernández-Ortega, Simón; West, Douglas X.; El-Sawaf, Ayman K.; El-Bahanasawy, Ramadan M.; El-Saied, Fathy A.","<i>mer</i>-Bis(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1<i>H</i>-pyrazole-4-carbaldehyde 4,4-dimethylthiosemicarbazonato-κ^3^<i>S</i>,<i>N</i>,<i>O</i>)cobalt(III) tetrafluoroborate","Acta Crystallographica Section E","2005","61","8","m1593","m1594","10.1107/S1600536805022488","","","0.71073","MoKα","","0.0581","0.0432","","","0.1048","0.1089","","","","","","0.94","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206472","14.3102","0.0008","7.6342","0.0004","18.5783","0.001","90","","107.637","0.001","90","","1934.22","0.18","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[cis-diaqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]- μ~2~-5-sulfonatosalicylato-κ^2^O:O']","","- C19 H16 Co N2 O8 S -","- C19 H16 Co N2 O8 S -","- C76 H64 Co4 N8 O32 S4 -","4","1","IS6104","Fan, Sai-Rong; Zhu, Long-Guan","<i>catena</i>-Poly[[<i>cis</i>-diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ~2~-5-sulfonatosalicylato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","8","m1598","m1600","10.1107/S1600536805022920","","","0.71073","MoKα","","0.0693","0.0667","","","0.1348","0.1359","","","","","","1.302","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206473","17.543","0.001","9.0676","0.0006","13.7592","0.0009","90","","96.67","0.001","90","","2173.9","0.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4,4'-Bipyridinium(2+) hexaaquairon(II) disulfate dihydrate","","- C10 H26 Fe N2 O16 S2 -","- C10 H26 Fe N2 O16 S2 -","- C40 H104 Fe4 N8 O64 S8 -","4","0.5","IS6106","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","4,4'-Bipyridinium(2+) hexaaquairon(II) disulfate dihydrate","Acta Crystallographica Section E","2005","61","8","m1639","m1640","10.1107/S1600536805023391","","","0.71073","MoKα","","0.059","0.054","","","0.126","0.13","","","","","","1.21","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206474","7.0983","0.0006","10.469","0.0009","10.5212","0.0009","60.421","0.001","76.616","0.001","76.797","0.002","655.44","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[piperazinium(2+) [ferrate(III)-μ-hydroxo-κ^2^O:O-di-μ-sulfato-κ^4^O:O'] dihydrate]","","- C4 H17 Fe N2 O11 S2 -","- C4 H17 Fe N2 O11 S2 -","- C8 H34 Fe2 N4 O22 S4 -","2","1","IS6107","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","<i>catena</i>-Poly[piperazinium(2+) [ferrate(III)-μ-hydroxo-κ^2^<i>O</i>:<i>O</i>-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'] dihydrate]","Acta Crystallographica Section E","2005","61","8","m1641","m1643","10.1107/S1600536805023408","","","0.71073","MoKα","","0.042","0.035","","","0.107","0.134","","","","","","1.22","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206475","8.52","0.002","12.646","0.003","12.917","0.003","90","","90","","90","","1391.7","0.6","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1R,4R)-(+)-3-benzoylcamphor","(+)-(1R,4R)-3-(hydroxy-benzylidene)-1,7,7-trimethyl- bicyclo[2.2.1]heptan-2-one","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","JH6011","Niemeyer, Mark; Gan, Min","The enol form of (+)-(1<i>R</i>,4<i>R</i>)-3-benzoylcamphor","Acta Crystallographica Section E","2005","61","8","o2363","o2365","10.1107/S1600536805020404","","","0.71073","MoKα","","0.04","0.035","","","0.089","0.092","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206476","24.5562","0.001","9.2464","0.0004","11.9764","0.0005","90","","91.559","0.002","90","","2718.3","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-[(Dimethylamino)(phenyl)methyl]benzoic acid","[(2-carboxylatophenyl)(phenyl)methyl]-N,N-dimethylammonium","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C128 H136 N8 O16 -","8","1","JH6012","Yvette L. Dann; Andrew R. Cowley; Harry L. Anderson","2-[(Dimethylamino)(phenyl)methyl]benzoic acid","Acta Crystallographica Section E","2005","61","8","o2502","o2503","10.1107/S1600536805021215","","","0.71073","MoKα","","0.1117","0.0505","","0.1188","0.0582","0.0582","","","","","","1.1413","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206477","10.2783","0.0011","11.4013","0.0011","11.593","0.0012","90","","90","","90","","1358.5","0.2","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-Isopropyl-5,5-dimethyl-2-(phenylimino)imidazolidin-4-one","","- C14 H19 N3 O -","- C14 H19 N3 O -","- C56 H76 N12 O4 -","4","1","KP6052","Ju-Zhen Yuan; Yang-Gen Hu; Jia-Jia Wei; Ming-Wu Ding","(<i>E</i>)-3-Isopropyl-5,5-dimethyl-2-(phenylimino)imidazolidin-4-one","Acta Crystallographica Section E","2005","61","8","o2640","o2641","10.1107/S1600536805022749","","","0.71073","MoKα","","0.0428","0.0389","","","0.1002","0.1027","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206478","9.7926","0.0004","14.6633","0.0007","11.6359","0.0004","90","","100.576","0.002","90","","1642.44","0.12","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-3-Methoxyacetophenone 2,4,6-trinitrophenylhydrazone","","- C15 H13 N5 O7 -","- C15 H13 N5 O7 -","- C60 H52 N20 O28 -","4","1","KP6053","Zheng Fan; Shang Shan; Duan-Jun Xu","(<i>E</i>)-3-Methoxyacetophenone 2,4,6-trinitrophenylhydrazone","Acta Crystallographica Section E","2005","61","8","o2758","o2760","10.1107/S1600536805023949","","","0.71073","MoKα","","0.087","0.052","","","0.121","0.134","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206479","9.713","0.002","12.025","0.003","35.703","0.003","90","","94.23","0.03","90","","4158.7","1.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trimethoprim dipicolinate pentahydrate","(2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium dipicolinate pentahydrate","","- C35 H51 N9 O15 -","- C35 H51 N9 O15 -","- C140 H204 N36 O60 -","4","1","LH6416","Madhukar Hemamalini; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni","Hydrogen-bonding patterns in bis(trimethoprim) dipicolinate pentahydrate","Acta Crystallographica Section E","2005","61","8","o2368","o2371","10.1107/S1600536805020167","","","0.71069","MoKa","","0.1425","0.0574","","","0.1294","0.1595","","","","","","0.958","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206480","10.212","0.003","10.051","0.002","16.611","0.003","90","","90","","90","","1705","0.7","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Propyl 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine-1-carboxylate","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","LH6426","Guo-Wu Rao; Wei-Xiao Hu","Propyl 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine-1-carboxylate","Acta Crystallographica Section E","2005","61","8","o2431","o2432","10.1107/S1600536805019653","","","0.71073","MoKα","","0.0835","0.0356","","","0.0895","0.1055","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206481","14.4162","0.0016","8.5691","0.001","17.0016","0.0019","90","","105.365","0.001","90","","2025.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Azido-3,3-dimethyl-2-oxo-1-thia-4,6-diazaindan 1,1-dioxide","","- C7 H7 N5 O3 S -","- C7 H7 N5 O3 S -","- C56 H56 N40 O24 S8 -","8","1","LH6452","Li Tian; Da-Xiang Wang","5-Azido-3,3-dimethyl-2-oxo-1-thia-4,6-diazaindan 1,1-dioxide","Acta Crystallographica Section E","2005","61","8","o2518","o2519","10.1107/S1600536805021781","","","0.71073","MoKα","","0.0336","0.0297","","","0.0838","0.0871","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206482","5.57","0.002","7.943","0.003","22.953","0.007","82.82","0.03","85.05","0.03","89.55","0.03","1003.8","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","1,10-Bis(phenylthio)decane","","- C22 H30 S2 -","- C22 H30 S2 -","- C44 H60 S4 -","2","1","LH6453","Awaleh, Mohamed Osman; Badia, Antonnella; Brisse, François","1,10-Bis(phenylsulfanyl)decane","Acta Crystallographica Section E","2005","61","8","o2473","o2475","10.1107/S1600536805020180","","","1.54178","CuKα","","0.0701","0.0499","","","0.1374","0.1465","","","","","","0.914","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206483","6.7577","0.0019","8.799","0.003","9.89","0.004","83.17","0.04","76.17","0.03","71.1","0.03","539.7","0.3","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","3-[(Z)-1-hydroxy-3-oxobutenyl]-2H-chromen-2-one","","- C13 H10 O4 -","- C13 H10 O4 -","- C26 H20 O8 -","2","1","LH6456","Xiangshan Wang; Zhaosen Zeng; Yuling Li; Daqing Shi","Redetermination of 3-[(<i>Z</i>)-1-hydroxy-3-oxobutenyl]-2<i>H</i>-chromen-2-one at 193 K","Acta Crystallographica Section E","2005","61","8","o2599","o2601","10.1107/S1600536805022361","","","0.7107","MoKα","","0.0776","0.0583","","","0.1526","0.1703","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206484","5.8654","0.0001","7.5638","0.0001","14.0472","0.0002","90","","97.6","0.001","90","","617.726","0.016","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(phenylthio)ethane","","- C14 H14 S2 -","- C14 H14 S2 -","- C28 H28 S4 -","2","0.5","LH6460","Awaleh, Mohamed Osman; Badia, Antonnella; Brisse, François","1,2-Bis(phenylsulfanyl)ethane","Acta Crystallographica Section E","2005","61","8","o2479","o2481","10.1107/S1600536805020192","","","1.54178","CuKα","","0.0379","0.0361","","","0.1055","0.1074","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206485","5.627","0.002","7.862","0.003","18.486","0.006","94.55","0.03","91.36","0.03","90.46","0.03","815","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","1,6-Bis(phenylsulfanyl)hexane","","- C18 H22 S2 -","- C18 H22 S2 -","- C36 H44 S4 -","2","1","LH6461","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","1,6-Bis(phenylsulfanyl)hexane","Acta Crystallographica Section E","2005","61","8","o2476","o2478","10.1107/S1600536805020465","","","1.54178","CuKα","","0.1076","0.0359","","","0.0584","0.0684","","","","","","0.663","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206486","4.783","0.0005","21.54","0.002","7.7599","0.0008","90","","105.911","0.002","90","","768.84","0.13","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","α-lactose monohydrate","α-4-O-(β-D-galactopyranosido)-D-glucopyranose","","- C12 H24 O12 -","- C12 H24 O12 -","- C24 H48 O24 -","2","1","LH6465","Smith, Joanne H.; Dann, Sandra E.; Elsegood, Mark R. J.; Dale, Sophie H.; Blatchford, Chris. G","α-Lactose monohydrate: a redetermination at 150 K","Acta Crystallographica Section E","2005","61","8","o2499","o2501","10.1107/S1600536805021367","","","0.71073","MoKα","","0.0385","0.0332","","","0.0762","0.0788","","","","","","1.104","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206487","21.6122","0.0008","5.0393","0.0002","12.7868","0.0005","90","","90","","90","","1392.61","0.09","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Nitrobenzaldehyde 2-iodobenzoylhydrazone","","- C14 H10 I N3 O3 -","- C14 H10 I N3 O3 -","- C56 H40 I4 N12 O12 -","4","1","LH6467","Glidewell, Christopher; Low, John N.; Wardell, James L.","2-Nitrobenzaldehyde 2-iodobenzoylhydrazone","Acta Crystallographica Section E","2005","61","8","o2438","o2440","10.1107/S1600536805021355","","","0.71073","MoKα","","0.0306","0.0257","","","0.0514","0.0535","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206488","8.6831","0.0004","9.8249","0.0005","9.6824","0.0005","90","","110.766","0.002","90","","772.35","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2,3-Tri-O-acetyl-5-deoxy-5-methylthio-β-D-ribofuranose","","- C12 H18 O7 S -","- C12 H18 O7 S -","- C24 H36 O14 S2 -","2","1","LH6468","Jeckelmann, Jean-Marc; Lüthi Nyffeler, Therese; Altmann, Michael; Bürgi, Hans-Beat; Renaud, Philippe; Hauser, Jürg","1,2,3-Tri-<i>O</i>-acetyl-5-deoxy-5-methylthio-β-<small>D</small>-ribofuranose","Acta Crystallographica Section E","2005","61","8","o2689","o2690","10.1107/S1600536805022683","","","0.71073","MoKα","","0.0516","0.0351","","","0.0802","0.0866","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206489","6.748","0.0013","6.9559","0.0013","23.45","0.004","90","","90","","90","","1100.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Synepherine hydrochloride","2-hydroxy-2-(4-hydroxyphenyl)-N-methylethanaminium chloride","","- C9 H14 Cl N O2 -","- C9 H14 Cl N O2 -","- C36 H56 Cl4 N4 O8 -","4","1","LH6469","Muhammad Sajid; M. Iqbal Choudhary; Atta-ur-Rahman; Masood Parvez; Ietidal Eltahir Mohamed; Shazia Anjum","Absolute configuration of (<i>R</i>)-synephrine hydrochloride","Acta Crystallographica Section E","2005","61","8","o2534","o2536","10.1107/S160053680502180X","","","0.71073","MoKα","","0.097","0.067","","","0.109","0.12","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206490","8.256","0.003","10.219","0.005","11.053","0.005","90","","111.09","0.002","90","","870.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tert-Butylamidodichlorophosphine oxide","tert-Butylamidodichlorophosphine oxide","","- C4 H10 Cl2 N O P -","- C4 H10 Cl2 N O P -","- C16 H40 Cl8 N4 O4 P4 -","4","1","LH6470","Chivers, Tristram; Grebinski, James; Parvez, Masood; Fu, Zhiyong","<i>tert</i>-Butylamidodichlorophosphine oxide","Acta Crystallographica Section E","2005","61","8","o2491","o2492","10.1107/S1600536805021495","","","0.71073","MoKα","","0.078","0.059","","","0.155","0.165","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206491","9.5877","0.0005","9.8541","0.0005","11.705","0.0004","105.982","0.002","103.57","0.002","108.433","0.002","943.75","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-tert-butyl-4-(4-nitrophenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine","","- C22 H20 N4 O2 -","- C22 H20 N4 O2 -","- C44 H40 N8 O4 -","2","1","LH6471","Abonia, Rodrigo; Rengifo, Emerson; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-<i>tert</i>-Butyl-4-(4-nitrophenyl)-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","Acta Crystallographica Section E","2005","61","8","o2625","o2627","10.1107/S160053680502177X","","","0.71073","MoKα","","0.1093","0.0572","","","0.1176","0.1368","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206492","7.7798","0.0001","11.0645","0.0002","15.4006","0.0003","85.256","0.001","82.988","0.001","88.068","0.001","1310.88","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorobis[(phenylsulfanyl)methane-κS]palladium(II)","","- C26 H24 Cl2 Pd S4 -","- C26 H24 Cl2 Pd S4 -","- C52 H48 Cl4 Pd2 S8 -","2","1","LH6472","Awaleh, Mohamed Osman; Badia, Antonnella; Brisse, François","<i>trans</i>-Dichlorobis[(phenylsulfanyl)methane-κ<i>S</i>]palladium(II)","Acta Crystallographica Section E","2005","61","8","m1586","m1587","10.1107/S160053680502235X","","","1.54178","CuKα","","0.0428","0.0399","","","0.1045","0.1061","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206493","10.4449","0.0004","10.912","0.0005","20.9707","0.0009","81.311","0.001","80.278","0.001","73.004","0.001","2239.76","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis[(dimethyl sulfoxide)zinc(II)]-di-μ~4~-benzene-1,4-dicarboxylato] dimethyl sulfoxide pentasolvate]","","- C30 H50 O15 S7 Zn2 -","- C30 H50 O15 S7 Zn2 -","- C60 H100 O30 S14 Zn4 -","2","1","LH6473","Yang, Shi-Yao; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","Poly[[bis[(dimethyl sulfoxide)zinc(II)]-di-μ~4~-benzene-1,4-dicarboxylato] dimethyl sulfoxide pentasolvate]","Acta Crystallographica Section E","2005","61","8","m1671","m1673","10.1107/S1600536805023986","","","0.71073","MoKα","","0.049","0.045","","","0.118","0.121","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206495","3.605","0.002","9.445","0.004","9.653","0.004","90","","90","","90","","328.7","0.3","297","1","297","1","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al2 O5 Ti -","- Al2 O5 Ti -","- Al8 O20 Ti4 -","4","0.25","MG6041","Stefan T. Norberg; Nobuo Ishizawa; Stefan Hoffmann; Masahiro Yoshimura","Redetermination of β-Al~2~TiO~5~ obtained by melt casting","Acta Crystallographica Section E","2005","61","8","i160","i162","10.1107/S1600536805021331","","","0.71073","MoKα","","0.03","0.028","","0.029","0.028","0.028","","","1.093","","","1.112","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206496","18.012","0.005","5.356","0.005","12.937","0.005","90","","108.786","0.005","90","","1181.6","1.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N4 O5 -","- C9 H12 N4 O5 -","- C36 H48 N16 O20 -","4","1","NC6036","Joussef, Antonio C.; Silva, Liuz Everson da; Bortoluzzi, Adailton J.; Foro, Sabine","2,2-Dimethyl-5-(4<i>H</i>-1,2,4-triazol-4-ylaminomethylene)-1,3-dioxane-4,6-dione monohydrate","Acta Crystallographica Section E","2005","61","8","o2642","o2643","10.1107/S1600536805022750","","","0.71069","MoKα","","0.0689","0.0379","","","0.0908","0.1029","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206497","18.363","0.004","5.2852","0.0014","12.509","0.002","90","","90","","90","","1214","0.5","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(2-Chloroanilino)acetophenone","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","NC6038","Anilkumar, Haleyur G.; Yathirajan, Hemmige S.; Nagaraja, Padmarajaiah; Bolte, Michael","(2-Chloroanilino)acetophenone","Acta Crystallographica Section E","2005","61","8","o2551","o2552","10.1107/S1600536805022051","","","0.71073","MoKα","","0.0615","0.05","","","0.1341","0.1457","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206498","6.9881","0.0006","8.9148","0.0006","16.6251","0.001","98.91","0.005","95.882","0.006","112.244","0.006","932.24","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Dimethylpiperazinium(2+) bis[methylenehydrogendiphosphonate(1-)]","","- C8 H26 N2 O12 P4 -","- C8 H26 N2 O12 P4 -","- C16 H52 N4 O24 P8 -","2","1","NC6040","Yuan, Zhan-Hui; Clegg, William","<i>N</i>,<i>N</i>'-Dimethylpiperazinium(2+) bis[methylenehydrogendiphosphonate(1{-})]","Acta Crystallographica Section E","2005","61","8","o2635","o2637","10.1107/S1600536805022737","","","0.71073","MoKα","","0.0344","0.0276","","","0.0711","0.0746","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206499","8.7063","0.0012","14.7402","0.0016","24.965","0.002","90","","90","","90","","3203.8","0.6","292","1","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-Poly[[[(acetonitrile-κN)silver(I)]-μ-[bis(pyrimidin-2- ylsulfanyl)methane-κ^2^N^1^:N^1'^] tetrafluoroborate]","","- C11 H11 Ag B F4 N5 S2 -","- C11 H11 Ag B F4 N5 S2 -","- C88 H88 Ag8 B8 F32 N40 S16 -","8","1","NG6148","Hou, Bao-Hong; Zhou, Li-Na; Wei, Hong-Yuan; Wang, Jing-Kang; Chen, Wei","<i>catena</i>-Poly[[[(acetonitrile-κ<i>N</i>)silver(I)]-μ-bis(pyrimidin-2-ylsulfanyl)methane-κ^2^<i>N</i>^1^:<i>N</i>^1'^] tetrafluoroborate]","Acta Crystallographica Section E","2005","61","8","m1658","m1659","10.1107/S1600536805019288","","","0.71073","MoKα","","0.0696","0.0431","","","0.1059","0.1273","","","","","","1.181","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206500","6.5799","0.0006","27.775","0.003","7.0321","0.0006","90","","103.19","0.004","90","","1251.3","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-N,N'-bis(pyridin-4-ylmethylene)hydrazine- bis[diaqua(iminodiacetato)copper(II)]","","- C20 H28 Cu2 N6 O12 -","- C20 H28 Cu2 N6 O12 -","- C40 H56 Cu4 N12 O24 -","2","0.5","NG6155","Kundu, Nabanita; Chatterjee, Pabitra Baran; Chaudhury, Muktimoy; Tiekink, Edward R. T.","A binuclear iminodiacetato‒copper(II) complex with the <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethylene)hydrazine ligand as spacer","Acta Crystallographica Section E","2005","61","8","m1583","m1585","10.1107/S1600536805021549","","","0.71069","MoKα","","0.076","0.047","","","0.105","0.116","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206501","10.328","0.001","7.732","0.001","23.656","0.002","90","","114.38","0.01","90","","1720.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[N,N'-Bis(3-methylsalicylidene)propane-1,3-diaminato]copper(II)","","- C19 H20 Cu N2 O2 -","- C19 H20 Cu N2 O2 -","- C76 H80 Cu4 N8 O8 -","4","1","NG6159","You, Zhong-Lu","[<i>N</i>,<i>N</i>'-Bis(3-methylsalicylidene)propane-1,3-diaminato]copper(II)","Acta Crystallographica Section E","2005","61","8","m1559","m1560","10.1107/S1600536805021823","","","0.71073","MoKα","","0.1257","0.0666","","","0.1453","0.1749","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206502","8.2351","0.0003","25.3931","0.0008","8.654","0.0003","90","","104.851","0.001","90","","1749.23","0.1","295","3","295","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(1H-imidazole-κN^3^)(thiodiacetato-κ^3^O,S,O')nickel(II) monohydrate","","- C13 H18 N6 Ni O5 S -","- C13 H18 N6 Ni O5 S -","- C52 H72 N24 Ni4 O20 S4 -","4","1","NG6161","Tian-Tian Pan; Jian-Rong Su; Duan-Jun Xu","Tris(1<i>H</i>-imidazole-κ<i>N</i>^3^)(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')nickel(II) monohydrate","Acta Crystallographica Section E","2005","61","8","m1576","m1578","10.1107/S160053680502194X","","","0.71073","MoKα","","0.06","0.049","","","0.107","0.111","","","","","","1.177","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206503","15.0412","0.0001","12.5376","0.0001","23.243","0.0002","90","","103.191","0.001","90","","4267.53","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Nonacarbonyl-μ~3~N,N-diethyldithiocarbamato-κ^3^S:S:S'-μ-hydrido- triosmium(3 Os—Os)","","- C14 H11 N O9 Os3 S2 -","- C14 H11 N O9 Os3 S2 -","- C112 H88 N8 O72 Os24 S16 -","8","2","NG6168","Garcia-Orozco, Ivan; Pastor, Cesar J.; Souto, Beatriz; Delgado, Esther; Hernández, Elisa; Alvarez-Toledano, Cecilio","Nonacarbonyl-μ~3~-<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>'-μ-hydrido-triosmium(3 <i>Os</i>—<i>Os</i>)","Acta Crystallographica Section E","2005","61","8","m1644","m1645","10.1107/S160053680502338X","","","1.54178","CuKα","","0.0298","0.0283","","","0.0658","0.0668","","","","","","1.18","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206504","5.7135","0.0005","12.6191","0.001","17.1549","0.0014","90","","90","","90","","1236.86","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methylphenyl benzyl sulfone","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","1","OB6530","Yong-Shu Li; Wei-Ke Su","4-Methylphenyl benzyl sulfone","Acta Crystallographica Section E","2005","61","8","o2450","o2451","10.1107/S1600536805021434","","","0.71073","MoKα","","0.0348","0.0332","","","0.0847","0.0857","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206505","8.652","0.002","19.808","0.009","20.934","0.004","90","","90","","90","","3588","2","295","2","295","2","","","","","","","","5","F 2 d d","F -2d 2","43","","","","- C5 H11 N O5 S -","- C5 H11 N O5 S -","- C80 H176 N16 O80 S16 -","16","1","OB6532","Wei Zhou; Chun-Nian Xia; Wen Feng; Wei-Xiao Hu","2-Methyl-2-nitropropyl methanesulfonate","Acta Crystallographica Section E","2005","61","8","o2523","o2524","10.1107/S160053680501799X","","","0.71073","MoKα","","0.0319","0.027","","","0.0747","0.0781","","","","","","1.143","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206506","4.01","0.001","14.829","0.005","6.111","0.002","90","","93.274","0.002","90","","362.79","0.19","123.1","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C7 H4 Br2 O -","- C7 H4 Br2 O -","- C14 H8 Br4 O2 -","2","0.5","OB6539","Kubo, Kanji; Matsumoto, Taisuke; Mori, Akira","2,7-Dibromo-2,4,6-cycloheptatrien-1-one (2,7-dibromotropone)","Acta Crystallographica Section E","2005","61","8","o2542","o2544","10.1107/S1600536805020210","","","0.7107","MoKα","","","0.019","","","","0.047","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206507","17.9107","0.0008","11.2522","0.0003","18.9011","0.0007","90","","121.181","0.001","90","","3258.9","0.2","295","1","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N5 -","- C17 H19 N5 -","- C136 H152 N40 -","8","1","OB6540","Tang, Gu-Ping; Gu, Jian-Ming","2-[3-(2-Cyano-2-propyl)-5-(1,2,4-triazol-1-yl)phenyl]-2-methylpropiononitrile","Acta Crystallographica Section E","2005","61","8","o2330","o2331","10.1107/S1600536805020143","","","0.7107","MoKα","","","0.063","","","","0.203","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206508","8.3372","0.0008","9.0754","0.0008","10.1261","0.0009","99.709","0.001","114.142","0.001","104.871","0.001","642.4","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(2-thiopyridone)platinum(II) dichloride","","- C20 H20 Cl2 N4 Pt S4 -","- C20 H20 Cl2 N4 Pt S4 -","- C20 H20 Cl2 N4 Pt S4 -","1","0.5","OB6541","Mizota, Mina; Yokoyama, Yoshimi; Sakai, Ken","Tetrakis[pyridine-2(1<i>H</i>)-thione-κ<i>S</i>]platinum(II) dichloride","Acta Crystallographica Section E","2005","61","8","m1433","m1435","10.1107/S1600536805020209","","","0.71073","MoKα","","0.0192","0.0186","","","0.0407","0.0408","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206509","9.9393","0.0011","12.778","0.0014","13.989","0.0015","64.306","0.008","80.219","0.009","87.01","0.009","1577.3","0.3","93.1","","","","","","","","","","","4","P -1","-P 1","2","","n-Propyl gallate‒chloroform (3/0.5)","","- C30.5 H36.5 Cl1.5 O15 -","- C30.5 H36.5 Cl1.5 O15 -","- C61 H73 Cl3 O30 -","2","1","OB6542","Iwata, Shohei; Hitachi, Akio; Makino, Takashi; Mizuguchi, Jin","<i>n</i>-Propyl gallate‒chloroform (3/0.5)","Acta Crystallographica Section E","2005","61","8","o2587","o2589","10.1107/S1600536805022154","","","1.5418","CuKα","","","0.063","","","","0.201","","","","","","1.428","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2206510","8.5884","0.0011","11.3727","0.0013","12.553","0.0014","67.648","0.009","74.069","0.01","81.488","0.011","1089.1","0.2","93.1","","","","","","","","","","","4","P -1","-P 1","2","","n-Propyl gallate‒acetonitrile (2/1)","","- C22 H27 N O10 -","- C22 H27 N O10 -","- C44 H54 N2 O20 -","2","1","OB6543","Mizuguchi, Jin; Hitachi, Akio; Iwata, Shohei; Makino, Takashi","<i>n</i>-Propyl gallate‒acetonitrile (2/1)","Acta Crystallographica Section E","2005","61","8","o2593","o2595","10.1107/S1600536805022166","","","1.5418","CuKα","","","0.0471","","","","0.1339","","","","","","1.888","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206511","9.9439","0.0012","12.8538","0.0016","13.841","0.0017","63.311","0.01","80.168","0.011","86.706","0.011","1557","0.4","93.1","","","","","","","","","","","4","P -1","-P 1","2","","n-Propyl gallate‒dichloromethane (3/0.5)","","- C30.5 H37 Cl O15 -","- C30.5 H37 Cl O15 -","- C61 H74 Cl2 O30 -","2","1","OB6544","Hitachi, Akio; Makino, Takashi; Iwata, Shohei; Mizuguchi, Jin","<i>n</i>-Propyl gallate‒dichloromethane (3/0.5)","Acta Crystallographica Section E","2005","61","8","o2590","o2592","10.1107/S1600536805022178","","","1.5418","CuKα","","","0.045","","","","0.134","","","","","","1.051","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2206512","20.843","0.003","11.964","0.001","9.983","0.001","90","","90","","90","","2489.4","0.5","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","catena-Poly[[[tripyridinecopper(II)]-μ-m-phenylenedioxydiacetato] monohydrate]","","- C25 H25 Cu N3 O7 -","- C25 H25 Cu N3 O7 -","- C100 H100 Cu4 N12 O28 -","4","0.5","OB6545","Hong, Xian-Lan; Li, Yi-Zhi; Jiang, Guo-Qing; Bai, Jun-Feng","<i>catena</i>-Poly[[[tripyridinecopper(II)]-μ-<i>m</i>-phenylenedioxydiacetato] monohydrate]","Acta Crystallographica Section E","2005","61","8","m1556","m1558","10.1107/S1600536805021550","","","0.71073","MoKα","","0.0762","0.0507","","","0.128","0.1318","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206513","9.605","0.0019","10.767","0.002","13.374","0.003","90","","104.36","0.03","90","","1339.9","0.5","288","2","288","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Benzoylmethylene-1-methyl-3,4-dihydroquinoxalin-2(1H)-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","OB6546","Yun Liu; Zhi-Feng Lu; Yong-Miao Shen; Jian-Hua Xu","3-Benzoylmethylene-1-methyl-3,4-dihydroquinoxalin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","8","o2753","o2754","10.1107/S1600536805023664","","","0.71073","MoKα","","0.1004","0.0457","","","0.0958","0.1074","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206514","3.7819","0.0011","5.8314","0.0016","16.754","0.004","94.956","0.016","95.136","0.017","90.66","0.018","366.56","0.17","93.1","","","","","","","","","","","5","P -1","-P 1","2","","2,9-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione","","- C20 H10 Cl2 N2 O2 -","- C20 H10 Cl2 N2 O2 -","- C20 H10 Cl2 N2 O2 -","1","0.5","OB6549","Senju, Takatoshi; Nishimura, Naoko; Hoki, Tomonori; Mizuguchi, Jin","2,9-Dichloro-5,12-dihydroquino[2,3-<i>b</i>]acridine-7,14-dione (red phase)","Acta Crystallographica Section E","2005","61","8","o2596","o2598","10.1107/S1600536805022257","","","1.5418","CuKα","","","0.0564","","","","0.1784","","","","","","1.141","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206515","9.8855","0.0007","9.8856","0.0007","20.3477","0.0014","90","","90","","90","","1988.5","0.2","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2R,2'S)-2-(4-Methylphenylsulfonamido)-1-(pyrrolidine-2'- carboxamido)cyclohexane","","- C18 H27 N3 O3 S -","- C18 H27 N3 O3 S -","- C72 H108 N12 O12 S4 -","4","1","OB6551","Xinyong Li; Jiarong Chen; Xianggao Meng; Wenjing Xiao","(1<i>R</i>,2<i>R</i>,2'<i>S</i>)-2-(4-Methylphenylsulfonamido)-1-(pyrrolidine-2'-carboxamido)cyclohexane","Acta Crystallographica Section E","2005","61","8","o2730","o2732","10.1107/S1600536805023718","","","0.71073","MoKα","","0.0829","0.0562","","","0.0891","0.1006","","","","","","0.945","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206516","8.1512","0.0005","12.4991","0.0006","18.928","0.001","100.708","0.001","96.0057","0.0008","94.896","0.003","1873.59","0.18","295","1","","","","","","","","","","5","P -1","-P 1","2","","4-[4-Dimethylamino-1-(4-fluorophenyl)-1-hydroxybutyl]-3- (hydroxymethyl)benzonitrile","","- C20 H23 F N2 O2 -","- C20 H23 F N2 O2 -","- C80 H92 F4 N8 O8 -","4","2","OB6553","Jian-Ming Gu; Yun-Wu Wang; Xiu-Rong Hu","4-[4-Dimethylamino-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile","Acta Crystallographica Section E","2005","61","8","o2691","o2693","10.1107/S1600536805023032","","","0.7107","MoKα","","","0.056","","","","0.169","","","","","","1.002","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206517","9.0105","0.0009","12.633","0.003","13.717","0.003","64.45","0.03","73.85","0.03","88.61","0.03","1344.8","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","N,N'-Butanedioylbis(5-ferrocenyl-3-methyl-1H-pyrazole)","","- C32 H30 Fe2 N4 O2 -","- C32 H30 Fe2 N4 O2 -","- C64 H60 Fe4 N8 O4 -","2","1","OM6240","Yao-Cheng Shi; Chun-Xia Sui; Hong-Jian Cheng","<i>N</i>,<i>N</i>'-Butanedioylbis(5-ferrocenyl-3-methyl-1<i>H</i>-pyrazole)","Acta Crystallographica Section E","2005","61","8","m1563","m1565","10.1107/S1600536805021768","","","0.71073","MoKα","","0.0772","0.0614","","","0.194","0.2068","","","","","","0.928","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206518","9.58","0.003","10.015","0.001","10.67","0.002","77.38","0.01","85.68","0.02","73.55","0.01","958","0.4","299","2","299","2","","","","","","","","3","P -1","-P 1","2","","trans-4-Phenyl-3-tetrahydropyranol","","- C11 H14 O2 -","- C11 H14 O2 -","- C44 H56 O8 -","4","2","OM6243","Hartung, Jens; Svoboda, Ingrid; Schmidt, Philipp; Fuess, Hartmut","Racemic <i>trans</i>-4-phenylperhydropyran-3-ol","Acta Crystallographica Section E","2005","61","8","o2395","o2397","10.1107/S1600536805020222","","","0.71073","MoKα","","0.1647","0.0616","","","0.1506","0.2084","","","","","","0.903","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206519","8.5227","0.0007","33.412","0.003","12.2415","0.001","90","","93.702","0.002","90","","3478.6","0.5","292","2","292","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl2 Cu2 F2 N6 O13 -","- C25 H38 Cl2 Cu2 F2 N6 O13 -","- C100 H152 Cl8 Cu8 F8 N24 O52 -","4","1","OM6245","Lei Chen; Hong Zhou; Zhiquan Pan; Xuelei Hu; Bo Liu","Bis[μ-4-fluoro-6-hydroxymethyl-2-(2,5,8-triazaoct-1-enyl)phenolato]dicopper(II) bis(perchlorate) methanol solvate","Acta Crystallographica Section E","2005","61","8","m1467","m1469","10.1107/S1600536805020234","","","0.71073","MoKα","","0.0679","0.0466","","","0.0975","0.1037","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206520","25.317","0.005","13.762","0.003","11.542","0.002","90","","114.26","0.03","90","","3666.3","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-(Isothiocyanato-κN)phenylbis(triphenylphosphine-κP)platinum(II)","","- C43 H35 N P2 Pt S -","- C43 H35 N P2 Pt S -","- C172 H140 N4 P8 Pt4 S4 -","4","0.5","OM6249","Otto, Stefanus; Roodt, Andreas","<i>trans</i>-(Isothiocyanato-κ<i>N</i>)phenylbis(triphenylphosphine-κ<i>P</i>)platinum(II)","Acta Crystallographica Section E","2005","61","8","m1545","m1547","10.1107/S1600536805021756","","","0.71073","MoKα","","0.0983","0.0389","","","0.0682","0.0789","","","","","","0.873","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206521","13.878","0.001","13.878","0.001","60.239","0.007","90","","90","","120","","10047.6","1.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","Tetra-μ~3~iodo-tetrakis[(tri-tert-butylphosphine)copper(I)]","","- C48 H108 Cu4 I4 P4 -","- C48 H108 Cu4 I4 P4 -","- C288 H648 Cu24 I24 P24 -","6","0.333333","OM6250","Medina, Iliana; Mague, Joel T.; Fink, Mark J.","Tetra-μ~3~-iodo-tetrakis[(tri-<i>tert</i>-butylphosphine)copper(I)]","Acta Crystallographica Section E","2005","61","8","m1550","m1552","10.1107/S1600536805021744","","","0.71073","MoKα","","0.0318","0.027","","","0.0551","0.0566","","","","","","1.105","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206522","11.7224","0.0009","15.1064","0.0012","15.2183","0.0011","117.583","0.001","95.397","0.002","103.732","0.001","2254.3","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Diaqua-κ^2^O-tris(1,10-phenanthroline)-1κ^2^N,N';2κ^4^N,N'- μ-5-sulfonatoisophthalato-1:2κ^4^O^1^,O^1'^:O^3^,O^3'^-dicopper(II) perchlorate trihydrate","","- C44 H37 Cl Cu2 N6 O16 S -","- C44 H37 Cl Cu2 N6 O16 S -","- C88 H74 Cl2 Cu4 N12 O32 S2 -","2","1","RN6053","Wei-Dong Wang; Xin-Hua Li","Diaqua-κ^2^<i>O</i>-tris(1,10-phenanthroline)-1κ^2^<i>N</i>,<i>N</i>';2κ^4^<i>N</i>,<i>N</i>'-μ-5-sulfonatoisophthalato-1:2κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^-dicopper(II) perchlorate trihydrate","Acta Crystallographica Section E","2005","61","8","m1534","m1536","10.1107/S1600536805021641","","","0.71073","MoKα","","0.0854","0.0651","","","0.1469","0.1583","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206523","8.3481","0.0015","17.667","0.003","9.9401","0.0018","90","","108.86","0.003","90","","1387.3","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Chloro-6-morpholino-1,3,5-triazin-2-yl)aniline","","- C13 H14 Cl N5 O -","- C13 H14 Cl N5 O -","- C52 H56 Cl4 N20 O4 -","4","1","RN6054","Li, Yang; Ding, Li; Zeng, Tao; Li, Jiang-Sheng; Dong, Chuan-Ming; Yan, Xi-Long","<i>N</i>-(4-Chloro-6-morpholino-1,3,5-triazin-2-yl)aniline","Acta Crystallographica Section E","2005","61","8","o2345","o2346","10.1107/S1600536805020040","","","0.71073","MoKα","","0.0742","0.0387","","","0.0875","0.104","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206524","8.1306","0.0009","9.7446","0.0011","15.7357","0.0018","90","","90","","90","","1246.7","0.2","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(2-Methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine","","- C14 H16 N4 -","- C14 H16 N4 -","- C56 H64 N16 -","4","1","RN6056","Jing Cheng; Zuming liu; Guangfu Yang","1-(2-Methylpropyl)-1<i>H</i>-imidazo[4,5-<i>c</i>]quinolin-4-amine","Acta Crystallographica Section E","2005","61","8","o2638","o2639","10.1107/S1600536805022579","","","0.71073","MoKα","","0.0558","0.0467","","","0.1094","0.1149","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206525","12.924","0.004","8.644","0.003","21.25","0.005","90","","103.25","0.02","90","","2310.7","1.2","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Cl4 N3 O6 S2 -","- C16 H21 Cl4 N3 O6 S2 -","- C64 H84 Cl16 N12 O24 S8 -","4","1","RZ6063","Lee, Jianchao; Takahashi, Hiroki; Matsui, Yoshihiko; Hori, Toshitaka","Iminodiethylenediaminium bis(2,5-dichlorobenzenesulfonate)","Acta Crystallographica Section E","2005","61","8","o2403","o2405","10.1107/S1600536805013711","","","0.71073","MoKα","","0.0382","0.0315","","","0.0319","0.0337","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206526","11.838","0.003","14.976","0.003","10.611","0.003","90","","95.996","0.004","90","","1870.9","0.8","294","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(5-((1H-1,2,4-Triazol-1-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)-1-(4- fluorophenyl)ethanone","","- C19 H15 F N6 O S -","- C19 H15 F N6 O S -","- C76 H60 F4 N24 O4 S4 -","4","1","RZ6095","Xu, Liang-Zhong; Li, Kai; Liu, Jin-Hong; Zhou, Kai; Li, Wei-Hua; Hou, Bao-Rong","1-(4-Fluorophenyl)-2-{4-phenyl-5-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-4<i>H</i>-1,2,4-triazol-3-ylsulfanyl}ethanone","Acta Crystallographica Section E","2005","61","8","o2338","o2339","10.1107/S1600536805020301","","","0.71073","MoKα","","0.1004","0.0415","","","0.0813","0.1023","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206527","9.4761","0.0006","10.0886","0.0006","10.5018","0.0006","90","","111.697","0.006","90","","932.85","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-(+)-2-(2-biphenyl-2-yl-1-methylethyl)-4,5-dihydro-1H-imidazolium hydrogen oxalate","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","RZ6096","Giannella, Mario; Gentili, Francesco; Bruni, Bruno; Messori, Luigi; Di Vaira, Massimo","(<i>S</i>)-(+)-2-[2-(Biphenyl-2-yl)-1-methylethyl]-4,5-dihydro-1<i>H</i>-imidazolium hydrogen oxalate","Acta Crystallographica Section E","2005","61","8","o2376","o2378","10.1107/S1600536805020398","","","1.5418","CuKα","","0.0366","0.0346","","","0.0823","0.083","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206528","15.6032","0.0007","15.9227","0.0007","16.3694","0.0007","90","","90","","90","","4066.9","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,5-Dimethyl-7-phenylsulfonyl-5,6-dihydroindolo[2,3-c]benzazepin-12-one","","- C24 H20 N2 O3 S -","- C24 H20 N2 O3 S -","- C192 H160 N16 O24 S8 -","8","2","RZ6097","T. Ravishankar; K. Chinnakali; N. Arumugam; P. C. Srinivasan; Anwar Usman; Hoong-Kun Fun","2,5-Dimethyl-7-phenylsulfonyl-5,6-dihydroindolo[2,3-<i>c</i>]benzazepin-12-one","Acta Crystallographica Section E","2005","61","8","o2410","o2412","10.1107/S1600536805020842","","","0.71073","MoKα","","0.0855","0.0506","","","0.1079","0.1231","","","","","","1.085","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206529","33.177","0.002","9.085","0.0006","16.1712","0.001","90","","111.802","0.001","90","","4525.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-Bromo-2-(4-bromo-2,5-dimethoxybenzyl)-1-phenylsulfonyl-1H-indole","","- C23 H19 Br2 N O4 S -","- C23 H19 Br2 N O4 S -","- C184 H152 Br16 N8 O32 S8 -","8","1","RZ6098","T. Ravishankar; K. Chinnakali; N. Arumugam; P. C. Srinivasan; Anwar Usman; Hoong-Kun Fun","3-Bromo-2-(4-bromo-2,5-dimethoxybenzyl)-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2005","61","8","o2455","o2457","10.1107/S1600536805021574","","","0.71073","MoKα","","0.0995","0.0443","","","0.0952","0.1162","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206530","9.826","0.004","13.596","0.002","11.99","0.005","90","","102.06","0.04","90","","1566.4","1","303","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Acetylsulfanyl)pyridine N-oxide","","- C7 H7 N O3 S -","- C7 H7 N O3 S -","- C56 H56 N8 O24 S8 -","8","2","RZ6099","Samuel Robinson Jebas; Thailampillai Balasubramanian; Balasingh Ravidurai; Sudalaiandi Kumaresan","2-(Acetylsulfanyl)pyridine <i>N</i>-oxide","Acta Crystallographica Section E","2005","61","8","o2677","o2678","10.1107/S1600536805022415","","","0.71073","MoKα","","","0.052","","","","0.1496","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206531","6.7834","0.0014","17.953","0.004","15.247","0.003","90","","92.53","0.03","90","","1855","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(3,4,5-trimethylpyrazol-1-ylmethyl)pyridine","","- C19 H25 N5 -","- C19 H25 N5 -","- C76 H100 N20 -","4","1","RZ6100","Giuseppe Agrifoglio; Arquímedes R. Karam; Edgar L. Catarí; Teresa González; Reinaldo Atencio","2,6-Bis(3,4,5-trimethylpyrazol-1-ylmethyl)pyridine","Acta Crystallographica Section E","2005","61","8","o2613","o2616","10.1107/S1600536805022427","","","0.71073","MoKα","","0.2352","0.0938","","","0.2122","0.2954","","","","","","0.988","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206532","11.002","0.002","15.3","0.003","14.309","0.003","90","","94.28","0.03","90","","2401.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diisothiocyanatotetrakis(1-methyl-1H-imidazole-κN^3^)nickel(II)","","- C18 H24 N10 Ni S2 -","- C18 H24 N10 Ni S2 -","- C72 H96 N40 Ni4 S8 -","4","1","RZ6101","Fa-Qian Liu; Fang-Fang Jian; Guang-Ye Liu; Lu-De Lu; Xu-Jie Yang; Xin Wang","Diisothiocyanatotetrakis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)","Acta Crystallographica Section E","2005","61","8","m1568","m1570","10.1107/S1600536805021987","","","0.71073","MoKα","","0.1188","0.0515","","","0.1369","0.1623","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206533","8.3497","0.0001","23.039","0.0002","21.3683","0.0002","90","","93.342","0.001","90","","4103.6","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[silver(I)-μ~2~-1,1'-dimethyl-2,2'-biimidazole-κN^3^:N^3'^] nitrate 1.167-hydrate methanol 0.33-solvate]","","- C8.33 H13.33 Ag N3 O4.5 -","- C8.33333 H13.3333 Ag N5 O4.5 -","- C100 H160 Ag12 N60 O54 -","12","3","RZ6102","Letitia M. Gruia; Fernande D. Rochon; André L. Beauchamp","<i>catena</i>-Poly[[silver(I)-μ~2~-1,1'-dimethyl-2,2'-biimidazole-κ<i>N</i>^3^:<i>N</i>^3'^] nitrate 1.167-hydrate methanol 0.33-solvate]","Acta Crystallographica Section E","2005","61","8","m1604","m1606","10.1107/S1600536805023044","","","1.54178","CuKα","","0.0635","0.047","","","0.135","0.1447","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2206534","7.181","0.005","8.069","0.005","13.015","0.005","90","","90","","90","","754.1","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,5-Dimethoxycyclopent-4-ene-1,2,3-trione","","- C7 H6 O5 -","- C7 H6 O5 -","- C28 H24 O20 -","4","1","RZ6103","Chen, Hong-Yu; Fang, Qi; Xue, Gang; Yu, Wen-Tao","4,5-Dimethoxycyclopent-4-ene-1,2,3-trione","Acta Crystallographica Section E","2005","61","8","o2696","o2698","10.1107/S1600536805023068","","","0.71069","MoKα","","0.0883","0.0404","","","0.0905","0.1171","","","","","","0.944","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206535","10.658","0.002","17.943","0.004","16.618","0.006","90","","116.72","0.02","90","","2838.6","1.4","273","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[(diphenylphosphino)acetato-κ^2^O,P]palladium(II) dichloromethane solvate","","- C29 H26 Cl2 O4 P2 Pd -","- C29 H26 Cl2 O4 P2 Pd -","- C116 H104 Cl8 O16 P8 Pd4 -","4","1","RZ6104","Mengping Guo; Fangfang Jian; Ren He; Hailian Xiao","Bis[(diphenylphosphino)acetato-κ^2^<i>O</i>,<i>P</i>]palladium(II) dichloromethane solvate","Acta Crystallographica Section E","2005","61","8","m1635","m1636","10.1107/S160053680502341X","","","0.71073","MoKα","","0.0565","0.0483","","","0.0943","0.0975","","","","","","1.172","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206536","7.264","0.004","5.317","0.003","24.239","0.015","90","","93.158","0.01","90","","934.8","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis[2-(diethylamino)ethyl]dithiooxalamide","","- C14 H30 N4 S2 -","- C14 H30 N4 S2 -","- C28 H60 N8 S4 -","2","0.5","RZ6106","Cui, Jian-Zhong; Zhang, Dan; Song, Li-Hui; Cheng, Peng; Liao, Dai-Zheng; Wang, Geng-Lin","<i>N</i>,<i>N</i>'-Bis[2-(diethylamino)ethyl]dithiooxalamide","Acta Crystallographica Section E","2005","61","8","o2714","o2715","10.1107/S1600536805023457","","","0.71073","MoKα","","0.1616","0.0682","","","0.1673","0.2144","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206537","13.7005","0.0002","6.0509","0.0001","15.1789","0.0001","90","","103.155","0.001","90","","1225.31","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Benzoic acid derivative","2-(2-phenylethyl)benzoic acid","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","RZ6107","Anilkumar, H. G.; Yathirajan, H. S.; Narasimhamurthy, T.; Vijay, T.; Rathore, R. S.","Intermolecularly associated carboxylic acid dimers in the supramolecular assembly of 2-(2-phenylethyl)benzoic acid","Acta Crystallographica Section E","2005","61","8","o2704","o2705","10.1107/S1600536805023329","","","0.71073","MoKα","","0.0468","0.0381","","","0.108","0.1136","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206538","9.618","0.002","10.905","0.002","13.03","0.002","79.16","0.02","87.389","0.01","81.635","0.01","1327.7","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Cr2-dibenzoylmethane","Di-μ-methoxo-κ^4^O:O-bis[bis(1,3-diphenylpropane-1,3-dionato- κ^2^O,O')chromium(III)]","","- C62 H50 Cr2 O10 -","- C62 H50 Cr2 O10 -","- C62 H50 Cr2 O10 -","1","0.5","RZ6108","Abbati, Gian Luca","Di-μ-methoxo-κ^4^<i>O</i>:<i>O</i>-bis[bis(1,3-diphenylpropane-1,3-dionato- κ^2^<i>O</i>,<i>O</i>')chromium(III)]","Acta Crystallographica, Section E","2005","61","8","o1655","o1657","10.1107/S1600536805023469","","","0.71073","MoKα","","0.1962","0.0553","","","0.1364","0.1927","","","","","","0.943","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2206539","10.1669","0.0016","10.9425","0.0016","13.651","0.0012","74.001","0.01","77.008","0.011","88.039","0.013","1421.9","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","2,3a-trans-1,3a-cis-1,2-Bis(4-chlorophenyl)-1',2',3'-trihydro-3a-hydroxy- benzo[e]bicyclo[3.3]octane-3-spiro-2'-indene-1'-one acetone solvate","","- C35 H30 Cl2 O3 -","- C35 H30 Cl2 O3 -","- C70 H60 Cl4 O6 -","2","1","RZ6109","Zheng-Yi Li; Da-Qing Shi; Chun-Ling Shi; Guo-Lan Dou","2,3a-<i>trans</i>-1,3a-<i>cis</i>-1,2-Bis(4-chlorophenyl)-1',2',3'-trihydro-3a-hydroxybenzo[<i>e</i>]bicyclo[3.3]octane-3-spiro-2'-indene-1'-one acetone solvate","Acta Crystallographica Section E","2005","61","8","o2709","o2711","10.1107/S1600536805023421","","","0.7107","MoKα","","0.0608","0.0473","","","0.1076","0.1148","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206540","33.0359","0.0002","33.0359","0.0002","9.0191","0.0003","90","","90","","120","","8524.4","0.3","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43.22 H30.44 N8 O3.22 Zn -","- C43.22 H30.44 N8 O3.22 Zn -","- C388.98 H273.96 N72 O28.98 Zn9 -","9","0.5","SG6017","Sumod George; Israel Goldberg","[5,10,15,20-Tetrakis(4-pyridyl)porphyrinato]zinc(II) acetic acid clathrate, and its unique polymeric honeycomb architecture","Acta Crystallographica Section E","2005","61","8","m1441","m1443","10.1107/S1600536805018556","","","0.71073","MoKα","","0.0898","0.0546","","","0.1447","0.1646","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206541","8.1029","0.0008","14.0352","0.0014","15.6679","0.0015","90","","100.503","0.002","90","","1752","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(diisopropylamino)(1-indenyl)(isopropylamino)borane","(diisopropylamino)(1-indenyl)(isopropylamino)borane","","- C18 H29 B N2 -","- C18 H29 B N2 -","- C72 H116 B4 N8 -","4","1","SG6019","Braunschweig, Holger; Breitling, Frank Michael; Seeler, Fabian","<i>rac</i>-(Diisopropylamino)(1-indenyl)(isopropylamino)borane","Acta Crystallographica Section E","2005","61","8","o2343","o2344","10.1107/S1600536805019896","","","0.71073","MoKα","","0.0592","0.0452","","","0.1059","0.1138","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206542","5.3736","0.0002","7.0394","0.0003","15.191","0.0007","90","","90","","90","","574.63","0.04","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","cyclohexanone","","- C6 H10 O -","- C6 H10 O -","- C24 H40 O4 -","4","1","SJ6089","Howard A. Shallard-Brown; David J. Watkin; Andrew R. Cowley","Cyclohexanone at 150K","Acta Crystallographica Section E","2005","61","8","o2424","o2425","10.1107/S1600536805015977","","","0.71073","MoKα","","0.052","0.0462","","0.1189","0.1136","0.1189","","","","","","1.0183","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206543","12.5267","0.0006","17.2768","0.0008","13.8644","0.0007","90","","90","","90","","3000.6","0.3","150","1","150","1","","","","","","","","6","C m c 21","C 2c -2","36","","Tris(ethylenediamine)cobalt(III) nonaiododibismuthate","","- C6 H24 Bi2 Co I9 N6 -","- C6 H24 Bi2 Co I9 N6 -","- C24 H96 Bi8 Co4 I36 N24 -","4","0.5","SJ6094","Goforth, Andrea M.; Hipp, Rachael E.; Smith, Mark D.; Peterson Jr, LeRoy; zur Loye, Hans-Conrad","Tris(ethylenediamine)cobalt(III) nonaiododibismuthate","Acta Crystallographica Section E","2005","61","8","m1531","m1533","10.1107/S1600536805021501","","","0.71073","Mo-Kα","","0.0315","0.0304","","","0.0703","0.0708","","","","","","1.039","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206544","6.744","0.002","6.988","0.002","19.377","0.003","90","","93.19","0.03","90","","911.8","0.4","296","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ent-3β-hydroxy-8(17),13(14)-labdadiene-16,15-olide 14-deoxyandrographolide","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","SJ6106","Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Cantoni, Andrea; Pramanick, Swapan; Banerjee, Sukdeb; Mukhopadhyay, Sibabrata","Redetermination of 14-deoxyandrographolide","Acta Crystallographica Section E","2005","61","8","o2743","o2745","10.1107/S1600536805023378","","","0.71069","MoKα","","0.0513","0.0416","","","0.1076","0.1119","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206545","8.0414","0.0008","8.7014","0.0008","14.3196","0.0014","87.205","0.002","88.374","0.002","84.521","0.002","995.92","0.17","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Diethyl cis-1,2,3,4,5,10-hexahydro-6-iodo-1,4-dioxo-2,3,4a,10a- tetraazabenzo[g]cyclopent[cd]azulene-2a,10b-dicarboxylate","","- C18 H19 I N4 O6 -","- C18 H19 I N4 O6 -","- C36 H38 I2 N8 O12 -","2","1","SJ6107","Yun-Feng Chen; Bao-Han Zhou; Guo-Dong Yin; An-Xin Wu","Diethyl <i>cis</i>-1,2,3,4,5,10-hexahydro-6-iodo-1,4-dioxo-2,3,4a,10a-tetraazabenzo[<i>g</i>]cyclopent[<i>cd</i>]azulene-2a,10b-dicarboxylate","Acta Crystallographica Section E","2005","61","8","o2470","o2472","10.1107/S1600536805021513","","","0.71073","MoKα","","0.0466","0.042","","","0.1118","0.1171","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206546","7.6131","0.0007","10.3234","0.001","11.7736","0.0011","105.837","0.002","103.79","0.002","97.422","0.002","845.65","0.14","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetylacetonato-κ^2^O,O')(N,N-dimethylaminoethanol-κ^2^N,O)zinc(II)","","- C14 H25 N O5 Zn -","- C14 H25 N O5 Zn -","- C28 H50 N2 O10 Zn2 -","2","1","SJ6108","Hamid, Mazhar; Mazhar, Muhammad; Ali, Asif; Zeller, Matthias; Hunter, Allen D.","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>-dimethylaminoethanol-κ^2^<i>N</i>,<i>O</i>)zinc(II)","Acta Crystallographica Section E","2005","61","8","m1539","m1541","10.1107/S1600536805021161","","","0.71073","Mo-Kα","","0.0494","0.0472","","","0.129","0.1313","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206547","32.131","0.004","9.7172","0.0013","18.918","0.002","90","","90","","90","","5906.6","1.2","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Bis[2-(benzoimidazol-2-yl)phenolato-κ^2^N,O]zinc(II)‒ bis[5-amino-2-(benzoimidazol-2-yl)phenolato-κ^2^N,O]zinc(II)‒ethanol‒water (0.56/0.44/2/0.5)","","- C30 H31.88 N4.88 O4.5 Zn -","- C30 H31.88 N4.88 O4.5 Zn -","- C240 H255.04 N39.04 O36 Zn8 -","8","1","SJ6110","Tong, Yi-Ping","Bis[2-(benzimidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]zinc(II)‒bis[5-amino-2-(benzimidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]zinc(II)‒ethanol‒water (0.56/0.44/2/0.5)","Acta Crystallographica Section E","2005","61","8","m1595","m1597","10.1107/S1600536805022233","","","0.71073","Mo-Kα","","0.0944","0.0562","","","0.1162","0.1404","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206548","9.496","0.003","9.895","0.003","13.619","0.005","90","","90","","90","","1279.7","0.7","295","2","295","3","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Chlorosalicylaldehyde benzoylhydrazone","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","SJ6111","Ali, Hapipah M.; Puvaneswary, Subramaniam; Ng, Seik Weng","5-Chlorosalicylaldehyde benzoylhydrazone","Acta Crystallographica Section E","2005","61","8","o2415","o2416","10.1107/S1600536805020775","","","0.71073","MoKα","","0.031","0.03","","","0.084","0.085","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206549","19.257","0.004","8.904","0.003","19.4","0.004","90","","108.33","0.017","90","","3157.6","1.4","295","2","295","3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Bromo-1H-indole-3-carbaldehyde 3-methoxybenzoylhydrazone","","- C17 H14 Br N3 O2 -","- C17 H14 Br N3 O2 -","- C136 H112 Br8 N24 O16 -","8","1","SJ6112","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng","5-Bromo-1<i>H</i>-indole-3-carbaldehyde 3-methoxybenzoylhydrazone","Acta Crystallographica Section E","2005","61","8","o2417","o2418","10.1107/S1600536805020787","","","0.71073","MoKα","","0.063","0.042","","","0.106","0.114","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206550","8.889","0.014","11.523","0.018","9.677","0.015","90","","95.58","0.03","90","","986","3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-acetyl-N-phenylglycine","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","SJ6113","Ai-Yun Fu; Da-Qi Wang","<i>N</i>-Acetyl-<i>N</i>-phenylglycine","Acta Crystallographica Section E","2005","61","8","o2504","o2505","10.1107/S1600536805021793","","","0.71073","Mo-Kα","","0.1285","0.0493","","","0.1118","0.1431","","","","","","0.966","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206551","17.23","0.007","17.23","0.007","9.812","0.004","90","","90","","90","","2913","2","292","2","292","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Tetrakis(3,5-dimethoxyphenyl)silane","","- C32 H36 O8 Si -","- C32 H36 O8 Si -","- C128 H144 O32 Si4 -","4","0.25","SJ6115","Saied, Okba; Maris, Thierry; Simard, Michel; Wuest, James D.","Tetrakis(3,5-dimethoxyphenyl)silane","Acta Crystallographica Section E","2005","61","8","o2563","o2566","10.1107/S1600536805021847","","","1.5418","CuKα","","0.0553","0.0488","","","0.1453","0.149","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206552","8.063","0.003","8.08","0.003","12.03","0.005","93.27","0.03","95.87","0.04","113.46","0.03","711.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Nicotinium picrate","Nicotinium picrate","","- C12 H8 N4 O9 -","- C12 H8 N4 O9 -","- C24 H16 N8 O18 -","2","1","SJ6116","K. Anitha; S. Athimoolam; R. K. Rajaram","Nicotinium picrate","Acta Crystallographica Section E","2005","61","8","o2556","o2558","10.1107/S160053680502221X","","","0.71073","MoKα","","0.0739","0.0453","","","0.1178","0.1359","","","","","","1.023","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206553","12.158","0.005","10.593","0.004","7.001","0.003","90","","102.35","0.03","90","","880.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nicotinium dihydrogenphosphate","3-carboxypyridinium dihydrogenphosphate","","- C6 H8 N O6 P -","- C6 H8 N O6 P -","- C24 H32 N4 O24 P4 -","4","1","SJ6117","S. Athimoolam; K. Anitha; R. K. Rajaram","Nicotinium dihydrogenphosphate","Acta Crystallographica Section E","2005","61","8","o2553","o2555","10.1107/S1600536805022221","","","0.71073","MoKα","","0.0381","0.0297","","","0.0783","0.0837","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206554","11.824","0.003","9.6214","0.0011","13.669","0.002","90","","111.99","0.018","90","","1441.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(nicotinic acid) hydrogen perchlorate","Bis(nicotinic acid) hydrogen perchlorate","","- C12 H11 Cl N2 O8 -","- C12 H11 Cl N2 O8 -","- C48 H44 Cl4 N8 O32 -","4","0.5","SJ6119","S. Athimoolam; R. K. Rajaram","Bis(nicotinic acid) hydrogen perchlorate","Acta Crystallographica Section E","2005","61","8","o2674","o2676","10.1107/S1600536805022877","","","0.71073","MoKα","","0.0551","0.0428","","","0.1192","0.1272","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206555","7.533","0.005","8.067","0.007","9.317","0.005","82.06","0.06","80.95","0.03","81.31","0.07","548.9","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(±)-trans-1,2,3,4,4a,9a-Hexahydroanthrone","","- C14 H16 O -","- C14 H16 O -","- C28 H32 O2 -","2","1","SJ6121","Lalancette, Roger A.; Thompson, Hugh W.","(±)-<i>trans</i>-1,2,3,4,4a,9a-Hexahydroanthrone","Acta Crystallographica Section E","2005","61","8","o2685","o2686","10.1107/S1600536805023019","","","0.71073","MoKα","","0.122","0.064","","","0.137","0.162","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206556","6.9663","0.0007","8.3306","0.0014","12.5098","0.0012","101.253","0.011","95.746","0.008","102.685","0.011","686.85","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Dinicotinium sulfate","Dinicotinium sulfate","","- C12 H12 N2 O8 S -","- C12 H12 N2 O8 S -","- C24 H24 N4 O16 S2 -","2","1","SJ6123","S. Athimoolam; R. K. Rajaram","Dinicotinium sulfate","Acta Crystallographica Section E","2005","61","8","o2764","o2767","10.1107/S1600536805023871","","","0.71073","MoKα","","0.1023","0.0615","","","0.1802","0.2047","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206557","4.9983","0.0011","5.5158","0.0012","26.418","0.006","90","","90","","90","","728.3","0.3","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,4-Difluorobenzohydroxamic acid","","- C7 H5 F2 N O2 -","- C7 H5 F2 N O2 -","- C28 H20 F8 N4 O8 -","4","1","SU6205","Shang, Xian-Mei; Meng, Xiang-Gao; Wu, Ji-Zhou; Li, Qing-Shan","3,4-Difluorobenzohydroxamic acid","Acta Crystallographica Section E","2005","61","8","o2328","o2329","10.1107/S1600536805020179","","","0.71073","MoKα","","0.0639","0.0556","","","0.148","0.1572","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206558","6.4226","0.0001","9.7869","0.0002","13.9309","0.0004","81.3584","0.0008","88.7526","0.0009","79.765","0.002","851.93","0.03","123","2","","","","","","","","","","6","P -1","-P 1","2","","Methyl 2-(3,5-dichlorophenyl)-5-dimethylamino-3-methyl-1,1-dioxo-1,2,3,4-tetrahydro- 1λ^6^-1,2,4,6-thiatriazine-3-carboxylate","","- C13 H16 Cl2 N4 O4 S -","- C13 H16 Cl2 N4 O4 S -","- C26 H32 Cl4 N8 O8 S2 -","2","1","SU6207","Duggan, Peter J.; Fallon, Gary D.; Liepa, Andris J.","Methyl 2-(3,5-dichlorophenyl)-5-dimethylamino-3-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1λ^6^,2,4,6-thiatriazine-3-carboxylate","Acta Crystallographica Section E","2005","61","8","o2694","o2695","10.1107/S1600536805022713","","","0.71073","MoKα","","","0.0427","","","","0.1134","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206559","22.574","0.008","3.9269","0.0015","6.626","0.002","90","","90","","90","","587.4","0.4","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Methylthiazole-5-carbaldehyde","","- C5 H5 N O S -","- C5 H5 N O S -","- C20 H20 N4 O4 S4 -","4","1","SU6210","Dong, Min; Sun, Liang-Dong","4-Methylthiazole-5-carbaldehyde","Acta Crystallographica Section E","2005","61","8","o2712","o2713","10.1107/S1600536805023202","","","0.71073","MoKα","","0.0658","0.0446","","","0.1122","0.119","","","","","","1.162","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206560","10.1103","0.0006","11.2803","0.0006","13.2962","0.0008","83.458","0.001","83.829","0.001","74.64","0.001","1447.97","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquatris(μ~2~-4,4'-bipyridine-κ^2^N,N')tetrakis(phenylacetato- κO)dinickel(II)] dihydrate]","","- C62 H60 N6 Ni2 O12 -","- C62 H60 N6 Ni2 O12 -","- C62 H60 N6 Ni2 O12 -","1","0.5","SU6212","Zhang, Xue-Li; Ng, Seik Weng","Poly[[diaquatris(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(phenylacetato-κ<i>O</i>)dinickel(II)] dihydrate]","Acta Crystallographica Section E","2005","61","8","m1498","m1500","10.1107/S160053680502115X","","","0.71073","MoKα","","0.082","0.069","","","0.18","0.196","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206561","12.406","0.002","9.6396","0.0017","12.276","0.002","90","","90.479","0.003","90","","1468","0.4","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(en)~2~(H~2~O)~2~](ans)~2~2H~2~O","Diaquabis(ethylenediamine)nickel(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate","","- C24 H40 N6 Ni O10 S2 -","- C24 H40 N6 Ni O10 S2 -","- C48 H80 N12 Ni2 O20 S4 -","2","0.5","SU6215","Ming-Tian Li; Cheng-Gang Wang; Yu Wu; Xu-Cheng Fu","Diaquabis(ethylenediamine)nickel(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate","Acta Crystallographica Section E","2005","61","8","m1613","m1615","10.1107/S1600536805022907","","","0.71073","MoKα","","0.0513","0.0384","","","0.0976","0.1139","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206562","10.6052","0.0006","24.2012","0.0016","30.778","0.002","90","","97.592","0.004","90","","7830.2","0.9","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentakis(tetraethylammonium) diaqua-μ~4~-malonato-tetramalonatodi-μ~3~-oxo-di-μ-oxo- tetraoxopotassiumdimolybdenum dihydrate acetonitrile disolvate","","- C59 H120 K Mo4 N7 O30 -","- C59 H120 K Mo4 N7 O30 -","- C236 H480 K4 Mo16 N28 O120 -","4","1","SU6217","Klausmeyer, Kevin K.; Yaklin, Marsha M.; Adrian, Rafael A.","Pentakis(tetraethylammonium) diaqua-μ~4~-malonato-tetramalonatodi-μ~3~-oxo-di-μ-oxo-tetraoxopotassiumtetramolybdenum acetonitrile disolvate","Acta Crystallographica Section E","2005","61","8","m1607","m1609","10.1107/S1600536805022932","","","0.71073","MoKα","","0.0519","0.0315","","","0.0678","0.0746","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206563","12.9935","0.0013","33.042","0.004","11.1555","0.0013","90","","90","","90","","4789.4","0.9","296","","296","","","","","","","","","5","F d d 2","F 2 -2d","43","","Ethyl 3-methyl-1-oxo-4H-1,4-benzothiazine-2-carboxylate","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C192 H208 N16 O48 S16 -","16","1","SU6218","Mehmet Akkurt; Sevim Türktekin; Yamna Baryala; Abdelfettah Zerzouf; Moussa Salem; El-Mokhtar Essassi; Orhan Büyükgüngör","Ethyl 3-methyl-1-oxo-4<i>H</i>-1,4-benzothiazine-2-carboxylate","Acta Crystallographica Section E","2005","61","8","o2716","o2717","10.1107/S1600536805023548","","","0.71073","MoKα","","0.0409","0.0328","","","0.0787","0.0819","","","","","","1.004","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206564","7.7451","0.0009","10.3145","0.001","10.8614","0.0011","79.304","0.008","70.145","0.01","78.793","0.009","793.79","0.15","110","","110","","","","","","","","","5","P -1","-P 1","2","","2-(dimethylammonio)ethanaminium hexacosaoxaoctamolybdate dihydrate","","- C8 H32 Mo8 N4 O28 -","- C8 H32 Mo8 N4 O28 -","- C8 H32 Mo8 N4 O28 -","1","0.5","SU6219","Thorn, Katherine J.; Narducci Sarjeant, Amy; Norquist, Alexander J.","(C~4~H~14~N~2~)~2~[Mo~8~O~26~]·2H~2~O: a new molybdate salt","Acta Crystallographica Section E","2005","61","8","m1665","m1667","10.1107/S1600536805023512","","","0.71073","MoKα","","0.0425","0.0265","","0.0594","0.0547","0.0547","","","","","","0.8997","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206565","4.8721","0.0013","9.55","0.003","11.547","0.003","96.582","0.004","95.944","0.004","94.753","0.004","528.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(pyridin-4-ylmethyl)succinamide‒terephthalic acid (1/1)","","- C24 H24 N4 O6 -","- C24 H24 N4 O6 -","- C24 H24 N4 O6 -","1","0.5","TK6236","Clive L. Oliver; Gareth O. Lloyd; Elise J.C. de Vries","<i>N</i>,<i>N</i>'-Bis(pyridin-4-ylmethyl)succinamide‒terephthalic acid (1/1)","Acta Crystallographica Section E","2005","61","8","o2605","o2606","10.1107/S1600536805021227","","","0.71073","MoKα","","0.057","0.054","","","0.143","0.146","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2206566","13.7534","0.0006","17.1348","0.0008","7.6723","0.0003","90","","120.997","0.002","90","","1549.87","0.12","150","","150","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Di-μ-aqua-bis[{N-[(2-dimethylamino-κN)ethyl]-N,N',N'-trimethylethane- 1,2-diamine-κ^2^N,N'}sodium(I)] diiodide","","- C18 H50 I2 N6 Na2 O2 -","- C18 H50 I2 N6 Na2 O2 -","- C36 H100 I4 N12 Na4 O4 -","2","0.25","TK6237","Jeanneau, Erwann; Mishra, Shashank; Hubert-Pfalzgraf, Liliane G.","Di-μ-aqua-bis[{<i>N</i>- [(2-dimethylamino-κ<i>N</i>)ethyl]-<i>N</i>,<i>N</i>',<i>N</i>'-trimethylethane- 1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}sodium(I)] diiodide","Acta Crystallographica, Section E","2005","61","8","o1528","o1530","10.1107/S1600536805021239","","","0.71073","MoKα","","0.049","0.04","","0.099","0.091","0.091","","","","","","0.872","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206567","12.538","0.0009","10.6157","0.0008","31.76","0.002","90","","98.062","0.002","90","","4185.5","0.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Acetonitrile-κN){1,2-bis[bis(pentafluorophenyl)phosphino]ethane- κ^2^P,P}(η^5^-pentamethylcyclopentadienyl)ruthenium(II) hexafluorophosphate","","- C38 H22 F26 N P3 Ru -","- C38 H22 F26 N P3 Ru -","- C152 H88 F104 N4 P12 Ru4 -","4","1","WK6052","Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.","(Acetonitrile-κ<i>N</i>){1,2-bis[bis(pentafluorophenyl)phosphino]ethane-κ^2^<i>P</i>,<i>P</i>}(η^5^-pentamethylcyclopentadienyl)ruthenium(II) hexafluorophosphate","Acta Crystallographica Section E","2005","61","8","m1588","m1589","10.1107/S1600536805020052","","","0.71073","MoKα","","0.0975","0.047","","","0.0905","0.1091","","","","","","0.936","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206568","14.3223","0.0014","15.7868","0.0014","13.5226","0.0013","90","","115.067","0.002","90","","2769.5","0.5","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetrapiperazium decachlorodibismuthate","Bis(piperazinium) di-μ-chloro-bis[tetraochlorobismuthate(III)] trihydrate","","- C8 H30 Bi2 Cl10 N4 O3 -","- C8 H30 Bi2 Cl10 N4 O3 -","- C32 H120 Bi8 Cl40 N16 O12 -","4","0.5","WK6053","Ping-Fan Wu; Xiao-Feng Tan; Xiang-Gao Meng; Dong-Sheng Li; Yu-Lin Zhu; Yong-Ge Wei","Bis(piperazinium) di-μ-chloro-bis[tetrachlorobismuthate(III)] trihydrate","Acta Crystallographica Section E","2005","61","8","m1506","m1508","10.1107/S1600536805021100","","","0.71073","MoKα","","0.0435","0.0355","","","0.0955","0.0998","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206569","14.114","0.003","5.5098","0.001","25.621","0.005","90","","90","","90","","1992.4","0.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4,6-Dichloro-[1,3,5]triazin-2-yl)-phenyl-amine","","- C9 H6 Cl2 N4 -","- C9 H6 Cl2 N4 -","- C72 H48 Cl16 N32 -","8","1","WK6055","Tao Zeng; Chuan-Ming Dong; Xue-Gui Shu","<i>N</i>-(4,6-Dichloro-1,3,5-triazin-2-yl)aniline","Acta Crystallographica Section E","2005","61","8","o2334","o2335","10.1107/S1600536805020386","","","0.71073","MoKα","","0.0803","0.0541","","","0.1016","0.1112","","","","","","1.132","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206570","11.093","0.005","12.944","0.006","19.584","0.009","90","","91.855","0.009","90","","2811","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-Phenyl-2-(quinolin-8-yloxy)acetamide hemihydrate","","- C17 H15 N2 O2.5 -","- C17 H15 N2 O2.5 -","- C136 H120 N16 O20 -","8","1","WK6056","Xue-Mei Li; Yong-Hong Wen; Mao-Jie Li; Shu-Sheng Zhang","<i>N</i>-Phenyl-2-(quinolin-8-yloxy)acetamide hemihydrate","Acta Crystallographica Section E","2005","61","8","o2389","o2390","10.1107/S1600536805020751","","","0.71073","MoKα","","0.0781","0.0488","","","0.1112","0.1261","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206571","5.8779","0.0009","29.8","0.004","7.216","0.0011","90","","113.622","0.002","90","","1158.1","0.3","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-benzyl-6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C48 H48 N8 O4 S4 -","4","1","WK6057","Hu, Sheng-Li; Yin, Guo-Dong; Wu, An-Xin","5-Benzyl-6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","8","o2408","o2409","10.1107/S1600536805020921","","","0.71073","MoKα","","0.0649","0.0483","","","0.1136","0.1228","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206572","10.5565","0.0001","10.5565","0.0001","7.7584","0.0001","90","","90","","120","","748.76","0.014","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","Barium vanadate chloride","Pentabarium tris(vanadate) chloride","","- Ba5 Cl O12 V3 -","- Ba5 Cl O12 V3 -","- Ba10 Cl2 O24 V6 -","2","0.166667","WM6071","Roh, Yun-Ho; Hong, Seung-Tae","Apatite-type Ba~5~(VO~4~)~3~Cl","Acta Crystallographica, Section E","2005","61","8","i140","i142","10.1107/S1600536805018854","","","0.71073","MoKα","","0.02","0.015","","0.0383","0.0344","0.0344","","","","","","0.4614","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2206573","6.975","0.003","6.984","0.003","8.899","0.003","104.01","0.03","101.19","0.03","114.1","0.06","362.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Polyhalite","Dipotassium Dicalcium Magnesium Tetrakis[sulfate(VI)] Dihydrate","","- Ca2 H4 K2 Mg O18 S4 -","- Ca2 H4 K2 Mg O18 S4 -","- Ca2 H4 K2 Mg O18 S4 -","1","0.5","WM6074","Bindi, Luca","Reinvestigation of the crystal structure of polyhalite, K~2~Ca~2~Mg(SO~4~)~4~.2H~2~O","Acta Crystallographica, Section E","2005","61","8","i135","i136","10.1107/S1600536805020507","","","0.71073","MoKα","","0.054","0.0476","","","0.1379","0.143","","","","","","0.967","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2206574","7.4864","0.0012","7.4864","0.0012","20.88","0.006","90","","90","","120","","1013.5","0.4","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","Yttrium iodide","Yttrium triiodide","","- I3 Y -","- I3 Y -","- I18 Y6 -","6","0.333333","WM6075","Jongen, Liesbet; Meyer, Gerd","Yttrium triiodide, YI~3~","Acta Crystallographica Section E","2005","61","8","i151","i152","10.1107/S1600536805019847","","","0.71073","MoKα","","0.0347","0.0317","","","0.0869","0.0897","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206575","3.5505","0.001","3.9543","0.0016","8.7","0.003","90","","90","","90","","122.15","0.07","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Scandium(III) oxide bromide","","- Br O Sc -","- Br O Sc -","- Br2 O2 Sc2 -","2","0.25","WM6076","Jongen, Liesbet; Meyer, Gerd","Scandium(III) oxide bromide, ScOBr","Acta Crystallographica Section E","2005","61","8","i153","i154","10.1107/S1600536805019914","","","0.71073","MoKα","","0.0186","0.0178","","","0.0421","0.0423","","","","","","1.119","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206576","3.7913","0.0002","3.7913","0.0002","3.7913","0.0002","90","","90","","90","","54.496","0.005","296","","","","","","","","synthesized at 4.5 GPa and 1273 K","synthesized at 4.5 GPa","Synthetic","3","P m -3 m","-P 4 2 3","221","","lanthanum aluminium trioxide","","- Al La O3 -","- Al La O3 -","- Al La O3 -","1","0.0208333","WM6077","Nakatsuka, Akihiko; Ohtaka, Osamu; Arima, Hiroshi; Nakayama, Noriaki; Mizota, Tadato","Cubic phase of single-crystal LaAlO~3~ perovskite synthesized at 4.5 GPa and 1273 K","Acta Crystallographica, Section E","2005","61","8","i148","i150","10.1107/S1600536805020441","","","0.71069","MoKα","","","0.0081","","","","0.0101","","","","","","1.07","","","","has coordinates","282068","2023-03-26","10:12:40",""
"2206577","5.9078","0.0013","5.9821","0.0013","7.9503","0.0019","90","","92.22","0.03","90","","280.76","0.11","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dirubidium sodium manganate(V)","","- Mn Na O4 Rb2 -","- Mn Na O4 Rb2 -","- Mn2 Na2 O8 Rb4 -","2","0.5","WM6078","Möller, Angela; Kerp, Oliver","Dirubidium sodium manganate(V), Rb~2~NaMnO~4~","Acta Crystallographica Section E","2005","61","8","i146","i147","10.1107/S1600536805020453","","","0.71073","MoKα","","0.0439","0.0361","","","0.0712","0.0743","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206578","34.3914","0.0014","7.0397","0.0003","6.1873","0.0003","90","","91.638","0.003","90","","1497.37","0.11","296","","292","","","","","","","","","5","C 1 2/m 1","-C 2y","12","Ammonium cobalt phosphite 18-hydrate","Diammonium tris[hexaaquacobalt(II)] tetrakis[hydrogenphosphate(III)]","","- Co3 H48 N2 O30 P4 -","- Co3 H48 N2 O30 P4 -","- Co6 H96 N4 O60 P8 -","2","0.25","WM6079","Ouarsal, Rachid; El Bali, Brahim; Lachkar, Mohammed; Dusek, Michal; Fejfarova, Karla","Diammonium tris[hexaaquacobalt(II)] tetrakis[hydrogenphosphate(III)], (NH~4~)~2~[Co(H~2~O)~6~]~3~(HPO~3~)~4~","Acta Crystallographica Section E","2005","61","8","i168","i170","10.1107/S1600536805021719","","","0.71069","MoKα","","0.023","0.0213","","","0.0719","0.0732","","","","","","1.53","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206579","34.1405","0.0015","7.0197","0.0003","6.155","0.0003","90","","91.371","0.004","90","","1474.66","0.12","296","","292","","","","","","","","","5","C 1 2/m 1","-C 2y","12","Ammonium nickel phosphite 18-hydrate","Diammonium tris[hexaaquanickel(II)] tetrakis[hydrogenphosphate(III)]","","- H48 N2 Ni3 O30 P4 -","- H48 N2 Ni3 O30 P4 -","- H96 N4 Ni6 O60 P8 -","2","0.25","WM6080","Ouarsal, Rachid; El Bali, Brahim; Lachkar, Mohammed; Dusek, Michal; Fejfarova, Karla","Diammonium tris[hexaaquanickel(II)] tetrakis[hydrogenphosphate(III)], (NH~4~)~2~[Ni(H~2~O)~6~]~3~(HPO~3~)~4~","Acta Crystallographica Section E","2005","61","8","i171","i173","10.1107/S1600536805021720","","","0.71069","MoKα","","0.0261","0.0199","","","0.0573","0.0599","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206580","5.5001","0.0006","5.5001","0.0006","5.5001","0.0006","90","","90","","90","","166.38","0.03","294","","294","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","Tricopper tetrathioniobate(V)","","- Cu3 Nb S4 -","- Cu3 Nb S4 -","- Cu3 Nb S4 -","1","0.0416667","WM6081","Kars, Mohammed; Rebbah, Allaoua; Rebbah, Houria","Cu~3~NbS~4~","Acta Crystallographica Section E","2005","61","8","i180","i181","10.1107/S1600536805022397","","","0.71073","MoKα","","","0.032","","","","0.038","","","","","","1.172","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206581","5.8389","0.0012","7.6865","0.0015","14.124","0.003","90","","97.9","0.03","90","","627.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-bis(phenylsulfanyl)ethane","","- C14 H14 S2 -","- C14 H14 S2 -","- C28 H28 S4 -","2","0.5","WN6360","Hou, Bao-Hong; Zhou, Li-Na; Yin, Qiu-Xiang; Wang, Jing-Kang; Chen, Wei","1,2-Bis(phenylsulfanyl)ethane","Acta Crystallographica Section E","2005","61","8","o2482","o2483","10.1107/S1600536805020908","","","0.71073","MoKα","","0.0496","0.0422","","","0.1257","0.1311","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206582","6.5236","0.0005","17.5861","0.0014","9.0279","0.0007","90","","94.71","0.001","90","","1032.23","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-Methoxycarbonyl-D-glucosaminide","(1,3,4,-Tri-hydroxy-6-hydroxymethyl-tetrahydropyran-2-yl)methyl carbamate","","- C8 H15 N O7 -","- C8 H15 N O7 -","- C32 H60 N4 O28 -","4","2","WN6361","Shahid Iqbal Awan; M. Iqbal Choudhary; Atta-ur-Rahman; Shazia Anjum; Shamsher Ali; Hoong-Kun Fun","Methyl [2,4,5-trihydroxy-6-(hydroxymethyl)perhydropyran-3-yl]carbamate","Acta Crystallographica Section E","2005","61","8","o2354","o2356","10.1107/S1600536805020374","","","0.71073","MoKα","","0.0311","0.0304","","","0.077","0.0782","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206583","9.7861","0.0014","10.4999","0.0015","10.7337","0.0015","72.329","0.003","88.734","0.003","84.93","0.003","1046.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","7a-O-methyldeguelol","(6,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl)(5-methoxy-2,2- dimethyl-2H-chromen-6-yl)methanone","","- C24 H25 O6 -","- C24 H26 O6 -","- C48 H52 O12 -","2","1","WN6362","Suchada Chantrapromma; Hoong-Kun Fun; Yupparase Pullaput; Hathaichanok Wongtap; Saravut Dejmanee; Kan Chantrapromma","7a-<i>O</i>-Methyldeguelol","Acta Crystallographica Section E","2005","61","8","o2340","o2342","10.1107/S1600536805020325","","","0.71073","MoKα","","0.0917","0.084","","","0.194","0.199","","","","","","1.225","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206584","8.6563","0.0016","7.633","0.0012","26.927","0.004","90","","95.403","0.009","90","","1771.3","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4,5-Trimethoxyphenyl 4-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate","","- C18 H17 Br O8 -","- C18 H17 Br O8 -","- C72 H68 Br4 O32 -","4","1","WN6364","Zheng, Lei; Guo, Boying; Zheng, Xiufang; Chen, Juan; Chang, Junbiao","3,4,5-Trimethoxyphenyl 4-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate","Acta Crystallographica Section E","2005","61","8","o2508","o2509","10.1107/S1600536805021689","","","0.71073","MoKα","","0.0858","0.0407","","","0.085","0.1002","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206585","8.4553","0.0014","10.1812","0.0016","13.408","0.002","90","","98.646","0.002","90","","1141.1","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-(4-Hydroxybenzylidene)isonicotinohydrazide","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","WN6365","Qi-Liang Deng; Ming Yu; Xin Chen; Chun-Hua Diao; Zuo-Liang Jing; Zhi Fan","<i>N</i>'-(4-Hydroxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2005","61","8","o2545","o2546","10.1107/S1600536805022191","","","0.71073","MoKα","","0.0677","0.0398","","","0.1017","0.1113","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206586","20.566","0.002","10.698","0.001","22.789","0.002","90","","104.3","0.002","90","","4858.6","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Bis(2-chlorophenyl)-4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine- 3,5-dicarboxamide","","- C27 H22 Cl3 N3 O2 -","- C27 H22 Cl3 N3 O2 -","- C216 H176 Cl24 N24 O16 -","8","1","WN6366","Mahendra, M; Doreswamy, B. H.; Sridhar, M. A.; Shashidhara Prasad, J.; Kinnari, D.; Dinesh, M.; Anamik, S.","<i>N</i>,<i>N</i>'-Bis(2-chlorophenyl)-4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","Acta Crystallographica Section E","2005","61","8","o2567","o2569","10.1107/S1600536805022038","","","0.71073","MoKα","","0.0677","0.0508","","","0.1491","0.1812","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206587","8.9854","0.0017","11.955","0.002","12.21","0.002","71.179","0.003","70.188","0.003","84.085","0.003","1168","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(3-Bromo-4-butoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)furan","","- C25 H29 Br O5 -","- C25 H29 Br O5 -","- C50 H58 Br2 O10 -","2","1","WN6367","Wang, Run-Ling; Shi, Ji-Xian; Zheng, Xiu-Fang; Zhou, Ye","2-(3-Bromo-4-butoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)furan","Acta Crystallographica Section E","2005","61","8","o2619","o2620","10.1107/S1600536805022543","","","0.71073","MoKα","","0.0881","0.0421","","","0.0888","0.1097","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206588","11.7262","0.0013","7.6968","0.0007","11.8788","0.0013","90","","109.97","0.005","90","","1007.65","0.18","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2S,4S,5S)-2,5-Dibenzyl-1,4-diazoniabicyclo[2.2.2]octane dichloride methanol solvate","","- C21 H30 Cl2 N2 O -","- C21 H30 Cl2 N2 O -","- C42 H60 Cl4 N4 O2 -","2","1","WN6368","Qiu, Li-Hua; Yang, Wen; Zhang, Yawen; Zhang, De-Chun","(1<i>S</i>,2<i>S</i>,4<i>S</i>,5<i>S</i>)-2,5-Dibenzyl-1,4-diazoniabicyclo[2.2.2]octane dichloride methanol solvate","Acta Crystallographica Section E","2005","61","8","o2668","o2670","10.1107/S1600536805022762","","","0.7107","MoKα","","0.0434","0.0432","","","0.1279","0.128","","","","","","1.129","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206589","9.8061","0.0007","9.9171","0.0007","23.7427","0.0017","90","","92.545","0.002","90","","2306.7","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2,4-dihydroxyacetophenone salicylhydrazidato)bis[pyridinezinc(II)] dimethylformamide disolvate","","- C46 H48 N8 O10 Zn2 -","- C46 H48 N8 O10 Zn2 -","- C92 H96 N16 O20 Zn4 -","2","0.5","WN6369","Jinshan Huang; Yongfei Wu; Xinde Zhu","Bis(μ-2,4-dihydroxyacetophenone salicylhydrazidato)bis[pyridinezinc(II)] dimethylformamide disolvate","Acta Crystallographica Section E","2005","61","8","m1548","m1549","10.1107/S1600536805021677","","","0.71073","MoKα","","0.0722","0.0518","","","0.1208","0.14","","","","","","1.077","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206590","20.5494","0.001","12.1369","0.001","16.3862","0.0014","90","","126.097","0.01","90","","3302.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4-Bis[2-(benzylaminocarbonyl)phenoxymethyl]-1,3,5-trimethylbenzene","","- C39 H38 N2 O4 -","- C39 H38 N2 O4 -","- C156 H152 N8 O16 -","4","0.5","WW6370","Tang, Yu; Tang, Kuan-Zhen; Zhang, Jian","2,4-Bis[2-(benzylaminocarbonyl)phenoxymethyl]-1,3,5-trimethylbenzene","Acta Crystallographica Section E","2005","61","8","o2489","o2490","10.1107/S1600536805021537","","","0.71073","MoKα","","0.1244","0.054","","","0.1202","0.1507","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206591","9.5089","0.001","7.7663","0.0008","26.204","0.003","90","","91.825","0.002","90","","1934.2","0.4","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Diisopropylamino-3-phenylbenzo[4,5]furo[3,2-d]pyrimidin-4(3H)-one","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C88 H92 N12 O8 -","4","1","WW6387","Hu, Yang-Gen; Xu, Sheng-Zhen; Yuan, Ju-Zhen; Ding, Ming-Wu; He, Hong-Wu","2-Diisopropylamino-3-phenylbenzo[4,5]furo[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","8","o2649","o2651","10.1107/S1600536805022919","","","0.71073","MoKα","","0.0832","0.0588","","","0.1265","0.139","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206592","8.844","0.005","9.062","0.004","9.635","0.004","97.7","0.03","116.8","0.03","93.26","0.03","677","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(imidazolium) diaquabis(pyridine-2,5-dicarboxylato-κ^2^N,O)cobaltate(II) tetrahydrate","","- C20 H28 Co N6 O14 -","- C20 H28 Co N6 O14 -","- C20 H28 Co N6 O14 -","1","0.5","WW6403","Deng, Qian-Jun; Liu, Zhuang-Tian; Zeng, Ming-Hua","Bis(imidazolium) diaquabis(pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>)cobaltate(II) tetrahydrate","Acta Crystallographica Section E","2005","61","8","m1514","m1516","10.1107/S1600536805021380","","","0.71073","MoKα","","0.063","0.0526","","","0.1393","0.1486","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206593","8.819","0.003","7.822","0.003","20.465","0.008","90","","96.507","0.007","90","","1402.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-2-methylsulfanyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile","","- C15 H12 N4 S -","- C15 H12 N4 S -","- C60 H48 N16 S4 -","4","1","WW6407","Ren, Xue-Ling; Wu, Chao; Li, Hua-Bin; Yang, Hua-Zheng","5-Methyl-2-methylsulfanyl-7-phenylpyrazolo[1,5-<i>a</i>]pyrimidine-3-carbonitrile","Acta Crystallographica Section E","2005","61","8","o2506","o2507","10.1107/S1600536805021896","","","0.71073","MoKα","","0.1091","0.0506","","","0.1035","0.1216","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206594","13.395","0.002","7.1833","0.0011","11.4151","0.0018","90","","104.948","0.002","90","","1061.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-bis(4-pyridyl)-1,3,4-thiadiazole","","- C12 H8 N4 S -","- C12 H8 N4 S -","- C48 H32 N16 S4 -","4","1","WW6408","Zhao, Xiao-Jun; Cai, Hua; Du, Miao","A new polymorph of 2,5-bis(4-pyridyl)-1,3,4-thiadiazole","Acta Crystallographica Section E","2005","61","8","o2547","o2548","10.1107/S1600536805022142","","","0.71073","MoKα","","0.0406","0.0323","","","0.0969","0.1015","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206595","18.0634","0.0016","15.1108","0.0013","18.8377","0.0017","90","","90","","90","","5141.8","0.8","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl 4,8-dioxo-2,6-diphenyl-1,3,5,7-tetrahydro-2,3a,4a,6,7a,8a- hexaazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C26 H28 N6 O6 -","- C26 H28 N6 O6 -","- C208 H224 N48 O48 -","8","1","WW6409","Yin, Guo-Dong; Chen, Yun-Feng; Zhou, Bao-Han; Wu, An-Xin","Diethyl 4,8-dioxo-2,6-diphenyl-1,3,5,7-tetrahydro-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2005","61","8","o2467","o2469","10.1107/S1600536805021525","","","0.71073","MoKα","","0.079","0.0574","","","0.1528","0.1805","","","","","","1.178","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206596","7.105","0.003","9.762","0.003","13.29","0.005","100.018","0.005","99.912","0.005","100.614","0.004","872.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-Amino-1-(2-chlorophenyl)-9-methoxy-5,6-dihydro-1H- benzo[f]chromene-2-carbonitrile","","- C21 H17 Cl N2 O2 -","- C21 H17 Cl N2 O2 -","- C42 H34 Cl2 N4 O4 -","2","1","WW6410","Yu, Chen-Xia; Shi, Da-Qing; Yao, Chang-Sheng; Wang, Xiang-Shan; Zhuang, Qi-Ya","3-Amino-1-(2-chlorophenyl)-9-methoxy-5,6-dihydro-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","Acta Crystallographica Section E","2005","61","8","o2628","o2629","10.1107/S1600536805022671","","","0.71073","MoKα","","0.0771","0.0455","","","0.1036","0.1176","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206597","8.27","0.002","10.619","0.003","11.399","0.003","64.657","0.003","75.794","0.004","72.154","0.004","853.6","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Dibromobis(3-methoxy-2-methylpyrazine 1-oxide-κ^O^)copper(II)","","- C12 H16 Br2 Cu N4 O4 -","- C12 H16 Br2 Cu N4 O4 -","- C24 H32 Br4 Cu2 N8 O8 -","2","1","XU6012","Sun, You-Min; Shi, Jing-Min; Liu, Zhe","Dibromobis(3-methoxy-2-methylpyrazine 1-oxide-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2005","61","8","m1574","m1575","10.1107/S1600536805022099","","","0.71073","MoKα","","0.076","0.059","","","0.151","0.16","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206598","11.033","0.005","11.951","0.005","12.034","0.005","69.081","0.005","77.369","0.004","66.626","0.005","1355","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(1,4-dimethylpyridinium) dodecamolybdosilicate","","- C28 H40 Mo12 N4 O40 Si -","- C28 H40 Mo12 N4 O40 Si -","- C28 H40 Mo12 N4 O40 Si -","1","0.5","XU6013","Xue-Jie Tan; Si-Xiu Sun; Lian-Dong Liu; Jian-Ping Ma; Dian-Xiang Xing","Tetrakis(1,4-dimethylpyridinium) dodecamolybdosilicate","Acta Crystallographica Section E","2005","61","8","m1620","m1622","10.1107/S1600536805023111","","","0.71073","MoKα","","0.101","0.1","","","0.225","0.226","","","","","","1.151","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206599","4.2588","0.0008","10.93","0.002","13.724","0.003","90","","95.733","0.003","90","","635.6","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Dibromo-9-ethyl-9H-carbazole","","- C14 H11 Br2 N -","- C14 H11 Br2 N -","- C28 H22 Br4 N2 -","2","1","XU6016","Huang, Peng-Mian; Li Jiang-Sheng; Duan Xue-Min; Zeng Tao; Yan Xi-Long","3,6-Dibromo-9-ethyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2005","61","8","o2366","o2367","10.1107/S1600536805020490","","","0.71073","MoKα","","0.055","0.039","","","0.087","0.094","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206600","11.3218","0.0011","12.7214","0.0013","11.8011","0.0012","90","","105.976","0.002","90","","1634.1","0.3","293","2","273","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Di-μ-diphenylphosphido-bis[tricarbonyliron(II)] dichloromethane solvate","","- C31 H22 Cl2 Fe2 O6 P2 -","- C31 H22 Cl2 Fe2 O6 P2 -","- C62 H44 Cl4 Fe4 O12 P4 -","2","0.5","XU6018","María Gabriela Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","Di-μ-diphenylphosphido-bis[tricarbonyliron(II)] dichloromethane solvate","Acta Crystallographica Section E","2005","61","8","m1475","m1477","10.1107/S1600536805020982","","","0.71073","MoKα","","0.056","0.044","","","0.128","0.132","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206601","20.674","0.002","8.2442","0.0009","14.9541","0.0016","90","","111.106","0.002","90","","2377.8","0.4","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2,6-Difluorobenzoyl)-3-(5-1,3,4-thiadiazol-2-yl)urea","","- C10 H6 F2 N4 O2 S -","- C10 H6 F2 N4 O2 S -","- C80 H48 F16 N32 O16 S8 -","8","2","XU6020","Song, Xin-Jian; Zhang, Sheng-Hui; Li, Yao-Hua; Tan, Xiao-Hong; Wang, Yan-Gang","1-(2,6-Difluorobenzoyl)-3-(1,3,4-thiadiazol-2-yl)urea","Acta Crystallographica Section E","2005","61","8","o2360","o2362","10.1107/S1600536805020362","","","0.71073","MoKα","","0.066","0.049","","","0.125","0.144","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206602","16.982","0.004","6.7616","0.0014","10.12","0.002","90","","111.718","0.004","90","","1079.5","0.4","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Tetraaquadithiocyanatocobalt(II) bis(2-methylpyrazine 1,4-dioxide)","","- C12 H20 Co N6 O8 S2 -","- C12 H20 Co N6 O8 S2 -","- C24 H40 Co2 N12 O16 S4 -","2","0.25","XU6021","Sun, You-Min; Shi, Jing-Min; Zhang, Xia","Tetraaquadithiocyanatocobalt(II) bis(2-methylpyrazine 1,4-dioxide)","Acta Crystallographica Section E","2005","61","8","m1501","m1502","10.1107/S1600536805021148","","","0.71073","MoKα","","0.033","0.032","","","0.083","0.083","","","","","","1.116","","","","has coordinates,has Fobs","191063","2020-10-21","18:00:00",""
"2206603","8.2409","0.0005","9.8064","0.0006","11.567","0.0007","87.027","0.001","85.507","0.001","80.552","0.001","918.53","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis(μ~2~-4-sulfonatobenzoato)bis[(di-2-pyridylamine)copper(II)] trihydrate","","- C34 H32 Cu2 N6 O13 S2 -","- C34 H32 Cu2 N6 O13 S2 -","- C34 H32 Cu2 N6 O13 S2 -","1","0.5","XU6023","Zhang, Li-Ping; Zhu, Long-Guan","The cyclic dimer bis(μ~2~-4-sulfonatobenzoato)bis[(di-2-pyridylamine)copper(II)] trihydrate","Acta Crystallographica Section E","2005","61","8","m1439","m1440","10.1107/S1600536805020489","","","0.71073","MoKα","","0.07","0.065","","","0.154","0.157","","","","","","1.168","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206604","9.4833","0.0002","11.1136","0.0003","13.0749","0.0003","73.486","0.002","72.134","0.002","81.704","0.002","1254.99","0.05","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","Diaquabis(1,10-phenanthroline-κ^2^N,N')zinc(II) pentafluorooxoniobate","","- C24 H20 F5 N4 Nb O3 Zn -","- C24 H20 F5 N4 Nb O3 Zn -","- C48 H40 F10 N8 Nb2 O6 Zn2 -","2","1","XU6024","Zhu, Gang; Liu, Yu-Ying; Wang, Gang; Tang, Zong-Xun","Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) pentafluorooxoniobate(V)","Acta Crystallographica Section E","2005","61","8","m1566","m1567","10.1107/S1600536805020854","","","0.71073","MoKα","","0.05","0.036","","","0.095","0.1","","","","","","1.083","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206605","7.0207","0.0014","7.0602","0.0011","8.1978","0.0019","68.66","0.01","73.748","0.006","76.204","0.011","359.09","0.13","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","4,4'-Ethylenebipyridinium tetrachlorocuprate","","- C12 H12 Cl4 Cu N2 -","- C12 H12 Cl4 Cu N2 -","- C12 H12 Cl4 Cu N2 -","1","0.5","XU6025","Zhang, Jing; Ye, Ling; Yu, Jing-Sheng; Wu, Li-Xin","4,4'-Ethylenebipyridinium tetrachlorocuprate","Acta Crystallographica Section E","2005","61","8","m1633","m1634","10.1107/S1600536805023433","","","0.71073","MoKα","","0.051","0.043","","","0.12","0.127","","","","","","1.135","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206606","12.4376","0.0009","9.595","0.0007","12.4375","0.0009","90","","90.03","0.01","90","","1484.28","0.19","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Diaquabis(ethylenediamine)copper(II)] [bis(4-aminonaphthalene-1-sulfonate)] dihydrate","","- C24 H40 Cu N6 O10 S2 -","- C24 H40 Cu N6 O10 S2 -","- C48 H80 Cu2 N12 O20 S4 -","2","0.5","XU6026","Li, Ming-Tian; Wang, Cheng-Gang; Wu, Yu; Fu, Xu-Cheng","Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate","Acta Crystallographica Section E","2005","61","8","m1660","m1661","10.1107/S1600536805023627","","","0.71073","MoKα","","0.046","0.037","","","0.101","0.12","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206607","8.243","0.002","10.25","0.003","10.655","0.003","116.643","0.003","92.658","0.003","106.771","0.003","754","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Chloro-N-ferrocenylmethyl-N-methylaniline","","- C18 H18 Cl Fe N -","- C18 H18 Cl Fe N -","- C36 H36 Cl2 Fe2 N2 -","2","1","XU6027","Ying-Jie Li; Hong-Xing Wang; Hong-Fei Wu","3-Chloro-<i>N</i>-ferrocenylmethyl-<i>N</i>-methylaniline","Acta Crystallographica Section E","2005","61","8","m1579","m1580","10.1107/S1600536805021835","","","0.71073","MoKα","","0.028","0.026","","","0.071","0.072","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206608","12.503","0.005","9.894","0.004","26.88","0.01","90","","90","","90","","3325","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cu N3 O3 -","- C17 H17 Cu N3 O3 -","- C136 H136 Cu8 N24 O24 -","8","1","XU6030","Liu, Ming-Li; Dou, Jian-Min; Wang, Da-Qi; Li, Da-Cheng","[1-Acetylacetone (2-hydroxybenzoyl)hydrazonato]pyridinecopper(II)","Acta Crystallographica Section E","2005","61","8","m1662","m1664","10.1107/S1600536805023639","","","0.71073","MoKα","","0.149","0.067","","","0.156","0.22","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206609","17.1543","0.0004","8.3835","0.0002","10.9679","0.0003","90","","105.976","0.001","90","","1516.41","0.07","295","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[4-(Dimethylamino)benzylidene]-4-methylbenzenesulfonamide","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","YA6251","Li-Ping Deng; Yong-Zhou Hu","<i>N</i>-[4-(Dimethylamino)benzylidene]-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2005","61","8","o2652","o2653","10.1107/S1600536805022816","","","0.71069","MoKα","","","0.055","","","","0.152","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206610","22.485","0.005","12.361","0.003","12.56","0.003","90","","90","","90","","3490.9","1.4","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","2,3-bis[(pyrimidin-2-ylsulfanyl)methyl]quinoxaline","","- C18 H14 N6 S2 -","- C18 H14 N6 S2 -","- C144 H112 N48 S16 -","8","1","YA6252","Ma, Zi-Chuan; Xian, Hong-Shi","2,3-Bis[(pyrimidin-2-ylsulfanyl)methyl]quinoxaline","Acta Crystallographica Section E","2005","61","8","o2746","o2747","10.1107/S1600536805023779","","","0.71073","MoKα","","0.052","0.035","","","0.089","0.096","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206611","11.3751","0.0009","13.7258","0.0008","16.4798","0.0011","103.903","0.004","99.49","0.004","100.168","0.005","2399.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(2,2'-bipyridine)-1k^2^N:N';3k^2^N:N'-hexakis(μ-α-methylacrylato)- 1:2k^6^O:O';2:3k^6^O:O'-nitrato-2k^2^O:O'-dizinc(II)neodymium(III)","","- C44 H46 N5 Nd O15 Zn2 -","- C44 H46 N5 Nd O15 Zn2 -","- C88 H92 N10 Nd2 O30 Zn4 -","2","1","YA6253","Yue Zhu; Weimin Lu; Meng Ma; Fang Chen","Bis(2,2'-bipyridine)-1κ^2^<i>N</i>:<i>N</i>';3κ^2^<i>N</i>:<i>N</i>'-hexakis(μ-α-methylacrylato)-1:2κ^6^<i>O</i>:<i>O</i>';2:3κ^6^<i>O</i>:<i>O</i>'-nitrato-2κ^2^<i>O</i>:<i>O</i>'-dizinc(II)neodymium(III)","Acta Crystallographica Section E","2005","61","8","m1610","m1612","10.1107/S1600536805022841","","","0.71069","MoKα","","0.053","0.039","","","0.097","0.111","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206612","8.1435","0.0004","11.9365","0.0005","5.4158","0.0003","90","","90","","90","","526.44","0.04","30","","30","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-cysteine","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","YA6256","Stephen A. Moggach; Stewart J. Clark; Simon Parsons","<small>L</small>-Cysteine-I at 30 K","Acta Crystallographica Section E","2005","61","8","o2739","o2742","10.1107/S1600536805023688","","","0.71073","MoKα","","0.018","0.017","","0.047","0.047","0.047","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206613","16.611","0.002","10.982","0.0013","16.728","0.002","90","","113.542","0.002","90","","2797.6","0.6","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[4-(Benzhydryloxy)piperidin-1-yl]-1-(4-tert-butylphenyl)butan-1-one","","- C32 H39 N O2 -","- C32 H39 N O2 -","- C128 H156 N4 O8 -","4","1","AC6182","Jing Cheng; Zhongzhen zhou; Guangfu Yang","4-[4-(Benzhydryloxy)piperidin-1-yl]-1-(4-<i>tert</i>-butylphenyl)butan-1-one","Acta Crystallographica Section E","2005","61","9","o2932","o2933","10.1107/S1600536805025353","","","0.71073","MoKα","","0.165","0.0581","","","0.1094","0.1392","","","","","","0.814","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206614","41.017","0.008","6.6341","0.0013","14.048","0.003","90","","99.733","0.003","90","","3767.6","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","O-[p-(2,2,4-Trimethylchroman-4-yl)phenyl]dimethylthiocarbamate","O-[4-(2,2,4-Trimethylchroman-4-yl)phenyl] N,N-dimethylthiocarbamate","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C168 H200 N8 O16 S8 -","8","1","AC6188","Elise J. C. de Vries; Martin W. Bredenkamp; Tia Jacobs; Gareth O. Lloyd","<i>O</i>-[4-(2,2,4-Trimethylchroman-4-yl)phenyl] <i>N</i>,<i>N</i>-dimethylthiocarbamate","Acta Crystallographica Section E","2005","61","9","o2871","o2872","10.1107/S160053680502502X","","","0.71073","MoKα","","0.0844","0.071","","","0.1545","0.1608","","","","","","1.183","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206615","7.287","0.002","26.569","0.009","7.294","0.003","90","","95.59","0.007","90","","1405.5","0.8","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2-Dihydro-1,6-dimethylphenanthro[1,2-b]furan-10,11-dione hemihydrate","","- C18 H15 O3.5 -","- C18 H15 O3.5 -","- C72 H60 O14 -","4","2","AC6189","Zhi-Yun Du; Jiang-Ke Qin; Xue-Pu Mao; Lin Ma; Lian-Quan Gu","1,2-Dihydro-1,6-dimethylphenanthro[1,2-<i>b</i>]furan-10,11-dione hemihydrate","Acta Crystallographica Section E","2005","61","9","o2937","o2938","10.1107/S1600536805025365","","","0.71073","MoKα","","0.0631","0.0365","","","0.0898","0.1042","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206616","13.7639","0.0014","8.0723","0.0007","14.1519","0.0015","90","","109.028","0.008","90","","1486.5","0.3","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Morpholino-N-(p-tolylsulfonyl)ethylamine","","- C13 H20 N2 O3 S -","- C13 H20 N2 O3 S -","- C52 H80 N8 O12 S4 -","4","1","AT6022","Akbal, Tufan; Akdemir, Nesuhi; Ağar, Erbil; Erdönmez, Ahmet","2-Morpholino-<i>N</i>-(<i>p</i>-tolylsulfonyl)ethylamine","Acta Crystallographica Section E","2005","61","9","o2826","o2827","10.1107/S1600536805024657","","","0.71073","MoKα","","0.085","0.043","","","0.095","0.108","","","","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206617","21.9799","0.0015","6.9727","0.0004","20.77","0.0013","90","","90","","90","","3183.2","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Triethylaminium picrate","","- C12 H18 N4 O7 -","- C12 H18 N4 O7 -","- C96 H144 N32 O56 -","8","2","AT6023","Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Krishnan SethuSankar; Jan Fraanje; Rene Peschar; Kandasamy Sivakumar","Triethylaminium picrate","Acta Crystallographica Section E","2005","61","9","o2987","o2989","10.1107/S1600536805025870","","","1.54178","CuKα","","0.073","0.052","","","0.144","0.165","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206618","13.393","0.0016","6.8922","0.0008","15.497","0.0018","90","","90","","90","","1430.5","0.3","292","2","292","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Ethoxy-3-isopropylbenzo[4,5]thieno[3,2-d]pyrimidin-4(3H)-one","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","0.5","AT6024","Sheng-Zhen Xu; Min-Hui Cao; Yang-Gen Hu; Ming-Wu Ding; Wen-Jing Xiao","2-Ethoxy-3-isopropylbenzo[4,5]thieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","9","o2789","o2790","10.1107/S1600536805024177","","","0.71073","MoKα","","0.058","0.0436","","","0.113","0.122","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206619","23.4583","0.0009","3.8928","0.0002","7.5495","0.0003","90","","108.376","0.002","90","","654.25","0.05","90","0.2","90","0.2","","","","","","","","4","C 1 2 1","C 2y","5","3,3',5,5'-Tetrabromo-4,4'-dihydroxybiphenyl","3,3',5,5'-Tetrabromo-4,4'-dihydroxybiphenyl","","- C12 H6 Br4 O2 -","- C12 H6 Br4 O2 -","- C24 H12 Br8 O4 -","2","0.5","AT6026","Lehmler, H.-J.; Parkin, S.","3,3',5,5'-Tetrabromo-4,4'-dihydroxybiphenyl","Acta Crystallographica Section E","2005","61","9","o2828","o2830","10.1107/S160053680502458X","","","0.71073","MoKα","","0.024","0.022","","","0.047","0.048","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206620","14.253","0.0015","4.9385","0.0005","25.868","0.002","90","","119.826","0.002","90","","1579.6","0.3","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Bis(4,4'-bipyridin-1-ium) bis(5-fluorouracil-1-acetate) monohydrate","bis(4,4'-bipyridin-1-ium) bis(5-fluoro-1,2,3,6-tetrahydro-2,6-dioxopyrimidine-3-acetate) monohydrate","","- C32 H28 F2 N8 O9 -","- C32 H28 F2 N8 O9 -","- C64 H56 F4 N16 O18 -","2","0.5","AT6028","Mao-Lin Hu","Bis(4,4'-bipyridin-1-ium) bis(5-fluorouracil-1-acetate) monohydrate","Acta Crystallographica Section E","2005","61","9","o3063","o3065","10.1107/S1600536805026851","","","0.71073","MoKα","","0.099","0.076","","","0.176","0.189","","","","","","1.17","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206621","6.358","0.002","9.382","0.003","24.646","0.008","90","","90","","90","","1470.2","0.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 4-tert-butoxycarbonyl-N-cyanopiperazine-1-carboximidothioate","","- C12 H20 N4 O2 S -","- C12 H20 N4 O2 S -","- C48 H80 N16 O8 S4 -","4","1","BD6009","Bi-Jian Lan; Peng Guo; Zhen-Guang Zou; Yin-Xiang Lu","Methyl 4-<i>tert</i>-butoxycarbonyl-<i>N</i>-cyanopiperazine-1-carboximidothioate","Acta Crystallographica Section E","2005","61","9","o3022","o3024","10.1107/S1600536805026280","","","0.71073","MoKα","","0.041","0.0336","","","0.0894","0.0975","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206622","10.117","0.005","10.401","0.005","13.934","0.007","90","","90","","90","","1466.2","1.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,4R)-N-[(S)-2-Hydroxy-1-phenylethyl]-7,7-dimethyl-2- oxobicyclo[2.2.1]heptane-1-carboxamide","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","BH6013","Cai, Yi-Min; Fang, Hua; Zeng, Qing-Le; Zhao, Yu-Fen","(1<i>S</i>,4<i>R</i>)-<i>N</i>-[(<i>S</i>)-2-Hydroxy-1-phenylethyl]-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide","Acta Crystallographica Section E","2005","61","9","o2833","o2835","10.1107/S1600536805024724","","","0.71073","Mo-Kα","","0.0449","0.0394","","","0.1109","0.1164","","","","","","1.233","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206623","7.8137","0.0009","11.0275","0.0012","13.9703","0.0015","80.796","0.002","75.547","0.002","76.001","0.002","1124.7","0.2","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","Diethyl 2-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)furan-3,4-dicarboxylate","","- C25 H24 O9 -","- C25 H24 O9 -","- C50 H48 O18 -","2","1","BH6017","Hu, Sheng-Li; Wang, Zhi-Guo; Wu, An-Xin","Diethyl 2-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)furan-3,4-dicarboxylate","Acta Crystallographica Section E","2005","61","9","o2801","o2803","10.1107/S1600536805024335","","","0.71073","MoKα","","0.0611","0.0446","","","0.1165","0.1257","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206624","14.149","0.002","10.1346","0.0015","13.3806","0.0018","90","","90","","90","","1918.7","0.5","292","2","292","2","","","","","","","","4","C m c a","-C 2ac 2","64","","2,2,6,6-Tetramethyl-piperidin-4-ol","","- C9 H19 N O -","- C9 H19 N O -","- C72 H152 N8 O8 -","8","","BH6018","Nengfang, She; Huizhen Guo; Guodong Yin; Anxin Wu","2,2,6,6-Tetramethylpiperidin-4-ol","Acta Crystallographica Section E","2005","61","9","o2902","o2903","10.1107/S1600536805024372","","","0.71073","MoKα","","0.0854","0.0525","","","0.108","0.1202","","","","","","0.877","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206625","6.7467","0.0011","14.609","0.002","17.785","0.003","90","","90","","90","","1752.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(4-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2- dihydropyrazol-3-one","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C76 H76 N12 O12 -","4","1","BH6020","Wen, Puhong","4-[(4-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one","Acta Crystallographica Section E","2005","61","9","o2918","o2920","10.1107/S1600536805025559","","","0.71073","MoKα","","0.0642","0.0395","","","0.0959","0.1076","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206626","6.319","0.002","8.153","0.003","11.529","0.004","90","","100.786","0.004","90","","583.5","0.3","202","2","202","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrachlorobis(dimethylamine)tin(IV)","","- C4 H14 Cl4 N2 Sn -","- C4 H14 Cl4 N2 Sn -","- C8 H28 Cl8 N4 Sn2 -","2","0.5","BR6205","Zhang, Yong; Tong, Hong-Bo; Liu, Dian-Sheng; Huang, Su-Ping; Zhou, Mei-Su","Tetrachlorobis(dimethylamine)tin(IV)","Acta Crystallographica Section E","2005","61","9","m1697","m1698","10.1107/S1600536805024232","","","0.71073","MoKα","","0.0565","0.0499","","","0.105","0.1081","","","","","","1.167","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206627","32.459","0.003","9.408","0.001","19.053","0.002","90","","90","","90","","5818.3","1","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","[2-(Benzimidazol-2-yl)phenolato]zinc(II)‒[2-(benzimidazol-2- yl)phenolato][2-(benzimidazol-2-yl)-4-bromophenolato]zinc(II)‒ethanol‒water (0.67/0.33/2/0.5)","","- C30 H30.67 Br0.33 N5 O4.5 Zn -","- C30 H30.67 Br0.33 N4 O4.5 Zn -","- C240 H245.36 Br2.64 N32 O36 Zn8 -","8","1","BR6209","Tong, Yi-Ping","Bis[2-(benzimidazol-2-yl)phenolato]zinc(II)‒[2-(benzimidazol-2-yl)phenolato][2-(benzimidazol-2-yl)-4-bromophenolato]zinc(II)‒ethanol‒water (0.67/0.33/2/0.5)","Acta Crystallographica Section E","2005","61","9","m1771","m1773","10.1107/S1600536805025328","","","0.71073","MoKα","","0.1355","0.0645","","","0.1657","0.2086","","","","","","0.951","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2206628","7.6309","0.0005","15.724","0.001","23.972","0.002","90","","93.235","0.001","90","","2871.7","0.3","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,6-diacetylpyridine bis(S-benzyldithiocarbazate-κ^5^N,N,N,S,S) dichloro tin(IV)","","- C25 H23 Cl2 N5 S4 Sn -","- C25 H23 Cl2 N5 S4 Sn -","- C100 H92 Cl8 N20 S16 Sn4 -","4","0.5","BR6210","Sousa, Gerimário F. de; Valdés Martínez, Jesús; Hernández-Ortega, Simón","A seven-coordinated tin(IV) complex: dichloro[2,6-diacetylpyridine bis(<i>S</i>-benzyldithiocarbazato- κ^5^<i>S</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>S</i>']tin(IV)","Acta Crystallographica, Section E","2005","61","9","o2921","o2923","10.1107/S1600536805025493","","","0.71073","MoKα","","0.0395","0.0309","","","0.0568","0.0585","","","","","","0.935","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206629","11.841","0.0007","12.594","0.0008","17.8365","0.0008","90","","123.817","0.003","90","","2209.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua(1,10-phenanthroline)bis(trichloroacetato)copper(II)","","- C16 H10 Cl6 Cu N2 O5 -","- C16 H10 Cl6 Cu N2 O5 -","- C64 H40 Cl24 Cu4 N8 O20 -","4","1","BR6211","Ping Yin; Mao-Lin Hu; Qian Miao","Aqua(1,10-phenanthroline)bis(trichloroacetato)copper(II)","Acta Crystallographica Section E","2005","61","9","m1854","m1856","10.1107/S1600536805026644","","","0.71073","MoKα","","0.0914","0.0833","","","0.1633","0.1674","","","","","","1.307","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206630","8.0147","0.0012","9.2276","0.0012","21.728","0.002","92.049","0.01","94.86","0.011","109.283","0.012","1507.8","0.4","295","2","","","","","","","","","","5","P -1","-P 1","2","","μ-Oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^-bis[aqua(2,2'-bipyridyl- κ^2^N,N')copper(II)] bis(hydrogen squarate)","","- C30 H22 Cu2 N4 O14 -","- C30 H22 Cu2 N4 O14 -","- C60 H44 Cu4 N8 O28 -","2","1","BT6702","Reinoso, Santiago; Vitoria, Pablo; San Felices, Leire; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[aqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(hydrogen squarate)","Acta Crystallographica Section E","2005","61","9","m1677","m1679","10.1107/S1600536805024165","","","0.71073","MoKα","","0.1044","0.0416","","","0.074","0.0808","","","","","","0.764","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206631","24.643","0.002","9.394","0.001","18.857","0.001","90","","101.97","0.01","90","","4270.4","0.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-propionato-bis[dicarbonyl(triphenylphosphine)ruthenium(I)](Ru—Ru)","","- C46 H40 O8 P2 Ru2 -","- C46 H40 O8 P2 Ru2 -","- C184 H160 O32 P8 Ru8 -","4","0.5","BT6705","Rubén Gaviño; Sylvain Pellegrini; Yves Castanet; André Mortreux","Di-μ-propionato-bis[dicarbonyl(triphenylphosphine)ruthenium(I)](<i>Ru{—</i>Ru})","Acta Crystallographica Section E","2005","61","9","m1762","m1764","10.1107/S160053680502427X","","","0.71073","MoKα","","0.0581","0.0374","","","0.0796","0.089","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206632","9.626","0.002","11.675","0.002","14.062","0.003","90","","104.762","0.004","90","","1528.2","0.5","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-methyl-N-(ferrocenylmethyl)aniline","","- C18 H19 Fe N -","- C18 H19 Fe N -","- C72 H76 Fe4 N4 -","4","1","BT6706","Ying-Jie Li; Hong-Xing Wang; Jian-Feng Hou","<i>N</i>-Methyl-<i>N</i>-(ferrocenylmethyl)aniline","Acta Crystallographica Section E","2005","61","9","m1785","m1786","10.1107/S1600536805025262","","","0.71073","MoKα","","0.0654","0.0389","","","0.0864","0.1002","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206633","17.2192","0.0013","18.0407","0.0014","15.4424","0.0012","90","","90","","90","","4797.1","0.6","295","2","295","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","2-Methoxy-4-(phenyliminomethyl)phenol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C224 H208 N16 O32 -","16","2","BT6708","Lin, Zhi-Dong; Lin, Zhi-Dong; Li, Xing; Huang, Ya-min","2-Methoxy-4-(phenyliminomethyl)phenol","Acta Crystallographica Section E","2005","61","9","o3032","o3033","10.1107/S1600536805026164","","","0.71073","MoKα","","0.0419","0.0358","","","0.0892","0.0934","","","","","","1.154","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206634","8.6501","0.0008","25.738","0.002","10.9358","0.001","90","","97.901","0.002","90","","2411.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-(4-Methoxyphenyl)-1'-methyl-9H-fluorene-9-spiro-3'-pyrrolidine-2'-spiro- 2''-indane-1'',3''-dione","","- C32 H25 N O3 -","- C32 H25 N O3 -","- C128 H100 N4 O12 -","4","1","BT6709","A. Subbiahpandi; S. Selvanayagam; D. Velmurugan; K. Ravikumar; J. Jayashankaran; R. Raghunathan","4'-(4-Methoxyphenyl)-1'-methyl-9<i>H</i>-fluorene-9-spiro-3'-pyrrolidine-2'-spiro-2''-indan-1'',3''-dione","Acta Crystallographica Section E","2005","61","9","o3059","o3060","10.1107/S1600536805026401","","","0.71073","MoKα","","0.0987","0.0626","","","0.1432","0.161","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206635","6.2396","0.0004","15.4657","0.001","22.332","0.0014","90","","90","","90","","2155","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-fluorophenyl)-3(R)-[3-(4-fluorophenyl)-3(S)-hydroxypropyl]-4(S)- (4-hydroxyphenyl)azetidin-2-one monohydrate","","- C24 H23 F2 N O4 -","- C24 H23 F2 N O4 -","- C96 H92 F8 N4 O16 -","4","1","BT6710","Ravikumar, Krishnan; Sridhar, Balasubramanian","Ezetimibe monohydrate","Acta Crystallographica Section E","2005","61","9","o2907","o2909","10.1107/S1600536805025419","","","0.71073","MoKα","","0.0456","0.0408","","","0.0882","0.0903","","","","","","1.166","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206636","5.5","0.005","7.794","0.005","22.961","0.005","81.893","0.005","83.761","0.005","78.102","0.005","950.3","1.1","263","2","263","2","","","","","","","","5","P -1","-P 1","2","[C~12~mim]Br.H~2~O","1-Dodecyl-3-methylimidazolium bromide monohydrate","","- C16 H33 Br N2 O -","- C16 H33 Br N2 O -","- C32 H66 Br2 N4 O2 -","2","1","BT6712","Getsis, Anna; Mudring, Anja-Verena","1-Dodecyl-3-methylimidazolium bromide monohydrate","Acta Crystallographica Section E","2005","61","9","o2945","o2946","10.1107/S1600536805025717","","","0.71073","MoKα","","0.035","0.0263","","","0.0652","0.0694","","","","","","1.037","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206637","4.4286","0.0004","7.4756","0.0006","12.4664","0.0012","96.032","0.004","98.347","0.004","96.155","0.004","402.93","0.06","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","2,2''-bis(bromomethyl)-p-terphenyl","","- C20 H16 Br2 -","- C20 H16 Br2 -","- C20 H16 Br2 -","1","0.5","BT6714","Jones, Peter G.; Kuś, Piotr","2,2''-Bis(bromomethyl)-<i>p</i>-terphenyl","Acta Crystallographica Section E","2005","61","9","o2947","o2948","10.1107/S1600536805025614","","","0.71073","MoKα","","0.0317","0.0246","","","0.0554","0.0573","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206638","23.4523","0.0015","23.4523","0.0015","25.4022","0.0018","90","","90","","120","","12099.7","1.4","170","2","170","2","","","","","","","","4","R -3 :H","-R 3","148","Tris(o-methylthiophenyl)phosphine","Tris[2-(methylsulfanyl)phenyl]phosphine","","- C21 H21 P S3 -","- C21 H21 P S3 -","- C504 H504 P24 S72 -","24","1.33333","BT6715","Uttecht, Jan-Georg; Tuczek, Felix; Näther, Christian","Tris[2-(methylsulfanyl)phenyl]phosphine","Acta Crystallographica Section E","2005","61","9","o2916","o2917","10.1107/S1600536805025602","","","0.71073","MoKα","","0.0688","0.0539","","","0.1279","0.1352","","","","","","1.035","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206639","7.3463","0.00018","8.58832","0.00018","9.414","0.0002","74.888","0.002","89.897","0.001","85.238","0.001","571.31","0.02","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Dichloro[bis(2-pyridyl)amine]zinc(II)","","- C10 H9 Cl2 N3 Zn -","- C10 H9 Cl2 N3 Zn -","- C20 H18 Cl4 N6 Zn2 -","2","1","BT6716","Lutz, Martin; Spek, Anthony L.; Bruijnincx, Pieter C. A.; Klein Gebbink, Robertus J. M.; van Koten, Gerard","Dichloro(di-2-pyridylamine)zinc(II): a redetermination at 110 K","Acta Crystallographica Section E","2005","61","9","m1813","m1815","10.1107/S1600536805025973","","","0.71073","MoKα","","0.0245","0.0196","","","0.0453","0.047","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206640","13.092","0.004","15.041","0.005","8.256","0.003","90","","98.649","0.007","90","","1607.3","0.9","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","2'-Hydroxy-4,4',5',6'-tetramethoxychalcone","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","BT6717","Wafo, Pascal; Hussain, Hidayat; Kouam, Simeon F.; Ngadjui, Bonaventure T.; Flörke, Ulrich; Krohn, Karsten","2'-Hydroxy-4,4',5',6'-tetramethoxychalcone","Acta Crystallographica Section E","2005","61","9","o3017","o3019","10.1107/S1600536805026292","","","0.71073","MoKα","","0.0859","0.0504","","","0.0814","0.0884","","","","","","0.908","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206641","21.075","0.002","7.4723","0.0007","8.2054","0.0007","90","","97.524","0.002","90","","1281.1","0.2","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rac-(1R,1aR,4S,6aS)-Ethyl 4-carboxy-1,1a,2,3,4,5,6,6a-octahydrocyclopropa[f]indene-1-carboxylate","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","BT6719","Jones, Peter G.; Hopf, Henning; Hussain, Zakir","<i>rac</i>-(1<i>R</i>,1a<i>R</i>,4<i>S</i>,6a<i>S</i>)-Ethyl 4-carboxy-1,1a,2,3,4,5,6,6a-octahydrocyclopropa[<i>f</i>]indene-1-carboxylate","Acta Crystallographica Section E","2005","61","9","o3034","o3035","10.1107/S1600536805026565","","","0.71073","MoKα","","0.0975","0.0448","","","0.0904","0.1077","","","","","","0.78","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206642","7.8212","0.0016","46.154","0.004","6.7885","0.0008","90","","90","","90","","2450.5","0.6","295","2","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N,N'-Diethyl-4,4'-dinitrohydrazobenzene","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C96 H108 N24 O24 -","6","1.5","BT6721","Liu, Wei; Ma, Yuan; Wang, Ru-Ji; Yin, Ying-Wu; Zhao, Yu-Fen","<i>N</i>,<i>N</i>'-Diethyl-4,4'-dinitrohydrazobenzene","Acta Crystallographica Section E","2005","61","9","o3069","o3070","10.1107/S1600536805026863","","","0.71073","MoKα","","0.0859","0.047","","","0.0888","0.1071","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206643","8.2896","0.0014","9.7588","0.0016","10.5669","0.0017","90.153","0.003","109.629","0.002","101.455","0.002","786.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[N-Methyl-N-(3-nitrophenyl)aminomethyl]ferrocene","","- C18 H18 Fe N2 O2 -","- C18 H18 Fe N2 O2 -","- C36 H36 Fe2 N4 O4 -","2","1","BT6723","Hong-Xing Wang; Ying-Jie Li; Hong-Fei Wu; Hui-Chao Zhou; Ren-Qing Gao; Feng-Ying Geng","[<i>N</i>-Methyl-<i>N</i>-(3-nitrophenyl)aminomethyl]ferrocene","Acta Crystallographica Section E","2005","61","9","m1871","m1872","10.1107/S160053680502711X","","","0.71073","MoKα","","0.032","0.027","","","0.0686","0.0728","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206644","10.4862","0.0003","15.1938","0.0002","17.4233","0.0003","90","","99.01","0.002","90","","2741.72","0.1","299","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","[μ~2~-bis(salicylidene)propane-1,3- diaminato]dichlorobis(N,N-dimethylformamide)nickel(II)}zinc(II)","","- C23 H30 Cl2 N4 Ni O4 Zn -","- C23 H30 Cl2.001 N4 Ni O4 Zn -","- C92 H120 Cl8.004 N16 Ni4 O16 Zn4 -","4","1","BV6019","Ercan, Filiz","A new Ni‒Zn heterodinuclear complex: [μ~2~-bis(salicylidene)propane-1,3-diaminato]dichlorobis(<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)zinc(II)","Acta Crystallographica Section E","2005","61","9","m1804","m1806","10.1107/S1600536805025821","","","0.71073","MoKα","","","0.0361","","","","0.0996","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206645","10.016","0.001","12.174","0.001","13.848","0.001","96.983","0.002","101.346","0.002","99.316","0.002","1613","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","cis-diaquabis(1,10-phenanthroline)nickel(II) 5-sulfonatosalicylate tetrahydrate","","- C31 H32 N4 Ni O12 S -","- C31 H32 N4 Ni O12 S -","- C62 H64 N8 Ni2 O24 S2 -","2","1","BV6023","Chen, Jian-Mei; Fan, Sai-Rong; Zhu, Long-Guan","<i>cis</i>-Diaquabis(1,10-phenanthroline)nickel(II) 5-sulfonatosalicylate tetrahydrate","Acta Crystallographica Section E","2005","61","9","m1724","m1726","10.1107/S1600536805024694","","","0.71073","MoKα","","0.0518","0.0469","","","0.1108","0.1137","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206646","9.5225","0.0016","8.6825","0.0015","19.21","0.003","90","","99.91","0.03","90","","1564.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[bis(1H-imidazole-κN^3^)zinc(II)]-μ-5-nitrobenzene- 1,3-dicarboxylato-κ^2^O^1^:O^3^]","","- C14 H11 N5 O6 Zn -","- C14 H11 N5 O6 Zn -","- C56 H44 N20 O24 Zn4 -","4","1","BV6024","Zhang, Hong-Tao; Li, Yi-Zhi; Xu, Li; You, Xiao-Zeng","A one-dimensional herring-bone coordination polymer, <i>catena</i>-poly[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ-5-nitrobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","Acta Crystallographica Section E","2005","61","9","m1727","m1729","10.1107/S1600536805024876","","","0.71073","MoKα","","0.0747","0.0556","","","0.0903","0.0954","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206647","10.2197","0.0004","10.2197","0.0004","28.3118","0.0014","90","","90","","120","","2560.79","0.19","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","Hexakis(1-oxido-1H-benzotriazol-3-ium-κO)iron(III) tris(perchlorate) acetonitrile disolvate","","- C40 H36 Cl3 Fe N20 O18 -","- C40 H36 Cl3 Fe N20 O18 -","- C80 H72 Cl6 Fe2 N40 O36 -","2","0.166667","BV6025","Zhang, Xian-Ming","Hexakis(1-oxido-1<i>H</i>-benzotriazol-3-ium-κ<i>O</i>)iron(III) tris(perchlorate) acetonitrile disolvate","Acta Crystallographica, Section E","2005","61","9","o1799","o1800","10.1107/S1600536805025882","","","0.71073","MoKα","","0.0558","0.0411","","","0.0965","0.1136","","","","","","1.142","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206648","13.413","0.002","13.115","0.002","7.104","0.001","90","","90","","90","","1249.7","0.3","291","2","291","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N-3-nitrobenzylidene-p-toluidine N-p-toluidene-3-nitrobenzeneamine","N-[(3-nitrophenyl)methylene]-4-methylbenzenamine N-(4-methylphenyl)-3-nitrobenzylideneamine","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","BV6026","Wen Yang; Yan Zhang; De-Chun Zhang","<i>N</i>-(3-Nitrobenzylidene)-<i>p</i>-toluidine","Acta Crystallographica Section E","2005","61","9","o2964","o2966","10.1107/S160053680502581X","","","0.71073","MoKα","","0.0606","0.0362","","","0.0762","0.0838","","","","","","0.927","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206649","8.9037","0.0016","9.1916","0.0015","13.95","0.002","105.927","0.012","91.443","0.013","110.871","0.014","1016.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","Mercapto-N-phenylformimidoyl-1-ethyl-3-(2-morpholinoethyl)benzimidazoliniuum inner salt","[1-ethyl-3-(2-morpholinoethyl)benzimidazolio](phenylimino)methanethiolate","","- C22 H26 N4 O S -","- C22 H26 N4 O S -","- C44 H52 N8 O2 S2 -","2","1","CF6448","Mehmet Akkurt; Selvi Karaca; Hasan Küçükbay; Ülkü Yılmaz; Orhan Büyükgüngör","Mercapto-<i>N</i>-phenylformimidoyl-1-ethyl-3-(2-morpholinoethyl)benzimidazolinium inner salt","Acta Crystallographica Section E","2005","61","9","o2875","o2877","10.1107/S1600536805024852","","","0.71073","MoKα","","0.1294","0.0741","","","0.1548","0.1834","","","","","","1.012","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206650","9.2564","0.0015","9.7534","0.0015","11.4425","0.0018","65.621","0.002","75.971","0.003","76.993","0.002","903.7","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","9,10-Bis[3-(2-pyridylmethyl)imidazolium-1-ylmethyl]anthracene bis(hexafluorophosphate)","","- C34 H30 F12 N6 P2 -","- C34 H30 F12 N6 P2 -","- C34 H30 F12 N6 P2 -","1","0.5","CI6612","Yong-Sheng Liu; Feng-Bo Xu; Jun-Wen Wang; Qing-Shan Li; Hai-Bin Song; Zheng-Zhi Zhang","9,10-Bis[3-(2-pyridylmethyl)imidazolium-1-ylmethyl]anthracene bis(hexafluorophosphate)","Acta Crystallographica Section E","2005","61","9","o2930","o2931","10.1107/S1600536805023196","","","0.71073","MoKα","","0.1032","0.0647","","","0.1856","0.2185","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206651","21.08","0.02","10.927","0.011","12.767","0.009","90","","111.12","0.02","90","","2743","4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-[4-(Pyrrolidin-1-ylcarbonylmethoxy)phenyl]acetamide","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C112 H144 N16 O24 -","8","1","CI6620","Sundar, T. V.; Parthasarathi, V.; Walfort, B.; Lang, H.; Piplani, P.; Malik, R.","<i>N</i>-[4-(Pyrrolidin-1-ylcarbonylmethoxy)phenyl]acetamide","Acta Crystallographica Section E","2005","61","9","o2868","o2870","10.1107/S1600536805024979","","","0.71073","MoKα","","0.0932","0.0588","","","0.1582","0.1825","","","","","","1.037","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206652","10.272","0.003","10.646","0.003","17.697","0.005","103.948","0.005","95.457","0.005","92.632","0.005","1864.9","0.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","magnolol","5,5'-Diallylbiphenyl-2,2'-diol‒1,4-diazabicyclo[2.2.2]octane (2/1)","","- C42 H48 N2 O4 -","- C42 H48 N2 O4 -","- C84 H96 N4 O8 -","2","1","CI6621","Zhi-Min Jin; Li Li; Bing Tu; Mao-Lin Hu","5,5'-Diallylbiphenyl-2,2'-diol‒1,4-diazabicyclo[2.2.2]octane (2/1)","Acta Crystallographica Section E","2005","61","9","o2939","o2941","10.1107/S1600536805025638","","","0.71073","MoKα","","0.0788","0.0556","","","0.1176","0.1233","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206653","7.7015","0.0003","7.8357","0.0003","21.1617","0.0007","90","","99.9257","0.0017","90","","1257.92","0.08","173","1","173","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","PCB 84","2,2',3,3',6-Pentachlorobiphenyl","","- C12 H5 Cl5 -","- C12 H5 Cl5 -","- C48 H20 Cl20 -","4","1","CI6622","Lehmler, H.-J.; Robertson, L.W.; Parkin, S.","2,2',3,3',6-Pentachlorobiphenyl (PCB 84)","Acta Crystallographica Section E","2005","61","9","o3025","o3026","10.1107/S1600536805025900","","","0.71073","MoKα","","0.045","0.0322","","","0.0733","0.0777","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206654","14.86","0.003","13.56","0.002","24.959","0.005","90","","90","","90","","5029.3","1.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]cobalt(II)","","- C26 H30 Cl2 Co N2 O2 -","- C26 H30 Cl2 Co N2 O2 -","- C208 H240 Cl16 Co8 N16 O16 -","8","1","CI6623","Li, Zong-Xiao; Zhang, Xin-Li","Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]cobalt(II)","Acta Crystallographica Section E","2005","61","9","o2806","o2807","10.1107/S1600536805024384","","","0.71073","MoKα","","0.0727","0.0345","","","0.0631","0.069","","","","","","0.846","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206655","8.414","0.002","9.513","0.002","10.497","0.002","102.57","0.03","96.58","0.03","97.08","0.03","805.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3- carboxylic acid","","- C18 H18 F N3 O4 -","- C18 H18 F N3 O4 -","- C36 H36 F2 N6 O8 -","2","1","CI6625","Xian-Wen Li; Feng Zhi; Jian-Hua Shen; Yi-Qiao Hu","1-Cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. Corrigendum","Acta Crystallographica Section E","2005","61","9","e3","e3","10.1107/S1600536805024426","","","0.71073","MoKα","","0.1092","0.0498","","","0.116","0.14","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206656","8.356","0.002","21.62","0.005","8.153","0.002","90","","105.592","0.004","90","","1418.7","0.6","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(4-Nitrophenyl)-9H-carbazole","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C72 H48 N8 O8 -","4","1","CI6626","Chen, Lian-Qing; Yang, Chu-Luo; Meng, Xiang-Gao; Qin, Jin-Gui","9-(4-Nitrophenyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2005","61","9","o3073","o3075","10.1107/S160053680502708X","","","0.71073","MoKα","","0.0646","0.0453","","","0.1107","0.1196","","","","","","0.964","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206657","9.993","0.002","14.223","0.003","10.175","0.002","90","","90","","90","","1446.2","0.5","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","Thionordazepam","7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione","","- C15 H11 Cl N2 S -","- C15 H11 Cl N2 S -","- C60 H44 Cl4 N8 S4 -","4","1","CI6627","Narasegowda, R. S.; Vijaya, T.; Yathirajan, H. S.; Nagaraja, P.; Narasimhamurthy, T.; Rathore, R. S.","Thionordazepam: strong intermolecular N—H···N hydrogen-bonded chains","Acta Crystallographica Section E","2005","61","9","o2934","o2936","10.1107/S1600536805025286","","","0.71073","MoKα","","0.1507","0.0615","","","0.1143","0.1416","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206658","7.9738","0.0017","36.351","0.008","11.875","0.003","90","","92.012","0.003","90","","3439.9","1.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","3β-E-feruloyllupeol","1-Isopropenyl-3a,5a,5b,8,8,11a-hexamethylicosahydro-1H-cyclopenta[a]chrysen- 9-yl 4-hydroxy-3-methoxycinnamate","","- C40 H58 O4 -","- C40 H58 O4 -","- C160 H232 O16 -","4","2","CI6628","Charoen Pakhathirathien; Suchada Chantrapromma; Hoong-Kun Fun; Shazia Anjum; Attar-ur-Rahman; Chachanok Karalai","1-Isopropenyl-3a,5a,5b,8,8,11a-hexamethylicosahydro-1<i>H</i>-cyclopenta[<i>a</i>]chrysen-9-yl 4-hydroxy-3-methoxycinnamate","Acta Crystallographica Section E","2005","61","9","o2942","o2944","10.1107/S1600536805025584","","","0.71073","MoKα","","0.0992","0.0893","","","0.2562","0.2642","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206659","14.848","0.002","13.567","0.002","24.993","0.005","90","","90","","90","","5034.7","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]zinc(II)","","- C26 H30 Cl2 N2 O2 Zn -","- C26 H30 Cl2 N2 O2 Zn -","- C208 H240 Cl16 N16 O16 Zn8 -","8","1","CI6629","Li, Zong-Xiao; Zhang, Xin-Li","Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]zinc(II)","Acta Crystallographica Section E","2005","61","9","m1755","m1756","10.1107/S1600536805025250","","","0.71073","MoKα","","0.0899","0.0373","","","0.0661","0.0746","","","","","","0.901","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206660","7.592","0.004","14.147","0.007","11.342","0.007","90","","95.231","0.002","90","","1213.1","1.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","CI6630","Mahendra, M; Khanum, S. A.; Singh, A.; Shashikanth, S.; Doreswamy, B. H.; Sridhar, M. A.; Shashidhara Prasad, J.","(4-Methoxyphenyl)(2-methylphenyl)methanone","Acta Crystallographica Section E","2005","61","9","o2990","o2991","10.1107/S1600536805025912","","","0.71073","MoKα","","0.0555","0.0476","","","0.1278","0.1427","","","","","","1.189","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206661","12.428","0.001","8.755","0.001","20.048","0.001","90","","104.2","0.01","90","","2114.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 N8 Ni O16 -","- C34 H58 N8 Ni O16 -","- C68 H116 N16 Ni2 O32 -","2","0.5","CI6631","You, Zhong-Lu","Bis{2-[3-(cyclohexylaminio)propyliminomethyl]-4-nitrophenolato}dimethanolnickel(II) dinitrate dihydrate","Acta Crystallographica Section E","2005","61","9","m1807","m1809","10.1107/S1600536805026024","","","0.71073","MoKα","","0.0465","0.0384","","","0.1017","0.1068","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206662","6.6848","0.0009","5.1036","0.0007","19.596","0.003","90","","92.848","0.002","90","","667.72","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-diphenylsuccinamide","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","0.5","CI6632","Shazia Anjum; M. Iqbal Choudhary; Shamsher Ali; Hoong-Kun Fun; Atta-ur-Rahman","<i>N</i>,<i>N</i>'-Diphenylsuccinamide","Acta Crystallographica Section E","2005","61","9","o3001","o3002","10.1107/S1600536805025924","","","0.71073","MoKα","","0.0442","0.0409","","","0.1101","0.1143","","","","","","1.161","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206663","8.094","0.005","9.468","0.006","13.152","0.008","104.657","0.009","92.706","0.008","115.133","0.008","868.9","0.9","293","2","566","2","","","","","","","","4","P -1","-P 1","2","","4-(4-ethoxyphenyl)-3,5-di-2-pyridyl-4H-1,2,4-triazole","","- C20 H17 N5 O -","- C20 H17 N5 O -","- C40 H34 N10 O2 -","2","1","CI6635","Zhang, Shu-Ping; Liu, Zhao-Di; Yang, Song; Qiu, Xiao-Yang; Shao, Si-Chang","4-(4-Ethoxyphenyl)-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2005","61","9","o3108","o3109","10.1107/S1600536805026541","","","0.71073","MoKα","","0.0745","0.0457","","","0.1097","0.1203","","","","","","0.873","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206664","7.819","0.0007","10.5726","0.0009","21.836","0.0019","90","","90","","90","","1805.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ent-kaurane","16β,17-Dihydroxy-ent-kauran-19-oic acid","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","CI6636","Nasir Rasool; Viqar Uddin Ahmad; M. Iqbal Choudhary; Shazia Anjum; Hoong-Kun Fun; Shamsher Ali","16β,17-Dihydroxy-<i>ent</i>-kauran-19-oic acid","Acta Crystallographica Section E","2005","61","9","o3053","o3055","10.1107/S1600536805026528","","","0.71073","MoKα","","0.0332","0.0325","","","0.0863","0.0874","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206665","7.303","0.001","8.009","0.001","11.995","0.001","100.181","0.001","101.946","0.001","100.855","0.001","656.9","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Dichloro[N,N'-dimethyl-N'-(2-pyridylmethylidene)ethane-1,2-diamine]copper(II)","","- C10 H15 Cl2 Cu N3 -","- C10 H15 Cl2 Cu N3 -","- C20 H30 Cl4 Cu2 N6 -","2","1","CI6639","Yuan, Wen-Bing; Zhang, Qi","Dichloro[<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-(2-pyridylmethylidene)ethane-1,2-diamine]copper(II)","Acta Crystallographica Section E","2005","61","9","m1883","m1884","10.1107/S1600536805026814","","","0.71073","MoKα","","0.0276","0.0253","","","0.0586","0.06","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206666","20.0802","0.0003","7.136","0.0001","20.7415","0.0003","90","","114.399","0.001","90","","2706.66","0.07","100","0.1","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-hydroxy-3,7-dimethoxyflavone","5-Hydroxy-3,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one","","- C17 H14 O5 -","- C17 H14 O5 -","- C136 H112 O40 -","8","2","CI6644","Hoong-Kun Fun; Abdul Razak Ibrahim; Nawong Boonnak; Surat Laphookhieo; Suchada Chantrapromma","5-Hydroxy-3,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section E","2005","61","9","o3086","o3088","10.1107/S1600536805026991","","","0.71073","MoKα","","0.0567","0.0448","","","0.1282","0.1421","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206667","4.474","0.0008","7.663","0.0008","16.463","0.002","94.685","0.011","94.945","0.009","98.276","0.013","553.93","0.14","122","2","122","2","","","","","","","","4","P -1","-P 1","2","2,3-Bis(bromomethyl)-1,4-dimethoxybenzene","2,3-Bis(bromomethyl)-1,4-dimethoxybenzene","","- C10 H12 Br2 O2 -","- C10 H12 Br2 O2 -","- C20 H24 Br4 O4 -","2","1","CV6550","Peter Hammershøj; Jørn B. Christensen","2,3-Bis(bromomethyl)-1,4-dimethoxybenzene","Acta Crystallographica Section E","2005","61","9","o2839","o2840","10.1107/S1600536805025079","","","0.71073","MoKα","","0.0447","0.0285","","","0.0564","0.0634","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206668","7.1449","0.0008","12.1932","0.0007","15.79","0.002","102.435","0.004","98.938","0.006","92.123","0.005","1323.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Dimethylamminiomethyl-6,8-dimethyl-2-phenyl-1,2- dihydroimidazo[1,2-a][1,8]naphthyridine picrate monohydrate","","- C27 H27 N7 O8 -","- C27 H27 N7 O8 -","- C54 H54 N14 O16 -","2","1","CV6551","Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Krishnan SethuSankar; Jan Fraanje; Rene Peschar; Kandasamy Sivakumar","1-Dimethylammoniomethyl-6,8-dimethyl-2-phenyl-1,2-dihydroimidazo[1,2-<i>a</i>][1,8]naphthyridine picrate monohydrate","Acta Crystallographica Section E","2005","61","9","o2910","o2912","10.1107/S160053680502547X","","","1.54178","CuKα","","0.0611","0.0539","","","0.1525","0.1589","","","","","","1.099","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206669","16.566","0.0009","17.142","0.0016","8.672","0.0012","90","0.007","98.672","0.007","90","0.008","2434.5","0.4","122","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Bromo-3,4-bis(bromomethyl)-2,5-dimethoxybenzene","1-Bromo-3,4-bis(bromomethyl)-2,5-dimethoxybenzene","","- C10 H11 Br3 O2 -","- C10 H11 Br3 O2 -","- C80 H88 Br24 O16 -","8","2","CV6552","Peter Hammershøj; Erik Riis; Jørn B. Christensen","1-Bromo-3,4-bis(bromomethyl)-2,5-dimethoxybenzene","Acta Crystallographica Section E","2005","61","9","o2997","o2998","10.1107/S1600536805025444","","","0.71073","MoKα","","0.0672","0.0412","","","0.0683","0.0784","","","","","","1.159","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206670","18.1665","0.0013","11.0409","0.0008","32.197","0.002","90","","90.138","0.001","90","","6457.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(benzylthio)maleonitrile","Bis(benzylsulfanyl)maleonitrile","","- C18 H14 N2 S2 -","- C18 H14 N2 S2 -","- C288 H224 N32 S32 -","16","4","CV6553","Backiel, Stanley; Bajrami, Besnik; Hunter, Allen D.; Zeller, Matthias; Lesley, M. J. Gerald","Bis(benzylsulfanyl)maleonitrile","Acta Crystallographica Section E","2005","61","9","o2817","o2819","10.1107/S1600536805024414","","","0.71073","MoKα","","0.0378","0.035","","","0.0877","0.0894","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206671","6.0091","0.0007","6.4829","0.0008","12.203","0.0015","81.136","0.01","80.67","0.01","69.04","0.01","435.67","0.1","296","1","296","1","","","","","","","","4","P 1","P 1","1","","(-)-1-Benzyl-4-[1(S)-phenylethylamino]-5,6-dihydropyridin-2(1H)-one","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C20 H22 N2 O -","1","1","CV6556","Romero, Nancy; Terán, Joel L.; Gnecco, Dino; Bernès, Sylvain","(‒)-1-Benzyl-4-[1(<i>S</i>)-phenylethylamino]-5,6-dihydropyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","9","o2924","o2926","10.1107/S160053680502413X","","","0.71073","MoKα","","0.043","0.0338","","","0.0837","0.0895","","","","","","1.014","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2206672","5.5309","0.001","12.172","0.002","26.121","0.004","90","","90","","90","","1758.5","0.5","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-1-Benzyl-4-[(1R)-2-hydroxy-1-phenylethylamino]-5,6-dihydropyridin-2(1H)-one","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","CV6557","Romero, Nancy; Terán, Joel L.; Gnecco, Dino; Bernès, Sylvain","(‒)-1-Benzyl-4-[(1<i>R</i>)-2-hydroxy-1-phenylethylamino]-5,6-dihydropyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","9","o2927","o2929","10.1107/S1600536805024141","","","0.71073","MoKα","","0.0596","0.0428","","","0.1054","0.1204","","","","","","1.017","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2206673","8.5514","0.0003","8.341","0.0003","17.6134","0.0007","90","","106.939","0.002","90","","1201.81","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Tetrachlorobis[(E)-ethyl 2-(1-iminopropoxyimino)propanoate]platinum(IV)","","- C16 H28 Cl4 N4 O6 Pt -","- C16 H28 Cl4 N4 O6 Pt -","- C32 H56 Cl8 N8 O12 Pt2 -","2","0.5","CV6558","Luzyanin, Konstantin; Haukka, Matti; Izotova, Yulia A.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.","<i>trans</i>-Tetrachlorobis[(<i>E</i>)-ethyl 2-(1-iminopropoxyimino)propanoate]platinum(IV)","Acta Crystallographica Section E","2005","61","9","m1765","m1767","10.1107/S1600536805025183","","","0.71073","MoKα","","0.0297","0.0202","","","0.0401","0.0423","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206674","9.39703","0.00016","7.28424","0.00016","21.9483","0.0003","90","","95.802","0.0011","90","","1494.67","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hydrochlorothiazide‒methyl acetate (1/1)","","","- C10 H14 Cl N3 O6 S2 -","- C10 H14 Cl N3 O6 S2 -","- C40 H56 Cl4 N12 O24 S8 -","4","1","CV6560","Florence, Alastair J.; Johnston, Andrea; Shankland, Kenneth","Powder study of hydrochlorothiazide‒methyl acetate (1/1)","Acta Crystallographica Section E","2005","61","9","o2974","o2977","10.1107/S1600536805025651","","","1.54056","CuKα~1~","","","","","","","","","","1.448","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206675","10.4874","0.0006","6.5998","0.0003","10.7986","0.0004","90","","106.57","0.002","90","","716.38","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Aqua(2,2'-bipyridine-κ^2^N,N')(L-malato-κ^3^O,O',O'')copper(II)","","- C14 H14 Cu N2 O6 -","- C14 H14 Cu N2 O6 -","- C28 H28 Cu2 N4 O12 -","2","1","CV6564","He, Long","Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(<small>L</small>-malato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')copper(II)","Acta Crystallographica Section E","2005","61","9","m1752","m1754","10.1107/S1600536805025274","","","0.71069","MoKα","","0.0296","0.0277","","","0.069","0.0698","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206676","10.012","0.0002","10.389","0.0002","14.222","0.0004","104.619","0.001","89.923","0.001","112.754","0.0012","1312.3","0.05","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","trans-Dichloro(4-chloroaniline-κN)(triphenylphosphine-κP)palladium(II) dichloromethane solvate","","- C25 H23 Cl5 N P Pd -","- C25 H23 Cl5 N P Pd -","- C50 H46 Cl10 N2 P2 Pd2 -","2","1","CV6568","Maliha Asma; Werner Kaminsky; Amin Badshah","<i>trans</i>-Dichloro(2-chloroaniline-κ<i>N</i>)(triphenylphosphine-κ<i>P</i>)palladium(II) dichloromethane solvate","Acta Crystallographica Section E","2005","61","9","m1797","m1798","10.1107/S1600536805025729","","","0.71073","MoKα","","0.0817","0.0441","","","0.1033","0.1164","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206677","7.3474","0.0015","10.972","0.002","15.186","0.003","90","","90.27","0.03","90","","1224.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(tropolonato)palladium(II)","","- C14 H10 O4 Pd -","- C14 H10 O4 Pd -","- C56 H40 O16 Pd4 -","4","1","CV6570","Steyl, Gideon","Bis(tropolonato)palladium(II)","Acta Crystallographica Section E","2005","61","9","m1860","m1862","10.1107/S1600536805026619","","","0.71073","MoKα","","0.043","0.0289","","","0.0706","0.0754","","","","","","1.046","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206678","13.1389","0.0003","25.6885","0.0005","31.1822","0.0007","90","","90","","90","","10524.6","0.4","295","1","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","di-μ-aqua-1:2κ^4^O:O-triaqua-1κ^3^O-dilosartanido-1κN;2κ^2^N,N'- dipotassium dihydrate","","- C22 H29 Cl K N6 O4.5 -","- C22 H29 Cl K N6 O4.5 -","- C352 H464 Cl16 K16 N96 O72 -","16","2","DN6239","Xiu-Rong Hu; Yun-Wu Wang; Jian-Ming Gu","Losartan potassium 3.5-hydrate, a new crystalline form","Acta Crystallographica Section E","2005","61","9","m1686","m1688","10.1107/S1600536805024001","","","0.7107","MoKα","","","0.054","","","","0.124","","","","","","1.023","","","","has coordinates,has Fobs","184482","2020-10-21","18:00:00",""
"2206679","4.3633","0.0005","9.2982","0.0011","16.7339","0.0017","94.781","0.009","93.394","0.009","100.822","0.009","662.57","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(E)-Ethyl 4-chloro-3-[2-(2-fluorophenyl)hydrazono]butanoate","","- C12 H12 Cl F N2 O3 -","- C12 H12 Cl F N2 O3 -","- C24 H24 Cl2 F2 N4 O6 -","2","1","DN6242","Alpaslan, Gökhan; Özdamar, Özgür; Odabaşoğlu, Mustafa; Ersanlı, Cem Cüneyt; Büyükgüngör, Orhan; Erdönmez, Ahmet","(<i>E</i>)-Ethyl 4-chloro-3-[2-(2-fluorophenyl)hydrazono]butanoate","Acta Crystallographica Section E","2005","61","9","o2823","o2825","10.1107/S1600536805024153","","","0.71073","MoKα","","0.0757","0.0364","","","0.0896","0.099","","","","","","0.829","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206680","8.8699","0.0006","19.7245","0.0013","10.8701","0.0007","90","","111.508","0.001","90","","1769.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexaaquazinc(II) bis[trichloro(3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6- dione-κN^9^)zincate(II)] dihydrate","","- C16 H36 Cl6 N8 O12 Zn3 -","- C16 H36 Cl6 N8 O12 Zn3 -","- C32 H72 Cl12 N16 O24 Zn6 -","2","0.5","DN6245","Zhi-Min Jin; Hai Feng; Li Li; Hao Su; Cheng-Xiang Tong","Hexaaquazinc(II) bis[trichloro(3,7-dihydro-1,3,7-trimethyl-1<i>H</i>-purine-2,6-dione-κ<i>N</i>^9^)zincate(II)] dihydrate","Acta Crystallographica Section E","2005","61","9","m1849","m1851","10.1107/S1600536805026309","","","0.71073","MoKα","","0.0305","0.0268","","","0.0681","0.0699","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206681","6.596","0.003","14.36","0.006","14.549","0.006","90","","90","","90","","1378.1","1","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Diethylamino-3-dimethylamino-2H-1-benzopyran-2-one","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","DN6246","Takahashi, Hajime; Takechi, Haruko; Kubo, Kanji; Matsumoto, Taisuke","7-Diethylamino-3-dimethylamino-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section E","2005","61","9","o3041","o3043","10.1107/S1600536805026607","","","0.7107","MoKα","","","0.0566","","","","0.1625","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206682","10.4187","0.0005","29.5648","0.0013","12.9299","0.0006","90","","93.395","0.001","90","","3975.8","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(1,10-phenanthroline)cobalt(II) triiodide","","- C36 H24 Co I6 N6 -","- C36 H24 Co I6 N6 -","- C144 H96 Co4 I24 N24 -","4","1","ER6015","Tershansy, Meredith A.; Goforth, Andrea M.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur","Tris(1,10-phenanthroline)cobalt(II) triiodide","Acta Crystallographica Section E","2005","61","9","m1680","m1681","10.1107/S1600536805023883","","","0.71073","MoKα","","0.0456","0.0383","","","0.0835","0.0869","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206683","10.215","0.005","11.003","0.005","16.761","0.007","90","","90","","90","","1883.9","1.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 12-bromo-13,14-dinitrodeisopropyldehydroabietate","","- C18 H21 Br N2 O6 -","- C18 H21 Br N2 O6 -","- C72 H84 Br4 N8 O24 -","4","1","ER6018","Ying-Ming Pan; Ye Zhang; Heng-Shan Wang; Bi-Hai Tong; Zhen-Feng Chen; Yong Zhang","Methyl 12-bromo-13,14-dinitrodeisopropyldehydroabietate","Acta Crystallographica Section E","2005","61","9","o3003","o3005","10.1107/S1600536805025390","","","0.7107","MoKα","","0.0343","0.0302","","","0.062","0.0637","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206684","3.9754","0.0008","9.79","0.002","17.958","0.004","90","","92.91","0.03","90","","698","0.3","105","2","105","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,3-dione","","- C18 H16 O3 -","- C18 H16 O3 -","- C36 H32 O6 -","2","1","ER6020","Arrieta, Antonio F.; Arvid Mostad.","Weak hydrogen bonds in 5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,3-dione","Acta Crystallographica Section E","2005","61","9","o3011","o3013","10.1107/S1600536805026140","","","0.71073","MoKα","","0.0292","0.0284","","","0.0766","0.0793","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206685","6.374","0.002","10.302","0.004","10.447","0.004","90","","91.428","0.014","90","","685.8","0.4","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-dimetyl-N,N'-diphenylethylenediamine","","- C16 H20 N2 -","- C16 H20 N2 -","- C32 H40 N4 -","2","0.5","ER6023","Lennartson, Anders; Kokoli, Theonitsa; Håkansson, Mikael","<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-diphenylethylenediamine","Acta Crystallographica Section E","2005","61","9","o2904","o2906","10.1107/S1600536805025298","","","0.71073","MoKα","","0.0803","0.0548","","","0.14","0.1551","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206686","25.5382","0.0008","25.5382","0.0008","8.4031","0.0004","90","","90","","90","","5480.5","0.4","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","2-(2-bromo-4-chloroanilino)-2-phenylethanol","","- C14 H13 Br Cl N O -","- C14 H13 Br Cl N O -","- C224 H208 Br16 Cl16 N16 O16 -","16","1","FL6179","Mack, Eric T.; Brown, Matthew J.; Krause, Jeanette A.; Lieberman, Deborah L.; Pinhas, Allan R.","2-(2-Bromo-4-chloroanilino)-2-phenylethanol","Acta Crystallographica Section E","2005","61","9","o2810","o2812","10.1107/S1600536805024244","","","1.54178","CuKα","","0.0241","0.0232","","","0.0607","0.0614","","","","","","1.104","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206687","4.2422","0.0011","17.827","0.006","20.685","0.007","72.63","0.03","87.15","0.02","86.23","0.03","1489","0.8","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","1H-Triazole","","- C6 H5 N3 -","- C6 H5 N3 -","- C60 H50 N30 -","10","5","FL6181","Sławomir Krawczyk; Maria Gdaniec","Polymorph β of 1<i>H</i>-benzotriazole","Acta Crystallographica Section E","2005","61","9","o2967","o2969","10.1107/S1600536805025523","","","0.71073","MoKα","","0.1114","0.0438","","","0.0841","0.1054","","","","","","0.918","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206688","9.621","0.004","7.497","0.003","11.839","0.005","90","","93.211","0.006","90","","852.6","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl N-(2-pyridyl)carbamate","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","FL6182","Zheng, Peng-Wu; Wang, Wei; Duan, Xue-Min","Ethyl N-(2-pyridyl)carbamate","Acta Crystallographica Section E","2005","61","9","o2970","o2971","10.1107/S1600536805025389","","","0.71073","MoKα","","0.0721","0.037","","","0.0907","0.1092","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206689","5.8044","0.0009","9.5929","0.0015","20.075","0.003","90","","90","","90","","1117.8","0.3","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S*,2S*)-(+)-2-Amino-1-[4-(methylsulfanyl)phenyl]-1,3-propanediol","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C40 H60 N4 O8 S4 -","4","1","GH6028","Samas, Brian; Macikenas, Dainius; Blackburn, Anthony C","(1<i>S</i>*,2<i>S</i>*)-(+)-2-Amino-1-[4-(methylsulfanyl)phenyl]propane-1,3-diol","Acta Crystallographica Section E","2005","61","9","o2793","o2794","10.1107/S1600536805024359","","","0.71073","MoKα","","0.0784","0.0556","","","0.1221","0.1327","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206690","8.1041","0.0014","8.139","0.003","9.7289","0.0008","90","","99.86","0.01","90","","632.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sodium methylenediphosphonate","poly[sodium(I)-μ~6~-methylenediphosphonato]","","- C H5 Na O6 P2 -","- C H5 Na O6 P2 -","- C4 H20 Na4 O24 P8 -","4","1","HB6235","K. Prabhakara Rao; K. Vidyasagar","Sodium methylenediphosphonate, Na(HO~3~PCH~2~PO~3~H~2~)","Acta Crystallographica Section E","2005","61","9","m1794","m1796","10.1107/S1600536805025596","","","0.71073","MoKα","","0.0282","0.0279","","","0.0779","0.0781","","","","","","1.243","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206691","11.7313","0.0005","12.546","0.0006","14.2184","0.0007","107.319","0.001","95.294","0.001","108.767","0.001","1850.2","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chloro[1-(diphenylphosphinoyl)-2-(diphenylphosphino)ethane-κP^2^] (1,10-phenanthroline-κ^2^N,N')copper(I) dichloromethane solvate","","- C39 H34 Cl3 Cu N2 O P2 -","- C39 H34 Cl3 Cu N2 O P2 -","- C78 H68 Cl6 Cu2 N4 O2 P4 -","2","1","HB6239","Qian-Yong Cao; Huan-Yu Liu; Rui-Hong Deng; Wen-Hong Wu","Chloro[1-(diphenylphosphinoyl)-2-(diphenylphosphino)ethane-κ<i>P</i>^2^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) dichloromethane solvate","Acta Crystallographica Section E","2005","61","9","m1744","m1745","10.1107/S1600536805024888","","","0.71073","MoKα","","0.0542","0.0356","","","0.097","0.1025","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206692","7.356","0.002","8.707","0.005","23.417","0.008","90","","102.8","0.03","90","","1462.6","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl [(2-hydroxyethylammonio)(2-hydroxyphenyl)methyl]phosphonate dihydrate","","- C11 H22 N O7 P -","- C11 H22 N O7 P -","- C44 H88 N4 O28 P4 -","4","1","HB6242","Zhang, Xiang-Dong; Yu, Zhan; Ma, Yong-Chao; Zhao, Zhen; Zhu, Miao-Li","Ethyl [(2-hydroxyethylaminio)(2-hydroxyphenyl)methyl]phosphonate dihydrate","Acta Crystallographica Section E","2005","61","9","o2952","o2954","10.1107/S1600536805025742","","","0.71073","MoKα","","0.0832","0.047","","","0.1033","0.1121","","","","","","1.029","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206693","9.23","0.002","6.779","0.001","19.052","0.004","90","","96.57","0.03","90","","1184.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","glycine magnesium nitrate tetrahydrate","catena-Poly[[[tetraaquamagnesium(II)]-μ-glycine-κ^2^O:O'] dinitrate]","","- C2 H13 Mg N3 O12 -","- C2 H13 Mg N3 O12 -","- C8 H52 Mg4 N12 O48 -","4","1","HB6244","Michel Fleck; Ladislav Bohatý","<i>catena</i>-Poly[[[tetraaquamagnesium(II)]-μ-glycine-κ^2^<i>O</i>:<i>O</i>'] dinitrate]","Acta Crystallographica Section E","2005","61","9","m1887","m1889","10.1107/S1600536805026875","","","0.71073","MoKα","","0.0505","0.035","","","0.0939","0.1036","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206694","9.201","0.001","6.773","0.001","18.966","0.002","90","","96.775","0.001","90","","1173.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Glycine nickel nitrate tetrahydrate","catena-Poly[[[tetraaquanickel(II)]-μ-glycine-κ^2^O:O'] dinitrate]","","- C2 H13 N3 Ni O12 -","- C2 H13 N3 Ni O12 -","- C8 H52 N12 Ni4 O48 -","4","1","HB6245","Michel Fleck; Ladislav Bohatý","<i>catena</i>-Poly[[[tetraaquanickel(II)]-μ-glycine-κ^2^<i>O</i>:<i>O</i>'] dinitrate]","Acta Crystallographica Section E","2005","61","9","m1890","m1893","10.1107/S1600536805026887","","","0.71073","MoKα","","0.049","0.0295","","","0.0733","0.0821","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206695","13.901","0.003","15.37","0.003","10.742","0.002","90","","101.61","0.03","90","","2248.2","0.8","283","2","283","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[[bis(1,10-phenanthroline)cadmium(II)]-μ-tetraoxomolybdato]","","- C24 H18 Cd Mo N4 O5 -","- C24 H18 Cd Mo N4 O5 -","- C96 H72 Cd4 Mo4 N16 O20 -","4","1","HB6246","Xiuli Bai; Ying Lu; Enbo Wang","[Cd(phen)~2~{MoO~4~}]·H~2~O, a one-dimensional coordination polymer with bridging molybdate groups","Acta Crystallographica Section E","2005","61","9","m1840","m1842","10.1107/S1600536805026073","","","0.71073","MoKα","","0.0498","0.0377","","","0.1238","0.1279","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206696","9.336","0.003","11.37","0.003","13.967","0.004","81.154","0.004","89.47","0.004","69.204","0.004","1367.9","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(benzimidazole-κN)bis(salicylato-κ^2^O,O')cadmium(II) monohydrate","","- C28 H24 Cd N4 O7 -","- C28 H24 Cd N4 O7 -","- C56 H48 Cd2 N8 O14 -","2","1","HB6247","Xiao-Du Fu; Dong-Dong Lin; Duan-Jun Xu","Bis(benzimidazole-κ<i>N</i>)bis(salicylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II) monohydrate","Acta Crystallographica Section E","2005","61","9","m1823","m1825","10.1107/S1600536805026061","","","0.71073","MoKα","","0.068","0.046","","","0.086","0.096","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206697","9.257","0.0006","18.318","0.001","7.1562","0.0004","90","","98.094","0.001","90","","1201.39","0.12","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[piperazinium(2+) [ferrate(III)-μ-hydroxo-κ^2^O:O- di-μ-sulfato-κ^4^O:O'] monohydrate]","","- C4 H15 Fe N2 O10 S2 -","- C4 H15 Fe N2 O10 S2 -","- C16 H60 Fe4 N8 O40 S8 -","4","1","HB6248","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","<i>catena</i>-Poly[piperazinium(2+) [ferrate(III)-μ-hydroxo-κ^2^<i>O</i>:<i>O</i>-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2005","61","9","m1831","m1833","10.1107/S1600536805026218","","","0.71073","MoKα","","0.045","0.039","","","0.095","0.098","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206698","9.9572","0.0018","12.819","0.002","15.061","0.003","90","","90","","90","","1922.4","0.6","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","catena-Poly[[[diaquacalcium(II)]-μ-oxydiacetato-[tetraaquamanganese(II)]- μ-oxydiacetato] dihydrate]","","- C8 H24 Ca Mn O18 -","- C8 H24 Ca Mn O18 -","- C32 H96 Ca4 Mn4 O72 -","4","0.5","HB6250","Qian Yang; Dong-Dong Lin; Duan-Jun Xu","<i>catena</i>-Poly[[[diaquacalcium(II)]-μ-oxydiacetato-[tetraaquamanganese(II)]-μ-oxydiacetato] dihydrate]","Acta Crystallographica Section E","2005","61","9","m1826","m1828","10.1107/S160053680502622X","","","0.71073","MoKα","","0.091","0.039","","","0.104","0.154","","","","","","0.869","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206699","11.836","0.006","20.032","0.007","12.089","0.012","90","","105.04","0.07","90","","2768","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetraethylammonium hexa-μ~3~-oxo-hexa-μ~2~oxo-tetradecaoxooctamolybdate","","- C32 H80 Mo8 N4 O26 -","- C32 H80 Mo8 N4 O26 -","- C64 H160 Mo16 N8 O52 -","2","0.5","HB6251","G. Kalpana; K. Vidyasagar","[(C~2~H~5~)~4~N]~4~[Mo~8~O~26~]: a redetermination and correction","Acta Crystallographica Section E","2005","61","9","m1885","m1886","10.1107/S1600536805026899","","","0.71073","MoKα","","0.0861","0.0676","","","0.1761","0.1812","","","","","","1.183","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206700","7.5649","0.0015","6.7833","0.0008","15.502","0.003","90","","101.98","0.02","90","","778.2","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Lithium hydrogen iodofumarate monohydrate","poly[[aqualithium(I)]-μ~3~-iodofumarato]","","- C4 H4 I Li O5 -","- C4 H4 I Li O5 -","- C16 H16 I4 Li4 O20 -","4","1","HB6252","Billetter, Heinrich; Pantenburg, Ingo; Ruschewitz, Uwe","Lithium hydrogen iodofumarate monohydrate","Acta Crystallographica Section E","2005","61","9","m1857","m1859","10.1107/S1600536805026589","","","0.71073","MoKα","","0.0391","0.034","","","0.0876","0.0906","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206701","11.3271","0.0014","26.9657","0.0012","8.0667","0.0006","90","","104.764","0.004","90","","2382.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethylamino proylammonium dipicrate","","- C17 H20 N8 O14 -","- C17 H20 N8 O14 -","- C68 H80 N32 O56 -","4","1","HG6209","Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Krishnan SethuSankar; Jan Fraanje; Rene Peschar; Kandasamy Sivakumar","3-(Dimethylammonio)propanaminium dipicrate","Acta Crystallographica Section E","2005","61","9","o2887","o2890","10.1107/S1600536805023652","","","1.5418","CuKα","","0.0856","0.0604","","","0.1509","0.1714","","","","","","1.045","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206702","9.4884","0.0005","8.3334","0.0004","15.1309","0.0007","90","","113.209","0.0019","90","","1099.59","0.09","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hydrochlorothiazide form II","","","- C7 H8 Cl N3 O4 S2 -","- C7 H8 Cl N3 O4 S2 -","- C28 H32 Cl4 N12 O16 S8 -","4","1","HG6211","Florence, Alastair; Johnston, Andrea; Fernandes, Philippe; Shankland, Kenneth; Stevens, Howard N. E.; Osmundsen, Sigrunn; Mullen, Alexander B.","Powder study of hydrochlorothiazide form II","Acta Crystallographica Section E","2005","61","9","o2798","o2800","10.1107/S1600536805023640","","","1.54056","CuKα~1~","","","","","","","","","","1.641","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206703","12.098","0.014","11.007","0.013","6.295","0.007","90","","97.886","0.018","90","","830.3","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chlorometronidazole","1-(2-chloroethyl)-2-methyl-5-nitro-1H-imidazole","","- C6 H8 Cl N3 O2 -","- C6 H8 Cl N3 O2 -","- C24 H32 Cl4 N12 O8 -","4","1","HG6214","Pi, Wen-Xia; Yang, Yu-Min; Li, Huan-Qiu; Zhu, Hai-Liang","Chlorometronidazole","Acta Crystallographica Section E","2005","61","9","o2880","o2881","10.1107/S1600536805025201","","","0.71073","MoKα","","0.0622","0.0445","","","0.1163","0.1282","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206704","6.192","0.003","7.74","0.003","10.001","0.004","89.073","0.006","86.903","0.006","73.097","0.006","457.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Iodometronidazole","1-(2-iodoethyl)-2-methyl-5-nitro-1H-imidazole","","- C6 H8 I N3 O2 -","- C6 H8 I N3 O2 -","- C12 H16 I2 N6 O4 -","2","1","HG6215","Yang, Yu-Min; Li, Huan-Qiu; Shi, Lei; Zhu, Hai-Liang","Iodometronidazole","Acta Crystallographica Section E","2005","61","9","o2882","o2883","10.1107/S1600536805025213","","","0.71073","MoKα","","0.0423","0.0391","","","0.0996","0.1043","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206705","20.011","0.002","8.6936","0.0008","16.3481","0.0016","90","","103.498","0.008","90","","2765.5","0.5","295","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3,4,4,5,5-Hexafluoro-1,2-bis{3-methyl-5-[3-(trifluoromethyl)phenyl}- 2-thienyl]cyclopent-1-ene","","- C29 H16 F12 S2 -","- C29 H16 F12 S2 -","- C116 H64 F48 S8 -","4","0.5","HG6218","Pu, Shou-Zhi; Liu, Gang; Yan, Liu-Shui","3,3,4,4,5,5-Hexafluoro-1,2-bis{3-methyl-5-[3-(trifluoromethyl)phenyl]-2-thienyl}cyclopent-1-ene","Acta Crystallographica Section E","2005","61","9","o2856","o2858","10.1107/S1600536805025134","","","0.71073","MoKα","","0.0895","0.0754","","","0.1383","0.1451","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206706","7.5915","0.0002","20.1407","0.0006","17.5607","0.0006","90","","90","","90","","2685","0.14","190","","190","","","","","","","","","3","C 2 2 21","C 2c 2","20","","1,2:3,4-Di-O-isopropylidene-β-D-psicofuranose","","- C12 H20 O6 -","- C12 H20 O6 -","- C96 H160 O48 -","8","1","HG6223","David J Watkin; Andreas F. G. Glawar; Raquel Soengas; Ken Izumori; Mark R. Wormald; Raymond A. Dwek; George W. J. Fleet","1,2:3,4-Di-<i>O</i>-isopropylidene-β-<small>D</small>-psicofuranose","Acta Crystallographica Section E","2005","61","9","o2949","o2951","10.1107/S1600536805025572","","","0.71073","MoKα","","0.0411","0.0411","","0.0776","0.0776","0.0776","","","","","","0.9433","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206707","13.7829","0.0011","12.5247","0.001","18.2985","0.0014","90","","90","","90","","3158.8","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N,N-dimethylbenzylamine)pentacarbonyltungsten","","- C14 H13 N O5 W -","- C14 H13 N O5 W -","- C112 H104 N8 O40 W8 -","8","1","HG6224","Mahmud, Tariq; Iqbal, Javed; Irshad, Muhammad; Elsegood, Mark R. J.; McKee, Vickie","Pentacarbonyl(<i>N</i>,<i>N</i>-dimethylbenzylamine)tungsten","Acta Crystallographica Section E","2005","61","9","m1789","m1791","10.1107/S1600536805025560","","","0.71073","MoKα","","0.0701","0.0329","","","0.06","0.0737","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206708","5.744","0.0006","5.744","","31.393","0.003","90","","90","","90","","1035.77","0.15","295","2","295","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","1,8-Dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","0.5","HG6225","Zain, Sharifuddin M.; Ng, Seik Weng","1,8-Dihydroxyanthraquinone","Acta Crystallographica Section E","2005","61","9","o2921","o2923","10.1107/S1600536805025948","","","0.71073","MoKα","","0.074","0.047","","","0.138","0.153","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206709","9.5062","0.0006","11.4587","0.0007","16.5322","0.0011","92.931","0.001","101.219","0.001","90.509","0.001","1763.78","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(1,3-benzoxazol-2-yl)phenolato](1,10-phenanthroline)zinc(II)‒2-(1,3- benzoxazol-2-yl)phenol (2/1)","","- C44.5 H28.5 N4.5 O5 Zn -","- C44.5 H28.5 N4.5 O5 Zn -","- C89 H57 N9 O10 Zn2 -","2","1","HG6226","Tong, Yi-Ping","Bis[2-(1,3-benzoxazol-2-yl)phenolato](1,10-phenanthroline)zinc(II)‒2-(1,3-benzoxazol-2-yl)phenol (2/1)","Acta Crystallographica Section E","2005","61","9","m1843","m1845","10.1107/S1600536805026243","","","0.71073","MoKα","","0.0807","0.0603","","","0.1437","0.1555","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2206710","13.145","0.003","7.2093","0.0015","8.6617","0.0017","90","","106.709","0.003","90","","786.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-cyclohexane-1,4-diyldioxalamate","","- C14 H22 N2 O6 -","- C14 H22 N2 O6 -","- C28 H44 N4 O12 -","2","0.5","HG6227","Francisco J. Martínez-Martínez; Paloma Maya-Lugardo; Efrén V. García-Báez; Herbert Höpfl; Julio Hernández-Díaz; Itzia I. Padilla-Martínez","Diethyl <i>N</i>,<i>N</i>'-cyclohexane-1,4-diyldioxalamate","Acta Crystallographica Section E","2005","61","9","o2994","o2996","10.1107/S1600536805025833","","","0.71073","MoKα","","0.0803","0.0727","","","0.1716","0.1768","","","","","","1.186","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206711","15.0959","0.0015","8.2686","0.0008","9.3397","0.0009","90","","94.812","0.002","90","","1161.7","0.2","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-4-Methylcyclohexylcarbamoylphosphonic acid","","- C8 H16 N O4 P -","- C8 H16 N O4 P -","- C32 H64 N4 O16 P4 -","4","1","HG6228","Shmuel Cohen; Yiffat Katz; Reuven Reich; Eli Breuer","<i>trans</i>-(4-Methylcyclohexylcarbamoyl)phosphonic acid: a representative matrix metalloproteinase (MMP) inhibitor","Acta Crystallographica Section E","2005","61","9","o3008","o3010","10.1107/S1600536805025936","","","0.71073","MoKα","","0.0636","0.0481","","","0.099","0.1051","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206712","26.33","0.02","5.979","0.008","8.163","0.01","90","","105.14","0.1","90","","1240","3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,2-Bis(2-aminophenoxy)ethane","1,2-Bis(2-aminophenoxy)ethane","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","0.5","HG6229","Rademeyer, Melanie; Barkhuizen, David A.; Kruger, Hendrik G.; Maguire, Glenn E. M.","1,2-Bis(2-aminophenoxy)ethane","Acta Crystallographica Section E","2005","61","9","o3014","o3016","10.1107/S1600536805026231","","","0.71073","MoKα","","0.0675","0.0608","","","0.1658","0.1769","","","","","","1.088","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206713","11.639","0.003","7.235","0.004","17.206","0.003","90","","96.399","0.018","90","","1439.9","0.9","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O5 -","- C16 H12 N2 O5 -","- C64 H48 N8 O20 -","4","1","HG6230","Moreno-Fuquen, Rodolfo; Montaño, Angela Marcela; Atencio, Reinaldo","Isoquinoline 1-oxide‒2-nitrobenzoic acid (1/1)","Acta Crystallographica Section E","2005","61","9","o3061","o3062","10.1107/S1600536805026334","","","0.71073","MoKα","","0.067","0.04","","","0.086","0.104","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206714","6.6711","0.0005","12.2317","0.0008","8.1051","0.0006","90","","107.068","0.006","90","","632.24","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-trans-Tetrachlorobis(dimethyl sulfide-κS)tin","","- C4 H12 Cl4 S2 Sn -","- C4 H12 Cl4 S2 Sn -","- C8 H24 Cl8 S4 Sn2 -","2","0.5","HG6232","Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","<i>cis</i>-<i>trans</i>-Tetrachlorobis(dimethyl sulfide-κ<i>S</i>)tin","Acta Crystallographica Section E","2005","61","9","m1852","m1853","10.1107/S1600536805026346","","","0.71073","MoKα","","0.0211","0.0182","","","0.0405","0.0415","","","","","","1.131","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206715","6.2505","0.0002","13.3718","0.0004","22.9703","0.0007","90","","90","","90","","1919.87","0.1","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-Butyl-16,17a-dioxo-17-aza-D-homoestra-1,3,5(10)-trien-3-ol","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","HG6235","Hema, R.; Parthasarathi, V.; Ranju Bansal; Linden, Anthony","(8<i>R</i>,9<i>S</i>,13<i>S</i>,14<i>S</i>)-17-Butyl-16,17a-dioxo-17-aza-<i>D</i>-homoestra-1,3,5(10)-trien-3-ol","Acta Crystallographica Section E","2005","61","9","o3095","o3097","10.1107/S1600536805027030","","","0.71073","MoKα","","0.066","0.0466","","","0.1099","0.1219","","","","","","1.085","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2206716","5.9243","0.0001","11.0968","0.0003","30.2328","0.0007","90","","90","","90","","1987.53","0.08","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-Butyl-3-methoxy-17-aza-D-homoestra-1,3,5(10)-triene-16,17a-dione","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","HG6236","Hema, R.; Parthasarathi, V.; Ranju, Bansal; Linden, Anthony","(8<i>R</i>,9<i>S</i>,13<i>S</i>,14<i>S</i>)-17-Butyl-3-methoxy-17-aza-<i>D</i>-homoestra-1,3,5(10)-triene-16,17a-dione","Acta Crystallographica Section E","2005","61","9","o3098","o3100","10.1107/S1600536805027042","","","0.71073","MoKα","","0.0617","0.043","","","0.0984","0.1095","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206717","10.1509","0.0002","20.0739","0.0003","7.995","0.0001","90","","105.889","0.0008","90","","1566.88","0.04","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pyridinium pentafluorotellurate hexafluoroditellurat","Tetrapyridinium di-μ-oxo-bis[trifluorotellurate(IV)] bis[pentafluorotellurate(IV)]","","- C10 H12 F8 N2 O Te2 -","- C10 H12 F8 N2 O Te2 -","- C40 H48 F32 N8 O4 Te8 -","4","1","HK6029","Klapötke, Thomas M.; Krumm, Burkhard; Mayer, Peter; Schwab, Ingo","Tetrapyridinium di-μ-oxo-bis[trifluorotellurate(IV)] bis[pentafluorotellurate(IV)]","Acta Crystallographica Section E","2005","61","9","o2984","o2986","10.1107/S1600536805025304","","","0.71073","MoKα","","0.0428","0.0292","","","0.0599","0.0639","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206718","6.8466","0.0003","15.668","0.0008","13.6328","0.0007","90","","90","","90","","1462.42","0.12","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diethylenetriaminium(3+) hexachlorobismuthate(III)","","- C4 H16 Bi Cl6 N3 -","- C4 H16 Bi Cl6 N3 -","- C16 H64 Bi4 Cl24 N12 -","4","1","HK6030","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","Diethylenetriaminium(3+) hexachlorobismuthate(III)","Acta Crystallographica Section E","2005","61","9","m1717","m1718","10.1107/S1600536805024438","","","0.71073","MoKα","","0.033","0.031","","","0.08","0.081","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206719","7.7443","0.0006","18.55","0.002","9.9726","0.0008","90","","92.925","0.001","90","","1430.8","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[N-methylpiperidinium(2+)] di-μ-chloro-bis[tetrachlorobismuthate(III)] dihydrate","","- C10 H32 Bi2 Cl10 N4 O2 -","- C10 H32 Bi2 Cl10 N4 O2 -","- C20 H64 Bi4 Cl20 N8 O4 -","2","0.5","HK6031","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","Bis[<i>N</i>-methylpiperidinium(2+)] di-μ-chloro-bis[tetrachlorobismuthate(III)] dihydrate","Acta Crystallographica Section E","2005","61","9","m1719","m1720","10.1107/S1600536805024451","","","0.71073","MoKα","","0.034","0.027","","","0.061","0.064","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206720","4.794","0.0007","8.4531","0.0013","13.411","0.002","97.35","0.012","94.854","0.012","101.266","0.012","525.25","0.14","296","","296","","","","","","","","","4","P -1","-P 1","2","","1-Methoxyethyl-5-nitrobenzimidazole","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C20 H22 N6 O6 -","2","1","HK6034","Mehmet Akkurt; Sema Öztürk Yıldırım; Ersin Orhan; Hasan Küçükbay; Orhan Büyükgüngör","1-Methoxyethyl-5-nitrobenzimidazole","Acta Crystallographica Section E","2005","61","9","o2804","o2805","10.1107/S1600536805024591","","","0.71073","MoKα","","0.1032","0.0487","","","0.1048","0.1236","","","","","","0.978","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206721","7.828","0.003","19.652","0.006","13.086","0.004","90","","98.854","0.005","90","","1989.1","1.1","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3-Chlorophenyl)-2-{[(1E)-(4-methylphenyl)methylene]amino}-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C23 H21 Cl N2 O S -","- C23 H21 Cl N2 O S -","- C92 H84 Cl4 N8 O4 S4 -","4","1","HK6035","Anilkumar, G. N.; Kokila, M. K.; Puttaraja; Mohan, S.; Majunath Shetty, K. S.","<i>N</i>-(3-Chlorophenyl)-2-{[(1<i>E</i>)-(4-methylphenyl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","Acta Crystallographica Section E","2005","61","9","o2841","o2843","10.1107/S1600536805024773","","","0.71073","MoKα","","0.056","0.0467","","","0.1182","0.124","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206722","24.727","0.003","10.2755","0.0013","8.2037","0.0011","90","","90","","90","","2084.4","0.5","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","N-(2-Chlorophenyl)-2-{[(1E)-(4-methoxyphenyl)methylene]amino}-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C23 H21 Cl N2 O2 S -","- C23 H21 Cl N2 O2 S -","- C92 H84 Cl4 N8 O8 S4 -","4","1","HK6036","Anilkumar, G. N.; Kokila, M. K.; Puttaraja; Mohan, S.; Manjunath Shetty, K. S.","<i>N</i>-(2-Chlorophenyl)-2-{[(1<i>E</i>)-(4-methoxyphenyl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","Acta Crystallographica Section E","2005","61","9","o3038","o3040","10.1107/S1600536805026413","","","0.71073","MoKα","","0.0851","0.066","","","0.1436","0.1521","","","","","","1.106","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206723","10.58","0.002","10.944","0.002","13.886","0.003","83.49","0.03","75.25","0.03","88.58","0.03","1544.8","0.6","293","2","","","","","","","","","","6","P -1","-P 1","2","","Carbonyl(8-hydroxyquinolinato)[tris(2,6-dimethylphenyl)phosphite]rhodium(I)","","- C34 H33 N O5 P Rh -","- C34 H33 N O5 P Rh -","- C68 H66 N2 O10 P2 Rh2 -","2","1","HK6037","Janse van Rensburg, J. Marthinus; Roodt, Andreas; Muller, Alfred; Meijboom, Reinout","Carbonyl(8-hydroxyquinolinato)[tris(2,6-dimethylphenyl)phosphite]rhodium(I)","Acta Crystallographica Section E","2005","61","9","m1741","m1743","10.1107/S1600536805024967","","","0.71073","MoKα","","","0.0456","","","","0.0965","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206724","11.2889","0.0011","13.4306","0.0013","13.4236","0.0012","90","","96.816","0.007","90","","2020.9","0.3","295","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3,4,4,5,5-Hexafluoro-1,2-bis(2-ethyl-5-formyl-3-thienyl)cyclopent-1-ene","","- C19 H14 F6 O2 S2 -","- C19 H14 F6 O2 S2 -","- C76 H56 F24 O8 S8 -","4","1","HK6038","Pu, Shou-Zhi; Yang, Tian-She; Yan, Liu-Shui","1,2-Bis(2-ethyl-5-formyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene","Acta Crystallographica Section E","2005","61","9","o2961","o2963","10.1107/S1600536805025869","","","0.71073","MoKα","","0.1109","0.069","","","0.1243","0.1413","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206725","15.7702","0.0011","7.8856","0.0004","15.8703","0.0011","90","","101.135","0.005","90","","1936.4","0.2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(1,3-Benzothiazol-2-yl)propan-2-ol","","- C10 H11 N O S -","- C10 H11 N O S -","- C80 H88 N8 O8 S8 -","8","2","HK6040","Mehmet Akkurt; Yamna Baryala; Abdelfettah Zerzouf; Moussa Salem; El-Mokhtar Essassi; Orhan Büyükgüngör","1-(1,3-Benzothiazol-2-yl)propan-2-ol","Acta Crystallographica Section E","2005","61","9","o3027","o3029","10.1107/S1600536805026437","","","0.71073","MoKα","","0.0561","0.0416","","","0.1121","0.1184","","","","","","1.045","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206726","6.7922","0.0005","8.4862","0.0008","9.1518","0.0008","99.81","0.006","101.532","0.003","92.919","0.005","507.33","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-(N,N-Dimethylammoniomethyl)-2,2-dimethyl-4-oxido-6-oxo-6H-1,3-dioxine","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C18 H30 N2 O8 -","2","1","IS6085","Jing-Hua Li; Jin-Huan He; Zhi-Min Jin","5-(<i>N</i>,<i>N</i>-Dimethylammoniomethyl)-2,2-dimethyl-4-oxido-6-oxo-6<i>H</i>-1,3-dioxine","Acta Crystallographica Section E","2005","61","9","o3106","o3107","10.1107/S1600536805026826","","","0.71073","MoKα","","0.0442","0.0388","","","0.0976","0.102","","","","","","1.075","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206727","9.865","0.002","9.429","0.001","13.506","0.002","90","","101.74","0.01","90","","1230","0.3","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(piperazinium) di-μ-chloro-bis[diaquadichloromanganese(II)] dichloride","","- C8 H32 Cl8 Mn2 N4 O4 -","- C8 H32 Cl8 Mn2 N4 O4 -","- C16 H64 Cl16 Mn4 N8 O8 -","2","0.5","IS6108","Zhi-Min Jin; Li Li; Nan Sun; Mao-Lin Hu; Liang Shen","Bis(piperazinium) di-μ-chloro-bis[diaquadichloromanganate(II)] dichloride","Acta Crystallographica Section E","2005","61","9","m1711","m1713","10.1107/S1600536805024530","","","0.71073","MoKα","","0.0279","0.0225","","","0.0556","0.0567","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206728","9.6272","0.0009","15.0692","0.0014","21.286","0.0019","90","","90","","90","","3088","0.5","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ethyl 2,5-diphenylfuran-3-carboxylate","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","IS6110","Meng, Xiang-Gao; Wu, An-Xin","Ethyl 2,5-diphenylfuran-3-carboxylate","Acta Crystallographica Section E","2005","61","9","o2808","o2809","10.1107/S1600536805024554","","","0.71073","MoKα","","0.0586","0.0428","","","0.1079","0.1186","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206729","5.2998","0.0004","19.4005","0.0018","12.7277","0.0009","90","","100.96","0.008","90","","1284.78","0.18","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-Bis(2-thienyloxy)-3-oxapentane","","- C12 H14 O3 S2 -","- C12 H14 O3 S2 -","- C48 H56 O12 S8 -","4","1","IS6111","Gaël Labat; Joan Halfpenny","1,5-Bis(3-thienyloxy)-3-oxapentane: a thiophene-based precursor for thiophene-based azacryptand Mannich bases","Acta Crystallographica, Section E","2005","61","9","o2813","o22814","10.1107/S1600536805024517","","","0.71073","MoKα","","0.0641","0.0331","","","0.0664","0.0721","","","","","","0.851","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206730","22.175","0.003","5.3918","0.0004","9.0831","0.0011","90","","111.362","0.009","90","","1011.4","0.2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-Bis(3-thienyloxy)ethane","","- C10 H10 O2 S2 -","- C10 H10 O2 S2 -","- C40 H40 O8 S8 -","4","0.5","IS6112","Gaël Labat; Joan Halfpenny","1,2-Bis(3-thienyloxy)ethane: a thiophene-based precursor for thiophene-based azacryptand Mannich bases","Acta Crystallographica Section E","2005","61","9","o2815","o2816","10.1107/S1600536805024529","","","0.71073","MoKα","","0.0334","0.0312","","","0.0882","0.0895","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206731","8.8819","0.0007","5.2497","0.0003","24.216","0.002","90","","106.165","0.007","90","","1084.49","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{1-[(4-methoxyphenyl)amino]-2-methylglyoximato-κ^2^N,N'}nickel(II)","","- C20 H24 N6 Ni O6 -","- C20 H24 N6 Ni O6 -","- C40 H48 N12 Ni2 O12 -","2","0.5","JH6013","Hümeyra Batı; Cemile Daĝ; Mustafa Serkan Soylu; Murat Tas̨; Nezihe Çalıs̨kan; Orhan Büyükgüngör","Bis{1-[(4-methoxyphenyl)amino]-2-methylglyoximato-κ^2^<i>N</i>,<i>N</i>'}nickel(II)","Acta Crystallographica Section E","2005","61","9","m1866","m1868","10.1107/S1600536805026450","","","0.71073","MoKα","","0.045","0.0327","","","0.0845","0.0884","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206732","27.561","0.002","13.3497","0.001","16.3934","0.0008","90","","113.349","0.003","90","","5537.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Acetato-bis(morpholine-N)[N-salicylaldehyde-N'- (O-nitrophenoxyacyl)hydrazonato-O,N,O']cobalt(III)","","- C25 H32 Co N5 O9 -","- C25 H32 Co N5 O9 -","- C200 H256 Co8 N40 O72 -","8","1","KP6055","Sun, Ming-Mei; Li, Wei-Peng; Liu, Shi-Xiong","(Acetato-κ<i>O</i>)bis(morpholine-κ<i>N</i>)[salicylaldehyde (2-nitrophenoxyacetyl)hydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']cobalt(III)","Acta Crystallographica Section E","2005","61","9","m1818","m1820","10.1107/S1600536805026000","","","0.71073","MoKα","","0.0589","0.0385","","","0.095","0.1021","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206733","6.5952","0.0009","13.7481","0.0019","10.5778","0.0015","90","","94.051","0.003","90","","956.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3-trihydroxybenzene:pyrimidine","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C40 H40 N8 O12 -","4","1","KP6057","Liliana Dobrzańska","1,2,3-Trihydroxybenzene‒pyrimidine (1/1)","Acta Crystallographica Section E","2005","61","9","o2981","o2983","10.1107/S1600536805026012","","","0.71073","MoKα","","0.0817","0.0523","","","0.1467","0.1633","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206734","8.3391","0.0007","11.1748","0.0015","13.8056","0.0019","90","","90","","90","","1286.5","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-3-hydroxy-6-[(2-methoxyphenylamino)methylene]cyclohexa-2,4-dienone","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","KP6061","S̨ahin, Onur; Albayrak, Çiǧdem; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","(Z)-3-Hydroxy-6-[(2-methoxyphenylamino)methylene]cyclohexa-2,4-dienone","Acta Crystallographica Section E","2005","61","9","o2859","o2861","10.1107/S1600536805024189","","","0.71073","MoKα","","0.0987","0.0593","","","0.1707","0.1919","","","","","","0.973","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206735","7.602","0.002","8.7563","0.001","11.642","0.003","85.252","0.016","84.838","0.012","78.469","0.014","754.6","0.3","297","2","293","2","","","","","","","","3","P -1","-P 1","2","flavone","5-hydroxy-7,8,2'-trimethoxyflavone","","- C18 H16 O6 -","- C18 H16 O6 -","- C36 H32 O12 -","2","1","LH6457","Krishnaiah, M.; Ravi Kumar, R.; Jagadeesh Kumar, N.; Gunasekar, D.; Jayaprakasam, B.","5-Hydroxy-7,8,2'-trimethoxyflavone","Acta Crystallographica Section E","2005","61","9","o2862","o2864","10.1107/S1600536805024827","","","0.71073","MoKα","","0.0371","0.0315","","","0.0883","0.0941","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206736","8.6596","0.0017","22.247","0.004","15.891","0.003","90","","105.314","0.003","90","","2952.7","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S*,16S*,20R*,22R*,24S*)-3,22,25-Trihydroxy-16,24:20,24-diepoxycholest- 5-en-3-yl acetate methanol solvate","","- C30 H48 O7 -","- C30 H48 O7 -","- C120 H192 O28 -","4","2","LH6462","Zhang, Wen; Yao, Guang-Min; Guo, Yue-Wei","(3<i>S</i>*,16<i>S</i>*,20<i>R</i>*,22<i>R</i>*,24<i>S</i>*)-3,22,25-Trihydroxy-16,24:20,24-diepoxycholest-5-en-3-yl acetate methanol solvate","Acta Crystallographica Section E","2005","61","9","o2884","o2886","10.1107/S160053680502489X","","","0.71073","MoKα","","0.1868","0.0712","","","0.1432","0.1732","","","","","","0.769","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206737","11.7991","0.0006","9.355","0.0005","14.2138","0.0008","90","","96.764","0.005","90","","1558.01","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(O,O'-dicyclohexyl phosphorodithioato)nickel(II)","","- C24 H44 Ni O4 P2 S4 -","- C24 H44 Ni O4 P2 S4 -","- C48 H88 Ni2 O8 P4 S8 -","2","0.5","LH6464","Murat Taş; Mehtap Yaĝan; Hümeyra Batı; Beki̇r Batı; Orhan Büyükgüngör","Redetermination of bis(<i>O</i>,<i>O</i>'-dicyclohexyl phosphorodithioato)nickel(II)","Acta Crystallographica Section E","2005","61","9","m1684","m1685","10.1107/S1600536805023895","","","0.71073","MoKα","","0.0486","0.0324","","","0.0784","0.0837","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206738","5.3572","0.0008","21.89","0.003","9.2502","0.0014","90","","100.082","0.003","90","","1068","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N'-benzoyl-4H-1,2,4-triazole-3-carbohydrazide","N'-benzoyl-4H-1,2,4-triazole-3-carbohydrazide","","- C10 H9 N5 O2 -","- C10 H9 N5 O2 -","- C40 H36 N20 O8 -","4","1","LH6474","Chang-Hua Ge; Ding-Ben Chen; Fu-You Pan; Ling Huang; Jian-Guo Yang","<i>N</i>'-Benzoyl-4<i>H</i>-1,2,4-triazole-3-carbohydrazide","Acta Crystallographica Section E","2005","61","9","o3081","o3082","10.1107/S1600536805025055","","","0.71073","MoKα","","0.065","0.0546","","","0.136","0.143","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206739","10.817","0.0009","9.3912","0.0006","25.3745","0.0018","90","","95.576","0.006","90","","2565.5","0.3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Acetyl-4-(2-chorophenyldiazenyl)phenol","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C112 H88 Cl8 N16 O16 -","8","1","LH6475","Deveci, Özlem; Işık, Şamil; Albayrak, Çiǧdem; Ağar, Erbil","2-Acetyl-4-(2-chorophenyldiazenyl)phenol","Acta Crystallographica Section E","2005","61","9","o2878","o2879","10.1107/S1600536805025110","","","0.71073","MoKα","","0.0705","0.0384","","","0.1023","0.1109","","","","","","0.918","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206740","14.3933","0.0002","17.5714","0.0003","17.527","0.0003","90","","110.262","0.001","90","","4158.45","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Chloro[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2- yl]bis(tricyclohexylphosphine)platinum(II)‒trans- chloro[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2- yl]bis(tricyclohexylphosphine)platinum(II) (1/1)","","- C40 H67 Cl F6 P2 Pt -","- C40 H67 Cl F6 P2 Pt -","- C160 H268 Cl4 F24 P8 Pt4 -","4","1","LH6477","Howie, R. Alan; Wardell, James L.","<i>trans</i>-Chloro[(<i>E</i>)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]bis(tricyclohexylphosphine)platinum(II)‒<i>trans</i>-chloro[(<i>Z</i>)-1,1,1,4,4,4-hexafluorobut-2-en-2yl]bis(tricyclohexylphosphine)platinum(II) (1/1) at 120 K","Acta Crystallographica Section E","2005","61","9","m1701","m1704","10.1107/S1600536805024220","","","0.71073","MoKα","","0.0477","0.0313","","","0.068","0.0735","","","","","","1.043","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206741","8.2167","0.0002","13.6406","0.0003","8.7203","0.0002","90","","107.231","0.0009","90","","933.51","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Acetamido-4-nitrotoluene","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","LH6479","Watkin, David J.; Motherwell, W. D. S.; Cooper, Richard I.; Pantos, Stefan; Steadman, Oliver I.","2-Acetamido-4-nitrotoluene","Acta Crystallographica Section E","2005","61","9","o2778","o2780","10.1107/S1600536805024049","","","0.71073","MoKα","","0.0469","0.0469","","0.0977","0.0977","0.0977","","","","","","0.9965","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206742","7.4211","0.0003","9.2176","0.0003","9.7823","0.0003","98.614","0.003","104.249","0.002","102.684","0.003","617.87","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Methylphenylsulfonyl)-1H-1,2,3-benzotriazole","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C26 H22 N6 O4 S2 -","2","1","LH6480","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","1-(4-Methylphenylsulfonyl)-1<i>H</i>-1,2,3-benzotriazole: sheets built from C—H···N, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section E","2005","61","9","o2795","o2797","10.1107/S1600536805024219","","","0.71073","MoKα","","0.047","0.0371","","","0.0912","0.0976","","","","","","1.052","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206743","11.0997","0.0005","6.9493","0.0003","12.3296","0.0005","90","","92.084","0.002","90","","950.42","0.07","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodo-2,6-dinitrotoluene","","- C7 H5 I N2 O4 -","- C7 H5 I N2 O4 -","- C28 H20 I4 N8 O16 -","4","1","LH6482","Watkin, David J.; Motherwell, W. D. S.; Cooper, Richard I.; Pantos, Stefan; Steadman, Oliver I.","3-Iodo-2,6-dinitrotoluene","Acta Crystallographica Section E","2005","61","9","o2836","o2838","10.1107/S1600536805024864","","","0.71073","MoKα","","0.051","0.051","","0.0668","0.0668","0.0668","","","","","","0.8874","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206744","5.9504","0.0002","14.5676","0.0004","22.0403","0.0008","90","","90","","90","","1910.52","0.11","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4-Anhydro-2-C-benzyloxymethyl-2,3:5,6-di-O-isopropylidene-D-tallitol","","- C20 H28 O6 -","- C20 H28 O6 -","- C80 H112 O24 -","4","1","LH6483","Watkin, David J.; Parry, Loren L.; Soengas, Raquel; Fleet, George W. J.","1,4-Anhydro-2-<i>C</i>-benzyloxymethyl-2,3:5,6-di-<i>O</i>-isopropylidene-<small>D</small>-tallitol","Acta Crystallographica Section E","2005","61","9","o2865","o2867","10.1107/S1600536805025031","","","0.71073","MoKα","","0.0473","0.0473","","0.0747","0.0747","0.0747","","","","","","0.9912","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206745","8.4723","0.0011","13.7762","0.0018","14.8752","0.0019","90","","103.15","0.002","90","","1690.6","0.4","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Benzimidazol-3-ium-2-ylmethyl)(benzimidazol-2-ylmethyl)aminium sulfate","","- C16 H17 N5 O4 S -","- C16 H17 N5 O4 S -","- C64 H68 N20 O16 S4 -","4","1","LH6484","Meng, Xiang-Gao; Mei, Fu-Sheng; Liao, Zhan-Ru","(Benzimidazol-3-ium-2-ylmethyl)(benzimidazol-2-ylmethyl)aminium sulfate","Acta Crystallographica Section E","2005","61","9","o3047","o3049","10.1107/S1600536805025109","","","0.71073","MoKα","","0.0778","0.0601","","","0.1593","0.1705","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206746","5.8241","0.0001","8.4972","0.0002","27.1899","0.0007","90","","90","","90","","1345.59","0.05","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2:3,4-Di-O-isopropylidene-α-D-tagatofuranose","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","LH6485","David J. Watkin; Andreas F. G. Glawar; Raquel Soengas; Ulla P. Skytte; Mark R. Wormald; Raymond A. Dwek; George W. J. Fleet","1,2:3,4-Di-<i>O</i>-isopropylidene-α-<small>D</small>-tagatofuranose","Acta Crystallographica Section E","2005","61","9","o2891","o2893","10.1107/S1600536805025092","","","0.71073","MoKα","","0.0416","0.0358","","0.087","0.0837","0.087","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206747","10.3222","0.0009","11.5993","0.001","16.0222","0.0014","90","","101.197","0.002","90","","1881.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[[trans-bis(3-aminopyridine)copper(II)]-μ~3~-5-hydroxy-1,3- benzenedicarboxylato] monohydrate]","","- C18 H18 Cu N4 O6 -","- C18 H18 Cu N4 O6 -","- C72 H72 Cu4 N16 O24 -","4","1","LH6487","Wu, Jian-Yi; Feng, De-Ming; He, Hong-Yin; Wang, Qing-Xiang; Zhu, Long-Guan","Poly[[[<i>trans</i>-bis(3-aminopyridine)copper(II)]-μ~3~-5-hydroxy-1,3-benzenedicarboxylato] monohydrate]","Acta Crystallographica Section E","2005","61","9","m1779","m1781","10.1107/S1600536805025535","","","0.71073","MoKα","","0.0564","0.0439","","","0.1221","0.1284","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206748","19.095","0.012","19.095","0.012","19.095","0.012","90","","90","","90","","6962","8","123","2","123","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Thallium perfluorotetraphenylborate","","- C24 B F20 Tl -","- C24 B F20 Tl -","- C288 B12 F240 Tl12 -","12","0.25","LH6488","Parvez, Masood; Piers, Warren E.; Ghesner, Ioan","Thallium tetrakis(pentafluorophenyl)borate","Acta Crystallographica Section E","2005","61","9","m1801","m1803","10.1107/S1600536805025808","","","0.71073","MoKα","","0.065","0.04","","","0.077","0.087","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206749","10.3839","0.0002","10.4574","0.0002","19.031","0.0005","90","","103.806","0.0009","90","","2006.84","0.08","190","","190","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-C-Benzyloxymethyl-2,3:5,6-di-O-isopropylidene-D-allono-1,4-lactone","","- C20 H26 O7 -","- C20 H26 O7 -","- C80 H104 O28 -","4","2","LH6489","David J. Watkin; Loren L. Parry; Raquel Soengas; Ken Izumori; George W. J. Fleet","2-<i>C</i>-Benzyloxymethyl-2,3:5,6-di-<i>O</i>-isopropylidene-<small>D</small>-allono-1,4-lactone","Acta Crystallographica Section E","2005","61","9","o2955","o2957","10.1107/S1600536805025791","","","0.71073","MoKα","","0.0492","0.0492","","0.0966","0.0966","0.0966","","","","","","0.9528","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206750","10.484","0.015","10.468","0.015","15.39","0.016","90","","99.69","0.1","90","","1665","4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Rubidium gallium disulfide","Rubidium thiogallate","","- Ga Rb S2 -","- Ga Rb S2 -","- Ga16 Rb16 S32 -","16","2","MG6043","Asmita Kumari; K. Vidyasagar","Rubidium thiogallate","Acta Crystallographica Section E","2005","61","9","i193","i195","10.1107/S1600536805024815","","","0.71073","MoKα","","0.0867","0.0531","","","0.1798","0.1861","","","","","","1.193","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206751","4.3424","0.0015","4.3424","0.0015","10.221","0.007","90","","90","","90","","192.73","0.16","120","2","120","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","Cerium copper diantimonide","Cerium copper diantimonide","","- Ce Cu0.93 Sb2 -","- Ce Cu0.93 Sb2 -","- Ce2 Cu1.86 Sb4 -","2","0.125","MG6044","Tobash, Paul H.; Bobev, Svilen","Cerium copper diantimonide, CeCu~0.93(1)~Sb~2~","Acta Crystallographica Section E","2005","61","9","i191","i192","10.1107/S1600536805024505","","","0.71073","MoKα","","0.0537","0.0447","","","0.1079","0.1195","","","","","","1.138","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206752","10.937","0.002","7.0519","0.0012","9.2671","0.0019","90","","90","","90","","714.7","0.2","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","indium(I) tetrachloroaluminate","indium(I) tetrachloroaluminate","","- Al Cl4 In -","- Al Cl4 In -","- Al4 Cl16 In4 -","4","0.5","MG6045","Timofte, Tudor; Mudring, Anja-Verena","Indium(I) tetrachloroaluminate","Acta Crystallographica Section E","2005","61","9","i199","i200","10.1107/S1600536805025067","","","0.71073","MoKα","","0.0966","0.0508","","","0.1543","0.1738","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206753","6.379","0.005","18.239","0.005","10.101","0.005","90","","107.331","0.005","90","","1121.9","1.1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2-Dimethyl-5-[(1,2,4-triazin-3-ylamino)methylene]-1,3-dioxane-4,6-dione","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C40 H40 N16 O16 -","4","1","NC6037","Joussef, Antonio C.; Silva, Luiz Everson da; Bortoluzzi, Adailton J.; Foro, Sabine","2,2-Dimethyl-5-[(1,2,4-triazin-3-ylamino)methylene]-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2005","61","9","o2873","o2874","10.1107/S1600536805024918","","","0.71069","MoKα","","0.1175","0.0553","","","0.1343","0.1612","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206754","9.863","0.002","10.081","0.002","10.731","0.003","98.839","0.006","95.787","0.005","114.928","0.007","939.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[2-(4-nitrophenoxyl)-2-(1H-1,2,4-triazol-1-yl)acetyl]ferrocene","","- C20 H16 Fe N4 O4 -","- C20 H16 Fe N4 O4 -","- C40 H32 Fe2 N8 O8 -","2","1","NC6041","Shao, Ling; Hu, Yan; Tao, Wei-Feng; Jin, Zhong; Fang, Jian-Xin","[2-(4-Nitrophenoxyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)acetyl]ferrocene","Acta Crystallographica Section E","2005","61","9","m1837","m1839","10.1107/S1600536805026152","","","0.71073","MoKα","","0.0532","0.0363","","","0.0814","0.088","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206755","7.6816","0.0008","11.8247","0.0015","12.0196","0.0014","90","","90","","90","","1091.8","0.2","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[mppyr][I]","N-methyl-N-propyl-pyrrolidinium iodide","","- C8 H18 I N -","- C8 H18 I N -","- C32 H72 I4 N4 -","4","1","NC6042","Babai, Arash; Mudring, Anja-Verena","<i>N</i>-Methyl-<i>N</i>-propylpyrrolidinium iodide","Acta Crystallographica Section E","2005","61","9","o2913","o2915","10.1107/S1600536805025481","","","0.71073","MoKα","","0.0286","0.0272","","","0.0691","0.0731","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2206756","18.5888","0.0012","9.5697","0.0005","18.3776","0.0013","90","","107.883","0.005","90","","3111.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyltriphenylsilane","","- C19 H18 Si -","- C19 H18 Si -","- C152 H144 Si8 -","8","2","NC6044","Kückmann, Theresa; Lerner, Hans-Wolfram; Bolte, Michael","Methyltriphenylsilane","Acta Crystallographica Section E","2005","61","9","o3030","o3031","10.1107/S1600536805026310","","","0.71073","MoKα","","0.0456","0.0356","","","0.088","0.0913","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206757","9.8964","0.0001","10.3253","0.0001","26.0261","0.0004","90","","98.971","0.001","90","","2626.9","0.06","100","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","mer-Tris(benzotriazole-κN)(pyridine-2,6-dicarboxylato-κ^3^N,O,O')nickel(II)","","- C25 H18 N10 Ni O4 -","- C25 H18 N10 Ni O4 -","- C100 H72 N40 Ni4 O16 -","4","1","NG6152","Ramadevi, Palani; Kumaresan, Sudalaiandi; Muir, Kenneth W.","<i>mer</i>-Tris(1<i>H</i>-benzotriazole-κ<i>N</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section E","2005","61","9","m1749","m1751","10.1107/S1600536805024700","","","0.71073","MoKα","","","0.0363","","","","0.0935","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2206758","11.2159","0.0012","11.7722","0.0012","13.2758","0.0013","90","","93.454","0.004","90","","1749.7","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Phyllo-poly[[silver(I)-di-μ~2~-4-aminomethylpyridine-κ^2^N:N'] hexafluorophosphate]","","- C12 H16 Ag F6 N4 P -","- C12 H16 Ag F6 N4 P -","- C48 H64 Ag4 F24 N16 P4 -","4","1","NG6169","Feazell, Rodney P.; Carson, Cody E.; Klausmeyer, Kevin K.","Phyllo-poly[[silver(I)-di-μ~2~-4-aminomethylpyridine-κ^2^<i>N</i>:<i>N</i>'] hexafluorophosphate]: a two-dimensional coordination polymer formed by the reaction of silver(I) hexafluorophosphate with 4-aminomethylpyridine","Acta Crystallographica Section E","2005","61","9","m1694","m1696","10.1107/S1600536805024256","","","0.71073","MoKα","","0.0236","0.0205","","","0.0499","0.0513","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206759","10.6042","0.0003","20.1157","0.0008","25.9795","0.0008","90","","90","","90","","5541.7","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris(1H-benzimidazole-κN^3^)(thiodiacetato-κ^3^O,S,O')cadmium(II) dihydrate","","- C25 H26 Cd N6 O6 S -","- C25 H26 Cd N6 O6 S -","- C200 H208 Cd8 N48 O48 S8 -","8","1","NG6172","Tian-Tian Pan; Duan-Jun Xu","Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cadmium(II) dihydrate","Acta Crystallographica Section E","2005","61","9","m1735","m1737","10.1107/S1600536805024086","","","0.71069","MoKα","","0.086","0.067","","","0.151","0.167","","","","","","1.326","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206760","10.67","0.005","12.553","0.005","13.505","0.005","115.242","0.012","93.281","0.017","110.841","0.017","1481.6","1.1","295","3","295","3","","","","","","","","6","P -1","-P 1","2","","cis-Aquachlorobis(1,10-phenanthroline)nickel(II) chloride 4-hydroxybenzoic acid dihydrate","","- C31 H28 Cl2 N4 Ni O6 -","- C31 H28 Cl2 N4 Ni O6 -","- C62 H56 Cl4 N8 Ni2 O12 -","2","1","NG6173","Jian-Rong Su; Duan-Jun Xu","<i>cis</i>-Aquachlorobis(1,10-phenanthroline)nickel(II) chloride 4-hydroxybenzoic acid dihydrate","Acta Crystallographica Section E","2005","61","9","m1738","m1740","10.1107/S1600536805024098","","","0.71073","MoKα","","0.055","0.041","","","0.125","0.145","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206761","6.9619","0.0008","9.3723","0.0011","9.9791","0.0011","74.9","0.002","89.418","0.002","78.241","0.002","614.82","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[4,4'-bipyridinium [[diaquadisulfatomanganate(II)]-μ-4,4'- bipyridine-κ^2^N:N'] dihydrate]","","- C20 H26 Mn N4 O12 S2 -","- C20 H26 Mn N4 O12 S2 -","- C20 H26 Mn N4 O12 S2 -","1","0.5","NG6174","Fan, Sai-Rong; Zhu, Long-Guan","<i>catena</i>-Poly[4,4'-bipyridinium [[diaquadisulfatomanganate(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","Acta Crystallographica Section E","2005","61","9","m1689","m1691","10.1107/S1600536805024268","","","0.71073","MoKα","","0.0384","0.0375","","","0.0913","0.092","","","","","","1.165","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206762","22.27","0.002","10.4487","0.0012","7.7771","0.0009","90","","107.249","0.012","90","","1728.3","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","diaquabis(vanillinato-κ^2^O,O')cobalt(II)","","- C16 H18 Co O8 -","- C16 H18 Co O8 -","- C64 H72 Co4 O32 -","4","0.5","NG6181","Dong-Dong Lin; Duan-Jun Xu","Redetermination of diaquabis(vanillinato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)","Acta Crystallographica Section E","2005","61","9","m1821","m1822","10.1107/S1600536805026085","","","0.71073","MoKα","","0.036","0.032","","","0.082","0.084","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206763","14.981","0.002","7.6973","0.0012","17.468","0.003","90","","90.001","0.001","90","","2014.3","0.5","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-Dianilino-3-(4-chlorophenyl)-3,6-dihydro-1,2,3-triazolo[4,5-d]pyrimidin- 7-one","","- C22 H16 Cl N7 O -","- C22 H16 Cl N7 O -","- C88 H64 Cl4 N28 O4 -","4","1","OB6548","Zhao, Jun-Feng; Hu, Yang-Gen; Ding, Ming-Wu; He, Hong-Wu","5,6-Dianilino-3-(4-chlorophenyl)-3,6-dihydro-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7-one","Acta Crystallographica Section E","2005","61","9","o2791","o2792","10.1107/S1600536805024074","","","0.71073","MoKα","","0.0858","0.0497","","","0.1112","0.125","","","","","","0.901","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206764","15.579","0.003","6.0883","0.0012","21.725","0.004","90","","104.76","0.03","90","","1992.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aquadipyridinezinc(II)]-μ-benzene-1,4-dioxyacetato]","","- C20 H20 N2 O7 Zn -","- C20 H20 N2 O7 Zn -","- C80 H80 N8 O28 Zn4 -","4","0.5","OB6552","Hong, Xian-Lan; Li, Yi-Zhi; Bai, Jun-Feng","<i>catena</i>-Poly[[aquadipyridinezinc(II)]-μ-benzene-1,4-dioxyacetato]","Acta Crystallographica Section E","2005","61","9","m1863","m1865","10.1107/S1600536805023676","","","0.71073","MoKα","","0.0658","0.0421","","","0.0823","0.0886","","","","","","0.876","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206765","6.812","0.003","12.082","0.005","22.802","0.003","90","","90","","90","","1876.7","1.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17a-Methyl-4-androstene-3b,17b-diol monohydrate","","- C20 H34 O3 -","- C20 H34 O3 -","- C80 H136 O12 -","4","1","OB6554","Chun-Nian Xia; Wei-Xiao Hu; Wei Zhou","17a-Methyl-4-androstene-3b,17b-diol monohydrate","Acta Crystallographica Section E","2005","61","9","o2896","o2898","10.1107/S1600536805025316","","","0.71073","MoKα","","0.0573","0.0329","","","0.0854","0.0962","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206766","11.725","0.002","20.396","0.003","11.04","0.002","90","","90","","90","","2640.1","0.8","295","","295.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-O-benzyl-3,4-O-dibenzoyl-1-thio-β-L-fucopyranoside","","- C28 H28 O6 S -","- C28 H28 O6 S -","- C112 H112 O24 S4 -","4","1","OB6555","Laurent F. Bornaghi; Nicholas B. Drinnan; Tracie Ramsdale; Peter C. Healy; Alan R. White","Methyl 3,4-<i>O</i>-dibenzoyl-2-<i>O</i>-benzyl-1-thio-β-<small>L</small>-fucopyranoside","Acta Crystallographica Section E","2005","61","9","o2899","o2901","10.1107/S160053680502516X","","","0.7107","MoKα","","0.0932","0.0465","","","0.1209","0.1418","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206767","11.589","0.001","14.27","0.001","15.463","0.001","90","","92.259","0.001","90","","2555.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(dimethylammonium) mer-tris(salicylato-κ^2^O,O')titanate(IV)","","- C25 H28 N2 O9 Ti -","- C25 H28 N2 O9 Ti -","- C100 H112 N8 O36 Ti4 -","4","1","OB6556","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","Bis(dimethylammonium) <i>mer</i>-tris(salicylato-κ^2^<i>O</i>,<i>O</i>')titanate(IV)","Acta Crystallographica Section E","2005","61","9","m1730","m1732","10.1107/S160053680502475X","","","0.71073","MoKα","","0.073","0.055","","","0.152","0.186","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206768","9.021","0.001","11.072","0.001","15.067","0.002","75.545","0.002","84.83","0.002","87.146","0.003","1450.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Piperazinium(2+) fac-tris(salicylato-κ^2^O,O')titanate(IV) monohydrate dimethylformamide solvate","","- C28 H33 N3 O11 Ti -","- C28 H33 N3 O11 Ti -","- C56 H66 N6 O22 Ti2 -","2","1","OB6557","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","Piperazinium(2+) <i>fac</i>-tris(salicylato-κ^2^<i>O</i>,<i>O</i>')titanate(IV) monohydrate dimethylformamide solvate","Acta Crystallographica Section E","2005","61","9","m1733","m1734","10.1107/S1600536805024761","","","0.71073","MoKα","","0.128","0.076","","","0.185","0.234","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206770","16.876","0.002","8.2937","0.0009","13.6237","0.0016","90","","90","","90","","1906.8","0.4","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(1,3-Diaminopropane-κ^2^N,N')[tris(2-aminoethyl)amine- κ^4^N,N',N'',N''']nickel(II) bis(perchlorate)","","- C9 H28 Cl2 N6 Ni O8 -","- C9 H28 Cl2 N6 Ni O8 -","- C36 H112 Cl8 N24 Ni4 O32 -","4","1","OB6559","Yung-Chan Lin; Tian-Huey Lu; Chang-Yao Li; Fen-Ling Liao; Chung-Sun Chung","(1,3-Diaminopropane-κ^2^<i>N</i>,<i>N</i>')[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) bis(perchlorate)","Acta Crystallographica Section E","2005","61","9","m1757","m1759","10.1107/S1600536805025225","","","0.71073","MoKα","","0.0267","0.0251","","","0.0616","0.0624","","","","","","0.953","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206771","9.779","0.004","20.122","0.008","15.667","0.006","90","","100.011","0.005","90","","3036","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[hydrotris(1-pyrazolyl)borato-κ^3^N,N',N'']iron(III) tetrachloroferrate(III) acetonitrile solvate","","- C20 H23 B2 Cl4 Fe2 N13 -","- C20 H23 B2 Cl4 Fe2 N13 -","- C80 H92 B8 Cl16 Fe8 N52 -","4","1","OB6561","Hong, Chao-Gang; Zhou, Ai-Ju; Tong, Ming-Liang","Bis[hydrotris(1-pyrazolyl)borato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']iron(III) tetrachloroferrate(III) acetonitrile solvate","Acta Crystallographica Section E","2005","61","9","m1774","m1776","10.1107/S1600536805025456","","","0.71073","MoKα","","0.0591","0.0468","","","0.1171","0.1272","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206772","8.236","0.005","9.003","0.006","10.781","0.007","82.203","0.01","85.384","0.011","74.53","0.01","762.5","0.8","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Chlorophenyl)-2,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one","","- C17 H18 Cl N O -","- C17 H18 Cl N O -","- C34 H36 Cl2 N2 O2 -","2","1","OB6566","Chopra, Deepak; Nagarajan, K.; Guru Row, T. N.","1-(4-Chlorophenyl)-2,6,6-trimethyl-1,5,6,7-tetrahydro-4<i>H</i>-indol-4-one","Acta Crystallographica Section E","2005","61","9","o3089","o3091","10.1107/S1600536805026905","","","0.71073","MoKα","","0.0471","0.0415","","","0.1124","0.118","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206773","9.7761","0.0014","13.0082","0.0019","15.832","0.002","75.9","0.003","87.872","0.003","81.639","0.003","1931.9","0.5","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Chlorobenzyl)-6,6-dimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one","","- C23 H22 Cl N O -","- C23 H22 Cl N O -","- C92 H88 Cl4 N4 O4 -","4","2","OB6567","Chopra, Deepak; Nagarajan, K.; Guru Row, T. N.","1-(4-Chlorobenzyl)-6,6-dimethyl-2-phenyl-1,5,6,7-tetrahydro-4<i>H</i>-indol-4-one","Acta Crystallographica Section E","2005","61","9","o3092","o3094","10.1107/S1600536805026929","","","0.71073","MoKα","","0.1733","0.0878","","","0.1621","0.1996","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206774","8.487","0.004","11.23","0.003","19.662","0.008","90","","100.19","0.03","90","","1844.4","1.3","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua(4'-hydroxy-2,2',6',6''-terpyridyl)copper(II) perchlorate","","- C15 H13 Cl2 Cu N3 O10 -","- C15 H13 Cl2 Cu N3 O10 -","- C60 H52 Cl8 Cu4 N12 O40 -","4","1","OB6569","Jeitler, James R.; Turnbull, Mark M.","Aqua(4'-hydroxy-2,2';6',6''-terpyridyl)copper(II) bis(perchlorate)","Acta Crystallographica Section E","2005","61","9","m1846","m1848","10.1107/S1600536805026103","","","0.71073","MoKα","","0.1166","0.0575","","","0.1218","0.1367","","","","","","0.85","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206775","7.514","0.007","8.853","0.008","25.21","0.02","85.15","0.02","89.36","0.02","86.19","0.02","1667","3","123.1","","","","","","","","","","","4","P -1","-P 1","2","","Bis(4-dodecyloxyphenyl)diazene oxide","","- C36 H58 N2 O3 -","- C36 H58 N2 O3 -","- C72 H116 N4 O6 -","2","1","OB6570","Kubo, Kanji; Matsumoto, Taisuke; Mori, Akira; Takahashi, Hajime; Takechi, Haruko","Bis(4-dodecyloxyphenyl)diazene oxide","Acta Crystallographica Section E","2005","61","9","o3056","o3058","10.1107/S1600536805026395","","","0.7107","MoKα","","","0.117","","","","0.226","","","","","","1.212","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206776","5.389","0.0008","12.2012","0.0017","19.998","0.003","90","","91.764","0.01","90","","1314.3","0.3","93.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N6 O6 -","- C30 H26 N6 O6 -","- C60 H52 N12 O12 -","2","0.5","OB6573","Mizuguchi, Jin; Makino, Takashi; Imura, Yasuo; Takahashi, Hiroo; Suzuki, Shigeru","<i>N</i>,<i>N</i>'-Bis(4-pyridyl)naphthalene-3,4:7,8-dicarboximide dimethylformamide disolvate","Acta Crystallographica Section E","2005","61","9","o3044","o3046","10.1107/S1600536805026371","","","1.5418","CuKα","","","0.0967","","","","0.309","","","","","","1.106","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206777","8.195","0.0008","11.1921","0.0008","26.931","0.003","90","","90","","90","","2470.1","0.4","293","2","","","","","","","","","","3","P 21 c a","P -2ac 2a","29","1,3-bis(9-ethylcarbazol-3-yl)propane","1,3-bis(9-ethyl-9H-carbazol-3-yl)propane","","- C31 H30 N2 -","- C31 H30 N2 -","- C124 H120 N8 -","4","1","OM6253","Asker, Erol; Masnovi, John","1,3-Bis(9-ethylcarbazol-3-yl)propane","Acta Crystallographica Section E","2005","61","9","o2781","o2783","10.1107/S1600536805024050","","","0.71073","MoKα","","","0.0515","","","","0.129","","","","","","0.956","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206778","7.5086","0.0004","7.7202","0.0004","16.7277","0.0009","92.256","0.001","93.66","0.001","111.039","0.001","901.16","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","tetraaquabis(4,4'-bipyridine)zinc(II) bis(4-carboxybenzenesulfonate)","","- C34 H34 N4 O14 S2 Zn -","- C34 H34 N4 O14 S2 Zn -","- C34 H34 N4 O14 S2 Zn -","1","0.5","OM6255","Zhang, Li-Ping; Zhu, Long-Guan","The monodentate 4,4'-bipyridine complex tetraaquabis(4,4'-bipyridine)zinc(II) bis(4-carboxybenzenesulfonate)","Acta Crystallographica Section E","2005","61","9","m1768","m1770","10.1107/S1600536805025377","","","0.71073","MoKα","","0.0492","0.0469","","","0.1277","0.1298","","","","","","1.103","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206779","11.7937","0.0013","8.1652","0.0009","17.076","0.0019","90","","106.202","0.002","90","","1579.1","0.3","153","2","153","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Dichlorobis(triphenylphosphine)iron(II)","","- C36 H30 Cl2 Fe P2 -","- C36 H30 Cl2 Fe P2 -","- C72 H60 Cl4 Fe2 P4 -","2","0.5","OM6256","Seewald, Oliver; Flörke, Ulrich; Henkel, Gerald","Dichlorobis(triphenylphosphine)iron(II)","Acta Crystallographica Section E","2005","61","9","m1829","m1830","10.1107/S1600536805026206","","","0.71073","MoKα","","0.0467","0.0403","","","0.1037","0.1068","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206780","10.0909","0.0007","12.7898","0.0009","17.5601","0.0012","95.6425","0.0012","99.8511","0.0013","109.665","0.0011","2072.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","di-μ-isophthalato-bis[bis(isonicotinamide)copper(II)] trihydrate","","- C40 H38 Cu2 N8 O15 -","- C40 H38 Cu2 N8 O15 -","- C80 H76 Cu4 N16 O30 -","2","1","RN6055","Li, Chuanbi; Liu, Bo; Gao, Guanggang; Che, Guangbo","Hydrogen bonding and π‒π stacking in di-μ-isophthalato-bis[bis(isonicotinamide)copper(II)] trihydrate","Acta Crystallographica Section E","2005","61","9","m1705","m1707","10.1107/S1600536805024645","","","0.71073","MoKα","","0.0646","0.0445","","","0.0907","0.0957","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206781","10.2724","0.0009","15.839","0.0013","12.9779","0.0011","90","","90","","90","","2111.6","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Benzyl-2-[2-(benzyloxy)phenyl]-1H-benzimidazole","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C108 H88 N8 O4 -","4","1","RN6057","Tong, Yi-Ping","1-Benzyl-2-[2-(benzyloxy)phenyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2005","61","9","o2978","o2980","10.1107/S1600536805025675","","","0.71073","MoKα","","0.0542","0.0446","","","0.1047","0.1101","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206782","18.799","0.001","11.4968","0.0006","15.2179","0.0008","90","","100.88","0.001","90","","3229.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5-Bis[bis(diethylamino)phosphino]-9,9-dimethylxanthene","","- C31 H52 N4 O P2 -","- C31 H52 N4 O P2 -","- C124 H208 N16 O4 P8 -","4","1","RN6058","David J Adams; John Fawcett; Eric G. Hope; Alison M. Stuart","4,5-Bis[bis(diethylamino)phosphino]-9,9-dimethylxanthene","Acta Crystallographica Section E","2005","61","9","o2831","o2832","10.1107/S1600536805024797","","","0.71073","MoKα","","0.0596","0.0497","","","0.1326","0.1385","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206783","12.8275","0.0012","14.8431","0.0013","7.8272","0.0007","90","","95.334","0.002","90","","1483.8","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-(Propane-1,3-diyldioxy)dibenzaldehyde","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","RZ6105","Pu-Zhou Hu; Lu-Fang Ma; Jian-Ge Wang; Bang-Tun Zhao; Li-Ya Wang","2,2'-(Propane-1,3-diyldioxy)dibenzaldehyde","Acta Crystallographica Section E","2005","61","9","o2775","o2777","10.1107/S1600536805023925","","","0.71073","MoKα","","0.0833","0.0391","","","0.0878","0.1099","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206784","11.47","0.002","4.888","0.0006","15.065","0.002","90","","99.53","0.01","90","","833","0.2","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Nitroquinolin-2(1H)-one","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C36 H24 N8 O12 -","4","1","SG6021","Silva, Luiz Everson da; Joussef, Antonio C.; Foro, Sabine; Schmidt, Boris","6-Nitroquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","9","o2992","o2993","10.1107/S1600536805025894","","","1.5418","CuKα","","0.1066","0.0546","","","0.1248","0.1494","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206785","7.9981","0.0012","11.3139","0.0016","12.0232","0.0017","68.893","0.002","70.744","0.002","70.897","0.002","931","0.2","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","1-[(4-Nitrophenoxy)acetyl]-3-(5-thioxo-4,5-dihydro-1,3,4-thiadiazolin-2-yl)urea dimethylformamide solvate","","- C14 H16 N6 O6 S2 -","- C14 H16 N6 O6 S2 -","- C28 H32 N12 O12 S4 -","2","1","SG6022","Song, Xin-Jian; Tan, Xiao-Hong; Li, Yao-Hua; Zhang, Zheng-Wen; Wang, Yan-Gang","1-[(4-Nitrophenoxy)acetyl]-3-(5-thioxo-4,5-dihydro-1,3,4-thiadiazolin-2-yl)urea dimethylformamide solvate","Acta Crystallographica Section E","2005","61","9","o3066","o3068","10.1107/S1600536805026942","","","0.71073","MoKα","","0.0671","0.0469","","","0.1096","0.1306","","","","","","1.017","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206786","12.334","0.009","12.98","0.011","13.688","0.01","112.51","0.011","90.343","0.002","114.825","0.01","1801","2","173.1","","","","","","","","","","","5","P -1","-P 1","2","","Diaquabis[1,4-bis(1-imidazolyl)benzene]trinitratolanthanum(III) 1,4-bis(1-imidazolyl)benzene hemisolvate monohydrate","","- C30 H31 La N13 O12 -","- C30 H29 La N13 O12 -","- C60 H58 La2 N26 O24 -","2","1","SG6023","Wei-Yin Sun; Zheng-Hua Zhang; Jin-Mao Zhong; Hiroyuki Kawaguchi","Diaquabis[1,4-bis(1-imidazolyl)benzene]trinitratolanthanum(III) 1,4-bis(1-imidazolyl)benzene hemisolvate monohydrate","Acta Crystallographica Section E","2005","61","9","m1876","m1877","10.1107/S1600536805026954","","","0.7107","MoKα","","","0.026","","","","0.075","","","","","","1.001","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206787","4.4079","0.0004","13.3559","0.0011","18.6196","0.0016","90","","96.136","0.012","90","","1089.88","0.16","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(1H-benzimidazole-κN)iodomercury(II)]-μ-iodo]","","- C7 H6 Hg I2 N2 -","- C7 H6 Hg I2 N2 -","- C28 H24 Hg4 I8 N8 -","4","1","SG6024","Yi-Hong Shen; Jia-Geng Liu; Duan-Jun Xu","<i>catena</i>-Poly[[(1<i>H</i>-benzimidazole-κ<i>N</i>)iodomercury(II)]-μ-iodo]","Acta Crystallographica Section E","2005","61","9","m1880","m1882","10.1107/S1600536805026966","","","0.71069","MoKα","","0.039","0.033","","","0.065","0.067","","","","","","1.199","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206788","8.947","0.002","14.082","0.008","13.604","0.002","91.51","0.02","98.18","0.02","112.27","0.02","1564","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[Ni(depe)Cl2]","[1,2-bis(diethylphosphino)ethane]dichloronickel(II)","","- C10 H24 Cl2 Ni P2 -","- C10 H24 Cl2 Ni P2 -","- C40 H96 Cl8 Ni4 P8 -","4","2","SJ6120","Davies, Sian C.; Duff, Samantha E.; Evans, David J.","[1,2-Bis(diethylphosphino)ethane]dichloronickel(II)","Acta Crystallographica Section E","2005","61","9","m1674","m1676","10.1107/S160053680502386X","","","0.71069","Mo-Kα","","0.0482","0.0327","","","0.0794","0.0889","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206789","10.4835","0.0019","9.4768","0.0018","18.66","0.004","90","","90.981","0.004","90","","1853.6","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[4-benzoyl-5-methyl-2-phenyl-2H-pyrazol-3(4H)-onato- κ^2^O,O']bis(N,N-dimethylformamide-κO)cadmium(II)","","- C40 H40 Cd N6 O6 -","- C40 H40 Cd N6 O6 -","- C80 H80 Cd2 N12 O12 -","2","0.5","SJ6124","Xiao-Ping Shen; Ai-Hua Yuan","Bis[4-benzoyl-5-methyl-2-phenyl-2<i>H</i>-pyrazol-3(4<i>H</i>)-onato-κ^2^<i>O</i>,<i>O</i>']bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cadmium(II)","Acta Crystallographica Section E","2005","61","9","m1714","m1716","10.1107/S1600536805024360","","","0.71073","MoKα","","0.0744","0.0627","","","0.1055","0.1101","","","","","","1.088","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206790","14.944","0.002","5.0501","0.0008","16.264","0.003","90","","107.843","0.003","90","","1168.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl (4-bromo-1H-pyrrole-2-carboxamido)acetate","","- C9 H11 Br N2 O3 -","- C9 H11 Br N2 O3 -","- C36 H44 Br4 N8 O12 -","4","1","SJ6125","Xiang Chao Zeng","Ethyl (4-bromo-1<i>H</i>-pyrrole-2-carboxamido)acetate","Acta Crystallographica Section E","2005","61","9","o2958","o2960","10.1107/S1600536805024906","","","0.71073","MoKα","","0.0713","0.0366","","","0.0936","0.1102","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206791","9.676","0.003","19.118","0.006","13.882","0.003","90","","95.9","0.02","90","","2554.4","1.3","546","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C12 H36 N4 O12 P4 , 2H2O","Bis(1,6-hexanediaminium) cyclotetraphosphate dihydrate","","- C12 H40 N4 O14 P4 -","- C12 H40 N4 O14 P4 -","- C48 H160 N16 O56 P16 -","4","1","SJ6127","Soumhi, El Hassane; Saadoune, Ismael; Nahouane, Rachid; Driss, Ahmed","Bis(1,6-hexanediaminium) cyclotetraphosphate dihydrate","Acta Crystallographica Section E","2005","61","9","o2847","o2849","10.1107/S1600536805024542","","","0.71073","MoKα","","0.0492","0.0362","","","0.0946","0.1021","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206792","8.467","0.002","13.808","0.003","14.453","0.002","90","","106.62","0.02","90","","1619.1","0.6","300","2","300","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C26 H32 N4 P4 O12","Bis(4,4'-diphenylmethylendiammonium) cyclotetraphosphate","","- C26 H32 N4 O12 P4 -","- C26 H32 N4 O12 P4 -","- C52 H64 N8 O24 P8 -","2","0.5","SJ6128","Nahouane, Rachid; Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed","4,4'-Methylenedianilinium hemi(cyclotetraphosphate)","Acta Crystallographica Section E","2005","61","9","o2850","o2852","10.1107/S1600536805025043","","","0.71073","MoKα","","0.0506","0.0384","","","0.11","0.1176","","","","","","1.079","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2206793","6.8945","0.0009","17.432","0.002","13.8726","0.0019","90","","97.771","0.002","90","","1652","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triaquabis(4-carboxy-1H-imidazole-5-carboxylato)cadmium(II) monohydrate","","- C10 H14 Cd N4 O12 -","- C10 H14 Cd N4 O12 -","- C40 H56 Cd4 N16 O48 -","4","1","SJ6130","Xiao-Jun Zhao; Xiu-Juan Jiang; Miao Du","Triaquabis(4-carboxy-1<i>H</i>-imidazole-5-carboxylato)cadmium(II) monohydrate: a three-dimensional hydrogen-bonded network","Acta Crystallographica Section E","2005","61","9","m1746","m1748","10.1107/S1600536805025122","","","0.71073","MoKα","","0.0346","0.0301","","","0.0784","0.0815","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206794","6.912","0.001","10.751","0.001","12.08","0.002","90","","103.18","0.01","90","","874","0.2","286","2","286","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4,8,11b-tetramethyl-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro- 1H,9H-6a:7,10a:11-diepoxyphenanthro[3,2-b]furan-9-one","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","SU6216","Bai, Su-Ping; Zhu, Zhen-Fu; Yang, Li","An <i>ent</i>-abietane diterpenoid from <i>Doellingeria scaber</i>","Acta Crystallographica Section E","2005","61","9","o2853","o2855","10.1107/S1600536805025171","","","0.71073","MoKα","","0.061","0.0397","","","0.0818","0.0883","","","","","","0.888","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206795","11.0162","0.0012","19.98","0.002","9.5802","0.001","90","","99.092","0.003","90","","2082.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(N-Phenylbenzimidoyl)thiobenzanilide","","- C26 H20 N2 S -","- C26 H20 N2 S -","- C104 H80 N8 S4 -","4","1","SU6223","Naumov, Panc̆e; Ristovska, Natas̆a; Anastasova, Frosa; Ng, Seik Weng","<i>N</i>-(<i>N</i>-Phenylbenzimidoyl)thiobenzanilide","Acta Crystallographica, Section E","2005","61","9","o3036","o3037","10.1107/S160053680502653X","","","0.71073","MoKα","","0.106","0.058","","","0.131","0.153","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206796","13.4969","0.0003","11.7546","0.0003","16.1467","0.0004","90","","97.842","0.001","90","","2537.73","0.11","105","2","105","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-Bis(2-methoxyphenyl)-1-nitroso-3,5-diphenylpiperidin-4-one","","- C31 H28 N2 O4 -","- C31 H28 N2 O4 -","- C124 H112 N8 O16 -","4","1","SU6224","J. Suresh; V. P. Alex Raja; R. V. Krishnakumar; S. Natarajan; S. Perumal; A. Mostad","2,6-Bis(2-methoxyphenyl)-1-nitroso-3,5-diphenylpiperidin-4-one","Acta Crystallographica Section E","2005","61","9","o3050","o3052","10.1107/S1600536805026553","","","0.71073","MoKα","","0.047","0.035","","","0.092","0.098","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206797","14.1311","0.0007","3.8481","0.0002","22.0365","0.0011","90","","94.752","0.001","90","","1194.18","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-Dichloro-N-(4-fluorobenzylidene)aniline","","- C13 H8 Cl2 F N -","- C13 H8 Cl2 F N -","- C52 H32 Cl8 F4 N4 -","4","1","SU6226","Wang, Xin; Zhang, Shu-Ping; Shao, Si-Chang","3,5-Dichloro-<i>N</i>-(4-fluorobenzylidene)aniline","Acta Crystallographica Section E","2005","61","9","o3071","o3072","10.1107/S1600536805026577","","","0.71073","MoKα","","0.0409","0.0368","","","0.1039","0.1064","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206798","8.6515","0.001","14.721","0.002","16.734","0.003","90","","97.702","0.004","90","","2112","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloro-N-(2,4,6-trimethyl-benzyl)-N-(naphthalen-1-yl-methyl)- imidazolidin-2-ylideneruthenium","","- C24 H26 Cl2 N2 Ru -","- C24 H26 Cl2 N2 Ru -","- C96 H104 Cl8 N8 Ru4 -","4","1","TK6235","Arslan, Hakan; VanDerveer, Don; Özdemir, İsmail; Yaşar, Sedat; Çetinkaya, Bekir","Dichloro[3-(1-naphthylmethyl)-1-(2,4,6-trimethylbenzyl)imidazolidin-2-ylidene]ruthenium","Acta Crystallographica Section E","2005","61","9","m1873","m1875","10.1107/S160053680502698X","","","0.71073","MoKα","","0.038","0.029","","","0.06","0.063","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206799","15.325","0.003","14.009","0.002","5.8501","0.001","90","","92.908","0.004","90","","1254.3","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(4-chlorophenyl)prop-2-en-1-one","","- C15 H10 Cl2 O -","- C15 H10 Cl2 O -","- C60 H40 Cl8 O4 -","4","1","TK6238","Lei Wang; Wen Yang; De-Chun Zhang","1,3-Bis(4-chlorophenyl)prop-2-en-1-one","Acta Crystallographica, Section E","2005","61","9","o2820","2822","10.1107/S1600536805024566","","","0.7107","MoKα","","0.063","0.048","","","0.098","0.105","","","","","","1.15","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206800","33.9602","0.0007","33.9602","","3.9152","0.0001","90","","90","","120","","3910.43","0.13","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","catena-Poly[[[bis(3-aminopyridine-κN)copper(II)]-di-μ-chloro] hydrate]","","- C10 H14 Cl2 Cu N4 O -","- C10 H14 Cl2 Cu N4 O -","- C90 H126 Cl18 Cu9 N36 O9 -","9","0.5","TK6244","Lah, Nina; Leban, Ivan","<i>catena</i>-Poly[[[bis(3-aminopyridine-κ<i>N</i>)copper(II)]-di-μ-chloro] hydrate]","Acta Crystallographica Section E","2005","61","9","m1708","m1710","10.1107/S1600536805024578","","","0.71073","MoKα","","0.087","0.069","","","0.197","0.222","","","","","","1.25","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2206801","7.2045","0.0008","9.1939","0.001","11.2326","0.0013","111.03","0.002","97.764","0.002","106.37","0.002","642.71","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","μ-2,3,5,6-tetra-2-pyridylpyrazine-κ^4^N^2^,N^6^:N^3^,N^5^- bis[dichloromercury(II)]","","- C24 H16 Cl4 Hg2 N6 -","- C24 H16 Cl4 Hg2 N6 -","- C24 H16 Cl4 Hg2 N6 -","1","0.5","TK6246","Zhang, Lei; Zhao, Xin-Hua; Zhao, Yuan","μ-2,3,5,6-Tetra-2-pyridylpyrazine-bis[dichloromercury(II)]","Acta Crystallographica Section E","2005","61","9","m1760","m1761","10.1107/S1600536805024712","","","0.71073","MoKα","","0.028","0.026","","","0.064","0.065","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206802","9.605","0.003","5.0901","0.0016","12.193","0.004","90","","101.37","0.02","90","","584.4","0.3","293","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,3'-dimethyl-2-thenil","1,2-Bis(3-methyl-2-thienyl)ethane-1,2-dione","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C24 H20 O4 S4 -","2","0.5","TK6247","Cantalupo, Stefanie A.; Crundwell, Guy","1,2-Bis(3-methyl-2-thienyl)ethane-1,2-dione","Acta Crystallographica Section E","2005","61","9","o3079","o3080","10.1107/S1600536805027108","","","0.71073","MoKα","","0.086","0.047","","0.087","0.052","0.052","","","","","","1.13","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206803","22.446","0.003","3.8547","0.0005","11.5504","0.0015","90","","90","","90","","999.4","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(2-Hydroxyphenyl)-1,3-benzoxazole","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","1","TK6249","Tong, Yi-Ping","2-(2-Hydroxyphenyl)-1,3-benzoxazole","Acta Crystallographica Section E","2005","61","9","o3076","o3078","10.1107/S1600536805027066","","","0.71073","MoKα","","0.079","0.059","","","0.154","0.17","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206804","8.629","0.002","9.784","0.002","9.863","0.009","90","","105.61","0.05","90","","802","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","p-Bromoaniline hydrochloride","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C24 H28 Br4 Cl4 N4 -","4","1","TK6250","Gustavo Portalone","<i>p</i>-Bromoanilinium chloride","Acta Crystallographica Section E","2005","61","9","o3083","o3085","10.1107/S160053680502595X","","","0.710689","MoKα","","0.03","0.028","","","0.071","0.072","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206805","10.058","0.0007","8.8663","0.0006","21.87","0.002","90","","96.481","0.001","90","","1937.8","0.3","158","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,5-Dibromo-2,4-bis[(2-bromophenyl)ethynyl]benzene","","- C22 H10 Br4 -","- C22 H10 Br4 -","- C88 H40 Br16 -","4","1","TK6251","Westmoreland, Ian; Miyagi, Lowell; Que, Emily L.","1,5-Dibromo-2,4-bis[(2-bromophenyl)ethynyl]benzene","Acta Crystallographica Section E","2005","61","9","o2894","o2895","10.1107/S1600536805025237","","","0.7107","MoKα","","0.034","0.034","","0.042","","0.042","","","","","","1.48","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206806","10.254","0.0007","17.0933","0.0009","8.0635","0.0011","90","","92.56","0.006","90","","1411.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(1-Naphthylsulfonyl)-1a,2,6,6a-tetrahydro-1H,4H-1,3-dioxepino[5,6-b]azirine","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","WK6058","Prugovečki, Biserka; Marinković, Marina; Vinković, Mladen; Dumić, Miljenko","1-(1-Naphthylsulfonyl)-1a,2,6,6a-tetrahydro-1<i>H</i>,4<i>H</i>-1,3-dioxepino[5,6-<i>b</i>]azirine","Acta Crystallographica Section E","2005","61","9","o2844","o2846","10.1107/S1600536805024931","","","0.71073","MoKα","","0.1572","0.0511","","","0.1001","0.1281","","","","","","0.952","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206807","3.4147","0.0004","6.506","0.0007","17.8263","0.0019","90","","90","","90","","396.03","0.08","296","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cadmium zinc diborate","cadmium zinc diborate","","- B2 Cd1.171 O5 Zn0.829 -","- B2 Cd1.171 O5 Zn0.829 -","- B8 Cd4.684 O20 Zn3.316 -","4","1","WM6073","Yuan, Xin; Wang, Ru-Ji; Shen, De-Zhong; Wang, Xiao-Qing; Shen, Guang-Qiu","Cd~1.17~Zn~0.83~B~2~O~5~, a new cadmium zinc diborate","Acta Crystallographica Section E","2005","61","9","i196","i198","10.1107/S1600536805024608","","","0.71073","MoKα","","0.0319","0.0319","","","0.0793","0.0793","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206808","10.3229","0.0002","8.9307","0.0002","11.1826","0.0002","90","","106.371","0.001","90","","989.13","0.03","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cesium gadolinium polyphosphate","","- Cs Gd O12 P4 -","- Cs Gd O12 P4 -","- Cs4 Gd4 O48 P16 -","4","1","WM6085","Naïli, Houcine; Mhiri, Tahar","Caesium gadolinium polyphosphate, CsGd(PO~3~)~4~","Acta Crystallographica Section E","2005","61","9","i204","i207","10.1107/S1600536805025705","","","0.71073","MoKα","","0.0183","0.0176","","","0.0455","0.0458","","","","","","1.239","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206809","8.725","0.002","7.932","0.001","11.969","0.004","90","","99.53","0.02","90","","816.9","0.3","295","","295","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Dirubidium diiodoaurate(I) tetraiodoaurate(III)","","- Au2 I6 Rb2 -","- Au2 I6 Rb2 -","- Au4 I12 Rb4 -","2","0.25","WM6086","Matsushita, Nobuyuki; Tanaka, Atsushi; Kojima, Norimichi","A three-dimensional iodo-bridged mixed-valence gold(I,III) compound, Rb~2~[Au^I^I~2~][Au^III^I~4~]","Acta Crystallographica Section E","2005","61","9","i201","i203","10.1107/S1600536805025432","","","0.71069","MoKα","","","0.0661","","","","0.0971","","","","","","1.7201","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206810","13.1554","0.001","7.452","0.0004","17.9508","0.001","90","","90","","90","","1759.79","0.19","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","tetrapotassium niobium tantalum undecasulfide","","- K4 Nb1.04 S11 Ta0.96 -","- K4 Nb1.042 S11 Ta0.958 -","- K16 Nb4.168 S44 Ta3.832 -","4","1","WM6087","Yuandong Wu; Christian Näther; Wolfgang Bensch","K~4~Nb~0.96~Ta~1.04~S~11~","Acta Crystallographica Section E","2005","61","9","i208","i210","10.1107/S1600536805026930","","","0.71073","MoKα","","0.0215","0.0212","","","0.0562","0.0565","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206811","3.9585","0.001","6.9894","0.0017","23.15","0.006","90","","90.416","0.004","90","","640.5","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(4-chlorobenzylidene)hydrazine","","- C14 H10 Cl2 N2 -","- C14 H10 Cl2 N2 -","- C28 H20 Cl4 N4 -","2","0.5","WN6370","Zheng, Peng-Wu; Wang, Wei; Duan, Xue-Min","<i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)hydrazine","Acta Crystallographica Section E","2005","61","9","o3020","o3021","10.1107/S1600536805026279","","","0.71073","MoKα","","0.0596","0.0388","","","0.0898","0.1014","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206812","11.8828","0.0009","6.7072","0.0005","21.1191","0.0016","90","","92.084","0.001","90","","1682.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(2-furyl)methyleneamino]- 1H-pyrazole-3-carbonitrile","","- C16 H7 Cl2 F3 N4 O -","- C16 H7 Cl2 F3 N4 O -","- C64 H28 Cl8 F12 N16 O4 -","4","1","WW6369","Zhong, Ping; Yang, Zhiping; Shi, Qian; Hu, Maolin; Li, Shuyan; Tang, Riyuan","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(2-furyl)methyleneamino]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","9","o2972","o2973","10.1107/S1600536805025699","","","0.71073","MoKα","","0.0768","0.0688","","","0.1953","0.2039","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206813","3.825","0.0008","6.241","0.0012","18.988","0.004","90","","95.25","0.03","90","","451.38","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","para-fluorobenzalhydantoin","5-(4-Fluorobenzylidene)imidazolidine-2,4-dione","","- C10 H7 F N2 O2 -","- C10 H7 F N2 O2 -","- C20 H14 F2 N4 O4 -","2","1","WW6390","Jia, Hong-Hua; Ni, Fang; Wang, Jun; Wei, Ping; Ouyang, Ping-Kai","5-(4-Fluorobenzylidene)imidazolidine-2,4-dione","Acta Crystallographica Section E","2005","61","9","o2784","o2786","10.1107/S1600536805024104","","","0.71073","MoKα","","0.057","0.0397","","","0.102","0.114","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206814","32.134","0.005","10.8983","0.0015","22.339","0.003","90","","132.932","0.002","90","","5727.9","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Ethyl 5-methyl 4-(2-chlorophenyl)-6-methyl-2-[(2-phthalimidoethoxy)methyl]- 1,4-dihydropyridine-3,5-dicarboxylate diethyl ether hemisolvate","","- C30 H32 Cl N2 O7.5 -","- C30 H32 Cl N2 O7.5 -","- C240 H256 Cl8 N16 O60 -","8","1","WW6395","Liu, He-Chao; Feng, Ya-Qing","3-Ethyl 5-methyl 4-(2-chlorophenyl)-6-methyl-2-[(2-phthalimidoethoxy)methyl]-1,4-dihydropyridine-3,5-dicarboxylate diethyl ether hemisolvate","Acta Crystallographica Section E","2005","61","9","o3006","o3007","10.1107/S1600536805023950","","","0.71073","MoKα","","0.1188","0.0471","","","","0.1377","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2206815","15.822","0.004","15.822","0.004","12.844","0.004","90","","90","","90","","3215.3","1.5","294","2","294","2","","","","","","","","4","P 43","P 4cw","78","","N,N-bis(3,5-di-tert-butyl-4-hydroxybenzyl)-N-propylamine","","- C33 H53 N O2 -","- C33 H53 N O2 -","- C132 H212 N4 O8 -","4","1","WW6399","Zeng, Tao; Shu, Xue-Gui; Dong, Chuan-Ming; Chen, Li-Gong","<i>N</i>,<i>N</i>-Bis(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)-<i>N</i>-propylamine","Acta Crystallographica Section E","2005","61","9","o2999","o3000","10.1107/S1600536805025961","","","0.71073","MoKα","","0.1384","0.0535","","","0.1222","0.1644","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206816","12.06","0.002","18.511","0.004","8.936","0.0018","90","","102.99","0.03","90","","1943.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C92 H84 N4 O16 -","4","1","WW6411","Guo, Cheng; Gu, Xi-feng","Ethyl 2-amino-4-(4-methoxyphenyl)-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2005","61","9","o3101","o3103","10.1107/S1600536805025006","","","0.71073","MoKα","","0.1261","0.0554","","","0.148","0.1838","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206817","6.996","0.0014","10.542","0.002","13.522","0.003","101.45","0.03","96.33","0.03","96.82","0.03","961.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-amino-4-(2-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","WW6412","Guo, Cheng; Gu, Xi-Feng","Ethyl 2-amino-4-(2-methoxyphenyl)-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2005","61","9","o3104","o3105","10.1107/S1600536805025018","","","0.71073","MoKα","","0.0997","0.0566","","","0.1574","0.1874","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206818","14.235","0.004","6.901","0.002","8.538","0.003","90","","118.12","0.01","90","","739.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Tetraaquabis(pyridine-3-carboxylato-κN)iron(II)","","- C12 H16 Fe N2 O8 -","- C12 H16 Fe N2 O8 -","- C24 H32 Fe2 N4 O16 -","2","0.25","WW6414","Liang, Yong; Li, Wei; Guo, Bao-Jing","Tetraaquabis(pyridine-3-carboxylato-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2005","61","9","m1782","m1784","10.1107/S1600536805025420","","","0.71073","MoKα","","0.0602","0.0519","","","0.1337","0.1389","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206819","8.3","0.002","12.698","0.003","14.428","0.004","103.836","0.017","103.21","0.02","105.087","0.019","1355.3","0.7","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 4,8-dioxo-2,6-di-p-chlorophenyl-1,3,5,7-tetrahydro-2,3a,4a,6,7a,8a- hexaazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C26 H26 Cl2 N6 O6 -","- C26 H26 Cl2 N6 O6 -","- C52 H52 Cl4 N12 O12 -","2","1","WW6416","Yin, Guo-Dong; Zhou, Bao-Han; Wu, An-Xin","Diethyl 4,8-dioxo-2,6-di-<i>p</i>-chlorophenyl-1,3,5,7-tetrahydro-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2005","61","9","o2787","o2788","10.1107/S1600536805024116","","","0.71073","MoKα","","0.0542","0.0414","","","0.1059","0.1125","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206820","14.177","0.005","12.967","0.004","18.885","0.006","90","","106.237","0.005","90","","3333.2","1.9","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-Poly[[aqua(cis-syn-cis-dicyclohexyl-18-crown-6)lead(II)]-μ- thiocyanato-κ^2^N:S-[dithiocyanatopallalium(II)]-μ-thiocyanato-κ^2^S:N]","","- C24 H38 N4 O7 Pb Pd S4 -","- C24 H38 N4 O7 Pb Pd S4 -","- C96 H152 N16 O28 Pb4 Pd4 S16 -","4","1","XU6031","Yun-Ming Sun; Feng-Ying Dong; Jian-Min Dou; Xi-Ke Gao; Da-Cheng Li; Da-Qi Wang","<i>catena</i>-Poly[[aqua(<i>cis</i>-<i>syn</i>-<i>cis</i>-dicyclohexyl-18-crown-6)lead(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-[dithiocyanatopalladium(II)]-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section E","2005","61","9","m1787","m1788","10.1107/S1600536805025407","","","0.71073","MoKα","","0.064","0.033","","","0.043","0.046","","","","","","0.946","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206821","3.61","0.0011","14.11","0.004","10.915","0.003","90","","97.06","0.004","90","","551.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","poly[copper(II)-μ~6~-benzene-1,3,5-tricarboxylato-tri-μ~3~-hydroxo]","","- C9 H6 Cu3 O9 -","- C9 H6 Cu3 O9 -","- C18 H12 Cu6 O18 -","2","0.5","XU6033","Wei, Wen-Ying; Han, Jin-Yu","A polymeric copper(II) complex bridged by benzene-1,3,5-tricarboxylate","Acta Crystallographica Section E","2005","61","9","m1792","m1793","10.1107/S1600536805025687","","","0.71073","MoKα","","0.028","0.023","","","0.062","0.065","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206822","18.27","0.006","11.8","0.004","21.927","0.008","90","","110.648","0.008","90","","4424","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene]potassium(I) bis(2-thioxo-4,5-dihydro-1,3-dithiole-4,5-dithiolato)nickel(III)","","- C34 H40 K Ni O10 S10 -","- C34 H40 K Ni O10 S10 -","- C136 H160 K4 Ni4 O40 S40 -","4","1","XU6034","Jun-Hong Zhang; Da-Qi Wang; Jian-Min Dou","Bis[2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene]potassium(I) bis(2-thioxo-4,5-dihydro-1,3-dithiole-4,5-dithiolato)nickel(III)","Acta Crystallographica Section E","2005","61","9","m1699","m1700","10.1107/S160053680502430X","","","0.71073","MoKα","","0.141","0.047","","","0.049","0.057","","","","","","0.854","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206823","10.029","0.002","7.486","0.0015","15.608","0.003","90","","100.26","0.03","90","","1153.1","0.4","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-3-[(1-Ethoxycarbonyl-2-phenylethyl)amino]-1-ferrocenylbut-2-en-1-one","(S)-ethyl 2-[1-(1-ferrocenylcarbonyl)prop-1-en-2-ylamino]-3-phenylpropionate","","- C25 H27 Fe N O3 -","- C25 H27 Fe N O3 -","- C50 H54 Fe2 N2 O6 -","2","1","XU6035","Yao-Cheng Shi; Chun-Xia Sui; Jin-Juan Wu","(<i>S</i>)-3-[(1-Ethoxycarbonyl-2-phenylethyl)amino]-1-ferrocenylbut-2-en-1-one","Acta Crystallographica Section E","2005","61","9","m1878","m1879","10.1107/S1600536805026978","","","0.71073","MoKα","","0.074","0.044","","","0.109","0.121","","","","","","1.044","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206824","13.032","0.004","13.032","0.004","17.558","0.007","90","","90","","120","","2582.4","1.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Hexakis(μ~2~-4-amino-4H-1,2,4-triazole)hexachlorotricadmium(II)","","- C12 H24 Cd3 Cl6 N24 -","- C12 H24 Cd3 Cl6 N24 -","- C36 H72 Cd9 Cl18 N72 -","3","0.166667","XU6036","Xuan-Wen, Liu","Hexakis(μ~2~-4-amino-4<i>H</i>-1,2,4-triazole)hexachlorotricadmium(II)","Acta Crystallographica Section E","2005","61","9","m1777","m1778","10.1107/S1600536805025468","","","0.71073","MoKα","","0.038","0.032","","","0.086","0.09","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206825","19.369","0.003","15.515","0.002","17.246","0.003","90","","93.72","0.01","90","","5171.7","1.4","295","2","295","3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[5-bromo-1H-indole-3-carbaldehyde (2-nitrobenzoyl)hydrazonato- κ^2^N,O]bis(pyridine-κN)nickel(II) pyridine disolvate","","- C52 H40 Br2 N12 Ni O6 -","- C52 H40 Br2 N12 Ni O6 -","- C208 H160 Br8 N48 Ni4 O24 -","4","0.5","XU6037","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng","Bis[5-bromo-1<i>H</i>-indole-3-carbaldehyde (2-nitrobenzoyl)hydrazonato-κ^2^<i>N</i>,<i>O</i>]bis(pyridine-κ<i>N</i>)nickel(II) pyridine disolvate","Acta Crystallographica Section E","2005","61","9","m1682","m1683","10.1107/S1600536805024062","","","0.71073","MoKα","","0.059","0.038","","","0.101","0.111","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206826","22.4629","0.0005","10.5743","0.0002","7.86","0.0002","90","","106.565","0.0009","90","","1789.5","0.07","296","1","296","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diaquabis(vanillinato-κ^2^O,O')manganese(II)","","- C16 H18 Mn O8 -","- C16 H18 Mn O8 -","- C64 H72 Mn4 O32 -","4","0.5","XU6038","Jian Gao; Yu Liu","Diaquabis(vanillinato-κ^2^<i>O</i>,<i>O</i>')manganese(II)","Acta Crystallographica Section E","2005","61","9","m1692","m1693","10.1107/S1600536805024293","","","0.71073","MoKα","","0.036","0.028","","","0.077","0.1","","","","","","1.192","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206827","7.7562","0.0005","14.1641","0.0008","9.6837","0.0006","90","","102.743","0.001","90","","1037.64","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[μ-2-(semicarbazonomethyl)phenolato]- 1κ^3^O^3^,N^1^,O:2κO;1κO:2κ^3^O^3^,N^1^,O-bis[(formato-κO)copper(II)]","","- C18 H18 Cu2 N6 O8 -","- C18 H18 Cu2 N6 O8 -","- C36 H36 Cu4 N12 O16 -","2","0.5","XU6043","Gerasimenko, Andrey V.; Davidovich, Ruven L.; Bulimestru, Ion G.; Gulea, Aurelian P.; Ng, Seik Weng","Bis(μ-salicylaldehyde semicarbazonato)bis[formatocopper(II)]","Acta Crystallographica Section E","2005","61","9","m1816","m1817","10.1107/S1600536805025845","","","0.71073","MoKα","","0.043","0.033","","","0.085","0.09","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206828","7.6369","0.0004","8.519","0.0004","18.2777","0.0009","84.952","0.001","84.505","0.001","65.275","0.001","1073.64","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidinium tetrachlorocobaltate(II) monohydrate","","- C14 H20 Cl4 Co N8 O -","- C14 H20 Cl4 Co N8 O -","- C28 H40 Cl8 Co2 N16 O2 -","2","1","YA6255","Maldonado, Carmen R.; Quirós, Miguel; Salas, Juan M.; Sánchez, M. Purificación","5,7-Dimethyl-1,2,4-triazolo[1,5-a]pyrimidinium tetrachlorocobaltate(II) monohydrate","Acta Crystallographica, Section E: Structure Reports Online","2005","61","9","m1721","m1723","10.1107/S1600536805024633","","","0.71073","MoKα","","0.037","0.031","","","0.077","0.08","","","","","","1.04","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2206830","6.885","0.002","6.969","0.002","27.348","0.009","90","","90","","90","","1312.2","0.7","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","10α-Hydroxy-1-oxoeremophila-7(11),8(9)-dien-12,8-olide","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","AC6170","Wu, Quan-Xiang; Shi, Yan-Ping; Shi, Yan-Ping","10α-Hydroxy-1-oxoeremophila-7(11),8(9)-dien-12,8-olide","Acta Crystallographica Section E","2005","61","10","o3502","o3504","10.1107/S1600536805030795","","","0.71073","MoKα","","0.0596","0.0392","","","0.0791","0.0842","","","","","","0.905","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206831","12.7084","0.001","8.0446","0.0009","20.2971","0.0016","90","","119.05","0.005","90","","1814","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[2-Methyl-4-(4-methylphenyldiazenyl)phenoxy]phtalonitrile","","- C22 H16 N4 O -","- C22 H16 N4 O -","- C88 H64 N16 O4 -","4","1","AC6181","Deveci, Özlem; Işık, Şamil; Albayrak, Çiǧdem; Ağar, Erbil","4-[2-Methyl-4-(4-methylphenyldiazenyl)phenoxy]phthalonitrile","Acta Crystallographica Section E","2005","61","10","o3327","o3329","10.1107/S1600536805029053","","","0.71073","MoKα","","0.117","0.053","","","0.137","0.1565","","","","","","0.91","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206832","7.5746","0.0011","9.3984","0.0013","7.9482","0.0011","90","","117.139","0.002","90","","503.53","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-methylimidazolidin-2-one","","- C4 H8 N2 O -","- C4 H8 N2 O -","- C16 H32 N8 O4 -","4","1","AC6191","Caudle, M. Tyler; Tassone, Erica; Groy, Thomas L.","Anhydrous 1-methylimidazolidin-2-one","Acta Crystallographica Section E","2005","61","10","o3269","o3270","10.1107/S1600536805028023","","","0.71073","MoKα","","0.0913","0.0702","","","0.1483","0.1605","","","","","","1.161","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206833","16.8478","0.0006","7.7746","0.0003","13.0702","0.0005","90","","109.816","0.001","90","","1610.62","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Pd (N O3)2 (2 H8 N2)]","(Ethane-1,2-diamine)dinitratopalladium(II)","","- C2 H8 N4 O6 Pd -","- C2 H8 N4 O6 Pd -","- C16 H64 N32 O48 Pd8 -","8","2","AC6192","Bray, David J.; Clegg, Jack K.; Liao, Li-Ling; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David; Wei, Gang; Won, Tai-Jin","(Ethane-1,2-diamine)dinitratopalladium(II)","Acta Crystallographica Section E","2005","61","10","m1940","m1942","10.1107/S1600536805027224","","","0.71073","MoKα","","0.0183","0.0162","","","0.0419","0.0431","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2206834","10.6918","0.0011","7.1329","0.0007","22.794","0.002","90","","102.538","0.002","90","","1696.9","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')(thiodiacetato- κ^3^O,S,O')cobalt(II) dihydrate","","- C10 H16 Co N4 O7 S3 -","- C10 H16 Co N4 O7 S3 -","- C40 H64 Co4 N16 O28 S12 -","4","1","AC6195","Bing-Xin Liu; Jian-Yong Yu; Duan-Jun Xu","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobalt(II) dihydrate","Acta Crystallographica Section E","2005","61","10","m1978","m1980","10.1107/S1600536805028059","","","0.71073","MoKα","","0.052","0.042","","","0.097","0.102","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206835","10.766","0.002","11.648","0.002","11.813","0.002","69.89","0.03","74.07","0.03","75.84","0.03","1319","0.5","173","2","","","","","","","","","","4","P -1","-P 1","2","Tetranitrodibenzo-18-crown-6","2,3,11,12-[4',4'',5',5''-Tetranitro]dibenzo- 1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene","","- C22 H25 N5 O15 -","- C22 H25 N5 O15 -","- C44 H50 N10 O30 -","2","1","AC6196","Belousoff, Matthew J.; Langford, Steven J.; Latter, Melissa J.; Lau, Vei L.","4',4'',5',5''-Tetranitro-2,3:11,12-dibenzo- 1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene acetonitrile solvate monohydrate","Acta Crystallographica Section E","2005","61","10","o3283","o3284","10.1107/S1600536805028564","","","0.71073","MoKα","","","0.0499","","","","0.1185","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206836","9.924","0.002","11.936","0.003","14.89","0.004","90","","104.003","0.004","90","","1711.3","0.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N'-[(E)-4-(2-Hydroxyethoxy)-3-methoxybenzylidene]benzohydrazide monohydrate","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C68 H80 N8 O20 -","4","1","AC6197","Chun-Hua Diao; Ming Yu; Xin Chen; Zuo-Liang Jing; Qi-Liang Deng","<i>N</i>'-[(<i>E</i>)-4-(2-Hydroxyethoxy)-3-methoxybenzylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2005","61","10","o3500","o3501","10.1107/S1600536805030655","","","0.71073","MoKα","","0.0893","0.0443","","","0.1048","0.1293","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206837","6.414","0.0013","10.643","0.002","13.308","0.003","108.59","0.03","96.11","0.03","96.95","0.03","844.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C42 H32 N4 O4 -","2","1","AC6199","Gu, Xi-Feng; Guo, Cheng; Zhang, Dong-Mei; Tang, Qing-Gang","2-Amino-4-(4-methoxyphenyl)-4<i>H</i>-benzo[<i>h</i>]chromene-3-carbonitrile","Acta Crystallographica Section E","2005","61","10","o3419","o3420","10.1107/S160053680502982X","","","0.71073","MoKα","","0.0927","0.0508","","","0.1568","0.2016","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206838","5.8095","0.0001","24.292","0.0004","8.5473","0.0002","90","","99.2211","0.0008","90","","1190.64","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(3-Nitrobenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","AC6200","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(3-Nitrobenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2005","61","10","o3254","o3256","10.1107/S1600536805028576","","","0.71073","MoKα","","0.0483","0.0373","","","0.0919","0.0985","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206839","19.3783","0.0004","10.568","0.0006","7.3257","0.0003","90","","90","","90","","1500.23","0.11","90","0.2","90","0.2","","","","","","","","5","C m c 21","C 2c -2","36","","(2E,4E)-8-Methyl-2,4-bis-thiophen-3-ylmethylene-8-azabicyclo[3.2.1]octan-3-one","","- C18 H17 N O S2 -","- C18 H17 N O S2 -","- C72 H68 N4 O4 S8 -","4","0.5","AC6202","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(2<i>E</i>,4<i>E</i>)-8-Methyl-2,4-bis(3-thienylmethylene)-8-azabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section E","2005","61","10","o3445","o3446","10.1107/S160053680503028X","","","0.71073","MoKα","","0.0363","0.0313","","","0.0709","0.0738","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2206840","5.0205","0.0011","13.081","0.003","17.598","0.004","90","","97.085","0.004","90","","1146.9","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-acetyl-4-methyl-2-(2-fluorophenylamino)-1,3-thiazole","","- C12 H11 F N2 O S -","- C12 H11 F N2 O S -","- C48 H44 F4 N8 O4 S4 -","4","1","AC6203","Kasim, Noor Azilah M.; Akbari, Aulia; Yamin, Bohari M.","5-Acetyl-4-methyl-2-(2-fluorophenylamino)-1,3-thiazole","Acta Crystallographica Section E","2005","61","10","o3490","o3491","10.1107/S1600536805030278","","","0.71073","MoKα","","0.059","0.053","","","0.129","0.133","","","","","","1.19","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206841","8.0043","0.001","9.5866","0.0013","14.6977","0.0019","90","","96.778","0.002","90","","1119.9","0.3","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2RS,3SR)-Diethyl 2,3-bis(1,3-benzodioxole-5-carbonyl)succinate","","- C24 H22 O10 -","- C24 H22 O10 -","- C48 H44 O20 -","2","0.5","AT6029","Hu, Shengli; She, Neng-Fang; Wu, An-Xin","(2<i>RS</i>,3<i>SR</i>)-Diethyl 2,3-bis(1,3-benzodioxole-5-carbonyl)succinate","Acta Crystallographica Section E","2005","61","10","o3317","o3318","10.1107/S1600536805029144","","","0.71073","MoKα","","0.109","0.06","","","0.15","0.177","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206842","8.3764","0.0003","5.9861","0.0002","10.469","0.0004","90","","110.034","0.0012","90","","493.17","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,5-O-Isopropylidene-2-C-methyl-D-xylonolactone","","- C9 H14 O5 -","- C9 H14 O5 -","- C18 H28 O10 -","2","1","AT6030","David J. Watkin; Loren L. Parry; David J. Hotchkiss; Vanessa Eastwick-Field; George W. J. Fleet","3,5-<i>O</i>-Isopropylidene-2-<i>C</i>-methyl-<small>D</small>-xylonolactone","Acta Crystallographica Section E","2005","61","10","o3302","o3303","10.1107/S1600536805028837","","","0.71073","MoKα","","0.0442","0.0442","","0.0744","0.0744","0.0744","","","","","","0.9378","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206843","5.3676","0.0009","11.4763","0.0019","12.447","0.002","92.505","0.003","91.692","0.003","94.138","0.003","763.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4-Methoxybenzoyl)-N'-(4-methylphenyl)thiourea","","- C16 H16 N2 O2 S -","- C16 H16 N2 O2 S -","- C32 H32 N4 O4 S2 -","2","1","AT6031","Yusof, M. Sukeri M.; Sahali, A. Mardi; Bohari M. Yamin","<i>N</i>-(4-Methoxybenzoyl)-<i>N</i>'-(4-methylphenyl)thiourea","Acta Crystallographica Section E","2005","61","10","o3357","o3358","10.1107/S1600536805029478","","","0.71073","MoKα","","0.046","0.04","","","0.11","0.114","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206844","17.0925","0.0016","10.6353","0.0006","10.6634","0.0009","90","","99.263","0.007","90","","1913.2","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylaminomethylene]-4-[(4- ethylphenyl)diazenyl]-6-methoxycyclohexanone","","- C20 H25 N3 O5 -","- C20 H25 N3 O5 -","- C80 H100 N12 O20 -","4","1","AT6032","Şahin, Onur; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-2-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylaminomethylene]-4-[(4-ethylphenyl)diazenyl]-6-methoxycyclohexanone","Acta Crystallographica Section E","2005","61","10","o3508","o3510","10.1107/S1600536805030916","","","0.71073","MoKα","","0.0854","0.0584","","","0.1595","0.1741","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206845","9.3415","0.0012","10.0584","0.0012","19.976","0.003","90","","92.262","0.002","90","","1875.5","0.4","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-methoxyphenoxy)-3-phenyl-3H-benzo[4,5]furo[3,2-d]pyrimidin-4-one","","- C23 H16 N2 O4 -","- C23 H16 N2 O4 -","- C92 H64 N8 O16 -","4","1","BD6008","Yang-Gen Hu; Gui-Hua Li; Jia-Hua Tian; Ming-Wu Ding; Hong-Wu He","3-(4-Methoxyphenoxy)-2-phenyl-3<i>H</i>-1-benzofuro[3,2-<i>d</i>]pyrimidin-1-one","Acta Crystallographica Section E","2005","61","10","o3266","o3268","10.1107/S1600536805028734","","","0.71073","MoKα","","0.0884","0.0513","","","0.1003","0.1154","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206846","27.92","0.006","7.5547","0.0015","16.712","0.003","90","","105.753","0.004","90","","3392.6","1.2","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[(2-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H- pyrazol-3(2H)-one","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C152 H152 N24 O24 -","8","1","BH6019","Diao, Chun-Hua; Fan, Zhi; Yu, Ming; Chen, Xin; Jing, Zuo-Liang; Deng, Qi-Liang","4-[(2-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","10","o3271","o3272","10.1107/S1600536805027340","","","0.71073","MoKα","","0.0961","0.0466","","","0.1058","0.1278","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206847","7.8338","0.0015","15.095","0.003","13.962","0.003","90","","105.436","0.005","90","","1591.5","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-methyl-5-oxo-4-p-tolyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","BH6021","Yu, Chen-Xia; Shi, Da-Qing; Yao, Chang-Sheng; Wang, Xiang-Shan; Zhuang, Qi-Ya","Methyl 2-methyl-5-oxo-4-<i>p</i>-tolyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2005","61","10","o3224","o3225","10.1107/S1600536805027352","","","0.7107","MoKα","","0.0491","0.0456","","","0.1209","0.1239","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206848","8.8442","0.0009","10.4591","0.0009","13.319","0.001","110.718","0.004","90.895","0.002","105.595","0.002","1101.53","0.17","253","1","","","","","","","","","","7","P -1","-P 1","2","","N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylsulfanyl)-2-hydroxy- 2-methylpropionamide chloroform solvate","","- C19 H15 Cl3 F4 N2 O2 S -","- C19 H15 Cl3 F4 N2 O2 S -","- C38 H30 Cl6 F8 N4 O4 S2 -","2","1","BH6024","Tang, Gu-Ping; Gu, Jian-Ming","<i>N</i>-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylsulfanyl)-2-hydroxy-2-methylpropionamide chloroform solvate","Acta Crystallographica Section E","2005","61","10","o3184","o3186","10.1107/S1600536805027650","","","0.7107","MoKα","","","0.047","","","","0.089","","","","","","0.959","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206849","7.291","0.0009","7.481","0.0009","9.007","0.0013","104.444","0.002","96.971","0.002","102.618","0.002","456.15","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[bis(4-chloromethylpyridine-κN)cobalt(II)]-di-μ- dicyanamido-κN^1^:κN^5^]","","- C16 H12 Cl2 Co N8 -","- C16 H12 Cl2 Co N8 -","- C16 H12 Cl2 Co N8 -","1","0.5","BH6025","Pei, Hong-Xia; Sun, Yu-Xi; Lu, She-Ming; Li, Jian-Min; Wu, Xin-Tao; Du, Wen-Xin","<i>catena</i>-Poly[[bis(4-chloromethylpyridine-κ<i>N</i>)cobalt(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:κ^2^<i>N</i>^5^]","Acta Crystallographica Section E","2005","61","10","m2109","m2111","10.1107/S1600536805027662","","","0.71073","MoKα","","0.0877","0.0683","","","0.1434","0.1599","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206850","10.006","0.0008","22.6236","0.0018","15.8991","0.0013","90","","95.512","0.001","90","","3582.5","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-Hydroxy-3,5-dinitrobenzoato)tris(2-methyl-2-phenylpropyl)tin(IV)","","- C37 H42 N2 O7 Sn -","- C37 H42 N2 O7 Sn -","- C148 H168 N8 O28 Sn4 -","4","1","BH6026","Tian, Lai-Jin; Yu, Hai-Xia; Sun, Yu-Xi; Zhang, Bo","(2-Hydroxy-3,5-dinitrobenzoato)tris(2-methyl-2-phenylpropyl)tin(IV)","Acta Crystallographica Section E","2005","61","10","m2029","m2030","10.1107/S1600536805028904","","","0.71073","MoKα","","0.0617","0.051","","","0.1051","0.1098","","","","","","1.182","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206851","6.914","0.002","7.822","0.002","8.211","0.002","95","0.02","113.74","0.02","99.79","0.02","394.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(acetato)diaquadioxouranium(VI) acetic acid disolvate","","- C8 H18 O12 U -","- C8 H18 O12 U -","- C8 H18 O12 U -","1","0.5","BH6027","Grigoriev, Mikhail S.; Antipin, Mikhail Yu.; Krot, Nikolai N.","Diacetatodiaquadioxouranium(VI) acetic acid disolvate","Acta Crystallographica Section E","2005","61","10","m2078","m2079","10.1107/S1600536805029922","","","0.71073","MoKα","","0.0218","0.0218","","","0.051","0.051","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206852","6.9785","0.0005","18.7982","0.0013","10.0764","0.0007","90","","107.367","0.001","90","","1261.59","0.15","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4,5,5-Tetramethyl-2-thiazol-2-ylimidazolidine-1,3-diol","","- C10 H17 N3 O2 S -","- C10 H17 N3 O2 S -","- C40 H68 N12 O8 S4 -","4","1","BH6030","Jiang, Kai; Chang, Jiu-Li; Wang, Li-Ya; Ma, Lu-Fang; Wang, Yu-Fang","4,4,5,5-Tetramethyl-2-(thiazol-2-yl)imidazolidine-1,3-diol","Acta Crystallographica Section E","2005","61","10","o3430","o3432","10.1107/S1600536805029910","","","0.71073","MoKα","","0.0636","0.0525","","","0.1387","0.1483","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206853","8.8517","0.0007","9.0145","0.0007","13.5956","0.001","90","","101.698","0.002","90","","1062.31","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Formyl thymol oxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","BH6031","Butcher, Ray J.; Bendre, Ratnamala S.; Kuwar, Anil S.","2-Formylthymol oxime","Acta Crystallographica Section E","2005","61","10","o3511","o3513","10.1107/S1600536805029934","","","0.71073","MoKα","","0.0641","0.0455","","","0.1271","0.1371","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206854","12.6956","0.0009","5.1295","0.0004","13.9659","0.001","90","","98.452","0.001","90","","899.61","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(uracil-1-acetato)cadmium(II)","","- C12 H18 Cd N4 O12 -","- C12 H18 Cd N4 O12 -","- C24 H36 Cd2 N8 O24 -","2","0.5","BH6032","Miao, Qian; Mao-Lin Hu","Tetraaquabis(uracil-1-acetato)cadmium(II)","Acta Crystallographica Section E","2005","61","10","m2083","m2085","10.1107/S1600536805029946","","","0.71073","MoKα","","0.0238","0.0223","","","0.0529","0.0537","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206855","7.1969","0.0012","7.8499","0.0013","35.797","0.006","90","","90","","90","","2022.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4'-Isobutoxy-biphenyl-4-carboxylic acid 4-cyano-3-fluoro-phenyl ester","","- C24 H20 F N O3 -","- C24 H20 F N O3 -","- C96 H80 F4 N4 O12 -","4","1","BH6035","Ren, Rui; Li, Qiang; Zhang, Shu-Sheng; Li, Xue-Mei","4-Cyano-3-fluorophenyl 4'-isobutoxybiphenyl-4-carboxylate","Acta Crystallographica Section E","2005","61","10","o3472","o3473","10.1107/S1600536805030138","","","0.71073","MoKα","","0.042","0.0377","","","0.094","0.0972","","","","","","1.139","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206856","27.886","0.003","8.0475","0.0009","16.671","0.002","90","","116.149","0.002","90","","3358.3","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-butyl-4-butylaminonaphthalimide","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C160 H192 N16 O16 -","8","1","BH6036","Banthia, Sandip; Paul, Aniruddha","<i>N</i>-Butyl-4-butylamino-1,8-naphthalimide","Acta Crystallographica Section E","2005","61","10","o3474","o3475","10.1107/S160053680503014X","","","0.71073","MoKα","","0.0552","0.0476","","","0.1207","0.1261","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206857","10.8815","0.0004","11.0081","0.0005","11.7412","0.0007","69.229","0.002","77.892","0.004","68.091","0.002","1215.16","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexa-μ-α-methylacrylato-bis[(1,10-phenanthroline)lanthanum(III)] monohydrate","","- C48 H50 La2 N4 O14 -","- C48 H50 La2 N4 O14 -","- C48 H50 La2 N4 O14 -","1","0.5","BR6212","Yue Zhu; Wei-Min Lu; Meng Ma; Fang Chen","Hexa-μ-α-methylacrylato-bis[(1,10-phenanthroline)lanthanum(III)] dihydrate","Acta Crystallographica Section E","2005","61","10","m2044","m2046","10.1107/S1600536805028928","","","0.71073","MoKα","","0.0412","0.0354","","","0.0965","0.1117","","","","","","1.235","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206858","11.7885","0.0013","11.6149","0.0013","25.301","0.003","90","","94.903","0.002","90","","3451.6","0.7","298","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-3-nitrobenzoato)-1:2κ^2^O:O';3:4κ^2^O:O'-bis(3-nitrobenzoato)- 1κ^2^O,O';3κ^2^O,O'-di-μ~3~-oxo-1:2:4κ^3^O;2:3:4κ^3^O- tetrakis[di-n-butyltin(IV)]","","- C60 H88 N4 O18 Sn4 -","- C60 H88 N4 O18 Sn4 -","- C120 H176 N8 O36 Sn8 -","2","0.5","BR6213","Min Hong; Han-Dong Yin; Da-Qi Wang","Bis(μ-3-nitrobenzoato)-1:2κ^2^<i>O</i>:<i>O</i>';3:4κ^2^<i>O</i>:<i>O</i>'-bis(3-nitrobenzoato)-1κ^2^<i>O</i>,<i>O</i>';3κ^2^<i>O</i>,<i>O</i>'-di-μ~3~-oxo-1:2:4κ^3^<i>O</i>;2:3:4κ^3^<i>O</i>-tetrakis[di-<i>n</i>-butyltin(IV)]","Acta Crystallographica Section E","2005","61","10","m2008","m2010","10.1107/S1600536805028369","","","0.71073","MoKα","","0.0701","0.0386","","","0.0905","0.1137","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206859","7.9649","0.0004","5.6569","0.0003","8.1221","0.0003","90","","91.34","0.003","90","","365.85","0.03","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Hydrazinium nitrate","","- H5 N3 O3 -","- H5 N3 O3 -","- H20 N12 O12 -","4","1","BR6216","Grigoriev, Mikhail S.; Moisy, Philippe; Den Auwer, Christophe; Charushnikova, Iraida A.","Hydrazinium nitrate","Acta Crystallographica Section E","2005","61","10","i216","i217","10.1107/S1600536805029211","","","0.71073","MoKα","","0.0305","0.0281","","","0.07","0.072","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206860","15.6693","0.0017","10.4272","0.0008","17.1803","0.0015","90","","110.503","0.003","90","","2629.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-azido-κ^4^N:N-bis{aqua[2-(2-pyridylmethylideneamino)ethanesulfonate- κ^3^N,N',O]nickel(II)} dihydrate","","- C16 H26 N10 Ni2 O10 S2 -","- C16 H26 N10 Ni2 O10 S2 -","- C64 H104 N40 Ni8 O40 S8 -","4","1","BR6217","Jia-Ming Li; Yi-Min Jiang; Yan-Fei Wang; Da-Wen Liang","Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis{aqua[2-(2-pyridylmethylideneamino)ethanesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]nickel(II)} dihydrate","Acta Crystallographica Section E","2005","61","10","m2160","m2162","10.1107/S1600536805030874","","","0.71073","MoKα","","0.0681","0.054","","","0.1135","0.1211","","","","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206861","36.77","0.007","7.604","0.0015","10.366","0.002","90","","97.82","0.03","90","","2871.4","1","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl N-[1-ferrocenylethylidene]hydrazine carbazate","","- C15 H18 Fe N2 O2 -","- C15 H18 Fe N2 O2 -","- C120 H144 Fe8 N16 O16 -","8","1","BR6218","Yao-Cheng Shi","Ethyl 3-(1-ferrocenylethylidene)carbazate","Acta Crystallographica Section E","2005","61","10","m2136","m2138","10.1107/S1600536805030242","","","0.71073","MoKα","","0.0788","0.0597","","","0.1642","0.1841","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206862","12.2928","0.0004","3.8261","0.0001","14.3291","0.0005","90","","90","","90","","673.95","0.04","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Strontium nitride carbodiimide","Strontium nitride carbodiimide","","- C N4 Sr4 -","- C N4 Sr4 -","- C4 N16 Sr16 -","4","0.5","BR6219","Gál, Zoltán A.; Mallinson, Phillip M.; Clarke, Simon J.","Strontium nitride carbodiimide, Sr~4~N~2~(CN~2~)","Acta Crystallographica Section E","2005","61","10","i221","i222","10.1107/S1600536805030850","","","0.71073","MoKα","","0.0399","0.026","","","0.0462","0.0496","","","","","","1.071","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206863","10.7146","0.0001","23.8939","0.0001","16.8782","0.0003","90","","91.846","0.001","90","","4318.81","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{N,N-Bis[3-(phenylysulfanyl)-1-(phenylsulfonyl)indol-2- ylmethyl]amino}acetaldehyde dimethyl acetal","","- C46 H38 N3 O6 S4 -","- C46 H38 N3 O6 S4 -","- C184 H152 N12 O24 S16 -","4","1","BT6700","M. Yogavel; D. Velmurugan; P. C. Srinivasan; H.-K. Fun","{<i>N</i>,<i>N</i>-Bis[3-(phenylysulfanyl)-1-(phenylsulfonyl)indol-2-ylmethyl]amino}acetaldehyde dimethyl acetal","Acta Crystallographica Section E","2005","61","10","o3205","o3207","10.1107/S160053680502790X","","","0.71073","MoKα","","0.1631","0.0738","","","0.1656","0.2071","","","","","","1.014","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206864","24.0578","0.0012","10.2342","0.0005","18.1597","0.0009","90","","125.861","0.001","90","","3623.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3-Bis(1H-indol-3-yl)indolin-2-one","","- C24 H17 N3 O -","- C24 H17 N3 O -","- C192 H136 N24 O8 -","8","1","BT6707","S. Selvanayagam; Mahesh S. Chandak; D. Velmurugan; K. Ravikumar; R. Raghunathan","3,3-Bis(1<i>H</i>-indol-3-yl)indolin-2-one","Acta Crystallographica Section E","2005","61","10","o3122","o3123","10.1107/S1600536805027248","","","0.71073","MoKα","","0.0576","0.0496","","","0.1284","0.1344","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206865","23.592","0.003","8.3111","0.0006","12.5067","0.0014","90","","105.74","0.009","90","","2360.3","0.4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","O,O-Bis(2-tert-butyl-4-methoxyphenyl) chlorothiophosphonate","","- C22 H30 Cl O4 P S -","- C22 H30 Cl O4 P S -","- C88 H120 Cl4 O16 P4 S4 -","4","0.5","BT6713","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan; Albayrak, Çiğdem","<i>O</i>,<i>O</i>-Bis(2-<i>tert</i>-butyl-4-methoxyphenyl) chlorothiophosphonate. Corrigendum.","Acta Crystallographica Section E","2005","61","10","e4","e5","10.1107/S1600536805027789","","","0.71073","MoKα","","0.0303","0.0278","","","0.0721","0.0731","","","","","","1.077","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206866","22.439","0.006","8.553","0.002","20.576","0.005","90","","90.178","0.004","90","","3948.9","1.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium] carbonyltricyanorhodate(I) acetonitrile solvate","","- C30 H51 K2 N4 O13 Rh -","- C30 H51 K2 N4 O13 Rh -","- C120 H204 K8 N16 O52 Rh4 -","4","1","BT6720","Whaley, Curtis M.; Rauchfuss, Thomas B.; Wilson, Scott R.","Bis[(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium] carbonyltricyanorhodate(I) acetonitrile solvate","Acta Crystallographica Section E","2005","61","10","m1918","m1919","10.1107/S1600536805027297","","","0.71073","MoKα","","0.0621","0.0364","","","0.0736","0.0811","","","","","","1.02","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206867","10.75","0.001","11.839","0.001","18.709","0.002","93.07","0.002","105.927","0.001","103.382","0.002","2210","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-2-(1-butylbenzimidazol-2-yl)phenolato]-κ^2^N^3^,O';κ^2^N^3'^,O- bis{[2-(1-butylbenzimidazol-2-yl)phenolato-κ^2^N^3^,O]zinc(II)} 2-(1-butylbenzimidazol-2-yl)phenol disolvate","","- C102 H104 N12 O6 Zn2 -","- C102 H104 N12 O6 Zn2 -","- C102 H104 N12 O6 Zn2 -","1","0.5","BT6722","Tong, Yi-Ping; Lin, Yan-Wen; Ng, Seik Weng","Bis[μ-2-(1-butylbenzimidazol-2-yl)phenolato]-1κ<i>N</i>^3^:2κ<i>O</i>;1κ<i>O</i>:2κ<i>N</i>^3^-bis{[2-(1-butylbenzimidazol-2-yl)phenolato-κ^2^<i>N</i>^3^,<i>O</i>]zinc(II)} 2-(1-butylbenzimidazol-2-yl)phenol disolvate","Acta Crystallographica Section E","2005","61","10","m1915","m1917","10.1107/S1600536805027418","","","0.71073","MoKα","","0.098","0.068","","","0.172","0.196","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206868","18.8748","0.0018","10.8973","0.001","19.1042","0.0015","90","","109.139","0.005","90","","3712.2","0.6","291","1","291","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","10-(tert-Butyldimethylsilyl)-4,6-bis(diphenylphosphino)phenoxazine","","- C42 H41 N O P2 Si -","- C42 H41 N O P2 Si -","- C168 H164 N4 O4 P8 Si4 -","4","1","BT6724","Osiński, Piotr W.; Schürmann, Markus; Preut, Hans; Haag, Rainer; Eilbracht, Peter","10-(<i>tert</i>-Butyldimethylsilyl)-4,6-bis(diphenylphosphino)phenoxazine","Acta Crystallographica Section E","2005","61","10","o3115","o3116","10.1107/S1600536805027121","","","0.71073","MoKα","","0.1542","0.0373","","","0.0619","0.0793","","","","","","0.988","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206869","6.7467","0.0013","9.1779","0.0018","10.731","0.002","102.95","0.03","103.29","0.03","100.02","0.03","612.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","magnesium pyrazinetetracarboxylate","Bis[hexaquamagnesium(II)] pyrazine-2,3,5,6-tetracarboxylate tetrahydrate","","- C8 H32 Mg2 N2 O24 -","- C8 H32 Mg2 N2 O24 -","- C8 H32 Mg2 N2 O24 -","1","0.5","BT6725","Gryz Michał; Starosta Wojciech; Leciejewicz Janusz","Bis[hexaquamagnesium(II)] pyrazine-2,3,5,6-tetracarboxylate tetrahydrate","Acta Crystallographica Section E","2005","61","10","m1920","m1922","10.1107/S1600536805027406","","","0.71073","MoKα","","0.0583","0.0419","","","0.1271","0.1374","","","","","","1.14","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206870","4.6309","0.0003","5.8963","0.0004","39.939","0.003","90","","90","","90","","1090.54","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{N-[(S)-1-Phenylethyl]carbamoyl}methylaminium chloride","","- C10 H15 Cl N2 O -","- C10 H15 Cl N2 O -","- C40 H60 Cl4 N8 O4 -","4","1","BT6726","Williamson, Craig; Storey, John M. D.; Harrison, William T. A.","{<i>N</i>-[(<i>S</i>)-1-Phenylethyl]carbamoyl}methylaminium chloride","Acta Crystallographica Section E","2005","61","10","o3133","o3135","10.1107/S1600536805027182","","","0.71073","MoKα","","0.0508","0.0417","","","0.1141","0.1274","","","","","","1.143","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206871","4.779","0.0001","11.9257","0.0004","14.6703","0.0003","90","","96.8173","0.0016","90","","830.19","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Bromophenyl)acetamide","","- C8 H8 Br N O -","- C8 H8 Br N O -","- C32 H32 Br4 N4 O4 -","4","1","BT6727","Ronaldson, Vicki; Storey, John. M. D.; Harrison, William T. A.","<i>N</i>-(2-Bromophenyl)acetamide","Acta Crystallographica Section E","2005","61","10","o3156","o3158","10.1107/S1600536805027492","","","0.71073","MoKα","","0.0352","0.0315","","","0.0732","0.0743","","","","","","1.262","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206872","9.674","0.001","11.761","0.001","12.315","0.002","90","","99.285","0.002","90","","1382.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[dimethylammonium aquadi-μ-oxalato-europate(III) trihydrate]","","- C6 H16 Eu N O12 -","- C6 H16 Eu N O12 -","- C24 H64 Eu4 N4 O48 -","4","1","BT6728","Yang, Yang-Yi; Zai, Shao-Bo; Wong, Wing-Tak; Ng, Seik Weng","Poly[dimethylammonium aquadi-μ-oxalato-europate(III) trihydrate]","Acta Crystallographica Section E","2005","61","10","m1912","m1914","10.1107/S1600536805027467","","","0.71073","MoKα","","0.036","0.026","","","0.058","0.062","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206873","22.3933","0.0009","5.6174","0.0002","22.3033","0.0008","90","","90","","90","","2805.58","0.18","183","2","183","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","tetrakis(tert-butylisocyanide)copper(I) chloride monohydrate","","- C20 H38 Cl Cu N4 O -","- C20 H38 Cl Cu N4 O -","- C80 H152 Cl4 Cu4 N16 O4 -","4","0.5","BT6729","Imhof, Wolfgang; Halbauer, Kathi; Görls, Helmar","Tetrakis(<i>tert</i>-butyl isocyanide)copper(I) chloride monohydrate","Acta Crystallographica Section E","2005","61","10","m1995","m1997","10.1107/S1600536805028606","","","0.71073","MoKα","","0.1251","0.0699","","","0.1964","0.231","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2206874","8.832","0.004","9.811","0.004","11.089","0.005","90","","90","","90","","960.9","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethylenediaminium tetrachlorozincate","","- C2 H10 Cl4 N2 Zn -","- C2 H10 Cl4 N2 Zn -","- C8 H40 Cl16 N8 Zn4 -","4","1","BT6730","Harrison, William T. A.","Ethylenediaminium tetrachlorozincate","Acta Crystallographica Section E","2005","61","10","m1951","m1952","10.1107/S1600536805027923","","","0.71073","MoKα","","0.0936","0.084","","","0.1968","0.2093","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206875","4.8701","0.0001","11.8048","0.0004","15.9296","0.0005","90","","93.964","0.002","90","","913.61","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Bromophenyl)propionamide","","- C9 H10 Br N O -","- C9 H10 Br N O -","- C36 H40 Br4 N4 O4 -","4","1","BT6731","Ronaldson, Vicki; Storey, John. M. D.; Harrison, William T. A.","<i>N</i>-(2-Bromophenyl)propionamide","Acta Crystallographica Section E","2005","61","10","o3200","o3202","10.1107/S1600536805027935","","","0.71073","MoKα","","0.034","0.0269","","","0.062","0.0648","","","","","","1.072","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206876","11.9479","0.0008","13.2197","0.0009","13.9479","0.0009","90","","92.327","0.001","90","","2201.2","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-(2-hydroxyethoxy)ethyl]-4-(dibenzo[b,f][1,4]thiazepin-11- yl)piperazinium hemifumarate","","- C46 H54 N6 O8 S2 -","- C46 H54 N6 O8 S2 -","- C92 H108 N12 O16 S4 -","2","0.5","BT6732","K. Ravikumar; B. Sridhar","Quetiapine hemifumarate","Acta Crystallographica Section E","2005","61","10","o3245","o3248","10.1107/S1600536805028357","","","0.71073","MoKα","","0.0606","0.0547","","","0.1322","0.1362","","","","","","1.116","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2206877","8.9279","0.0006","12.1099","0.0009","11.7567","0.0009","90","","95.117","0.001","90","","1266.02","0.16","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isatin 3-benzoylhydrazone","2-oxo-2,3-dihydro-1H-indole-3-carbaldehyde benzoylhydrazone","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","BT6733","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng","Isatin 3-benzoylhydrazone: a monoclinic form","Acta Crystallographica Section E","2005","61","10","o3285","o3286","10.1107/S1600536805028692","","","0.71073","MoKα","","0.069","0.042","","","0.108","0.125","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206878","8.0023","0.0009","28.549","0.003","5.2574","0.0006","90","","90","","90","","1201.1","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","Isatin 3-benzoylhydrazone","2-oxo-2,3-dihydro-1H-indole-3-carbaldehyde benzoylhydrazone","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","BT6734","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng","Isatin 3-benzoylhydrazone: an orthorhombic form","Acta Crystallographica Section E","2005","61","10","o3287","o3288","10.1107/S1600536805028709","","","0.71073","MoKα","","0.079","0.058","","","0.166","0.191","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206879","5.492","0.001","14.098","0.001","18.056","0.001","101.92","0.01","91.52","0.01","100.83","0.01","1340.4","0.3","291.3","0.3","291.3","0.3","","","","","","","","5","P -1","-P 1","2","","4-Phenyl-14,18-dithia-4-phosphatricyclo[18.4.0.0^7,12^]tetracosa-2,5- dien-4-one benzene solvate","","- C30 H30 O P S2 -","- C30 H30 O P S2 -","- C60 H60 O2 P2 S4 -","2","1","BT6735","Wieczorek, Wanda; Trzesowska, Agata; Kruszynski, Rafal","4-Phenyl-14,18-dithia-4-phosphatricyclo[18.4.0.0^7,12^]tetracosa-2,5-dien-4-one benzene hemisolvate","Acta Crystallographica Section E","2005","61","10","o3304","o3306","10.1107/S1600536805029181","","","1.54178","CuKα","","0.0656","0.0622","","","0.1768","0.1822","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206880","8.0887","0.0002","12.875","0.0004","23.8205","0.0008","90","","90","","90","","2480.71","0.13","291","1","291","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Epivernadol diacetate","(4aR,5R,6S,7S,8aS)-methyl 8a-ethenyloctahydro-5-acetoxy-7-{[2-(acetoxymethyl)-1-oxo-2-propenyl]oxy}- α,4-bis(methylene)-3-oxo-1H-2-benzopyran-6-acetate","","- C24 H28 O10 -","- C24 H28 O10 -","- C96 H112 O40 -","4","1","BT6736","Koul, Jawahir L.; Koul, Surrinder; Taneja, Subbash C.; Schürmann, Markus; Preut, Hans; Spiteller, Michael","Epivernadol diacetate","Acta Crystallographica Section E","2005","61","10","o3349","o3350","10.1107/S1600536805029387","","","0.71073","MoKα","","0.105","0.0434","","","0.0984","0.1154","","","","","","0.865","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206881","8.4698","0.0005","9.3359","0.0006","12.6058","0.0008","74.394","0.001","72.025","0.001","79.334","0.001","907.49","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2'-(2-Chlorophenyl)-1'-nitro-2',3',4',5',6',7'-hexahydro-1H-indole-3-spiro- 3'-1'H-pyrrolizin-2(3H)-one","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C40 H36 Cl2 N6 O6 -","2","1","BT6737","G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; R. Raghunathan","2'-(2-Chlorophenyl)-1'-nitro-2',3',4',5',6',7'-hexahydro-1<i>H</i>-indole-3-spiro-3'-1'<i>H</i>-pyrrolizin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","10","o3299","o3301","10.1107/S1600536805028990","","","0.71073","MoKα","","0.0457","0.0423","","","0.1234","0.1275","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206882","23.8981","0.0015","7.5886","0.0004","19.137","0.001","90","","102.941","0.002","90","","3382.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1'-nitro-2'-phenyl-2',3',4',5',6',7'-hexahydro-1H-indole- 3-spiro-3'-1'H-pyrrolizin-2(3H)-one","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C160 H152 N24 O24 -","8","1","BT6738","G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; M. Poornachandran","Hydrogen bonding in 1'-nitro-2'-phenyl-2',3',4',5',6',7'-hexahydro-1<i>H</i>-indole-3-spiro-3'-1'H-pyrrolizidin-2(3<i>H</i>)-one: molecular chains built from alternating R_{2}^{2}(18) and R_{2}^{2}(8) rings","Acta Crystallographica Section E","2005","61","10","o3312","o3314","10.1107/S1600536805029107","","","0.71073","MoKα","","0.0595","0.0532","","","0.1571","0.1641","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206883","7.3325","0.0014","31.43","0.005","6.3749","0.0018","90","","97.35","0.02","90","","1457.1","0.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-carboxyanilinium 5-sulfosalicylate","3-carboxyanilinium 3-carboxy-4-hydroxybenzenesulfonate","","- C14 H13 N O8 S -","- C14 H13 N O8 S -","- C56 H52 N4 O32 S4 -","4","1","BT6739","Graham Smith","3-Carboxyanilinium 3-carboxy-4-hydroxybenzenesulfonate: the 1:1 proton-transfer compound of 5-sulfosalicylic acid with 3-aminobenzoic acid","Acta Crystallographica Section E","2005","61","10","o3398","o3400","10.1107/S1600536805029491","","","0.71069","MoKα","","0.0953","0.0451","","","0.116","0.158","","","","","","0.897","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206884","11.9751","0.0007","13.4815","0.0008","17.2114","0.0011","90","","91.978","0.001","90","","2777","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[Bis(2-methyl-1H-indol-3-yl)methyl]-1-(4-methoxyphenyl)-3-phenylazetidin- 2-one","","- C35 H31 N3 O2 -","- C35 H31 N3 O2 -","- C140 H124 N12 O8 -","4","1","BT6740","S. Selvanayagam; D. Velmurugan; K. Ravikumar; B. Sridhar; E. Ramesh","4-[Bis(2-methyl-1<i>H</i>-indol-3-yl)methyl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one","Acta Crystallographica Section E","2005","61","10","o3386","o3388","10.1107/S1600536805029557","","","0.71073","MoKα","","0.0584","0.0492","","","0.1387","0.1485","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206885","14.25","0.001","10.806","0.001","28.126","0.002","90","","96.374","0.001","90","","4304.2","0.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Racemic 1,1'-bi-2-naphthol dimethylformamide sesquisolvate","","- C24.5 H24.5 N1.5 O3.5 -","- C24.5 H24.5 N1.5 O3.5 -","- C196 H196 N12 O28 -","8","1","BT6743","Yuan, Ji-Xin; Song, Xin-Yuan; Ng, Seik Weng","Racemic 1,1'-bi-2-naphthol dimethylformamide sesquisolvate: a redetermination","Acta Crystallographica Section E","2005","61","10","o3457","o3458","10.1107/S1600536805030369","","","0.71073","MoKα","","0.12","0.099","","","0.23","0.254","","","","","","1.18","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2206886","8.843","0.0005","8.843","","54.486","0.003","90","","90","","90","","4260.7","0.3","295","2","295","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","<i>S</i>-(-)-1,1'-Bi-2-naphthol dimethylformamide sesquisolvate","","- C24.5 H24.5 N1.5 O3.5 -","- C24.5 H24.5 N1.5 O3.5 -","- C196 H196 N12 O28 -","8","1","BT6744","Yuan, Ji-Xin; Song, Xin-Yuan; Ng, Seik Weng","(<i>S</i>)-(‒)-1,1'-Bi-2-naphthol dimethylformamide sesquisolvate","Acta Crystallographica Section E","2005","61","10","o3459","o3460","10.1107/S1600536805030370","","","0.71073","MoKα","","0.0795","0.0762","","","0.1909","0.193","","","","","","1.373","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2206887","5.314","0.0003","5.314","0.0003","15.536","0.0012","90","","90","","90","","438.71","0.05","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Malonamide","Malonamide","","- C3 H6 N2 O2 -","- C3 H6 N2 O2 -","- C12 H24 N8 O8 -","4","0.5","BT6745","Nichol, Gary S.; Clegg, William","Malonamide: a tetragonal polymorph","Acta Crystallographica Section E","2005","61","10","o3424","o3426","10.1107/S1600536805030539","","","0.71073","MoKα","","0.0336","0.0316","","","0.0793","0.0821","","","","","","1.232","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206888","5.3602","0.0009","7.5178","0.0008","11.791","0.002","90","","90","","90","","475.14","0.12","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Malonamide","Malonamide","","- C3 H6 N2 O2 -","- C3 H6 N2 O2 -","- C12 H24 N8 O8 -","4","0.5","BT6746","Nichol, Gary S.; Clegg, William","Malonamide: an orthorhombic polymorph","Acta Crystallographica Section E","2005","61","10","o3427","o3429","10.1107/S1600536805030540","","","0.71073","MoKα","","0.0338","0.0306","","","0.0807","0.0829","","","","","","1.111","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206889","6.925","0.004","7.025","0.004","11.733","0.008","90","","103.44","0.03","90","","555.2","0.6","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S)-3-benzyloxymethyl-1,4-dioxane-2,5-dione","","- C12 H12 O5 -","- C12 H12 O5 -","- C24 H24 O10 -","2","1","BT6747","Kooijman, Huub; Leemhuis, Mark; Nostrum, Cornelus F. van; Hennink, Wim E.; Spek, Anthony L.","(3<i>S</i>)-3-Benzyloxymethyl-1,4-dioxane-2,5-dione","Acta Crystallographica Section E","2005","61","10","o3480","o3481","10.1107/S1600536805030564","","","0.71073","MoKα","","0.0584","0.043","","","0.0943","0.1022","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206890","4.9331","0.0003","26.249","0.0013","10.4901","0.0006","90","","93.093","0.0013","90","","1356.37","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Phthalimidomethyl Phthalonitrile","4-[4-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]phthalonitrile","","- C17 H9 N3 O2 -","- C17 H9 N3 O2 -","- C68 H36 N12 O8 -","4","1","BV6027","Xiu-Zhi Xu; Mei-Jin Lin; Jun-Dong Wang; Nai-Sheng Chen; Jin-Ling Huang","4-[(1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)methyl]phthalonitrile","Acta Crystallographica Section E","2005","61","10","o3145","o3146","10.1107/S1600536805027443","","","0.71069","MoKα","","0.0899","0.0373","","","0.0768","0.1169","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206891","16.9476","0.0006","24.1286","0.0009","10.2457","0.0004","90","","90","","90","","4189.7","0.3","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tris(tetraethylammonium) μ-3-hydroxypropanolato-di-μ-methoxo-bis[tricarbonyltungsten(0)]","","- C35 H73 N3 O10 W2 -","- C35 H71 N3 O10 W2 -","- C140 H284 N12 O40 W8 -","4","0.5","BV6028","Klausmeyer, Kevin K.; Adrian, Rafael A.","Tris(tetraethylammonium) μ-3-hydroxypropanolato-di-μ-methoxo-bis[tricarbonyltungsten(0)]","Acta Crystallographica Section E","2005","61","10","m2039","m2041","10.1107/S1600536805029041","","","0.71073","MoKα","","0.0282","0.0224","","","0.0556","0.0601","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206892","9.925","0.005","14.92","0.007","13.969","0.007","90","","98.97","0.05","90","","2043.2","1.8","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetato-κO)tetrakis(1H-pyrazole-κN^1^)nickel(II)","","- C16 H22 N8 Ni O4 -","- C16 H22 N8 Ni O4 -","- C64 H88 N32 Ni4 O16 -","4","1","BV6029","Blaz̆ena Papánková; Svoboda, Ingrid; Fuess, Hartmut; S̆intálová, Katka","Bis(acetato-κ<i>O</i>)tetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^1^)nickel(II)","Acta Crystallographica, Section E","2005","61","10","m2036","m2038","10.1107/S1600536805029193","","","0.71073","MoKα","","0.0556","0.0422","","","0.1095","0.1178","","","","","","1.031","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206893","9.9492","0.0001","13.6254","0.0002","18.9012","0.0003","90","","116.972","0.001","90","","2283.58","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{[Dimethyl(2-pyridyl)silyl]bis(trimethylsilyl)methyl}diiodoindium(III)","","- C14 H28 I2 In N Si3 -","- C14 H28 I2 In N Si3 -","- C56 H112 I8 In4 N4 Si12 -","4","1","BV6030","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","A monomeric fourfold-coordinated indium dihalide with an unusual coordination geometry","Acta Crystallographica Section E","2005","61","10","m2063","m2065","10.1107/S1600536805029284","","","0.71073","MoKα","","0.0605","0.0411","","","0.0939","0.1041","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206894","5.9691","0.0007","17.795","0.002","9.423","0.0012","90","","105.19","0.002","90","","965.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4,7,10-tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane","","- C16 H32 N8 O4 -","- C16 H32 N8 O4 -","- C32 H64 N16 O8 -","2","0.5","BV6031","Gareth O. Lloyd; Robert C. Luckay","1,4,7,10-Tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane","Acta Crystallographica Section E","2005","61","10","o3405","o3407","10.1107/S1600536805030023","","","0.71073","MoKα","","0.0493","0.0419","","","0.107","0.1114","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206895","6.2357","0.001","10.65","0.0011","20.472","0.002","94.641","0.008","90.978","0.013","93.824","0.011","1351.7","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","trans‒Bis(tert‒butylamine)dichloropalladium(II)","","- C8 H22 Cl2 N2 Pd -","- C8 H22 Cl2 N2 Pd -","- C32 H88 Cl8 N8 Pd4 -","4","2","BV6033","Boag, Neil M.; Clapham, Sarah","<i>trans</i>-Bis(<i>tert</i>-butylamine)dichloropalladium(II)","Acta Crystallographica Section E","2005","61","10","m2172","m2173","10.1107/S1600536805030047","","","0.71073","MoKα","","0.04","0.0384","","","0.0968","0.0976","","","","","","1.234","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206896","11.09","0.002","7.4421","0.0015","17.734","0.004","90","","97.693","0.003","90","","1450.5","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-((1H-1,2,4-triazol-1-yl)methyl)-4-(4-chlorobenzylideneamino)-2H -1,2,4-triazole-3(4H)-thione","","- C12 H10 Cl N7 S -","- C12 H10 Cl N7 S -","- C48 H40 Cl4 N28 S4 -","4","1","BV6035","Xu, Liang-Zhong; Yu, Guan-Ping; Si, Guo-Dong; Shang, Yu-Qing; Li, Wei-Hua; Hou, Bao-Rong","4-(4-Chlorobenzylideneamino)-3-(1<i>H</i>-1,2,4-triazol-1-ylmethyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","10","o3408","o3409","10.1107/S1600536805030059","","","0.71073","MoKα","","0.0799","0.0408","","","0.093","0.1127","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206897","7.9651","0.0014","6.4632","0.0012","15.445","0.003","90","","90.136","0.003","90","","795.1","0.3","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(1S*,2S*,4S*)-3,3-Difluoro-2,4-dihydroxy-5,5-dimethylcyclooct-5(Z)-en-1-yl N,N-diethylcarbamate","","- C15 H25 F2 N O4 -","- C15 H25 F2 N O4 -","- C30 H50 F4 N2 O8 -","2","1","CF6442","John Fawcett; Jonathan M Percy; Stéphane Pintat; Clive A Smith; Emi Uneyama","(1<i>S</i>*,2<i>S</i>*,4<i>S</i>*)-3,3-Difluoro-2,4-dihydroxy-5,5-dimethylcyclooct-5(<i>Z</i>)-en-1-yl <i>N</i>,<i>N</i>-diethylcarbamate","Acta Crystallographica Section E","2005","61","10","o3319","o3321","10.1107/S1600536805024839","","","0.71073","MoKα","","0.0841","0.0817","","","0.2291","0.2304","","","","","","1.13","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206898","20.062","0.014","6.433","0.004","12.424","0.009","90","","97.346","0.012","90","","1590.3","1.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1R*,3S*,8S*)-2,2-Difluoro-3,8-dihydroxy-5,5-dimethylcyclooct-4(Z)-en-1-yl N,N-diethylcarbamate","","- C15 H25 F2 N O4 -","- C15 H25 F2 N O4 -","- C60 H100 F8 N4 O16 -","4","1","CF6443","John Fawcett; Jonathan M Percy; Stéphane Pintat; Clive A Smith; Emi Uneyama","(1<i>R</i>*,3<i>S</i>*,8<i>S</i>*)-2,2-Difluoro-3,8-dihydroxy-5,5-dimethylcyclooct-4(<i>Z</i>)-en-1-yl <i>N</i>,<i>N</i>-diethylcarbamate","Acta Crystallographica Section E","2005","61","10","o3322","o3323","10.1107/S1600536805024840","","","0.71073","MoKα","","0.0457","0.0386","","","0.0916","0.0953","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206899","13.232","0.002","11.6546","0.0018","12.293","0.002","90","","92.881","0.003","90","","1893.4","0.5","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Ferrocenyl-1-(1-indenyl)cyclohexane","","- C25 H26 Fe -","- C25 H26 Fe -","- C100 H104 Fe4 -","4","1","CF6450","Lin, Jin; Xu, Shan-Sheng; Song, Hai-Bin","1-Ferrocenyl-1-(1-indenyl)cyclohexane","Acta Crystallographica Section E","2005","61","10","m1968","m1969","10.1107/S1600536805028308","","","0.71073","MoKα","","0.0846","0.0436","","","0.103","0.121","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206900","8.413","0.002","6.167","0.002","30.683","0.006","90","","93.04","0.03","90","","1589.7","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{1-[2-(Dimethylamino)ethyliminomethyl]-2-naphthalato}thiocyanatonickel(II)","","- C16 H17 N3 Ni O S -","- C16 H17 N3 Ni O S -","- C64 H68 N12 Ni4 O4 S4 -","4","1","CF6451","You, Zhong-Lu","{1-[2-(Dimethylamino)ethyliminomethyl]-2-naphtholato}thiocyanatonickel(II)","Acta Crystallographica Section E","2005","61","10","m1963","m1964","10.1107/S1600536805028175","","","0.71073","MoKα","","0.1219","0.0619","","","0.1271","0.1514","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206901","4.9315","0.0003","14.6161","0.001","15.5026","0.0011","90","","93.928","0.002","90","","1114.79","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichlorobis(cyanoguanidine)zinc(II)","","- C4 H8 Cl2 N8 Zn -","- C4 H8 Cl2 N8 Zn -","- C16 H32 Cl8 N32 Zn4 -","4","1","CF6454","Fowkes, Adrian; Harrison, William T. A.","A monoclinic polymorph of dichlorobis(cyanoguanidine)zinc(II)","Acta Crystallographica Section E","2005","61","10","m2021","m2022","10.1107/S1600536805028916","","","0.71073","MoKα","","0.0666","0.0353","","","0.0692","0.0768","","","","","","0.908","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206902","47.7051","0.0005","7.627","0.0001","33.12","0.0005","90","","124.125","0.0006","90","","9975.7","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3-dimethyl-1,1,1,5,5,5-hexaphenyltrisiloxane","","- C38 H36 O2 Si3 -","- C38 H36 O2 Si3 -","- C456 H432 O24 Si36 -","12","1.5","CF6456","Spek, Anthony L.; Ellis, Dianne D.; Hanssen, Rob W. J. M.; van Santen, Rutger A.; Abbenhuis, Hendricus C. L.","3,3-Dimethyl-1,1,1,5,5,5-hexaphenyltrisiloxane","Acta Crystallographica Section E","2005","61","10","o3324","o3326","10.1107/S1600536805029405","","","0.71073","MoKα","","0.0893","0.047","","","0.0985","0.1119","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206903","14.458","0.003","21.356","0.004","9.874","0.002","90","","90","","90","","3048.7","1.1","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","cryptotanshinone","1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione","","- C19 H20 O3 -","- C19 H20 O3 -","- C152 H160 O24 -","8","2","CI6603","Zhang, Lei; Wang, Jingkang; Qu, Yi","1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-<i>b</i>]furan-10,11-dione","Acta Crystallographica Section E","2005","61","10","o3127","o3128","10.1107/S1600536805027303","","","0.71073","MoKα","","0.0761","0.0466","","","0.12","0.1315","","","","","","0.906","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206904","16.7345","0.0006","16.7345","0.0006","8.7634","0.0006","90","","90","","90","","2454.1","0.2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Chloro{2-[tris(hydroxymethyl)methyliminomethyl]phenolato}copper(II)","","- C11 H14 Cl Cu N O4 -","- C11 H14 Cl Cu N O4 -","- C88 H112 Cl8 Cu8 N8 O32 -","8","1","CI6617","Ni, Jia; Chen, Yao-Wen; Zhang, Haidan","Chloro{2-[tris(hydroxymethyl)methyliminomethyl]phenolato}copper(II)","Acta Crystallographica Section E","2005","61","10","m2093","m2094","10.1107/S1600536805025626","","","0.71073","MoKα","","0.0408","0.0346","","","0.0735","0.0774","","","","","","1.008","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206905","11.8884","0.0006","13.3784","0.0007","15.7892","0.0008","114.054","0.001","98.926","0.001","101.335","0.001","2169.42","0.19","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Chlorophenyl)-5-methyl-2-propylamino-8,9,10,11-tetrahydro- 2-benzothieno[2'3';2,3]pyrido[4,5-d]pyrimidin-4(3H)-one","","- C23 H23 Cl N4 O S -","- C23 H23 Cl N4 O S -","- C92 H92 Cl4 N16 O4 S4 -","4","2","CI6618","Liu, Jian-Chao; Chen, He-Lian; Chen, Ting; He, Hong-Wu; Ding, Ming-Wu","3-(4-Chlorophenyl)-5-methyl-2-propylamino-8,9,10,11-tetrahydro-2-benzothieno[2',3';2,3]pyrido[4,5-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","10","o3187","o3189","10.1107/S1600536805027595","","","0.71073","MoKα","","0.0834","0.0525","","","0.1343","0.1562","","","","","","1.032","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206906","11.144","0.0008","11.163","0.0007","15.769","0.0014","75.782","0.005","77.534","0.007","73.395","0.005","1799.7","0.2","122","2","122","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 5-bromo-4,7-dimethoxyindan-2,2-dicarboxylate","","- C17 H21 Br O6 -","- C17 H21 Br O6 -","- C68 H84 Br4 O24 -","4","2","CI6633","Peter Hammershøj; Jørn B. Christensen","Diethyl 5-bromo-4,7-dimethoxyindan-2,2-dicarboxylate","Acta Crystallographica Section E","2005","61","10","o3278","o3280","10.1107/S1600536805028321","","","0.71073","MoKα","","0.048","0.0342","","","0.0746","0.0814","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206907","16.569","0.001","8.033","0.001","24.643","0.003","90","","90.232","0.007","90","","3279.9","0.6","122","2","122","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,7-Dimethoxy-indan-2,2-dicarboxylic acid diethyl ester","4,7-Dimethoxy-indan-2,2-dicarboxylic acid diethyl ester","","- C17 H22 O6 -","- C17 H22 O6 -","- C136 H176 O48 -","8","2","CI6634","Peter Hammershøj; Jørn B. Christensen","Diethyl 4,7-dimethoxyindan-2,2-dicarboxylate","Acta Crystallographica Section E","2005","61","10","o3468","o3469","10.1107/S1600536805030217","","","0.71073","MoKα","","0.1238","0.0611","","","0.119","0.1487","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206908","11.179","0.001","7.431","0.001","23.683","0.002","90","","92.53","0.01","90","","1965.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{1-[3-(cyclohexylamino)propyliminomethyl]-2-naphtholato}nickel(II) dichloride 1.24 hydrate","","- C40 H54.48 Cl2 N4 Ni O3.24 -","- C40 H54.48 Cl2 N4 Ni O3.24 -","- C80 H108.96 Cl4 N8 Ni2 O6.48 -","2","0.5","CI6637","Wang, Feng-Wu","Bis{1-[3-(cyclohexylaminio)propyliminomethyl]-2-naphtholato}nickel(II) dichloride 1.24-hydrate","Acta Crystallographica Section E","2005","61","10","m1998","m2000","10.1107/S160053680502862X","","","0.71073","MoKα","","0.0569","0.0433","","","0.1051","0.1135","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206909","20.802","0.007","7.861","0.003","24.488","0.006","90","","116.72","0.02","90","","3577","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthrolinium‒6-carboxypyridine-2-carboxylate‒1,10- phenanthroline‒pyridine-2,6-dicarboxylic acid‒ethanol‒water (1/1/1/1/1/1)","","- C40 H34 N6 O10 -","- C40 H34 N6 O10 -","- C160 H136 N24 O40 -","4","1","CI6638","Ai-Yun Fu; Da-Qi Wang; Cun-Lan Zhang","1,10-Phenanthrolinium‒6-carboxypyridine-2-carboxylate‒1,10-phenanthroline‒pyridine-2,6-dicarboxylic acid‒ethanol‒water (1/1/1/1/1/1)","Acta Crystallographica Section E","2005","61","10","o3119","o3121","10.1107/S1600536805027236","","","0.71073","MoKα","","0.1987","0.06","","","0.1039","0.141","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206910","7.9337","0.0008","13.0996","0.0013","13.9361","0.0014","78.913","0.002","79.686","0.002","74.259","0.002","1355.6","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2,6-dicyclohexyl-4,8-dioxo-22,3,6,7-tetrahydro-1H,5H-2,3a,4a,6,7a,8a- hexaazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C26 H40 N6 O6 -","- C26 H40 N6 O6 -","- C52 H80 N12 O12 -","2","1","CI6643","Li, Yi-Tao; Zhao, BaoHan; Yin, Guo-Dong; Wu, An-Xin","Diethyl 2,6-dicyclohexyl-4,8-dioxo-2,2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2005","61","10","o3368","o3370","10.1107/S160053680502948X","","","0.71073","MoKα","","0.0953","0.0653","","","0.1662","0.1879","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206911","7.4709","0.0009","11.6988","0.0014","12.3883","0.0015","96.299","0.002","101.097","0.002","106.844","0.002","1001","0.2","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","2-(Methoxycarbonyl)anilinium chloride monohydrate","","- C8 H12 Cl N O3 -","- C8 H12 Cl N O3 -","- C32 H48 Cl4 N4 O12 -","4","2","CI6646","Ma, Ying-Ying; Yu, Yan; Wu, Yong-Fei; Xiao, Feng-Ping; Jin, Long-Fei","2-(Methoxycarbonyl)anilinium chloride monohydrate","Acta Crystallographica Section E","2005","61","10","o3497","o3499","10.1107/S1600536805030771","","","0.71073","MoKα","","0.045","0.0406","","","0.1218","0.1283","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206912","6.218","0.0016","24.893","0.006","10.02","0.003","90","","100.65","0.004","90","","1524.2","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2-Benzotriazol-1-ylethyl)[2-(benzotriazol-2-yl)ethyl]amine","","- C16 H17 N7 -","- C16 H17 N7 -","- C64 H68 N28 -","4","1","CI6647","Zhang, Yong; Liao, Zhan-Ru; Li, Dong-Fen; Meng, Xiang-Gao","[2-(Benzotriazol-1-yl)ethyl][2-(benzotriazol-2-yl)ethyl]amine","Acta Crystallographica Section E","2005","61","10","o3396","o3397","10.1107/S1600536805029685","","","0.71073","MoKα","","0.0708","0.0588","","","0.157","0.167","","","","","","1.044","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206913","9.7048","0.0002","28.9048","0.0005","13.492","0.0002","90","","127.77","0.001","90","","2991.72","0.1","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dihydroxydimethoxydihydrochalcone","1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one","","- C17 H18 O5 -","- C17 H18 O5 -","- C136 H144 O40 -","8","2","CI6648","Ng Shea-Lin; Ibrahim Abdul Razak; Hoong-Kun Fun; Sompong Boonsri; Suchada Chantrapromma; Uma Prawat","A second monoclinic polymorph of 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one","Acta Crystallographica Section E","2005","61","10","o3234","o3236","10.1107/S1600536805028291","","","0.71073","MoKα","","0.1158","0.0538","","","0.1276","0.1558","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206914","13.0931","0.0005","13.5932","0.0006","15.6098","0.0006","90","","90","","90","","2778.19","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Physalin H","(5R,6S,8S,9R,14R,15R,17R,18S,21S,24R,26S,27R)-5α-Chloro- 16,24-cyclo-13,14-secoergosta-2-ene-18,26-dioic acid-14:17,14:27-diepoxy- 6β,13,20,22-tetrahydroxy-1,15-dioxo-γ-lactone δ-lactone 5α-chloro methanol solvate monohydrate","","- C29 H37 Cl O12 -","- C29 H37 Cl O12 -","- C116 H148 Cl4 O48 -","4","1","CI6649","Sammer Yousuf; M. Iqbal Choudhary; Atta-ur-Rahman; Shazia Anjum; Hoong-Kun Fun; Shamsher Ali","(5<i>R</i>,6<i>S</i>,8<i>S</i>,9<i>R</i>,14<i>R</i>,15<i>R</i>,17<i>R</i>,18<i>S</i>,21<i>S</i>,24<i>R</i>,26<i>S</i>,27<i>R</i>)-5α-Chloro-16,24-cyclo-13,14-secoergost-2-ene-18,26-dioic acid-14:17,14:27-diepoxy-6β,13,20,22-tetrahydroxy-1,15-dioxo-γ-lactone δ-lactone methanol solvate monohydrate","Acta Crystallographica Section E","2005","61","10","o3523","o3525","10.1107/S1600536805030011","","","0.71073","MoKα","","0.0359","0.0348","","","0.0937","0.0949","","","","","","0.847","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206915","6.2777","0.0016","34.562","0.009","9.321","0.002","90","","90.443","0.004","90","","2022.3","0.9","294","2","294","2","","","","","","","","3","C 1 c 1","C -2yc","9","","1-Ferrocenyl-1-(1H-indenyl)cycloheptane","","- C26 H28 Fe -","- C26 H28 Fe -","- C104 H112 Fe4 -","4","1","CI6650","Lin, Jin; Xu, Shan-Sheng; Song, Hai-Bin","1-Ferrocenyl-1-(1<i>H</i>-indenyl)cycloheptane","Acta Crystallographica Section E","2005","61","10","m2050","m2051","10.1107/S1600536805029302","","","0.71073","MoKα","","0.0498","0.036","","","0.0734","0.0797","","","","","","0.996","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206916","8.3222","0.0012","13.3871","0.0018","15.977","0.002","90","","90","","90","","1780","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl3 N4 Zn -","- C15 H15 Cl3 N4 Zn -","- C60 H60 Cl12 N16 Zn4 -","4","1","CI6651","Wan, Xiang-Jian; Xu, Feng-Bo; Li, Qing-Shan; Song, Hai-Bin; Zhang, Zheng-Zhi","Trichloro[1,3-bis(2-pyridylmethyl)imidazolium]zinc(II)","Acta Crystallographica Section E","2005","61","10","m2174","m2175","10.1107/S1600536805029971","","","0.71073","MoKα","","0.0668","0.0366","","","0.0551","0.0623","","","","","","0.985","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206917","23.27","0.002","4.7","0.0002","18.96","0.0019","90","","119.44","0.003","90","","1805.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","0.5","CI6652","Dai, Yu-Mei; Shen, Hui-Ying; Huang, Jin-Feng","Terephthalic acid‒1,3-di-4-pyridylpropane (1/1)","Acta Crystallographica Section E","2005","61","10","o3410","o3411","10.1107/S160053680502996X","","","0.71073","MoKα","","","0.0427","","","0.1137","0.1196","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206918","6.9215","0.0013","7.7539","0.0016","15.797","0.003","90","","91.858","0.003","90","","847.4","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-N-n-propyl-2-(2'-nitro benzenesulphonyl)glutamine","","- C14 H19 N3 O7 S -","- C14 H19 N3 O7 S -","- C28 H38 N6 O14 S2 -","2","1","CI6653","Xiao, Yong-Jun; Wang, Jian-Guo; Li, Zheng-Ming; Song, Hai-Bin","<i>N</i>^2^-(2-Nitrophenylsulfonyl)-<i>N</i>^5^-<i>n</i>-propylglutamine","Acta Crystallographica Section E","2005","61","10","o3461","o3463","10.1107/S1600536805030114","","","0.71073","MoKα","","0.0347","0.0287","","","0.0645","0.0685","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206919","7.9912","0.0016","8.8615","0.0018","10.399","0.002","81.37","0.03","71.64","0.03","72.01","0.03","663.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-nitrato-κ^4^O:O'-bis[bis(3-hydroxypyridine-κN)silver(I)] dihydrate","","- C10 H12 Ag N3 O6 -","- C10 H12 Ag N3 O6 -","- C20 H24 Ag2 N6 O12 -","2","1","CI6654","Lu, Zhen-Zhong; Gao, Shan; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Di-μ-nitrato-κ^4^<i>O</i>:<i>O</i>'-bis[bis(3-hydroxypyridine-κ<i>N</i>)silver(I)] dihydrate","Acta Crystallographica Section E","2005","61","10","m2151","m2153","10.1107/S1600536805030710","","","0.71073","MoKα","","0.0352","0.0268","","","0.0646","0.0678","","","","","","1.035","","","","has coordinates,has Fobs","198783","2020-10-21","18:00:00",""
"2206920","18.301","0.002","12.1788","0.0015","10.8967","0.0014","90","","93.001","0.002","90","","2425.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methoxycarbonyl succinanilic acid","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C96 H104 N8 O40 -","8","1","CI6655","Shazia Anjum; M. Iqbal Choudhary; Shamsher Ali; Hoong-Kun Fun; Atta-ur-Rahman","2-(Methoxycarbonyl)succinanilic acid","Acta Crystallographica Section E","2005","61","10","o3520","o3522","10.1107/S1600536805029703","","","0.71073","MoKα","","0.0458","0.0419","","","0.1087","0.1129","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206921","16.0863","0.001","11.005","0.0007","16.5816","0.0011","90","","111.981","0.001","90","","2722.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N,N'N'-Tetraphenyl-2,2'-(o-phenylenedioxy)diacetamide","","- C34 H28 N2 O4 -","- C34 H28 N2 O4 -","- C136 H112 N8 O16 -","4","0.5","CI6656","Yong-Hong Wen; Mao-Jie Li; Shu-Sheng Zhang; Xue-Mei Li","<i>N</i>,<i>N</i>,<i>N</i>'<i>N</i>'-Tetraphenyl-2,2'-(<i>o</i>-phenylenedioxy)diacetamide","Acta Crystallographica Section E","2005","61","10","o3373","o3374","10.1107/S1600536805029697","","","0.71073","MoKα","","0.0493","0.0419","","","0.1005","0.1055","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206922","8.605","0.005","8.981","0.005","9.974","0.005","107.615","0.005","103.543","0.005","94.952","0.005","703.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(Z)-ethyl 4-chloro-2-(2-(2-methoxyphenyl)hydrazono)-3-oxobutanoate","","- C13 H15 Cl N2 O4 -","- C13 H15 Cl N2 O4 -","- C26 H30 Cl2 N4 O8 -","2","1","CI6657","Alpaslan, Gökhan; Özdamar, Özgür; Odabaşoglu, Mustafa; Ersanlı, Cem Cüneyt; Erdönmez, Ahmet; Ocak Ískeleli, Nazan","(<i>Z</i>)-Ethyl 4-chloro-2-[2-(2-methoxyphenyl)hydrazono]-3-oxobutanoate","Acta Crystallographica Section E","2005","61","10","o3442","o3444","10.1107/S1600536805030163","","","0.71069","MoKα","","0.062","0.04","","","0.107","0.117","","","","","","1.03","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2206923","19.313","0.008","7.007","0.004","20.998","0.004","90","0.03","107.5","0.02","90","0.05","2710","2","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3,6-Bis(p-chlorophenyl)-1,4-bis(p-tolylsulfonyl)-1,4-dihydro-1,2,4,5-tetrazine","","- C28 H22 Cl2 N4 O4 S2 -","- C28 H22 Cl2 N4 O4 S2 -","- C112 H88 Cl8 N16 O16 S8 -","4","0.5","CV6561","Wei-Xiao Hu; Lu-Ping Lv; Feng Xu; Hai-Bo Shi","3,6-Bis(<i>p</i>-chlorophenyl)-1,4-bis(<i>p</i>-tolylsulfonyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section E","2005","61","10","o3152","o3153","10.1107/S1600536805027510","","","0.71073","MoKα","","0.0577","0.036","","","0.0938","0.105","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206924","9.8529","0.0007","5.4011","0.0004","21.9132","0.0014","90","","103.233","0.003","90","","1135.18","0.14","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Nitrophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C44 H40 N16 O12 -","4","1","CV6563","Jun Wan; Chun-Li Li; Xue-Mei Li; Shu-Sheng Zhang; Ping-Kai Ouyang","1-(4-Nitrophenyl)-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one","Acta Crystallographica Section E","2005","61","10","o3394","o3395","10.1107/S1600536805028552","","","0.71073","MoKα","","0.0458","0.0409","","","0.1111","0.1157","","","","","","1.032","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206925","14.6209","0.0013","9.5899","0.0009","17.9541","0.0016","90","","107.701","0.002","90","","2398.2","0.4","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-{2,3-diphenyl-6-[(Z)-phenylmethylidene]- 2-azabicyclo[2.2.2]oct-5-ylidene}-aniline","","- C32 H28 N2 -","- C32 H28 N2 -","- C128 H112 N8 -","4","1","CV6565","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","<i>N</i>-{6-[(<i>Z</i>)-Benzylidene]-2,3-diphenyl-2-azabicyclo[2.2.2]octan-5-ylidene}aniline","Acta Crystallographica Section E","2005","61","10","o3273","o3275","10.1107/S1600536805028849","","","0.71073","MoKα","","0.0654","0.0494","","","0.1242","0.1342","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206926","11.48349","0.00005","14.3208","0.00006","7.92477","0.00003","90","","90","","90","","1303.25","0.009","298","","298","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","disodium rhodizonate","Disodium 1,2,3,4-tetraoxo-5-cyclohexene-5,6-diolate","","- C6 Na2 O6 -","- C6 Na2 O6 -","- C48 Na16 O48 -","8","0.25","CV6566","Dinnebier, Robert E.; Nuss, Hanne; Jansen, Martin","Disodium rhodizonate: a powder diffraction study","Acta Crystallographica Section E","2005","61","10","m2148","m2150","10.1107/S1600536805030552","","","0.400094","","","","","","","","","","","1.3","","","","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206927","13.9126","0.0006","6.4708","0.0002","14.4664","0.0007","90","","103.134","0.002","90","","1268.28","0.09","293","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-Thiodibenzoic acid","","- C14 H10 O4 S -","- C14 H10 O4 S -","- C56 H40 O16 S4 -","4","1","CV6569","Yu-Mei Dai; Jin-Feng Huang; Hui-Ying Shen","2,2'-Thiodibenzoic acid","Acta Crystallographica Section E","2005","61","10","o3182","o3183","10.1107/S1600536805027820","","","0.71073","MoKα","","","0.0772","","","0.1453","0.1493","","","","","","1.332","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206928","8.8833","0.0007","9.8725","0.0008","9.9162","0.0008","103.055","0.002","110.397","0.002","97.351","0.002","773.45","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-bromo-bis{bromo[N-(8-quinolyl)-o-phenylenediamine- κ^3^N,N',N'']manganese(II)}","","- C30 H26 Br4 Mn2 N6 -","- C30 H26 Br4 Mn2 N6 -","- C30 H26 Br4 Mn2 N6 -","1","0.5","CV6571","Seewald, Oliver; Flörke, Ulrich; Henkel, Gerald","Di-μ-bromo-bis{bromo[<i>N</i>-(8-quinolyl)-<i>o</i>-phenylenediamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']manganese(II)}","Acta Crystallographica Section E","2005","61","10","m1948","m1950","10.1107/S1600536805027716","","","0.71073","MoKα","","0.0456","0.0333","","","0.0664","0.0705","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206929","8.6216","0.0005","10.3055","0.0006","11.7758","0.0006","79.462","0.001","79.377","0.001","68.876","0.001","951.48","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 11,2,3,3a-5a-hydroxy-1-methyl-10-oxo-4-phenyl 10H-indeno[1,2-b]furo[3,4-b]pyrrole-3a-carboxylate","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C44 H42 N2 O10 -","2","1","CV6572","S. Selvanayagam; Anju Joy; D. Velmurugan; K. Ravikumar; R. Raghunathan","Methyl 11,2,3,3a-5a-hydroxy-1-methyl-10-oxo-4-phenyl 10<i>H</i>-indeno[1,2-<i>b</i>]furo[3,4-<i>b</i>]pyrrole-3a-carboxylate","Acta Crystallographica Section E","2005","61","10","o3383","o3385","10.1107/S1600536805029570","","","0.71073","MoKα","","0.048","0.0435","","","0.1263","0.1312","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206930","8.7035","0.0007","9.7426","0.0008","14.5212","0.0009","70.652","0.004","89.493","0.001","77.484","0.003","1131.52","0.15","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","6,7-Dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine diethanol solvate","","- C21 H26 F3 N3 O4 -","- C21 H26 F3 N3 O4 -","- C42 H52 F6 N6 O8 -","2","1","CV6573","Xia, Min","6,7-Dimethoxy-<i>N</i>-[3-(trifluoromethyl)phenyl]quinazolin-4-amine ethanol disolvate","Acta Crystallographica Section E","2005","61","10","o3380","o3382","10.1107/S1600536805029521","","","0.71069","MoKα","","0.0749","0.0632","","","0.1711","0.1858","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206931","5.6858","0.0012","10.018","0.002","13.902","0.003","90","","109.841","0.004","90","","744.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(3-hydroxy-4-methoxybenzylidene)hydrazine","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","0.5","CV6575","Duan, Xue-Min; Zheng, Peng-Wu; Wang, Wei","<i>N</i>,<i>N</i>'-Bis(3-hydroxy-4-methoxybenzylidene)hydrazine","Acta Crystallographica Section E","2005","61","10","o3449","o3451","10.1107/S1600536805030205","","","0.71073","MoKα","","0.059","0.0368","","","0.0893","0.1028","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206932","7.1737","0.001","8.2486","0.0012","12.1873","0.0017","91.418","0.002","106.157","0.002","99.4","0.002","681.5","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4-Chlorophenyl)-N'-(4-nitrobenzoyl)urea","","- C14 H10 Cl N3 O4 -","- C14 H10 Cl N3 O4 -","- C28 H20 Cl2 N6 O8 -","2","1","CV6577","Su, Bi-Quan","<i>N</i>-(4-Chlorophenyl)-<i>N</i>'-(4-nitrobenzoyl)urea","Acta Crystallographica Section E","2005","61","10","o3492","o3494","10.1107/S160053680503076X","","","0.71073","MoKα","","0.0411","0.0326","","","0.0843","0.0884","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206933","24.438","0.002","11.2315","0.001","13.8799","0.0012","90","","96.969","0.001","90","","3781.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-Adipato-κ^4^O,O':O'',O'''-bis[aqua(2,9-dimethyl-1,10-phenanthroline- κ^2^N,N)nitratocadmium(II)] dihydrate","","- C34 H40 Cd2 N6 O14 -","- C34 H40 Cd2 N6 O14 -","- C136 H160 Cd8 N24 O56 -","4","0.5","CV6578","Cai-Feng Ding; Mei Zhu; Xue-Mei Li; Ping-Kai Ouyang; Shu-Sheng Zhang","μ-Adipato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''-bis[aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)nitratocadmium(II)] dihydrate","Acta Crystallographica Section E","2005","61","10","m2058","m2059","10.1107/S1600536805029533","","","0.71073","MoKα","","0.0301","0.0267","","","0.0661","0.0681","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206934","7.3814","0.0008","26.18","0.003","12.6488","0.0014","90","","105.739","0.002","90","","2352.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-bromobenzyl)pyridinium bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')platinate(III)","","- C20 H11 Br N5 Pt S4 -","- C20 H11 Br N5 Pt S4 -","- C80 H44 Br4 N20 Pt4 S16 -","4","1","CV6579","Y.-C. Chen; X.-M. Ren","β-Phase of 1-(4-bromobenzyl)pyridinium bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')platinate(III)","Acta Crystallographica Section E","2005","61","10","m2176","m2178","10.1107/S1600536805030849","","","0.71073","MoKα","","0.1077","0.0592","","","0.1238","0.1375","","","","","","0.924","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206935","18.296","0.004","18.296","0.004","15.728","0.003","90","","90","","90","","5264.8","1.9","298","2","298","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","Bis(benzimidazol-2-yl)methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","1","CV6580","Gui-Yun Duan; Ya-Wei Sun; Jun-Zhi Liu; Jian-Wu Wang","Bis(benzimidazol-2-yl)methane","Acta Crystallographica Section E","2005","61","10","o3476","o3477","10.1107/S1600536805030229","","","0.71073","MoKα","","0.0555","0.0416","","","0.1159","0.1303","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206936","7.313","0.0013","25.231","0.004","8.4269","0.0015","90","","97.217","0.003","90","","1542.6","0.5","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(5-((1H-1,2,4-triazol-1-yl)methyl)-1,3,4-oxadiazol-2-ylthio)-1 -(2,4-dichlorophenyl)ethanone","","- C13 H9 Cl2 N5 O2 S -","- C13 H9 Cl2 N5 O2 S -","- C52 H36 Cl8 N20 O8 S4 -","4","1","CV6581","Xu, Liang-Zhong; Yu, Guan-Ping; Yin, Shu-Mei; Zhou, Kai; Yang, Shuang-Hua","2-{5-[(1<i>H</i>-1,2,4-Triazol-1-yl)methyl]-1,3,4-oxadiazol-2-ylthio}-1-(2,4-dichlorophenyl)ethanone","Acta Crystallographica Section E","2005","61","10","o3375","o3376","10.1107/S1600536805029806","","","0.71073","MoKα","","0.0705","0.0399","","","0.0845","0.0968","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206937","12.0798","0.0012","8.55","0.0006","21.424","0.002","90","","90.07","0.009","90","","2212.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 1-{4-[4,5-bis(methoxycarbonyl)-1,2,3-triazol-1- ylmethylcarbonyl]phenyl}-1H-pyrazole-3,4-dicarboxylate","","- C21 H19 N5 O9 -","- C21 H19 N5 O9 -","- C84 H76 N20 O36 -","4","1","CV6582","Sundar, T. V.; Parthasarathi, V.; Michael Bolte; Hunnur, Raveendra K.; Bharati Badami","Dimethyl 1-{4-[4,5-bis(methoxycarbonyl)-1,2,3-triazol-1-ylmethylcarbonyl]phenyl}-1<i>H</i>-pyrazole-3,4-dicarboxylate","Acta Crystallographica Section E","2005","61","10","o3482","o3484","10.1107/S1600536805030448","","","0.71073","MoKα","","0.032","0.0298","","","0.0714","0.0722","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206938","7.268","0.004","11.813","0.001","21.282","0.003","90","","90","","90","","1827.2","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,6-Bis(4-chlorophenyl)-1-isobutyryl-1,4-dihydro-1,2,4,5-tetrazine","","- C18 H16 Cl2 N4 O -","- C18 H16 Cl2 N4 O -","- C72 H64 Cl8 N16 O4 -","4","1","DN6225","Guo-Wu Rao; Wei-Xiao Hu","3,6-Bis(4-chlorophenyl)-1-isobutyryl-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section E","2005","61","10","o3276","o3277","10.1107/S1600536805018519","","","0.71073","MoKα","","0.1658","0.0399","","","0.0879","0.1215","","","","","","0.988","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206939","6.91","0.005","7.09","0.005","9.27","0.005","101.86","0.05","98.36","0.05","90.51","0.05","439.4","0.5","295","","295","","","","","","","","","6","P -1","-P 1","2","Bis(cytosinium) hexachlorostannate(IV)","Bis(cytosinium) hexachlorostannate(IV)","","- C8 H12 Cl6 N6 O2 Sn -","- C8 H12 Cl6 N6 O2 Sn -","- C8 H12 Cl6 N6 O2 Sn -","1","0.5","DN6241","Bouacida, Sofiane; Hocine Merazig; Beghidja, Adel; Beghidja, Chahrazed","Bis(cytosinium) hexachlorostannate(IV)","Acta Crystallographica Section E","2005","61","10","m2072","m2074","10.1107/S1600536805029727","","","0.71073","MoKα","","0.046","0.0407","","","0.0954","0.0983","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206940","13.74","0.0005","14.6581","0.0007","15.9408","0.0006","90","","94.51","0.003","90","","3200.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(ethylenediamine)zinc(II) bis(2-sulfanilamidopyrimidine) trihydrate","","- C24 H40 N12 O7 S2 Zn -","- C24 H40 N12 O7 S2 Zn -","- C96 H160 N48 O28 S8 Zn4 -","4","1","DN6244","Işık, Şamil; Köysal, Yavuz; Yavuz, Metin; Heren, Zerrin; Vurucu, Leyla","<i>trans-</i>Diaquabis(ethylenediamine)zinc(II) 2-(sulfanilamido)pyrimidine monohydrate","Acta Crystallographica Section E","2005","61","10","m2066","m2068","10.1107/S1600536805029673","","","0.71073","MoKα","","0.0588","0.0413","","","0.1079","0.1149","","","","","","0.963","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206941","7.9614","0.0004","22.054","0.001","10.1707","0.0006","90","","101.747","0.002","90","","1748.38","0.16","293","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(3-amino-2,4-dicyano-5,6,7,8-tetrahydronaphthalen-1-yl)benzoate","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C80 H68 N12 O8 -","4","1","DN6248","Sun-Liang Cui; Feng-Yan Zhou; Xu-Feng Lin","Methyl 4-(3-amino-2,4-dicyano-5,6,7,8-tetrahydronaphthalen-1-yl)benzoate","Acta Crystallographica Section E","2005","61","10","o3198","o3199","10.1107/S1600536805027947","","","0.7107","MoKα","","0.0532","0.053","","","0.1345","0.1346","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206942","6.0904","0.0002","8.9171","0.0003","30.8699","0.0008","90","","93.147","0.001","90","","1673.98","0.09","295","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-(Benzyloxy)spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","DN6250","Shan-Zhong Jian; Ming Lei","7-(Benzyloxy)spiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","10","o3252","o3253","10.1107/S160053680502845X","","","0.71073","MoKα","","","0.0393","","","","0.0857","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206943","7.691","0.002","8.73","0.002","8.959","0.002","98.69","0.01","99.18","0.01","91.19","0.01","586.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Dichloro[cyclopropyl(2-pyridylmethylene)amino]copper(II)","","- C9 H10 Cl2 Cu N2 -","- C9 H10 Cl2 Cu N2 -","- C18 H20 Cl4 Cu2 N4 -","2","1","DN6251","Miao, Jian-Ying","Dichloro[cyclopropyl(2-pyridylmethylene)amino]copper(II)","Acta Crystallographica Section E","2005","61","10","m1981","m1983","10.1107/S1600536805028473","","","0.71073","MoKα","","0.0353","0.034","","","0.0844","0.0852","","","","","","1.162","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206944","10.4397","0.0003","10.8046","0.0003","17.8259","0.0007","90","","92.5932","0.0012","90","","2008.65","0.11","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-(2-Acetoxyethoxymethyl)-2-formamido-6-(4-toluenesulfonyl)oxypurine","","- C18 H19 N5 O7 S -","- C18 H19 N5 O7 S -","- C72 H76 N20 O28 S4 -","4","1","DN6253","Belyakov, Sergey; Ikaunieks, Martins; Madre, Marina","9-(2-Acetoxyethoxymethyl)-2-formamido-6-(<i>p</i>-tolylsulfonyloxy)purine","Acta Crystallographica Section E","2005","61","10","o3452","o3454","10.1107/S1600536805030175","","","0.71073","MoKα","","0.0966","0.0563","","","0.1071","0.1294","","","","","","1.128","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206945","12.688","0.002","11.1649","0.0019","14.229","0.002","90","","112.861","0.002","90","","1857.4","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E)-2-(3,5-Dimethoxyphenyl)-3-(4-ethoxy-3-iodophenyl)acrylic acid","","- C19 H19 I O5 -","- C19 H19 I O5 -","- C76 H76 I4 O20 -","4","1","DN6255","Chen, Kai; Adelstein, S. James; Kassis, Amin I.","(2<i>E</i>)-2-(3,5-Dimethoxyphenyl)-3-(4-ethoxy-3-iodophenyl)acrylic acid","Acta Crystallographica Section E","2005","61","10","o3517","o3519","10.1107/S1600536805030667","","","0.71073","MoKα","","0.0343","0.031","","","0.0647","0.0658","","","","","","1.201","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206946","9.385","0.002","9.84","0.002","11.246","0.002","66.22","0.03","77.23","0.03","61.85","0.03","837.4","0.4","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","2,6-Dibromophenyl acridine-9-carboxylate","","- C20 H11 Br2 N O2 -","- C20 H11 Br2 N O2 -","- C40 H22 Br4 N2 O4 -","2","1","ER6021","Artur Sikorski; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski","2,6-Dibromophenyl acridine-9-carboxylate","Acta Crystallographica Section E","2005","61","10","o3112","o3114","10.1107/S1600536805027145","","","0.71073","MoKα","","0.0791","0.0278","","","0.0649","0.0812","","","","","","0.85","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206947","7.264","0.0017","22.96","0.006","10.27","0.002","90","","92.985","0.003","90","","1710.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2-Ammoniophenylamino)ethanaminium hexachlorostannate(IV) monohydrate","","- C8 H17 Cl6 N3 O Sn -","- C8 H17 Cl6 N3 O Sn -","- C32 H68 Cl24 N12 O4 Sn4 -","4","1","FL6183","Hai-Tang Li; Rui Sun; He-Ping Shi; Shu-Ping Huang","2-(2-Ammoniophenylamino)ethanaminium hexachlorostannate(IV) monohydrate","Acta Crystallographica Section E","2005","61","10","m2088","m2089","10.1107/S1600536805029454","","","0.71073","MoKα","","0.0408","0.0341","","","0.0688","0.0714","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206948","5.5062","0.0013","16.119","0.003","11.939","0.003","90","","101.77","0.02","90","","1037.4","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(2-thienyl)quinoxaline","2-(2-thienyl)quinoxaline","","- C12 H8 N2 S -","- C12 H8 N2 S -","- C48 H32 N8 S4 -","4","1","FL6184","Crundwell, Guy; Stacy, Vanessa","2-(2-Thienyl)quinoxaline","Acta Crystallographica Section E","2005","61","10","o3159","o3160","10.1107/S1600536805027522","","","0.71073","MoKα","","0.0759","0.0451","","0.1478","0.112","0.112","","","","","","1.0022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206949","9.114","0.002","7.319","0.002","25.575","0.006","90","","98.66","0.02","90","","1686.5","0.7","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","O-Ethyl-S-[1-(3,4-dimethoxyphenyl)-2-oximinopropyl]dithiocarbonate","","- C14 H19 N O4 S2 -","- C14 H19 N O4 S2 -","- C56 H76 N4 O16 S8 -","4","1","FL6186","Hartung, Jens; Daniel, Kristina; Svoboda, Ingrid; Fuess, Hartmut","<i>O</i>-Ethyl <i>S</i>-[1-(3,4-dimethoxyphenyl)-2-(hydroxyimino)propyl] dithiocarbonate","Acta Crystallographica Section E","2005","61","10","o3437","o3439","10.1107/S1600536805029909","","","0.71073","MoKα","","0.1005","0.0709","","","0.1919","0.2196","","","","","","0.927","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206950","10.7528","0.0007","10.7528","0.0007","22.281","0.003","90","","90","","120","","2231","0.4","294","2","294","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(dimethyl sufoxide-κO)iron(III) tribromide","","- C12 H36 Br3 Fe O6 S6 -","- C12 H36 Br3 Fe O6 S6 -","- C36 H108 Br9 Fe3 O18 S18 -","3","0.166667","FL6188","Martínez-Alanis, Paulina R.; Toscano, Rubén A.; Castillo, Ivan","Hexakis(dimethyl sufoxide-κ<i>O</i>)iron(III) tribromide","Acta Crystallographica Section E","2005","61","10","m2179","m2180","10.1107/S1600536805030886","","","0.71073","MoKα","","0.0333","0.026","","","0.0649","0.0668","","","","","","0.993","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206951","13.257","0.002","13.564","0.001","14.831","0.004","108.15","0.01","113.34","0.01","101.43","0.01","2163","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","dodeca-μ~2~-hydroxo-di-μ~3~-oxo-hexakis(1,4,7-triazacyclononane- κ^3^N,N',N'')octairon(III) octabromide octahydrate","","- C36 H118 Br8 Fe8 N18 O22 -","- C36 H102 Br8.002 Fe8 N18 O22 -","- C36 H102 Br8.002 Fe8 N18 O22 -","1","0.5","HB6243","Mata, Ignasi; Rodríguez, E.; Molins, Elies","Dodeca-μ~2~-hydroxo-di-μ~3~-oxo-hexakis(1,4,7-triazacyclononane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')octairon(III) octabromide octahydrate","Acta Crystallographica Section E","2005","61","10","m1988","m1990","10.1107/S1600536805028436","","","0.71073","MoKα","","0.1302","0.0589","","","0.1838","0.2094","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206952","4.9331","0.0016","11.276","0.004","9.682","0.003","90","","90.018","0.001","90","","538.6","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diaquabis[malonato(1-)-κ^2^O,O']cobalt(II)","","- C6 H10 Co O10 -","- C6 H10 Co O10 -","- C12 H20 Co2 O20 -","2","0.5","HB6253","Wang, Zi-Liang; Wei, Lin-Heng; Niu, Jing-Yang","Diaquabis[malonato(1‒)-κ^2^<i>O</i>,<i>O</i>']cobalt(II)","Acta Crystallographica Section E","2005","61","10","m1907","m1908","10.1107/S1600536805027157","","","0.71073","MoKα","","0.0338","0.0308","","","0.0744","0.0767","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206953","9.0676","0.0001","12.9618","0.0002","17.9351","0.0003","84.998","0.001","80.8","0.001","84.19","0.001","2064.73","0.05","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","Diaquatris(nicotinato-kO)bis(1,10-phenanthroline-k^2^N,N')lanthanum(III) trihydrate","","- C42 H38 La N7 O11 -","- C42 H38 La N7 O11 -","- C84 H76 La2 N14 O22 -","2","1","HB6254","Ping Wang; Yong Xiao; Zhi-Feng Li","Diaquatris(nicotinato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lanthanum(III) trihydrate","Acta Crystallographica Section E","2005","61","10","m1902","m1903","10.1107/S160053680502725X","","","0.71073","MoKα","","0.0237","0.0204","","","0.0532","0.0542","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206954","13.0985","0.0004","10.7801","0.0004","17.0783","0.0006","90","","102.44","0.003","90","","2354.89","0.14","297","1","297","1","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[(S,S)-1,2-dimethoxy-1,2-bis(1-methyl-1H-benzimidazol-2- yl)ethane]palladium(II) dichloride","","- C40 H44 Cl2 N8 O4 Pd -","- C40 H44 Cl1.05 N8 O4 Pd -","- C80 H88 Cl2.1 N16 O8 Pd2 -","2","1","HB6256","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Bis[(<i>S</i>,<i>S</i>)-1,2-dimethoxy-1,2-bis(1-methyl-1<i>H</i>-benzimidazol-2-yl)ethane]palladium(II) dichloride","Acta Crystallographica Section E","2005","61","10","m1991","m1994","10.1107/S1600536805028242","","","0.71073","MoKα","","0.0526","0.0509","","","0.1539","0.1565","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206955","7.9496","0.001","8.9222","0.0011","8.9747","0.0015","84.202","0.015","64.013","0.012","81.677","0.012","565.66","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Hexapotassium di-μ-dioxosulfato-bis[tetracyanoosmate(III)](Os—Os) dihydrate","","- C8 H4 K6 N8 O6 Os2 S2 -","- C8 H4 K6 N8 O6 Os2 S2 -","- C8 H4 K6 N8 O6 Os2 S2 -","1","0.5","HB6257","Yanko, Oleg G.; Kharkova, Lyudmyla B.; Pekhnyo, Vasyl I.; Volkov, Serhii V.; Naumov, Dmitry Y.; Mironov, Yuri V.","Hexapotassium di-μ-dioxosulfato-bis[tetracyanoosmate(III)](<i>Os{—</i>Os}) dihydrate","Acta Crystallographica Section E","2005","61","10","i211","i212","10.1107/S1600536805027534","","","0.71073","MoKα","","0.0241","0.0206","","","0.0532","0.0538","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206956","9.3455","0.0013","12.2596","0.0013","21.3592","0.0019","90","","90","","90","","2447.2","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[tris(1H-benzimidazole-κN^3^)manganese(II)]-μ-maleato- κ^3^O,O':κO'']","","- C25 H20 Mn N6 O4 -","- C25 H20 Mn N6 O4 -","- C100 H80 Mn4 N24 O16 -","4","1","HB6259","Zi-Qiang Hu; Yong Ni; Guo-Qiao Lai","<i>catena</i>-Poly[[tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)manganese(II)]-μ-maleato-κ^2^<i>O</i>,<i>O</i>':κ<i>O</i>'']","Acta Crystallographica Section E","2005","61","10","m1975","m1977","10.1107/S1600536805028333","","","0.71073","MoKα","","0.051","0.038","","","0.09","0.106","","","","","","1.179","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206957","17.319","0.002","7.2711","0.0007","17.8495","0.0018","90","","115.002","0.003","90","","2037.1","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[bis(1H-benzimidazole-κN^3^)cobalt(II)]- μ-terephthalato-κ^3^O^1^,O^1'^:O^4^]","","- C22 H16 Co N4 O4 -","- C22 H16 Co N4 O4 -","- C88 H64 Co4 N16 O16 -","4","1","HB6260","Tian-Tian Pan; Jian-Rong Su; Duan-Jun Xu","<i>catena</i>-Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)]-μ-terephthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^]","Acta Crystallographica Section E","2005","61","10","m1928","m1930","10.1107/S1600536805027765","","","0.71073","MoKα","","0.066","0.048","","","0.121","0.131","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206958","8.4969","0.0012","13.6406","0.0019","18.179","0.003","90","","91.005","0.002","90","","2106.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexakis(4-nitropyridine N-oxide-κN^1^)cobalt(II) bis(perchlorate)","","- C30 H24 Cl2 Co N12 O26 -","- C30 H24 Cl2 Co N12 O26 -","- C60 H48 Cl4 Co2 N24 O52 -","2","0.5","HB6261","Shi, Jing Min; Chen, Ju Na; Liu, Lian Dong","Hexakis(4-nitropyridine <i>N</i>-oxide-κ<i>N</i>^1^)cobalt(II) bis(perchlorate)","Acta Crystallographica Section E","2005","61","10","m1935","m1936","10.1107/S1600536805027807","","","0.71073","MoKα","","0.0733","0.0667","","","0.1757","0.1808","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206959","13.1183","0.0005","14.2581","0.0006","13.1854","0.0005","90","","113.563","0.001","90","","2260.59","0.16","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis[hexaaquacadmium(II)] 25,26,27,28-tetrahydroxy-2,8,14,19-tetrathiacalix[4]arene-5,11,17,23- tetrasulfonate monohydrate clathrate","","- C24 H38 Cd2 O29 S8 -","- C24 H38 Cd2 O29 S8 -","- C48 H76 Cd4 O58 S16 -","2","0.5","HB6262","Pu-Zhou Hu; Jian-Ge Wang; Lu-Fang Ma; Li-Ya Wang; Seik Weng Ng","Bis[hexaaquacadmium(II)] 25,26,27,28-tetrahydroxy-2,8,14,19-tetrathiacalix[4]arene-5,11,17,23-tetrasulfonate monohydrate clathrate","Acta Crystallographica Section E","2005","61","10","m1957","m1959","10.1107/S1600536805028151","","","0.71073","MoKα","","0.042","0.041","","","0.129","0.13","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206960","19.758","0.004","13.58","0.003","11.587","0.003","90","","115.739","0.003","90","","2800.5","1.1","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Hg N8 O8 S2 -","- C20 H30 Hg N8 O8 S2 -","- C80 H120 Hg4 N32 O32 S8 -","4","0.5","HB6265","Jiu-Li Chang; Li-Ya Wang; Kai Jiang","Bis[1-hydroxy-4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl-κ<i>N</i>)-2,3-dihydro-1<i>H</i>-imidazole-κ<i>N</i>^3^]dinitratomercury(II)","Acta Crystallographica Section E","2005","61","10","m2100","m2102","10.1107/S1600536805030060","","","0.71073","MoKα","","0.0282","0.0197","","","0.0503","0.0559","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206961","11.1137","0.0002","13.0414","0.0003","13.8382","0.0003","79.1515","0.001","68.8106","0.001","79.7017","0.0009","1823.18","0.07","150","1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H47 Fe N8 O11 -","- C33 H47 Fe N8 O11 -","- C66 H94 Fe2 N16 O22 -","2","1","HB6268","Tam, Tim F.; Leung-Toung, Regis; Wang, Yingsheng; Spino, Michael; Williams, Glenn; Lough, Alan J.","Tris(2-<i>N</i>-methylaminocarbonyl-3-hydroxy-1,6-dimethyl-1,4-dihydro-4-pyridinonato)iron(III) dimethylformamide disolvate","Acta Crystallographica Section E","2005","61","10","m2055","m2057","10.1107/S1600536805029776","","","0.71073","MoKα","","0.0757","0.0467","","","0.1107","0.1256","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206962","10.139","0.003","10.649","0.004","12.138","0.003","95.34","0.03","94.11","0.02","113.05","0.02","1192.3","0.7","295","2","295","2","","","","","","","","6","P -1","-P 1","2","([1.5]Dibenzo-18-crown-6-κ^6^)potassium chlorochromate","(6,7,9,10,12,13,15,16- octahydrodibenzo[b,e][1,4,7,10,13,16] hexaoxacyclooctadecine)potassium chlorochromate","","- C20 H24 Cl Cr K O9 -","- C20 H24 Cl Cr K O9 -","- C40 H48 Cl2 Cr2 K2 O18 -","2","1","HB6269","Kotlyar, Sergei A.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Chuprin, Gennady N.; Kiriyak, Andrey V.; Kamalov, Gerbert L.","([1.5]Dibenzo-18-crown-6)potassium chlorochromate","Acta Crystallographica Section E","2005","61","10","m2163","m2165","10.1107/S1600536805030151","","","0.71073","MoKα","","0.1141","0.0676","","","0.1803","0.1969","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206963","7.5796","0.0015","19.255","0.004","17.201","0.004","90","","100.509","0.004","90","","2468.3","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-Poly[bis(ethylenediamine-κ^2^N,N')copper(II) (2,3-dimercaptobutenedinitrile-κ^2^S,S')(2,3-dimercaptobutenedinitrile- κ^4^S,S',N,N')cuprate(II)]","","- C28 H52 Cd2 N20 Ni2 O2 S8 -","- C28 H52 Cd2 N20 Ni2 O2 S8 -","- C56 H104 Cd4 N40 Ni4 O4 S16 -","2","0.5","HB6270","Fu, Ai-Yun; Wang, Da-Qi; Jian-Xin Xing","<i>catena</i>-Poly[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) [cadmium(II)-di-μ-1,2-dicyanoethylenedithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>'] monohydrate]","Acta Crystallographica Section E","2005","61","10","m2115","m2117","10.1107/S1600536805030291","","","0.71073","MoKα","","0.1189","0.051","","","0.0752","0.0829","","","","","","0.999","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2206964","12.2152","0.0004","10.312","0.0002","19.3617","0.0004","90","","91.257","0.001","90","","2438.27","0.11","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(1H-benzimidazole-κN^3^)(oxydiacetate-κ^3^O,O',O'')cobalt(II)","","- C25 H22 Co N6 O5 -","- C25 H22 Co N6 O5 -","- C100 H88 Co4 N24 O20 -","4","1","HB6272","Lei Cao; Duan-Jun Xu","Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II)","Acta Crystallographica Section E","2005","61","10","m2127","m2129","10.1107/S1600536805030126","","","0.71073","MoKα","","0.07","0.041","","","0.1","0.114","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206965","11.042","0.002","9.487","0.002","17.796","0.002","90","","95.635","0.01","90","","1855.2","0.6","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1,2-Benzenediolato-κ^2^O,O')((2,2'-biquinoline-κ^2^N,N')palladium(II)","","- C24 H16 N2 O2 Pd -","- C24 H16 N2 O2 Pd -","- C96 H64 N8 O8 Pd4 -","4","1","HB6273","Okabe, Nobuo; Aziyama, Toshihiko; Odoko, Mamiko","(1,2-Benzenediolato-κ^2^<i>O</i>,<i>O</i>')(2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')palladium(II)","Acta Crystallographica Section E","2005","61","10","m2154","m2156","10.1107/S160053680503062X","","","0.7107","MoKα","","","0.0323","","","","0.0887","","","","","","1.068","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206966","10.4582","0.0016","12.8031","0.0019","21.161","0.003","90","","99.308","0.002","90","","2796.1","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(μ-diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17- tetraazadibenzo[a,g]cyclotetradecine-13,18- dicarboxylate)-1κ^4^N:2κ^2^O^6^,O^7^;2κO^6^,O^7^:3κ^4^N- dimethanoldinickel(II)zinc(II) bis(perchlorate)","","- C50 H52 Cl2 N8 Ni2 O22 Zn -","- C50 H52 Cl2 N8 Ni2 O22 Zn -","- C100 H104 Cl4 N16 Ni4 O44 Zn2 -","2","0.5","HG6213","Li, Xiao-Zeng; He, Jun-Hong; Zhang, Wen-Qin; Liu, Bao-Lin","A new heterotrinuclear macrocyclic complex: bis(μ-diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17-tetraazadibenzo[<i>a</i>,<i>g</i>]cyclotetradecine-13,18-dicarboxylato)-1κ^4^<i>N</i>:2κ^2^<i>O</i>^6^,<i>O</i>^7^;2κ<i>O</i>^6^,<i>O</i>^7^:3κ^4^<i>N</i>-dimethanoldinickel(II)zinc(II) bis(perchlorate)","Acta Crystallographica Section E","2005","61","10","m2018","m2020","10.1107/S160053680502828X","","","0.71073","MoKα","","0.0468","0.0365","","","0.0997","0.1055","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206967","11.252","0.003","13.999","0.004","11.315","0.003","90","","116.227","0.004","90","","1598.8","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[silver(I)-μ-1-phenylsulfanyl-2-(2-pyridylsulfanyl)ethane- κ^2^S^1^:N^2^] tetrafluoroborate]","","- C13 H13 Ag B F4 N S2 -","- C13 H13 Ag B F4 N S2 -","- C52 H52 Ag4 B4 F16 N4 S8 -","4","1","HG6219","Xie, Chuang; Zhou, Li-Na; Hou, Bao-Hong; Wang, Jing-Kang; Chen, Wei","<i>catena</i>-Poly[[silver(I)-μ-1-phenylsulfanyl-2-(2-pyridylsulfanyl)ethane-κ^2^<i>S</i>^1^:<i>N</i>^2^] tetrafluoroborate]","Acta Crystallographica Section E","2005","61","10","m2095","m2096","10.1107/S1600536805025146","","","0.71073","MoKα","","0.0637","0.0361","","","0.0777","0.0877","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206968","16.1964","0.0009","8.0465","0.0004","22.5076","0.0013","90","","90","","90","","2933.3","0.3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[2-(1H-benzimidazol-2-yl)phenolato]copper(II) dimethylformamide disolvate","","- C32 H32 Cu N6 O4 -","- C32 H32 Cu N6 O4 -","- C128 H128 Cu4 N24 O16 -","4","0.5","HG6221","Xi, Yun; Li, Jun; Zhang, Fengxing","Bis[2-(1<i>H</i>-benzimidazol-2-yl)phenolato]copper(II) dimethylformamide disolvate","Acta Crystallographica Section E","2005","61","10","m1953","m1954","10.1107/S1600536805027844","","","0.71073","MoKα","","0.0805","0.0425","","","0.1012","0.1153","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206969","17.229","0.002","15.363","0.003","27.639","0.005","90","","93.3","0.15","90","","7304","2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Tetrakis(μ~3~-thiourea)bis(μ~2~-thiourea)octakis(thiourea)hexacopper(I) hexaperchlorate","","- C14 H56 Cl6 Cu6 N28 O24 S14 -","- C14 H56 Cl6 Cu6 N28 O24 S14 -","- C56 H224 Cl24 Cu24 N112 O96 S56 -","4","1","HG6222","S. Athimoolam; J. Kumar; V. Ramakrishnan; R. K. Rajaram","Tetrakis(μ~3~-thiourea)bis(μ~2~-thiourea)octakis(thiourea)hexacopper(I) hexakis(perchlorate)","Acta Crystallographica Section E","2005","61","10","m2014","m2017","10.1107/S1600536805028588","","","0.71073","MoKα","","0.0569","0.0385","","","0.1016","0.1104","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206970","6.8627","0.0016","7.9031","0.0019","27.01","0.006","90","","95.406","0.004","90","","1458.4","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(Z)-(1-Naphthyl)methylene]benzimidazo[2,1-b]thiazol-3(2H)-one","","- C20 H12 N2 O S -","- C20 H12 N2 O S -","- C80 H48 N8 O4 S4 -","4","1","HG6233","Liang, Zu-Pei; Li, Jian; Li, Gao-Ning; Cao, Chang-Qing; Wang, Guang-Jian","2-[(<i>Z</i>)-(1-Naphthyl)methylene]benzimidazo[2,1-<i>b</i>]thiazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","10","o3166","o3167","10.1107/S1600536805027613","","","0.71073","MoKα","","0.1088","0.0488","","","","0.1091","","","","","","0.945","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206971","12.3847","0.0003","7.4853","0.0004","12.3351","0.0003","90","","128.764","0.004","90","","891.63","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","10-(3-Acetamidobenzylidene)anthrone","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C46 H34 N2 O4 -","2","1","HG6234","Zhou, Wei; Hu, Wei-Xiao; Xia, Chun-Nian; Chen, Min-Qin","10-(3-Acetamidobenzylidene)anthrone","Acta Crystallographica Section E","2005","61","10","o3170","o3171","10.1107/S1600536805027601","","","0.71073","MoKα","","0.0762","0.0506","","","0.11","0.1505","","","","","","1.102","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206972","7.776","0.0011","16.453","0.0016","16.622","0.0016","90","","99.31","0.03","90","","2098.6","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-(2,4-Dichlorobenzamido)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]- 1H-pyrazole-3-carbonitrile","","- C18 H7 Cl4 F3 N4 O -","- C18 H7 Cl4 F3 N4 O -","- C72 H28 Cl16 F12 N16 O4 -","4","1","HG6237","Zhong, Ping; Zhang, Xiao-Hong; Xiao, Hong-Ping; Hu, Mao-Lin","5-(2,4-Dichlorobenzamido)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","10","o3110","o3111","10.1107/S1600536805027054","","","0.71073","MoKα","","0.1055","0.0925","","","0.2336","0.244","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206973","7.017","0.002","23.873","0.002","8.118","0.003","90","","100.3","0.03","90","","1338","0.6","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Benzene-1,2-diolato-κ^2^O,O')(2,2'-bipyridine-κ^2^N,N')palladium(II)","","- C16 H12 N2 O2 Pd -","- C16 H12 N2 O2 Pd -","- C64 H48 N8 O8 Pd4 -","4","1","HG6238","Okabe, Nobuo; Aziyama, Toshihiko; Odoko, Mamiko","(Benzene-1,2-diolato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II)","Acta Crystallographica Section E","2005","61","10","m1943","m1945","10.1107/S1600536805027704","","","0.7107","MoKα","","","0.0428","","","","0.1359","","","","","","1.211","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206974","10.672","0.001","6.301","0.002","15.091","0.001","90","","100.567","0.009","90","","997.6","0.3","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Bis(isoquinoline-3-carboxylato-κ^2^N,O)bis(methanol-κO)zinc(II)","","- C22 H20 N2 O6 Zn -","- C22 H20 N2 O6 Zn -","- C44 H40 N4 O12 Zn2 -","2","0.5","HG6240","Okabe, Nobuo; Muranishi, Yasunori; Mamiko, Odoko","<i>trans</i>-Bis(isoquinoline-3-carboxylato-κ^2^<i>N</i>,<i>O</i>)bis(methanol-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2005","61","10","m1946","m1947","10.1107/S1600536805027698","","","0.7107","MoKα","","","0.0328","","","","0.0862","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206975","9.461","0.002","8.3944","0.0017","14.601","0.003","90","","94.069","0.004","90","","1156.7","0.4","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetraethyl 2,2'-(p-phenylenedimethylene)dimalonate","","- C22 H30 O8 -","- C22 H30 O8 -","- C44 H60 O16 -","2","0.5","HG6241","Ai-Hua Chen; Zhi-Guo Wang; Guo-Dong Yin; An-Xin Wu","Tetraethyl 2,2'-(<i>p</i>-phenylenedimethylene)dimalonate","Acta Crystallographica Section E","2005","61","10","o3240","o3241","10.1107/S1600536805028126","","","0.71073","MoKα","","0.0796","0.0663","","","0.1817","0.1968","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206976","4.7016","0.0006","10.1325","0.0014","26.273","0.003","90","","90","","90","","1251.6","0.3","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-Hexylaminophenol","4-(n-Hexylamino)phenol","","- C12 H19 N O -","- C12 H19 N O -","- C48 H76 N4 O4 -","4","1","HG6242","Herrera, Ana M.; Bernès, Sylvain; López, Delia","4-(Hexylamino)phenol","Acta Crystallographica Section E","2005","61","10","o3210","o3211","10.1107/S1600536805027868","","","0.71073","MoKα","","0.0866","0.0531","","","0.1389","0.1703","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206977","5.4659","0.001","13.6278","0.0019","32.124","0.004","90","","90","","90","","2392.9","0.6","296","2","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Hexyloxyphenylamine","4-(n-Hexyloxy)aniline","","- C12 H19 N O -","- C12 H19 N O -","- C96 H152 N8 O8 -","8","1","HG6243","Herrera, Ana M.; Bernès, Sylvain; López, Delia","4-(Hexyloxy)aniline","Acta Crystallographica Section E","2005","61","10","o3212","o3213","10.1107/S160053680502787X","","","0.71073","MoKα","","0.1079","0.0501","","","0.1173","0.1494","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206978","10.9022","0.0007","17.636","0.001","16.8688","0.0008","90","","92.795","0.002","90","","3239.5","0.3","295","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(2-Bromobutanoyl)spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one","","- C17 H20 Br N O3 -","- C17 H20 Br N O3 -","- C136 H160 Br8 N8 O24 -","8","1","HG6244","Shan-Zhong Jian; Ming Lei","3-(2-Bromobutanoyl)spiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","10","o3196","o3197","10.1107/S1600536805027881","","","0.71069","MoKα","","","0.0358","","","","0.0957","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206979","14.829","0.003","7.3472","0.0014","13.713","0.003","90","","95.313","0.003","90","","1487.6","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methylpiperazin-1-ium 2-amino-5-iodobenzoate","","- C12 H18 I N3 O2 -","- C12 H18 I N3 O2 -","- C48 H72 I4 N12 O8 -","4","1","HG6245","Zhu, Mu-Lan; Guo, Ming-Lin","4-Methylpiperazin-1-ium 2-amino-5-iodobenzoate","Acta Crystallographica Section E","2005","61","10","o3310","o3311","10.1107/S1600536805029077","","","0.71073","MoKα","","0.066","0.0322","","","0.0721","0.088","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206980","7.146","0.004","17.906","0.009","21.697","0.011","90","","90","","90","","2776","3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-((1H-1,2,4-triazol-1-yl)methyl)-4-(4-fluorobenzylideneamino)-2H- 1,2,4-triazole-3(4H)-thione","","- C12 H10 F N7 S -","- C12 H10 F N7 S -","- C96 H80 F8 N56 S8 -","8","1","HG6247","Yang, Xiu-Ying; Shang, Yu-Qing; Yu, Guan-Ping; Zhang, Pu-Yong; Li, Wei-Hua; Hou, Bao-Rong","5-[(1<i>H</i>-1,2,4-Yriazol-1-yl)methyl]-4-(4-fluorobenzylideneamino)-2<i>H</i>-1,2,4-triazole-3(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","10","o3371","o3372","10.1107/S1600536805029715","","","0.71073","MoKα","","0.0978","0.0441","","","0.0909","0.1108","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206981","9.5474","0.0012","14.1858","0.0018","18.802","0.002","90","","96.224","0.002","90","","2531.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","di-μ-acetato-κ^4^O:O'-bis[bis(1,10-phenanthroline-κ^2^N,N')manganese(II)] bis(perchlorate)","","- C52 H38 Cl2 Mn2 N8 O12 -","- C52 H38 Cl2 Mn2 N8 O12 -","- C104 H76 Cl4 Mn4 N16 O24 -","2","0.5","IS6113","Xueli Niu; Jianmin Dou; Changwen Hu; Dacheng Li; Daqi Wang","A binuclear manganese(II) complex: di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate)","Acta Crystallographica Section E","2005","61","10","m1909","m1911","10.1107/S1600536805027479","","","0.71073","MoKα","","0.0529","0.0436","","","0.1238","0.1321","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206982","6.765","0.0006","23.8952","0.0019","12.0094","0.001","90","","105.67","0.001","90","","1869.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Ethyl 3,4-dimethyl 4'-methylbiphenyl-2,3,4-tricarboxylate","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","IS6115","Sundari Bhaskaran; D. Velmurugan; K. Ravikumar; A. K. Mohana Krishnan; C. Prakash","2-Ethyl 3,4-dimethyl 4'-methylbiphenyl-2,3,4-tricarboxylate","Acta Crystallographica Section E","2005","61","10","o3339","o3341","10.1107/S1600536805029090","","","0.71073","MoKα","","0.0941","0.0743","","","0.2014","0.217","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206983","7.651","0.001","28.146","0.004","10.977","0.0014","90","","103.214","0.002","90","","2301.3","0.5","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rac-Diethyl 2,3-bis(2-methoxybenzoyl)succinate","","- C24 H26 O8 -","- C24 H26 O8 -","- C96 H104 O32 -","4","1","IS6116","Meng, Xiang-gao; Wu, An-Xin","<i>rac</i>-Diethyl 2,3-bis(2-methoxybenzoyl)succinate","Acta Crystallographica Section E","2005","61","10","o3203","o3204","10.1107/S1600536805027856","","","0.71073","MoKα","","0.0908","0.0654","","","0.1625","0.1771","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206984","7.366","0.0015","12.422","0.003","14.785","0.003","90","","96.699","0.002","90","","1343.6","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2'-(4-Methoxybenzylidene)isonicotinohydrazide monohydrate","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","1","IS6117","Zuo-Liang Jing; Zhi Fan; Ming Yu; Xin Chen; Qi-Liang Deng","2'-(4-Methoxybenzylidene)isonicotinohydrazide monohydrate","Acta Crystallographica Section E","2005","61","10","o3208","o3209","10.1107/S1600536805027959","","","0.71073","MoKα","","0.0438","0.0341","","","0.0918","0.0971","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206985","8.826","0.004","10.608","0.005","11.619","0.005","64.982","0.007","83.064","0.008","83.425","0.007","976.1","0.8","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","N-benzylidene-4-(ferrocenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-thiazol-2-amine","","- C22 H17 Fe N5 S -","- C22 H17 Fe N5 S -","- C44 H34 Fe2 N10 S2 -","2","1","IS6118","Hai-Bo Yu; Ling Shao; Zhong Jin; Jian-Bing Liu; Jian-Xin Fang","<i>N</i>-Benzylidene-4-(ferrocenyl)-5-(1<i>H</i>-1,2,4-triazol-1-yl)-1,3-thiazol-2-amine","Acta Crystallographica Section E","2005","61","10","m2031","m2032","10.1107/S1600536805028953","","","0.71073","MoKα","","0.0588","0.0381","","","0.0904","0.1029","","","","","","1.038","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206986","11.569","0.0008","9.915","0.0007","14.337","0.001","90","","114.086","0.004","90","","1501.36","0.19","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Phenyl-5,6-dihydrobenzoimidazo[1,2-c]quinazoline","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","IS6119","Mahendra, M; Gayathri, V.; Jayalakshmi, K.; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J.","6-Phenyl-5,6-dihydrobenzoimidazo[1,2-<i>c</i>]quinazoline","Acta Crystallographica Section E","2005","61","10","o3249","o3251","10.1107/S1600536805028655","","","0.71073","MoKα","","0.0573","0.0465","","","0.1224","0.1437","","","","","","1.182","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206987","21.95","0.003","9.9632","0.0015","15.538","0.002","90","","106.028","0.002","90","","3265.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(1H-Benzotriazol-1-yl))-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1- yl)ethanone","","- C16 H10 Cl2 N6 O -","- C16 H10 Cl2 N6 O -","- C128 H80 Cl16 N48 O8 -","8","1","IS6120","Jun Wan; Chun-Li Li; Xue-Mei Li; Shu-Sheng Zhang; Ping-Kai Ouyang","2-(1<i>H</i>-Benzotriazol-1-yl)-1-(2,4-dichlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone","Acta Crystallographica Section E","2005","61","10","o3232","o3233","10.1107/S1600536805028448","","","0.71073","MoKα","","0.0678","0.0526","","","0.1203","0.1296","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206988","25.179","0.004","13.822","0.003","24.112","0.004","90","","99.58","0.01","90","","8275","3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","antimonium phthalocyanine","Bis{[phthalocyaninato(2-)]antimony(III)} tetradecaiodotetraantimony(III)","","- C64 H32 I14 N16 Sb6 -","- C64 H32 I14 N16 Sb6 -","- C256 H128 I56 N64 Sb24 -","4","0.5","IS6121","Genivaldo Júlio Perpétuo; Jan Janczak","Bis{[phthalocyaninato(2‒)]antimony(III)} tetradecaiodotetraantimonate(III)","Acta Crystallographica Section E","2005","61","10","m2003","m2005","10.1107/S1600536805028485","","","0.71073","MoKα","","0.079","0.0476","","","0.1039","0.1093","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206989","7.4223","0.0015","8.1444","0.0016","10.642","0.002","74.01","0.03","71.64","0.03","75.44","0.03","577.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(3-methoxycarbonylamino-4-methyl-phenyl)-carbamic acid methyl ester","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C22 H28 N4 O8 -","2","1","IS6122","Yong-Yan Lu; Qiu-Xiang Yin; Jing-Kang Wang; Li-Na Zhou","Dimethyl <i>N</i>,<i>N</i>'-(4-methyl-<i>m</i>-phenylene)dicarbamate","Acta Crystallographica Section E","2005","61","10","o3412","o3413","10.1107/S1600536805029958","","","0.71073","MoKα","","0.0552","0.0516","","","0.1663","0.171","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206990","22.654","0.003","7.5464","0.001","18.816","0.002","90","","123.692","0.002","90","","2676.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-{[3-(2-Nitrophenyl)prop-2-enylidene]amino}phenol","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C120 H96 N16 O24 -","8","1","IS6123","Ying Li; Xiao-Yan Yang; Shu-Sheng Zhang; Xue-Mei Li","2-{[3-(2-Nitrophenyl)prop-2-enylidene]amino}phenol","Acta Crystallographica Section E","2005","61","10","o3337","o3338","10.1107/S1600536805029338","","","0.71073","MoKα","","0.0606","0.048","","","0.1182","0.1268","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206991","11.547","0.005","9.113","0.004","12.801","0.005","90","","101.651","0.008","90","","1319.3","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Benzaldehyde 1-(2,3,4,6-tetra-O-acetyl-β-D- galactopyranosyl)thiosemicarbazone","","- C22 H27 N3 O9 S -","- C22 H27 N3 O9 S -","- C44 H54 N6 O18 S2 -","2","1","IS6124","Shu-Sheng Zhang; Bo Yang; Hui-Xiang Li; Xue-Mei Li","Benzaldehyde 1-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl)thiosemicarbazone","Acta Crystallographica Section E","2005","61","10","o3478","o3479","10.1107/S1600536805030308","","","0.71073","MoKα","","0.1083","0.0628","","","0.1111","0.1318","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206992","10.1251","0.0006","11.4082","0.0005","25.4972","0.0015","90","","90","","90","","2945.2","0.3","193","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3aS,4S,4aS,7R,9S,9aS)-Methyl 4-benzyloxy-9-methanesulfonyloxy-2,2-dimethyl-8-oxo- octahydro-1,3-dioxa-5-thia-7a-aza-cyclopenta[f]azulene-7-carboxylate toluene solvate","","- C28 H35 N O9 S2 -","- C28 H35 N O9 S2 -","- C112 H140 N4 O36 S8 -","4","1","IS6126","Hörger, Rolf; Marsch, Michael; Geyer, Armin; Harms, Klaus","(3a<i>S</i>,4<i>S</i>,4a<i>S</i>,7<i>R</i>,9<i>S</i>,9a<i>S</i>)-Methyl 4-benzyloxy-9-methylsulfonyloxy-2,2-dimethyl-8-oxooctahydro-1,3-dioxa-5-thia-7a-azacyclopenta[<i>f</i>]azulene-7-carboxylate toluene solvate","Acta Crystallographica Section E","2005","61","10","o3447","o3448","10.1107/S160053680503031X","","","0.71073","MoKα","","","0.0269","","","","0.0491","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206993","11.4827","0.0009","15.6864","0.0013","18.4671","0.0014","90","","90","","90","","3326.3","0.5","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(Benzenesulfonyloxy)-2,2,6,6-tetramethylpiperidin-4-yl oxide","","- C15 H22 N O4 S -","- C15 H22 N O4 S -","- C120 H176 N8 O32 S8 -","8","1","JH6014","Zhou, Bao-Han; Meng, Xiang-Gao; Yin, Guo-Dong; Wu, An-Xin","4-(Benzenesulfonyloxy)-2,2,6,6-tetramethylpiperidin-4-yl oxide","Acta Crystallographica Section E","2005","61","10","o3377","o3379","10.1107/S1600536805028035","","","0.71073","MoKα","","0.0683","0.0467","","","0.1303","0.1455","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206994","10.5785","0.0018","3.7461","0.0006","20.002","0.003","90","","94.587","0.003","90","","790.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isonicotinamide‒formamide co-crystal","isonicotinamide‒formamide (1/1)","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C28 H36 N12 O8 -","4","1","JH6015","Iain D. H. Oswald; W. D. Sam Motherwell; Simon Parsons","Isonicotinamide‒formamide (1/1)","Acta Crystallographica Section E","2005","61","10","o3161","o3163","10.1107/S1600536805026632","","","0.71073","MoKα","","0.0528","0.0442","","","0.1178","0.1223","","","","","","1.059","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2206995","10.0454","0.0018","25.564","0.005","8.4997","0.0015","90","","99.427","0.003","90","","2153.3","0.7","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl (11bR,11cS)-rel-5,10-dihydro-7-nitro-4,11-dioxo-1H,3H,4H,11H-2-oxa- 3a,4a,10a,11a-tetraazabenz[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxylate","","- C20 H21 N5 O9 -","- C20 H21 N5 O9 -","- C80 H84 N20 O36 -","4","1","JH6016","Qin, Shuqi; Yin, Guodong","<i>rel</i>-(11b<i>R</i>,11c<i>S</i>)-Diethyl 5,10-dihydro-7-nitro-4,11-dioxo-1<i>H</i>,3<i>H</i>,4<i>H</i>,11<i>H</i>-2-oxa- 3a,4a,10a,11a-tetraazabenz[<i>f</i>]indeno[2,1,7-<i>ija</i>]azulene-11b,11c-dicarboxylate","Acta Crystallographica Section E","2005","61","10","o3164","o3165","10.1107/S1600536805027741","","","0.71073","MoKα","","0.081","0.0647","","","0.1611","0.1719","","","","","","1.054","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206996","9.4236","0.0007","7.3711","0.0005","24.5011","0.0018","90","","99.693","0.001","90","","1677.6","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl2 N3 O -","- C18 H15 Cl2 N3 O -","- C72 H60 Cl8 N12 O4 -","4","1","JH6017","Jing, Zuo-Liang; Yu, Ming; Chen, Xin; Deng, Qi-Liang","4-[(2,4-Dichlorobenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one","Acta Crystallographica Section E","2005","61","10","o3359","o3360","10.1107/S1600536805029624","","","0.71073","MoKα","","0.0471","0.0338","","","0.0887","0.0942","","","","","","1.084","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206997","3.7619","0.0009","10.23","0.002","11.81","0.003","98.634","0.004","92.415","0.005","99.326","0.004","442.38","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-Nitrophenol‒carbamide (1/1)","","- C7 H9 N3 O4 -","- C7 H9 N3 O4 -","- C14 H18 N6 O8 -","2","1","JH6018","Ya-Juan Zhao; Xin-Hua Li","4-Nitrophenol‒urea (1/1)","Acta Crystallographica Section E","2005","61","10","o3366","o3367","10.1107/S1600536805029442","","","0.71073","MoKα","","0.0793","0.061","","","0.1293","0.1412","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206998","7.0054","0.0014","8.2661","0.0017","14.445","0.003","74.5","0.03","77.09","0.03","88.37","0.03","785.2","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-Carboxymethyl-3-hydroxypyridinium nitrate‒3-hydroxypyridinium-1-acetate (1/1)","","- C14 H15 N3 O9 -","- C14 H15 N3 O9 -","- C28 H30 N6 O18 -","2","1","JH6021","Zhu-Yan Zhang; Shan Gao; Li-Hua Huo; Jing-Gui Zhao","1-Carboxymethyl-3-hydroxypyridinium nitrate‒3-hydroxypyridinium-1-acetate (1/1)","Acta Crystallographica Section E","2005","61","10","o3487","o3489","10.1107/S1600536805030618","","","0.71073","MoKα","","0.0643","0.0496","","","0.1683","0.1807","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206999","6.149","0.001","11.255","0.001","27.402","0.001","90","","90.431","0.001","90","","1896.4","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MOPS","3-(morpholinium-1-yl)propanesulfonate","","- C7 H15 N O4 S -","- C7 H15 N O4 S -","- C56 H120 N8 O32 S8 -","8","2","KP6056","Maksymilian Chruszcz; Heping Zheng; Marcin Cymborowski; Anna Gawlicka-Chruszcz; Wladek Minor","3-(Morpholinium-1-yl)propanesulfonate","Acta Crystallographica Section E","2005","61","10","o3190","o3191","10.1107/S1600536805027728","","","0.71074","MoKα","","0.0308","0.0264","","","0.0725","0.0751","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207000","8.1968","0.0011","10.218","0.0014","16.581","0.002","86.447","0.002","85.668","0.003","70.083","0.002","1301","0.3","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 5-amino-1-(4-chlorophenyl-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphinan-2-yl)- 3-(6-chloro-3-pyridylmethylamino)-1H-pyrazole-4-carboxylate","","- C23 H26 Cl2 N5 O5 P -","- C23 H26 Cl2 N5 O5 P -","- C46 H52 Cl4 N10 O10 P2 -","2","1","KP6058","Zai-Gang Luo; De-Qing Shi; Xiang-Gao Meng","Ethyl 5-amino-1-(4-chlorophenyl-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphinan-2-yl)-3-(6-chloro-3-pyridylmethylamino)-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2005","61","10","o3307","o3309","10.1107/S160053680502917X","","","0.71073","MoKα","","0.0722","0.05","","","0.1137","0.1395","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207001","13.64","0.0003","8.79","0.0003","15.231","0.0005","90","","100.697","0.001","90","","1794.4","0.09","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","2,4-Pentanedionatobis(dimethylaminoethanol)nickel(II) chloride","","- C13 H29 Cl N2 Ni O4 -","- C13 H29 Cl N2 Ni O4 -","- C52 H116 Cl4 N8 Ni4 O16 -","4","1","LH6466","Sohail, Manzar; Kieran C. Molloy; Mazhar, Muhammad; G. Kociok-Köhn; Khosa, M. Kaleem","Bis[2-(dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II) chloride","Acta Crystallographica Section E","2005","61","10","m2001","m2002","10.1107/S1600536805028424","","","0.71073","MoKα","","0.0681","0.0498","","","0.122","0.1369","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207002","7.2099","0.0005","13.6448","0.0009","29.631","0.003","90","","90","","90","","2915","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Acetyl-4-(4-ethoxyphenyldiazenyl)phenol","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","LH6476","Deveci, Özlem; Işık, Şamil; Albayrak, Çiǧdem; Ağar, Erbil","2-Acetyl-4-(4-ethoxyphenyldiazenyl)phenol","Acta Crystallographica Section E","2005","61","10","o3226","o3227","10.1107/S1600536805028072","","","0.71073","MoKα","","0.1385","0.0534","","","0.1357","0.1726","","","","","","0.885","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207003","16.326","0.003","13.119","0.003","17.644","0.003","90","","106.069","0.002","90","","3631.4","1.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","cobaltocenium triflate","Bis(η^5^-cyclopentadienyl)cobalt(III) trifluoromethanesulfonate","","- C11 H10 Co F3 O3 S -","- C11 H10 Co F3 O3 S -","- C132 H120 Co12 F36 O36 S12 -","12","3","LH6486","Andrews, Christopher G.; Macdonald, Charles L. B.","Cobaltocenium trifluoromethanesulfonate","Acta Crystallographica Section E","2005","61","10","m2103","m2105","10.1107/S1600536805029879","","","0.71073","MoKα","","0.1692","0.0715","","","0.1663","0.2122","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207004","11.574","0.003","20.21","0.005","14.919","0.003","90","","128.638","0.013","90","","2725.8","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N-vanillylidenetyrosinato-κ^3^O,N,O')(2,2'-bipyridine-κ^2^N,N') oxovanadium(IV) methanol solvate hydrate","","- C28 H29 N3 O8 V -","- C28 H29 N3 O8 V -","- C112 H116 N12 O32 V4 -","4","1","LH6492","Bu-Qin Jing; Lian-Zhi Li; Da-Qi Wang; Tao Xu","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')oxo(<i>N</i>-vanillylidenetyrosinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')vanadium(IV) methanol solvate monohydrate","Acta Crystallographica Section E","2005","61","10","m2106","m2108","10.1107/S1600536805029855","","","0.71073","MoKα","","0.1175","0.0598","","","0.1539","0.1983","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207005","13.408","0.002","10.517","0.002","29.505","0.006","90","","92.9","0.02","90","","4155.2","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2'-Hydroxy-3'-(morpholin-4-yl-methyl)-4',6'-dimethoxy-2-chloro-chalcone","","- C22 H24 Cl N O5 -","- C22 H24 Cl N O5 -","- C176 H192 Cl8 N8 O40 -","8","1","LH6493","Tao Liu; Zhong-Miao Xu; Yong-Zhou Hu","2'-Hydroxy-3'-(morpholin-4-yl-methyl)-4',6'-dimethoxy-2-chloro-chalcone","Acta Crystallographica Section E","2005","61","10","o3389","o3390","10.1107/S1600536805029648","","","0.71073","MoKα","","0.1235","0.0434","","","0.0783","0.0878","","","","","","0.813","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207006","6.5934","0.0004","8.0307","0.0005","11.2873","0.0008","80.62","0.001","82.639","0.001","77.613","0.001","573.24","0.06","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(benzylaminium) tetraaquadisulfatomanganate(II)","","- C14 H28 Mn N2 O12 S2 -","- C14 H28 Mn N2 O12 S2 -","- C14 H28 Mn N2 O12 S2 -","1","0.5","LH6494","Naumov, Panc̆e; Jordanovska, Vera; Ng, Seik Weng","Bis(benzylaminium) tetraaquadisulfatomanganate(II)","Acta Crystallographica, Section E","2005","61","10","m1970","m1971","10.1107/S1600536805028370","","","0.71073","MoKα","","0.034","0.033","","","0.101","0.103","","","","","","1.1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207007","7.418","0.0007","10.2724","0.0009","14.262","0.001","90","","90.588","0.002","90","","1086.72","0.16","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Chloro-4-hydroxyanthraquinone","","- C14 H7 Cl O3 -","- C14 H7 Cl O3 -","- C56 H28 Cl4 O12 -","4","1","LH6495","Ng, Seik Weng","1-Chloro-4-hydroxyanthraquinone","Acta Crystallographica Section E","2005","61","10","o3230","o3231","10.1107/S1600536805028400","","","0.71073","MoKα","","0.112","0.061","","","0.164","0.2","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207008","8.0518","0.0002","9.3238","0.0002","13.5469","0.0003","96.3421","0.0012","100.272","0.0014","94.966","0.0013","988.7","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","cis-bis(2,2'-bipyridyl)difluorovanadium(III) tetrafluoroborate","","- C20 H16 B F6 N4 V -","- C20 H16 B F6 N4 V -","- C40 H32 B2 F12 N8 V2 -","2","1","LH6496","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Racemic <i>cis</i>-bis(2,2'-bipyridyl)difluorovanadium(III) tetrafluoroborate","Acta Crystallographica Section E","2005","61","10","m1965","m1967","10.1107/S1600536805028060","","","0.71073","MoKα","","0.0566","0.048","","","0.1286","0.1332","","","","","","1.174","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207009","9.7112","0.0019","13.589","0.003","10.711","0.002","90","","107.362","0.004","90","","1349.1","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-phenyl-3-thioxo-1,2,4-triazolidin-1-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone","","- C12 H12 N6 O S -","- C12 H12 N6 O S -","- C48 H48 N24 O4 S4 -","4","1","LH6499","Xu, Liang-Zhong; Yu, Guan-Ping; Huang, Yong-Wei; Si, Guo-Dong; Li, Kai","1-(4-Phenyl-3-thioxo-1,2,4-triazolidin-1-yl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone","Acta Crystallographica Section E","2005","61","10","o3403","o3404","10.1107/S1600536805029867","","","0.71073","MoKα","","0.1025","0.0448","","","0.0945","0.1156","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207010","10.363","0.002","10.438","0.002","11.45","0.002","64.66","0.01","80.87","0.02","69.07","0.01","1045.5","0.4","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N2 O5 Pd -","- C24 H20 N2 O5 Pd -","- C48 H40 N4 O10 Pd2 -","2","1","LH6500","Okabe, Nobuo; Muranishi, Yasunori; Odoko, Mamiko","(1,1-Cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate","Acta Crystallographica Section E","2005","61","10","m2060","m2062","10.1107/S160053680502965X","","","0.7107","MoKα","","","0.0268","","","","0.0753","","","","","","1.223","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2207011","9.7231","0.0004","11.789","0.0003","11.1187","0.0004","90","","97.363","0.002","90","","1263.98","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Nitrophenyl 2-iodobenzoate","","- C13 H8 I N O4 -","- C13 H8 I N O4 -","- C52 H32 I4 N4 O16 -","4","1","LH6502","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","4-Nitrophenyl 2-iodobenzoate: sheets built from C—H···O hydrogen bonds and two-centre iodo‒nitro interactions","Acta Crystallographica Section E","2005","61","10","o3334","o3336","10.1107/S1600536805029272","","","0.71073","MoKα","","0.0325","0.0262","","","0.0548","0.0575","","","","","","1.095","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207012","8.3","0.007","12.223","0.009","13.964","0.01","81.108","0.013","86.415","0.012","79.596","0.013","1375.7","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Tetra-aqua-bis[2,3-bis(5-methyl-1,3,4-thiadiazole-2- thiomethyl)quinoxaline]-nickel(II) diperchlorate diacetone solvate","","- C38 H48 Cl2 N12 Ni O14 S8 -","- C38 H48 Cl2 N12 Ni O14 S8 -","- C38 H48 Cl2 N12 Ni O14 S8 -","1","0.5","LH6503","Xie, Ya-Bo; Wang, Xiang-Jie; Wang, Dao","Tetraaquabis[2,3-bis(5-methyl-1,3,4-thiadiazol-2-ylsulfanylmethyl)quinoxaline]nickel(II) bis(perchlorate) acetone disolvate","Acta Crystallographica Section E","2005","61","10","m2086","m2087","10.1107/S1600536805029892","","","0.71073","MoKα","","0.1328","0.0631","","","0.0906","0.1112","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207013","30.224","0.002","4.8017","0.0003","8.7257","0.0006","90","","90","","90","","1266.33","0.14","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Nitrosalicylaldehyde benzoylhydrazone","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","LH6505","Ali, Hapipah M.; Puvaneswary, Subramaniam; Ng, Seik Weng","5-Nitrosalicylaldehyde benzoylhydrazone","Acta Crystallographica Section E","2005","61","10","o3464","o3465","10.1107/S1600536805030497","","","0.71073","MoKα","","0.053","0.035","","","0.088","0.113","","","","","","1.17","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207014","7.6183","0.0015","10.714","0.002","12.039","0.002","90","","105.661","0.004","90","","946.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl(η^5^-1-carboxycyclopentadienyl)methyliron(II)","","- C9 H8 Fe O4 -","- C9 H8 Fe O4 -","- C36 H32 Fe4 O16 -","4","1","LH6507","Bala, Muhammad D.; Munyaneza, Apollinaire; Coville, Neil J.","Dicarbonyl(η^5^-1-carboxycyclopentadienyl)methyliron(II)","Acta Crystallographica Section E","2005","61","10","m2124","m2126","10.1107/S1600536805030473","","","0.71073","MoKα","","0.03","0.0246","","","0.0674","0.0695","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207015","10.116","0.002","11.045","0.003","11.239","0.003","100.554","0.004","110.267","0.004","115.736","0.004","975","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","1-[(Z)-3-Ferrocenyl-1-(4-fluorophenyl)-1-methoxyprop-2-en-2-yl]- 1H-1,2,4-triazole","","- C22 H20 F Fe N3 O -","- C22 H20 F Fe N3 O -","- C44 H40 F2 Fe2 N6 O2 -","2","1","LH6508","Liu, Jian-Bing; Dai, Hong; Li, Li-Chun; Tao, Wei-Feng; Fang, Jian-Xin","1-[(<i>Z</i>)-3-Ferrocenyl-1-(4-fluorophenyl)-1-methoxyprop-2-en-2-yl]-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2005","61","10","m2166","m2168","10.1107/S1600536805030898","","","0.71073","MoKα","","0.07","0.0422","","","0.0867","0.0988","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207016","22.5587","0.0011","11.8751","0.0004","19.2336","0.0011","90","","112.057","0.004","90","","4775.3","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,11,17,23-Tetranitro-25,26,27,28-tetrapentyloxycalix[4]arene","","- C48 H60 N4 O12 -","- C48 H60 N4 O12 -","- C192 H240 N16 O48 -","4","0.5","LH6509","Vysotsky, Myroslav O.; Böhmer, Volker; Bru Roig, Miriam; Bolte, Michael","5,11,17,23-Tetranitro-25,26,27,28-tetrapentyloxycalix[4]arene","Acta Crystallographica Section E","2005","61","10","o3526","o3528","10.1107/S1600536805030862","","","0.71073","MoKα","","0.0948","0.0824","","","0.236","0.2472","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207017","7.5961","0.0013","11.6988","0.0012","11.8222","0.0015","90","","90.063","0.012","90","","1050.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N^9^,N^7^-Dimethylhypoxanthinium iodide","","- C7 H9 I N4 O -","- C7 H9 I N4 O -","- C28 H36 I4 N16 O4 -","4","1","NC6045","Nasiri, Hamid Reza; Schwalbe, Harald; Bolte, Michael; Wöhnert, Jens","<i>N</i>^9^,<i>N</i>^7^-Dimethylhypoxanthinium iodide","Acta Crystallographica Section E","2005","61","10","o3353","o3354","10.1107/S1600536805029375","","","0.71073","MoKα","","0.0567","0.0419","","","0.1011","0.1078","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207018","9.9452","0.0003","9.9452","","22.581","0.002","90","","90","","90","","2233.4","0.2","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Bis[2-(benzimidazol-2-yl)phenolato-κ^2^N,O] cobalt(II)","","- C26 H18 Co N4 O2 -","- C26 H18 Co N4 O2 -","- C104 H72 Co4 N16 O8 -","4","0.5","NG6183","Bu, Huai-Yu; Liu, Yong-Jun; Liu, Qing-Fang; Jia, Jing-Fen","Bis[2-(benzimidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(II)","Acta Crystallographica Section E","2005","61","10","m1986","m1987","10.1107/S1600536805028084","","","0.71073","MoKα","","0.0519","0.044","","","0.111","0.1144","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207019","11.0814","0.0013","11.95","0.0014","14.2178","0.0017","103.038","0.002","100.388","0.002","103.746","0.001","1726.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(hexane-1,6-diaminium) di-μ~5~-hydrogenphosphato-penta-μ~2~-oxo-pentakis[dioxomolybdenum(VI)] dihydrate","","- C12 H42 Mo5 N4 O25 P2 -","- C12 H42 Mo5 N4 O25 P2 -","- C24 H84 Mo10 N8 O50 P4 -","2","1","NG6184","Fang, Rui-Qin; Zhang, Xian-Ming","Bis(hexane-1,6-diaminium) di-μ~5~-hydrogenphosphato-penta-μ~2~-oxo-pentakis[dioxomolybdenum(VI)] dihydrate","Acta Crystallographica Section E","2005","61","10","m1933","m1934","10.1107/S1600536805027686","","","0.71073","MoKα","","0.0231","0.0211","","","0.0509","0.0519","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207020","13.3866","0.0017","7.3166","0.0007","8.0595","0.001","90","","112.503","0.003","90","","729.28","0.15","193","2","193","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","catena-Poly[[bis(N,N-dimethylformamide-κO)nickel(II)]-di- μ-1,5-dicyanamido-κN^1^:κN^5^]","","- C10 H14 N8 Ni O2 -","- C10 H14 N8 Ni O2 -","- C20 H28 N16 Ni2 O4 -","2","0.25","NG6186","Xiao-Ping Shen; Ai-Hua Yuan","<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]-di-μ-1,5-dicyanamido-κ<i>N</i>^1^:κ<i>N</i>^5^]","Acta Crystallographica Section E","2005","61","10","m1937","m1939","10.1107/S1600536805027674","","","0.71073","MoKα","","0.0228","0.0225","","","0.0614","0.0617","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207021","7.4257","0.0012","17.214","0.002","12.028","0.002","90","","106.863","0.007","90","","1471.4","0.4","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aqua(piperazin-1-ium-κN^4^)copper(II)]-μ-5- sulfonatoisophthalato-κO^1^:κO^3^]","","- C12 H16 Cu N2 O8 S -","- C12 H16 Cu N2 O8 S -","- C48 H64 Cu4 N8 O32 S4 -","4","1","NG6189","Qing-Yan Liu; Li Xu","<i>catena</i>-Poly[[aqua(piperazin-1-ium-κ<i>N</i>^4^)copper(II)]-μ-5-sulfonatoisophthalato-κ<i>O</i>^1^:κ<i>O</i>^3^]","Acta Crystallographica Section E","2005","61","10","m1972","m1974","10.1107/S1600536805028266","","","0.71073","MoKα","","0.0948","0.0653","","","0.1315","0.1445","","","","","","1.002","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207022","8.1081","0.0004","16.0311","0.0008","8.9223","0.0004","90","","94.202","0.001","90","","1156.62","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[1-(2,6-dimethylanilino)propane-1,2-dione dioximato]nickel(II)","","- C22 H28 N6 Ni O4 -","- C22 H28 N6 Ni O4 -","- C44 H56 N12 Ni2 O8 -","2","0.5","NG6197","Batı, Hümeyra; Zülfikaroğlu, Ayşin; Taş, Murat; Andac, Omer; Harrison, William T. A.","Bis[1-(2,6-dimethylanilino)propane-1,2-dione dioximato]nickel(II)","Acta Crystallographica Section E","2005","61","10","m2033","m2035","10.1107/S1600536805028965","","","0.71073","MoKα","","0.0546","0.0339","","","0.0849","0.0934","","","","","","0.976","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207023","18.334","0.0008","12.0404","0.0005","19.1304","0.0008","90","","90","","90","","4223","0.3","223","2","223","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","catena-Poly[[bis(O,O'-dicyclohexyl dithiophosphato-κ^2^,S,S')zinc(II)]- μ-1,2-bis(4-pyridylmethylene)hydrazine-κ^2^N:N']","","- C36 H54 N4 O4 P2 S4 Zn -","- C36 H54 N4 O4 P2 S4 Zn -","- C144 H216 N16 O16 P8 S16 Zn4 -","4","0.5","NG6201","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-dicyclohexyldithiophosphato-κ^2^,<i>S</i>,<i>S</i>')zinc(II)]-μ-1,2-bis(4-pyridylmethylene)hydrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2005","61","10","m2052","m2054","10.1107/S1600536805029466","","","0.71069","MoKα","","0.073","0.057","","","0.128","0.137","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207024","12.417","0.003","10.152","0.003","14.541","0.005","90","","109.492","0.005","90","","1727.9","0.9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl2 N2 Pd S2 -","- C17 H12 Cl2 N2 Pd S2 -","- C68 H48 Cl8 N8 Pd4 S8 -","4","1","NG6202","Song, Rui-Feng; Liu, Jia-Hui; Qian, Hui; Zhao, Kai-Yuan","Dichloro[8-(1,3-benzothiazol-2-ylsulfanylmethyl)quinoline-κ<i>N</i>,<i>N</i>']palladium(II)","Acta Crystallographica Section E","2005","61","10","m2142","m2144","10.1107/S1600536805030096","","","0.7107","MoKα","","0.0246","0.0234","","","0.0581","0.0588","","","","","","1.105","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207025","10.547","0.002","12.804","0.003","11.195","0.002","90","","104.08","0.03","90","","1466.4","0.5","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1-Ferrocenyl-3-hydroxyl-3-[(2-pyridyl)]prop-2-en-1-one","","- C18 H15 Fe N O2 -","- C18 H15 Fe N O2 -","- C72 H60 Fe4 N4 O8 -","4","1","NG6204","Yao-Cheng Shi; Hong-Jian Cheng","(<i>Z</i>)-1-Ferrocenyl-3-hydroxy-3-(2-pyridyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","10","m2139","m2141","10.1107/S1600536805030102","","","0.71073","MoKα","","0.0626","0.0386","","","0.1016","0.1299","","","","","","1.097","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207026","16.4609","0.001","17.6108","0.0011","13.8677","0.0009","90","","90","","90","","4020.1","0.4","292","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","N,N'-Bis(benzimidazol-1-ium-2-ylmethyl)-N,N'-bis(benzimidazol-2- ylmethyl)cyclohexane-1,2-trans-diamine bis(perchlorate) dihydrate","","- C38 H44 Cl2 N10 O10 -","- C38 H44 Cl2 N10 O10 -","- C152 H176 Cl8 N40 O40 -","4","0.5","OB6538","Li, Ji; Meng, Xiang-Gao; Liao, Zhan-Ru","<i>N</i>,<i>N</i>'-Bis(benzimidazol-1-ium-2-ylmethyl)-<i>N</i>,<i>N</i>'-bis(benzimidazol-2-ylmethyl)cyclohexane-1,2-<i>trans</i>-diamine bis(perchlorate) dihydrate","Acta Crystallographica Section E","2005","61","10","o3421","o3423","10.1107/S1600536805022865","","","0.71073","MoKα","","0.0675","0.0587","","","0.1657","0.1739","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207027","31.62","0.008","10.443","0.003","20.993","0.005","90","","116.931","0.004","90","","6180","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-trans-1,4-cis-1,2-Bis(2,4-dichlorophenyl)-1,2,3,3a,8,8a- hexahydrobenzo[e]pentalene-3-spiro-2'-indan-3a,1'-diol acetone solvate","","- C35 H30 Cl4 O3 -","- C35 H30 Cl4 O3 -","- C280 H240 Cl32 O24 -","8","1","OB6560","Da-Qing Shi; Zheng-Yi Li; Chun-Ling Shi; Guo-Lan Dou","1,3-<i>trans</i>-1,4-<i>cis</i>-1,2-Bis(2,4-dichlorophenyl)-1,2,3,3a,8,8a-hexahydrobenzo[<i>e</i>]pentalene-3-spiro-2'-indan-3a,1'-diol acetone solvate","Acta Crystallographica Section E","2005","61","10","o3219","o3221","10.1107/S1600536805028114","","","0.71073","MoKα","","0.1286","0.0562","","","0.127","0.1698","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207028","7.3546","0.0005","23.7901","0.0017","7.4919","0.0005","90","","108.738","0.006","90","","1241.36","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-6-[(1-napthylamino)methylene]cyclohexa-2,4-dien-1-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","OB6563","Özek, Arzu; Yüce, Süheyla; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","2-Hydroxy-6-[(1-napthylamino)methylene]cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2005","61","10","o3179","o3181","10.1107/S1600536805027546","","","0.71073","MoKα","","0.0758","0.0458","","","0.1005","0.111","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207029","14.026","0.003","11.12","0.002","14.491","0.003","90","","99.349","0.009","90","","2230.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,5-Bis(4-tert-butylphenyl)-3,4-dinitrothiophene","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C96 H104 N8 O16 S4 -","4","1","OB6565","Ping-Hsin Huang; Yu-Da Cheng; Yuh-Sheng Wen; Ming-Chang P. Yeh; Jiann T. Lin","2,5-Bis(4-<i>tert</i>-butylphenyl)-3,4-dinitrothiophene","Acta Crystallographica Section E","2005","61","10","o3168","o3169","10.1107/S1600536805026097","","","0.71073","MoKα","","0.0341","0.0302","","","0.0742","0.0772","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207030","9.239","0.002","7.3884","0.0015","15.649","0.003","90","","92.329","0.003","90","","1067.3","0.4","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3,4-trimethoxy-6-methylbenzaldehyde","","- C11 H14 O4 -","- C11 H14 O4 -","- C44 H56 O16 -","4","1","OB6571","Wu-Jun Zhang; Ming Lu; Da-Chang Li; Chun-Bao Li","2,3,4-Trimethoxy-6-methylbenzaldehyde","Acta Crystallographica Section E","2005","61","10","o3222","o3223","10.1107/S1600536805027273","","","0.71073","MoKα","","0.0746","0.0406","","","0.1024","0.1193","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207031","8.0524","0.0016","19.884","0.004","8.1541","0.0016","90","","116.57","0.03","90","","1167.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(pyrimidin-2-ylsulfanyl)ethane","","- C10 H10 N4 S2 -","- C10 H10 N4 S2 -","- C40 H40 N16 S8 -","4","1","OB6574","Xie, Chuang; Zhou, Li-Na; Hou, Bao-Hong; Wang, Jing-Kang; Chen, Wei","1,2-Bis(pyrimidin-2-ylsulfanyl)ethane","Acta Crystallographica Section E","2005","61","10","o3174","o3175","10.1107/S1600536805027558","","","0.71073","MoKα","","0.1139","0.0878","","","0.2786","0.3067","","","","","","1.017","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207032","14.873","0.0014","7.9521","0.0008","23.763","0.002","90","","90","","90","","2810.5","0.5","292","2","292","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2RS,3SR)-Diethyl 2,3-bis(3,4,5-trimethoxybenzoyl)succinate","","- C28 H34 O12 -","- C28 H34 O12 -","- C112 H136 O48 -","4","1","OB6575","Meng, Xiang-Gao; Wu, An-Xin","(2<i>RS</i>,3<i>SR</i>)-Diethyl 2,3-bis(3,4,5-trimethoxybenzoyl)succinate","Acta Crystallographica Section E","2005","61","10","o3117","o3118","10.1107/S1600536805027285","","","0.71073","MoKα","","0.0679","0.0481","","","0.1142","0.1248","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207033","7.4789","0.0014","7.6632","0.0014","14.374","0.003","90","","91.754","0.004","90","","823.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","18-crown-6 ammoniate","1,4,7,10,13,16-Hexaoxacyclooctadecane‒ammonia (1/2)","","- C12 H30 N2 O6 -","- C12 H30 N2 O6 -","- C24 H60 N4 O12 -","2","0.5","OB6577","Nuss, Hanne; Jansen, Martin","1,4,7,10,13,16-Hexaoxacyclooctadecane‒ammonia (1/2)","Acta Crystallographica Section E","2005","61","10","o3142","o3144","10.1107/S1600536805027364","","","0.71073","MoKα","","0.075","0.0483","","","0.1109","0.1233","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207034","10.341","0.002","11.867","0.002","14.409","0.003","90.62","0.02","92.68","0.02","91.03","0.02","1765.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-4,6-diphenyl-4H-1,3-oxazinium trifluoroacetate","","- C18 H15 F3 N2 O3 -","- C18 H15 F3 N2 O3 -","- C72 H60 F12 N8 O12 -","4","2","OB6578","Shen-Lin Huang; Cui-Rong Sun","2-Amino-4,6-diphenyl-4<i>H</i>-1,3-oxazinium trifluoroacetate","Acta Crystallographica Section E","2005","61","10","o3149","o3151","10.1107/S1600536805027376","","","0.71073","MoKα","","0.0891","0.0447","","","0.1043","0.115","","","","","","0.942","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207035","6.714","0.003","8.63","0.004","11.403","0.004","98.64","0.011","102.57","0.02","102.911","0.012","614.7","0.5","296","1","","","","","","","","","","5","P -1","-P 1","2","","4-(3-Methylanilino)pyridine-3-sulfonamide","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C24 H26 N6 O4 S2 -","2","1","OB6579","Gu-Ping Tang; Jian-Ming Gu","4-(3-Methylanilino)pyridine-3-sulfonamide","Acta Crystallographica Section E","2005","61","10","o3140","o3141","10.1107/S1600536805027388","","","0.71069","MoKα","","","0.0696","","","","0.1796","","","","","","1.002","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207036","8.5045","0.001","8.5868","0.001","9.085","0.0011","80.306","0.002","75.645","0.002","75.245","0.002","617.6","0.13","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","(2RS,3SR)-Diethyl 2,3-bis(3,4-dimethoxybenzoyl)succinate","","- C26 H30 O10 -","- C26 H30 O10 -","- C26 H30 O10 -","1","0.5","OB6580","Wang, Zhi-Guo; Chen, Ai-Hua; Hu, Sheng-Li; Wu, An-Xin","(2<i>RS</i>,3<i>SR</i>)-Diethyl 2,3-bis(3,4-dimethoxybenzoyl)succinate","Acta Crystallographica Section E","2005","61","10","o3172","o3173","10.1107/S160053680502756X","","","0.71073","MoKα","","0.0509","0.0455","","","0.1263","0.1325","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207037","11.709","0.003","10.306","0.002","14.847","0.006","90","","103.36","0.03","90","","1743.1","0.9","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","10-(3,4-Dimethoxybenzylidene)anthrone","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","OB6581","Wei Zhou; Weixiao Hu; Chunnian Xia","10-(3,4-Dimethoxybenzylidene)anthrone","Acta Crystallographica Section E","2005","61","10","o3433","o3434","10.1107/S1600536805028278","","","0.71073","MoKα","","0.0899","0.0353","","","0.0891","0.1096","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207038","11.5465","0.0006","8.9066","0.0004","11.9102","0.0006","90","","116.112","0.002","90","","1099.83","0.1","293","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Phenyl 1,3-thiazolidine-2-thione-3-carboxylate","","- C10 H9 N O2 S2 -","- C10 H9 N O2 S2 -","- C40 H36 N4 O8 S8 -","4","1","OB6582","Jian-Quan Weng; De-Long Shen; Cheng-Xia Tang","Phenyl 2-thioxo-1,3-thiazolidine-3-carboxylate","Acta Crystallographica Section E","2005","61","10","o3289","o3290","10.1107/S1600536805028941","","","0.7107","MoKα","","","0.068","","","","0.22","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207039","15.2031","0.0014","7.5946","0.0007","15.127","0.0014","90","","100.143","0.002","90","","1719.3","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-methyl-4-(2,3-dimethoxylphenyl)-5-cyano-6-oxo- pyridin-3-carboxylate","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","OB6584","Wang, Yu-Cheng; Wang, Xiang-Shan; Zeng, Zhao-Sen; Shi, Da-Qing","Ethyl 5-cyano-4-(2,3-dimethoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate","Acta Crystallographica Section E","2005","61","10","o3261","o3263","10.1107/S1600536805028679","","","0.71073","MoKα","","0.0622","0.0466","","","0.1299","0.1372","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207040","16.659","0.003","5.1494","0.0009","13.916","0.002","90","","113.821","0.003","90","","1092.1","0.3","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Fluoro-3-phenoxybenzoic acid","","- C13 H9 F O3 -","- C13 H9 F O3 -","- C52 H36 F4 O12 -","4","1","OB6585","Chopra, Deepak; Mohan, T. P.; Sreedhar, K. S.; Guru Row, T. N.","4-Fluoro-3-phenoxybenzoic acid","Acta Crystallographica Section E","2005","61","10","o3228","o3229","10.1107/S160053680502831X","","","0.71073","MoKα","","0.0776","0.0686","","","0.1541","0.1594","","","","","","1.245","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207041","7.7779","0.0012","8.2973","0.0013","16.883","0.003","87.899","0.003","79.054","0.003","70.276","0.003","1006.5","0.3","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid","","- C19 H18 N4 O8 -","- C19 H18 N4 O8 -","- C38 H36 N8 O16 -","2","1","OB6586","Chopra, Deepak; Mohan, T.P.; Vishalakshi, B.; Guru Row, T. N.","2,6-Bis(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid","Acta Crystallographica Section E","2005","61","10","o3281","o3282","10.1107/S160053680502859X","","","0.71073","MoKα","","0.1049","0.0652","","","0.1339","0.1582","","","","","","1.137","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207042","12.0711","0.0018","10.0544","0.0015","15.751","0.002","90","","102.39","0.003","90","","1867.1","0.5","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,9-bis(methoxycarbonylethyl)fluorene","","- C21 H22 O4 -","- C21 H22 O4 -","- C84 H88 O16 -","4","1","OB6587","Hu, Wei-Bing; Liu, Hong-Xia; Tian, Da-Ting; Liu, Cheng-Mei; Liu, Zu-Li","9,9-Bis(methoxycarbonylethyl)fluorene","Acta Crystallographica Section E","2005","61","10","o3346","o3348","10.1107/S1600536805029351","","","0.71073","MoKα","","0.0844","0.06","","","0.1672","0.1873","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207043","6.8307","0.0006","13.5005","0.0007","7.6421","0.0007","90","","94.888","0.003","90","","702.18","0.1","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","fac-Trichloro(pyrazolato)bis(pyrazole)platinum(IV)","","- C9 H11 Cl3 N6 Pt -","- C9 H11 Cl3 N6 Pt -","- C18 H22 Cl6 N12 Pt2 -","2","0.5","OB6588","Khripun, Anatoly V.; Haukka, Matti; Nikolaeva, Dina N.; Kukushkin, Vadim Yu.","<i>fac</i>-Trichloro(pyrazolato)bis(pyrazole)platinum(IV)","Acta Crystallographica Section E","2005","61","10","m2069","m2071","10.1107/S1600536805029661","","","0.71073","MoKα","","0.0342","0.0307","","","0.0776","0.0808","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207044","9.1011","0.0006","5.7856","0.0008","21.4502","0.001","90","","100.557","0.005","90","","1110.35","0.18","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Diphenylarsino-1-(diphenylphosphino)ethane","","- C26 H24 As P -","- C26 H24 As P -","- C52 H48 As2 P2 -","2","0.5","OB6589","Shawkataly, Omar bin; Chong, Mei-Lin; Fun, Hoong-Kun; Didierjean, Claude; Aubry, Andrε'","2-Diphenylarsino-1-(diphenylphosphino)ethane","Acta Crystallographica Section E","2005","61","10","o3351","o3352","10.1107/S1600536805029545","","","0.71073","MoKα","","","0.039","","","","0.0961","","","","","","0.946","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207045","12.2069","0.0011","22.302","0.002","17.83","0.0016","90","","91.049","0.002","90","","4853.2","0.8","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,3-(bis(diphenylphosphino)propane bis(diphenylphosphino)amine platinum(II) chloride","","- C52 H49 Cl4 N P4 Pt -","- C52 H49 Cl4 N P4 Pt -","- C208 H196 Cl16 N4 P16 Pt4 -","4","1","OM6258","İri̇şli̇, Sevi̇l; Şen, Ayten","[Bis(diphenylphosphino)amine-κ^2^<i>P</i>,<i>P</i>'][1,3-bis(diphenylphosphino)propane-κ^2^<i>P</i>,<i>P</i>']platinum(II) dichloride dichloromethane solvate","Acta Crystallographica Section E","2005","61","10","m2097","m2099","10.1107/S1600536805029880","","","0.71073","MoKα","","0.0702","0.0554","","","0.0965","0.1015","","","","","","1.136","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207046","8.689","0.0011","9.7518","0.0013","10.2035","0.0013","116.398","0.002","99.417","0.002","97.919","0.002","741.99","0.17","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H18 Cu F6 N4 O4 S2 -","- C28 H18 Cu F6 N4 O4 S2 -","- C28 H18 Cu F6 N4 O4 S2 -","1","0.5","OM6259","Perkins, William J.; Maxwell, Tamara; Goforth, Andrea M.; Smith, Mark D.; Peterson Jr, LeRoy; zur Loye, Hans-Conrad","<i>catena</i>-Poly[[bis(α-thenoyltrifluoroacetonato)copper(II)]-μ-1,4-di-4-pyridyl-2,3-diazabuta-1,3-diene]","Acta Crystallographica Section E","2005","61","10","m2047","m2049","10.1107/S1600536805028631","","","0.71073","MoKα","","0.037","0.036","","","0.0937","0.0946","","","","","","1.069","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207047","19.5053","0.0016","14.0326","0.0012","20.2636","0.0017","90","","90","","90","","5546.4","0.8","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","N,N'-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachlorocobaltate(II)","","- C8 H18 Cl4 Co N2 -","- C8 H18 Cl4 Co N2 -","- C128 H288 Cl64 Co16 N32 -","16","2","OM6260","Qu, Yang; Sun, Xian-Ming","<i>N</i>,<i>N</i>'-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachlorocobaltate(II)","Acta Crystallographica Section E","2005","61","10","m2121","m2123","10.1107/S160053680503045X","","","0.71073","MoKα","","0.0475","0.0351","","","0.0819","0.0884","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207048","21.7982","0.0005","11.3347","0.0004","21.4881","0.0008","90","","118.189","0.002","90","","4679.5","0.3","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis(tert-butyl isocyanide-2κC)dichloro-1κCl,3κCl-di-μ-cyano-1:3κ^2^N:C;2:3κ^2^C:N- bis[1,3(η^4^)-cycloocta-1,5-diene)dirhodium(I)ruthenium(II)","","- C38 H60 Cl2 N6 Rh2 Ru -","- C38 H60 Cl2 N6 Rh2 Ru -","- C152 H240 Cl8 N24 Rh8 Ru4 -","4","0.5","OM6262","Imhof, Wolfgang; Halbauer, Kathi; Görls, Helmar","Tetrakis(<i>tert</i>-butyl isocyanide-2κ<i>C</i>)dichloro-1κ<i>Cl</i>,3κ<i>Cl</i>-di-μ-cyano-1κ<i>N</i>:2κ<i>C</i>;2κ<i>C</i>:3κ<i>N</i>-bis[1,3(η^4^)-cycloocta-1,5-diene]dirhodium(I)ruthenium(II)","Acta Crystallographica Section E","2005","61","10","m2130","m2132","10.1107/S1600536805030461","","","0.71073","MoKα","","0.0598","0.0387","","","0.0969","0.1072","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2207049","7.4272","0.001","11.0766","0.0014","13.6124","0.0017","110.095","0.002","99.798","0.002","104.067","0.002","979.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","5-Methyl-2-phenyl-4-[(Z)-4-(tolylamino)phenylmethylene]pyrazol-3(2H)-one","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C48 H42 N6 O2 -","2","1","RN6061","Ma, Rong-Ming","3-Methyl-1-phenyl-4-[(<i>Z</i>)-phenyl(<i>p-</i>tolylamino)methylene]-1<i>H-</i>pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2005","61","10","o3264","o3265","10.1107/S1600536805026656","","","0.71073","MoKα","","0.0578","0.0398","","","0.1081","0.1214","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207050","8.2076","0.0008","10.4721","0.0011","10.7474","0.0011","97.328","0.002","108.678","0.002","110.504","0.002","789.18","0.14","292","2","292","2","","","","","","","","7","P -1","-P 1","2","dipiperazinium heptachloro-triiododibismuthate","Bis(piperazinium) di-μ-chloro-pentachloro-triiododibismuthate","","- C8 H32 Bi2 Cl7 I3 N4 O4 -","- C8 H32 Bi2 Cl7 I3 N4 O4 -","- C8 H32 Bi2 Cl7 I3 N4 O4 -","1","0.5","RN6062","Ping-Fan Wu; Xiang-Gao Meng; Wen-Jia Chen; Dong-Sheng Li; Yong-Ge Wei","Bis(piperazinium) di-μ-chloro-pentachlorotriiododibismuthate(III) tetrahydrate","Acta Crystallographica Section E","2005","61","10","m2133","m2135","10.1107/S1600536805030424","","","0.71073","MoKα","","0.0487","0.0463","","","0.129","0.1316","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207051","9.487","0.004","11.537","0.005","13.007","0.005","99.162","0.006","109.646","0.006","100.661","0.005","1279.4","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Diaquabis(1,10-phenanthroline-κ^2^N,N')cadmium(II) pentafluoride-oxide niobate","","- C24 H20 Cd F5 N4 Nb O3 -","- C24 H20 Cd F5 N4 Nb O3 -","- C48 H40 Cd2 F10 N8 Nb2 O6 -","2","1","RN6066","Zhu, Gang; Tang, Zongxun","Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) pentafluorooxoniobate(V)","Acta Crystallographica Section E","2005","61","10","m2118","m2120","10.1107/S1600536805030394","","","0.71073","MoKα","","0.0497","0.0337","","","0.0805","0.0924","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207052","10.693","0.005","12.896","0.006","17.673","0.008","90","","90.871","0.009","90","","2436.8","1.9","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5,3',5'-Tetramethyl-N,N'-bis(salicylidene)biphenyl-4,4'-diamine","","- C30 H28 N2 O2 -","- C30 H28 N2 O2 -","- C120 H112 N8 O8 -","4","1","RZ6110","Xu, Li; Kim, Youngmee; Kim, Sung-Jin","3,5,3',5'-Tetramethyl-<i>N</i>,<i>N</i>'-bis(salicylidene)biphenyl-4,4'-diamine","Acta Crystallographica Section E","2005","61","10","o3344","o3345","10.1107/S1600536805029260","","","0.71073","MoKα","","0.1702","0.0643","","","0.1323","0.1734","","","","","","0.928","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207053","8.569","0.0018","6.3333","0.0013","23.34","0.005","90","","91.532","0.004","90","","1266.2","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2,4-Dinitrophenyl)-N'-(2-pyridylmethylene)hydrazine","pyridine-2-carbaldehyde 2,4-dinitrophenylhydrazone","","- C12 H9 N5 O4 -","- C12 H9 N5 O4 -","- C48 H36 N20 O16 -","4","1","RZ6111","Ming Yu; Zhi Fan; Zuo-Liang Jing; Xin Chen; Chun-Hua Diao; Qi-Liang Deng","<i>N</i>-(2,4-Dinitrophenyl)-<i>N</i>'-(2-pyridylmethylene)hydrazine","Acta Crystallographica Section E","2005","61","10","o3342","o3343","10.1107/S160053680502934X","","","0.71073","MoKα","","0.081","0.0401","","","0.0951","0.1177","","","","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207054","10.5812","0.0003","12.9766","0.0004","17.5935","0.0005","90","","95.863","0.001","90","","2403.09","0.12","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(2-chlorophenyl)-1-nitroso-3,5-diphenylpiperidin-4-one","","- C29 H22 Cl2 N2 O2 -","- C29 H22 Cl2 N2 O2 -","- C116 H88 Cl8 N8 O8 -","4","1","RZ6112","J. Suresh; V. P. Alex Raja; S. Natarajan; S. Perumal; A. Mostad; R. V. Krishnakumar","2,6-Bis(2-chlorophenyl)-1-nitroso-3,5-diphenylpiperidin-4-one","Acta Crystallographica Section E","2005","61","10","o3391","o3393","10.1107/S1600536805029569","","","0.71073","MoKα","","0.0428","0.0341","","","0.0902","0.0977","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207055","4.5955","0.0002","11.4301","0.0004","14.8292","0.0006","74.1696","0.0012","83.0827","0.0014","80.8197","0.0013","737.36","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","N-Pyridin-3-ylmethylene-N-[5-(pyridine-3-ylmethyl sulfanyl)-[1,3,4]thiadiazol-2-yl]-hydrazine'","","- C14 H12 N6 S2 -","- C14 H12 N6 S2 -","- C28 H24 N12 S4 -","2","1","RZ6113","Khoo, Teng-Jin; Cowley, Andrew R.; Watkin, David J.; Tahir, M. Ibrahim M.; Crouse, Karen A.","<i>N</i>-(3-Pyridylmethylene)-<i>N</i>'-[5-(3-pyridylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]hydrazine","Acta Crystallographica Section E","2005","61","10","o3414","o3415","10.1107/S1600536805030035","","","0.71073","MoKα","","0.0795","0.0434","","0.0599","0.0493","0.0493","","","","","","1.0733","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207056","15.8702","0.0011","12.9262","0.0011","13.9436","0.0011","90","","109.468","0.003","90","","2696.9","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquapentakis(1H-imidazole-κN3)nickel(II) dibromosuccinate","","- C19 H24 Br2 N10 Ni O5 -","- C19 H24 Br2 N10 Ni O5 -","- C76 H96 Br8 N40 Ni4 O20 -","4","0.5","RZ6115","Dai-Xi Li; Ying-Jue Shen; Yuan Xiao; Le Sun; Juan Wang; Ze-Zhao Hua","Aquapentakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) dibromosuccinate","Acta Crystallographica Section E","2005","61","10","m2145","m2147","10.1107/S1600536805030084","","","0.71073","MoKα","","0.0757","0.0496","","","0.1444","0.1555","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207057","16.136","0.002","12.752","0.002","17.771","0.002","90","","99.486","0.001","90","","3606.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cl5 Co N4 O6 -","- C32 H42 Cl5 Co N4 O6 -","- C128 H168 Cl20 Co4 N16 O24 -","4","1","RZ6117","Yuan, Chun-Lan","<i>trans</i>-Bis{2,4-dichloro-6-[(3-cyclohexylaminopropylimino)methyl]phenolato}cobalt(III) perchlorate","Acta Crystallographica Section E","2005","61","10","m2112","m2114","10.1107/S1600536805030345","","","0.71073","MoKα","","0.0951","0.0734","","","0.1503","0.1604","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207058","13.0319","0.0007","8.4862","0.0004","14.4047","0.0009","90","","110.539","0.003","90","","1491.77","0.14","291","1","291","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rac-(1S,11S,15S)-1-Hydroxymethylbicyclo[9.3.1]pentadecan-15-ol","","- C16 H30 O2 -","- C16 H30 O2 -","- C64 H120 O8 -","4","1","RZ6120","Fresu, Sonia; Müller, Kai-Sven; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","<i>rac</i>-(1<i>S</i>,11<i>S</i>,15<i>S</i>)-1-Hydroxymethylbicyclo[9.3.1]pentadecan-15-ol","Acta Crystallographica Section E","2005","61","10","o3440","o3441","10.1107/S1600536805030527","","","0.71073","MoKα","","0.0704","0.0361","","","0.0839","0.0899","","","","","","0.895","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207059","8.3335","0.0009","14.9777","0.0016","11.4724","0.0012","90","","107.99","0.002","90","","1361.9","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Hydroxybenzylideneamino)-3-(1H-1,2,4-yriazol-1-ylmethyl)-1H-1,2,4- triazole-5(4H)-thione","","- C12 H11 N7 O S -","- C12 H11 N7 O S -","- C48 H44 N28 O4 S4 -","4","1","RZ6121","Zhi-Qiang Hu; Yu-Qing Shang; Guan-Ping Yu; Wei-Hua Li; Liang-Zhong Xu; Bao-Rong Hou","4-(2-Hydroxybenzylideneamino)-3-(1<i>H</i>-1,2,4-triazol-1-ylmethyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","10","o3455","o3456","10.1107/S1600536805030503","","","0.71073","MoKα","","0.0387","0.031","","","0.0803","0.0866","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207060","5.2739","0.001","9.5018","0.0017","16.56","0.003","90","","99.157","0.003","90","","819.3","0.3","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(4-methylimidazolium) chloranilate","","- C14 H14 Cl2 N4 O4 -","- C14 H14 Cl2 N4 O4 -","- C28 H28 Cl4 N8 O8 -","2","0.5","SG6025","Wang, Zi-Liang; Wei, Lin-Heng","A hydrogen-bonded supramolecular complex between the chloranilic acid dianion (CA) and the 4-methylimidazole cation","Acta Crystallographica Section E","2005","61","10","o3129","o3130","10.1107/S160053680502684X","","","0.71073","MoKα","","0.0514","0.0432","","","0.1062","0.113","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207061","8.699","0.005","12.618","0.005","11.835","0.005","90","","102.934","0.005","90","","1266.1","1","85","2","85","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","adamantane-1,2-diacetate","(±)-adamantane-1,2-diyl diacetate","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","SG6027","Myint, Mo Aung; Blackman, Allan G.; Tan, Eng Wui","(±)-Adamantane-1,2-diyl diacetate","Acta Crystallographica Section E","2005","61","10","o3154","o3155","10.1107/S1600536805027509","","","0.71069","MoKα","","0.036","0.0334","","","0.0945","0.0969","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207062","9.386","0.004","10.059","0.005","13.561","0.006","77.549","0.006","82.877","0.006","68.646","0.006","1162.9","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(3-methylmercapto-5-mercapto-1,2,4-thiadiazole)dibutyltin(IV)","","- C14 H24 N4 S6 Sn -","- C14 H24 N4 S6 Sn -","- C28 H48 N8 S12 Sn2 -","2","1","SG6028","Jun-Hong Zhang; Ru-Fen Zhang; Chun-Lin Ma; Da-Qi Wang","Dibutylbis(3-methylsulfanyl-1,2,4-thiadiazole-5-thiolato)tin(IV)","Acta Crystallographica Section E","2005","61","10","m2075","m2077","10.1107/S1600536805028710","","","0.71073","MoKα","","0.0478","0.0339","","","0.0734","0.0819","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207063","10.9568","0.0004","6.4297","0.0003","11.5999","0.0005","90","","104.816","0.002","90","","790.03","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Propane 1,2-diaminium hydrogenarsenate","","- C3 H13 As N2 O4 -","- C3 H13 As N2 O4 -","- C12 H52 As4 N8 O16 -","4","1","SG6029","Todd, Malcolm J.; Harrison, William T. A.","Propane-1,2-diaminium hydrogenarsenate","Acta Crystallographica Section E","2005","61","10","m2026","m2028","10.1107/S1600536805028722","","","0.71073","MoKα","","0.0423","0.0292","","","0.0556","0.0589","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207064","9.1429","0.0008","10.6796","0.0009","12.0826","0.0012","89.916","0.002","74.203","0.002","84.889","0.002","1130.38","0.18","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","di-m-4-aminobenzoato-bis[(4-aminobenzoato)(2,2'-diamino-4,4'- bithiazole)manganese(II)] dihydrate","","- C40 H40 Mn2 N12 O10 S4 -","- C40 H40 Mn2 N12 O10 S4 -","- C40 H40 Mn2 N12 O10 S4 -","1","0.5","SG6030","Bing-Xin Liu; Duan-Jun Xu","A dimeric manganese(II) complex bridged by 4-aminobenzoate","Acta Crystallographica Section E","2005","61","10","m2011","m2013","10.1107/S1600536805029016","","","0.71073","MoKα","","0.035","0.032","","","0.08","0.081","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207065","7.938","0.0005","9.3745","0.0004","22.734","0.0016","90","","98.219","0.005","90","","1674.37","0.17","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Isopropyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","SG6031","Al Jouari, Ghali; Kerbal, Abdelali; El Bali, Brahim; Bolte, Michael","4-Isopropyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","10","o3330","o3331","10.1107/S1600536805029028","","","0.71073","MoKα","","0.0432","0.0375","","","0.1008","0.1049","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207066","7.7961","0.0016","19.346","0.004","10.732","0.002","90","","101.78","0.03","90","","1584.5","0.6","283","2","283","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[bis[bis(1H-benzotriazole)zinc(II)]-μ~4~-benzene- 1,2,4,5-trtracarboxylato]","","- C34 H22 N12 O8 Zn2 -","- C34 H22 N12 O8 Zn2 -","- C68 H44 N24 O16 Zn4 -","2","0.5","SG6032","Zhe An; Hao Sun; Rong-Shun Wang","<i>catena</i>-Poly[bis[bis(1<i>H</i>-benzotriazole)zinc(II)]-μ~4~-benzene-1,2,4,5-tetracarboxylato], a one-dimensional coordination polymer with double chains","Acta Crystallographica Section E","2005","61","10","m2157","m2159","10.1107/S1600536805030734","","","0.71073","MoKα","","0.0502","0.037","","","0.0814","0.0864","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207067","11.1149","0.0014","12.467","0.0016","18.646","0.002","90","","99.415","0.002","90","","2549","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Phenyl-2',3',5',6',7',7a'-hexahydroindan-2-spiro-2'-1H-pyrrolizidine-3'- spiro-11'-indeno[1,2-b]quinoxaline-1,3-dione","","- C35 H25 N3 O2 -","- C35 H25 N3 O2 -","- C140 H100 N12 O8 -","4","1","SJ6126","D. Gayathri; P. G. Aravindan; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu","1'-Phenyl-2',3',5',6',7',7a'-hexahydroindan-2-spiro-2'-1<i>H</i>-pyrrolizine-3'-spiro-11'-indeno[1,2-<i>b</i>]quinoxaline-1,3-dione","Acta Crystallographica Section E","2005","61","10","o3124","o3126","10.1107/S1600536805027261","","","0.71073","MoKα","","0.0586","0.0467","","","0.1193","0.1279","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207068","8.1791","0.0005","9.2534","0.0004","31.556","0.002","90","","91.637","0.003","90","","2387.3","0.2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichlorobis[(-)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]thiazole]nickel(II)","","- C22 H24 Cl2 N4 Ni S2 -","- C22 H24 Cl2 N4 Ni S2 -","- C88 H96 Cl8 N16 Ni4 S8 -","4","2","SU6211","Javier A. Cabeza; Ignacio del Río; Gabriela Sánchez-Vega; Santiago García-Granda","Dichlorobis[(<i>S</i>)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-<i>b</i>]thiazole]nickel(II)","Acta Crystallographica Section E","2005","61","10","m1984","m1985","10.1107/S1600536805027893","","","1.5418","CuKα","","0.1032","0.0755","","","0.185","0.2448","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207069","4.939","0.001","16.595","0.003","20.254","0.004","90","","90","","90","","1660.1","0.6","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","5,7-Dibromo-N-tosylquinolin-8-amine","","- C16 H12 Br2 N2 O2 S -","- C16 H12 Br2 N2 O2 S -","- C64 H48 Br8 N8 O8 S4 -","4","1","SU6228","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","5,7-Dibromo-<i>N</i>-tosylquinolin-8-amine","Acta Crystallographica Section E","2005","61","10","o3435","o3436","10.1107/S160053680502773X","","","1.5418","CuKα","","0.0466","0.0413","","","0.1052","0.1089","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207070","8.247","0.001","7.242","0.001","11.414","0.002","90","","99.548","0.003","90","","672.25","0.17","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","butyrophenone derivative","4-tert-Butyl-γ-chlorobutyrophenone","","- C14 H19 Cl O -","- C14 H19 Cl O -","- C28 H38 Cl2 O2 -","2","0.5","SU6230","Anilkumar, H. G.; Vijay, T.; Yathirajan, H. S.; Narasimhamurthy, T.; Rathore, R. S.","4-<i>tert</i>-Butyl-γ-chlorobutyrophenone","Acta Crystallographica Section E","2005","61","10","o3332","o3333","10.1107/S1600536805028771","","","0.71073","MoKα","","0.0977","0.0651","","","0.1278","0.1402","","","","","","1.158","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207071","5.9593","0.0005","13.4318","0.0012","14.4116","0.0013","117.219","0.001","92.646","0.002","98.159","0.002","1007.32","0.15","208","1","208","1","","","","","","","","5","P -1","-P 1","2","","(Z)-1-Phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- yl)phenylamino]but-2-en-1-one","","- C22 H26 B N O3 -","- C22 H26 B N O3 -","- C44 H52 B2 N2 O6 -","2","1","TK6252","Andreas Decken; Diane A. Dickie; Paul A. Chapman; Christopher M. Vogels; Stephen A. Westcott","(<i>Z</i>)-1-Phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylamino]but-2-en-1-one","Acta Crystallographica Section E","2005","61","10","o3147","o3148","10.1107/S1600536805027455","","","0.71073","MoKα","","0.062","0.039","","","0.095","0.103","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207072","8.442","0.002","9.858","0.002","13.61","0.003","80.156","0.001","89.412","0.001","87.877","0.001","1115.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","trans-diiodotetrakis(tetrahydrofuran)calcium(II)","","- C16 H32 Ca I2 O4 -","- C16 H32 Ca I2 O4 -","- C32 H64 Ca2 I4 O8 -","2","1","TK6253","Henderson, Kenneth W.; Rood, Jeffrey A.; Noll, Bruce C.","A low-temperature investigation of <i>trans</i>-diiodotetrakis(tetrahydrofuran)calcium(II)","Acta Crystallographica Section E","2005","61","10","m2006","m2007","10.1107/S1600536805028254","","","0.71073","MoKα","","0.067","0.058","","","0.158","0.171","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207073","8.911","0.007","11.568","0.009","12.595","0.01","113.744","0.011","97.157","0.014","106.082","0.013","1100","1.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Bis(N-isopropyl-N-phenylthiocarbamoyl) disulfide","","- C20 H23 N2 S4 -","- C20 H23 N2 S4 -","- C40 H46 N4 S8 -","2","1","TK6254","Raya, Indah; Baba, Ibrahim; Rosli, Fatimatul Z.; Bohari. M. Yamin","Bis(<i>N</i>-isopropyl-<i>N</i>-phenylthiocarbamoyl) disulfide","Acta Crystallographica Section E","2005","61","10","o3131","o3132","10.1107/S1600536805026838","","","0.71073","MoKα","","0.06","0.041","","","0.114","0.125","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207074","10.8432","0.0005","11.019","0.0005","11.4895","0.0005","87.389","0.004","75.577","0.004","65.539","0.004","1207.6","0.11","298","1","298","1","","","","","","","","7","P -1","-P 1","2","","μ-oxalato-1κ^2^O^1^,O^2^:2κ^2^O^1'^,O^2'^-bis[bis(1-benzyl-1H-pyrazole- κN^2^)(trifluoromethanesulfonato-κO)copper(II)]","","- C44 H40 Cu2 F6 N8 O10 S2 -","- C44 H40 Cu2 F6 N8 O10 S2 -","- C44 H40 Cu2 F6 N8 O10 S2 -","1","0.5","TK6256","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","A copper(II)‒oxalate compound resulting from the fixation of carbon dioxide: μ-oxalato-bis[bis(1-benzyl-1<i>H</i>-pyrazole)(trifluoromethanesulfonato)copper(II)]","Acta Crystallographica Section E","2005","61","10","m1904","m1906","10.1107/S160053680502739X","","","0.71073","MoKα","","0.036","0.033","","","0.104","0.111","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207075","12.0231","0.0019","5.7685","0.0008","14.434","0.002","90","","114.393","0.011","90","","911.7","0.2","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-Amino-5-(2-hydroxyphenyl)-2H-1,2,4-triazole-3(4H)-thione","","- C8 H8 N4 O S -","- C8 H8 N4 O S -","- C32 H32 N16 O4 S4 -","4","1","TK6257","Dinçer, Muharrem; Özdemir, Namık; Çetin, Ahmet; Cansız, Ahmet; Şekerci, Memet","4-Amino-5-(2-hydroxyphenyl)-2<i>H</i>-1,2,4-triazole-3(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","10","o3214","o3216","10.1107/S1600536805027972","","","0.71073","MoKα","","0.046","0.038","","","0.106","0.11","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207076","15.518","0.003","9.3215","0.0018","22.942","0.005","90","","90","","90","","3318.6","1.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N'-(4-Hydroxybenzylidene)benzohydrazide dimethylformamide solvate","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C136 H152 N24 O24 -","8","1","TK6258","Jing, Zuo-Liang; Fan, Zhi; Yu, Ming; Chen, Xin; Deng, Qi-Liang","<i>N</i>'-(4-Hydroxybenzylidene)benzohydrazide dimethylformamide solvate","Acta Crystallographica Section E","2005","61","10","o3495","o3496","10.1107/S1600536805030679","","","0.71073","MoKα","","0.137","0.046","","","0.101","0.149","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207077","6.1571","0.0003","13.7052","0.0006","7.7208","0.0003","90","","91.715","0.001","90","","651.22","0.05","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H8 As N3 O4 -","- C H8 As N3 O4 -","- C4 H32 As4 N12 O16 -","4","1","TK6259","Wilkinson, Hazel S.; Harrison, William T. A.","Guanidinium dihydrogenarsenate","Acta Crystallographica Section E","2005","61","10","m2023","m2025","10.1107/S1600536805028825","","","0.71073","MoKα","","0.025","0.021","","","0.057","0.058","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207078","7.811","0.005","8.621","0.005","9.054","0.005","72.972","0.005","86.553","0.005","64.96","0.005","526.7","0.5","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","bis(2,2'-bipyridine-κ^2^N,N')platinum(II) bis(perchlorate)","","- C20 H16 Cl2 N4 O8 Pt -","- C20 H16 Cl2 N4 O8 Pt -","- C20 H16 Cl2 N4 O8 Pt -","1","0.5","TK6260","Clare, Bronya R.; McInnes, Claire S.; Blackman, Allan G.","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(perchlorate)","Acta Crystallographica Section E","2005","61","10","m2042","m2043","10.1107/S1600536805029089","","","0.71069","MoKα","","0.014","0.014","","","0.036","0.036","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207079","39.113","0.006","4.5063","0.0007","20.469","0.003","90","","116.449","0.002","90","","3230.1","0.9","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","9-Benzyl-3,6-dibromo-9H-carbazole","","- C19 H13 Br2 N -","- C19 H13 Br2 N -","- C152 H104 Br16 N8 -","8","2","TK6261","Duan, Xue-Min; Huang, Peng-Mian; Zheng, Peng-Wu; Li, Jiang-sheng","9-Benzyl-3,6-dibromo-9<i>H</i>-carbazole","Acta Crystallographica Section E","2005","61","10","o3361","o3363","10.1107/S1600536805029430","","","0.71073","MoKα","","0.118","0.045","","","0.076","0.095","","","","","","0.94","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207080","13.305","0.007","5.676","0.004","12.455","0.006","90","","107.784","0.016","90","","895.6","0.9","296","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Benzoyl-1,3-oxazolidin-2-one","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","TK6290","Jing-Li Cheng; Cheng-Xia Tan; Guo-Nian Zhu","3-Benzoyl-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2005","61","10","o3194","o3195","10.1107/S1600536805027984","","","0.71075","MoKα","","","0.034","","","","0.075","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207081","12.401","0.0013","5.5664","0.0006","17.3648","0.0018","90","","100.858","0.002","90","","1177.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Biimidazol-1-ium trichloroacetate","","- C8 H7 Cl3 N4 O2 -","- C8 H7 Cl3 N4 O2 -","- C32 H28 Cl12 N16 O8 -","4","1","WK6059","Ji-Xin Yuan","2,2'-Biimidazol-1-ium trichloroacetate","Acta Crystallographica Section E","2005","61","10","o3294","o3296","10.1107/S1600536805029004","","","0.71073","MoKα","","0.0673","0.0554","","","0.1176","0.1235","","","","","","1.143","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207082","9.6366","0.0001","9.6366","0.0001","11.6119","0.0003","90","","90","","120","","933.86","0.03","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","silver caesium nonamolybdenum undecasulfide","","- Ag1.91 Cs1.16 Mo9 S11 -","- Ag1.908 Cs1.161 Mo9 S11 -","- Ag3.816 Cs2.322 Mo18 S22 -","2","0.166667","WM6090","Salloum, D.; Gougeon, P.; Potel, M.","Ag~1.91~Cs~1.16~Mo~9~S~11~: a novel quaternary reduced molybdenum sulfide containing Mo~9~ clusters","Acta Crystallographica Section E","2005","61","10","i213","i215","10.1107/S1600536805028205","","","0.71069","MoKα","","0.0262","0.0217","","","0.045","0.0457","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207083","3.874","0.002","3.874","0.002","9.704","0.004","90","","90","","90","","145.64","0.12","295","2","295","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Erbium dicobalt disilicide","Dicobalt erbium disilicon","","- Co2 Er Si2 -","- Co2 Er Si2 -","- Co4 Er2 Si4 -","2","0.0625","WM6091","Demchenko, Pavlo; Kończyk, Joanna; Bodak, Oksana; Marciniak, Bernard; Matvijishyn, Roman","Erbium dicobalt disilicide, ErCo~2~Si~2~","Acta Crystallographica Section E","2005","61","10","i218","i220","10.1107/S1600536805030722","","","0.71073","MoKα","","0.0229","0.0223","","","0.0494","0.0497","","","","","","1.169","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207084","10.282","0.002","10.417","0.002","11.765","0.002","90","","97.42","0.03","90","","1249.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Diaminopyridinium pyridinium-2,6-dicarboxylate","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C48 H48 N16 O16 -","4","1","WN6355","Aghabozorg, Hossein; Akbari Saei, Ali; Ramezanipour, Farshid","2,6-Diaminopyridinium pyridinium-2,6-dicarboxylate: a redetermination","Acta Crystallographica Section E","2005","61","10","o3242","o3244","10.1107/S1600536805027431","","","0.71073","MoKα","","0.1069","0.0523","","","0.1405","0.1667","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207085","13.74","0.003","9.405","0.002","9.997","0.002","90","","102.19","0.004","90","","1262.7","0.5","292","2","292","2","","","","","","","","3","P 1 c 1","P -2yc","7","","(RS)-2,6-Dimethoxy-4-(2-methoxypropyl)phenol","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","2","WN6371","Meng, Xiang-Gao; Wu, An-Xin","(<i>RS</i>)-2,6-Dimethoxy-4-(2-methoxypropyl)phenol","Acta Crystallographica Section E","2005","61","10","o3176","o3178","10.1107/S1600536805027790","","","0.71073","MoKα","","0.072","0.0571","","","0.15","0.1641","","","","","","0.967","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207086","21.8765","0.0012","14.3774","0.0008","11.7603","0.0007","90","","107.05","0.001","90","","3536.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(2-Acetamido-5-methylbenzoyl)indole","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","WN6372","T. Ravishankar; K. Chinnakali; N. Arumugam; P. C. Srinivasan; Anwar Usman; Hoong-Kun Fun","2-(2-Acetamido-5-methylbenzoyl)-1<i>H-</i>indole","Acta Crystallographica Section E","2005","61","10","o3291","o3293","10.1107/S160053680502893X","","","0.71073","MoKα","","0.1088","0.0766","","","0.2021","0.2164","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207087","4.79","0.0009","13.772","0.003","17.158","0.003","90","","90","","90","","1131.9","0.4","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 Br2 N O3 -","- C9 H9 Br2 N O3 -","- C36 H36 Br8 N4 O12 -","4","1","WN6374","Qin, Shuqi; Yin, Guodong; Zhou, Baohan","2,3-Bis(bromomethyl)-1-methoxy-4-nitrobenzene","Acta Crystallographica Section E","2005","61","10","o3257","o3258","10.1107/S1600536805028618","","","0.71073","MoKα","","0.0595","0.0395","","","0.1102","0.133","","","","","","1.126","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207088","7.3382","0.0003","21.8714","0.0007","14.0755","0.0004","90","","100.464","0.001","90","","2221.5","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-methylbenzenesulfonate","2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-methylbenzenesulfonate","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","1","WN6375","Boonwasana Jindawong; Suchada Chantrapromma; Hoong-Kun Fun; Chatchanok Karalai","2-[(<i>E</i>)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2005","61","10","o3237","o3239","10.1107/S1600536805028643","","","0.71073","MoKα","","0.0538","0.0409","","","0.0984","0.1067","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207089","7.7","0.002","9.989","0.003","11.23","0.003","102.49","0.004","108.484","0.004","97.688","0.004","780.5","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(2,3-dimethylphenoxy)-1-(pyridin-2-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C34 H32 N8 O4 -","2","1","WN6377","Dai, Hong; Liu, Jian-Bing; Tao, Wei-Feng; Shao, Ling; Jin, Zhong; Fang, Jian-Xin","2-(2,3-Dimethylphenoxy)-1-(pyridin-2-yl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone","Acta Crystallographica Section E","2005","61","10","o3466","o3467","10.1107/S1600536805030400","","","0.71073","MoKα","","0.0776","0.0436","","","0.1055","0.126","","","","","","1.028","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207090","7.42","0.0016","7.663","0.0016","16.407","0.003","90","","95.787","0.004","90","","928.1","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[4-(4-Formyl-2-methoxyphenoxy)butoxy]-3-methoxybenzaldehyde","","- C20 H22 O6 -","- C20 H22 O6 -","- C40 H44 O12 -","2","0.5","WN6378","Duan, Zhong-Yu; Zhang, Wen-Jun","4-[4-(4-Formyl-2-methoxyphenoxy)butoxy]-3-methoxybenzaldehyde","Acta Crystallographica Section E","2005","61","10","o3355","o3356","10.1107/S160053680502951X","","","0.71073","MoKα","","0.0569","0.0355","","","0.0863","0.1014","","","","","","1.035","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207091","8.7299","0.0008","10.8999","0.001","9.7586","0.0008","90","","98.363","0.002","90","","918.71","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,3-trihydroxybenzene:1,3,5-triazine (1/1)","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","WN6380","Liliana Dobrzańska","1,2,3-Trihydroxybenzene‒1,3,5-triazine (1/1)","Acta Crystallographica Section E","2005","61","10","o3416","o3418","10.1107/S1600536805029995","","","0.71073","MoKα","","0.1196","0.0496","","","0.0884","0.1072","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207092","11.4622","0.0004","7.3284","0.0002","26.7829","0.0009","90","","109.709","0.002","90","","2117.96","0.12","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","An unnaturally cage xanthone from <i>Cratoxylum cochinchinese</i>","8-hydroxy-13-methoxy-17,17-dimethyl-15-(3-methyl-2-butenyl)-3,16- dioxapentacyclo[11.4.1.0^2,11^.0^2,15^.0^4,9^]octadeca-4,6,8,11- tetraene-10-14-dione","","- C24 H26 O6 -","- C24 H26 O6 -","- C96 H104 O24 -","4","1","WN6381","Suchada Chantrapromma; Nawong Boonnak; Hoong-Kun Fun","8-Hydroxy-13-methoxy-17,17-dimethyl-15-(3-methyl-2-butenyl)-3,16-dioxapentacyclo[11.4.1.0^2,11^.0^2,15^.0^4,9^]octadeca-4,6,8,11-tetraene-10,14-dione","Acta Crystallographica Section E","2005","61","10","o3505","o3507","10.1107/S1600536805030801","","","0.71073","MoKα","","0.0689","0.0627","","","0.178","0.1827","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207093","6.9694","0.0019","7.833","0.002","12.99","0.004","90","","105.175","0.004","90","","684.4","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(3-nitrobenzylidene)hydrazine","","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","- C28 H20 N8 O8 -","2","0.5","WN6382","Zheng, Peng-Wu; Wang, Wei; Duan, Xue-Min","<i>N</i>,<i>N</i>'-Bis(3-nitrobenzylidene)hydrazine","Acta Crystallographica Section E","2005","61","10","o3485","o3486","10.1107/S1600536805030631","","","0.71073","MoKα","","0.0641","0.0381","","","0.0949","0.1158","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207094","8.0012","0.0002","4.6257","0.0001","17.1148","0.0005","90","","96.413","0.001","90","","629.47","0.03","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(4-Aminophenyl)-3-(3-bromophenyl)prop-2-en-1-one","","- C15 H12 Br N O -","- C15 H12 Br N O -","- C30 H24 Br2 N2 O2 -","2","1","WN6384","S. Sathiya Moorthi; K. Chinnakali; S. Nanjundan; R. Santhi; Hoong-Kun Fun","1-(4-Aminophenyl)-3-(3-bromophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","10","o3514","o3516","10.1107/S1600536805030783","","","0.71073","MoKα","","0.0356","0.0302","","","0.0804","0.0884","","","","","","1.085","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207095","24.083","0.003","7.393","0.001","18.82","0.003","90","","117.765","0.002","90","","2965","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-Benzoyl-6-methyl-3-methylsulfanyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazol-4-one","","- C15 H14 N2 O3 S -","- C15 H14 N2 O3 S -","- C120 H112 N16 O24 S8 -","8","2","WW6380","Hao, Jing-Jun; Gao, Feng; Wang, You-Ming; Li, Zheng-Ming","1-Benzoyl-6-methyl-3-methylsulfanyl-6,7-dihydro-1<i>H</i>-pyrano[4,3-<i>c</i>]pyrazol-4-one","Acta Crystallographica Section E","2005","61","10","o3470","o3471","10.1107/S1600536805025547","","","0.71073","MoKα","","0.0444","0.033","","","0.0779","0.0832","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207096","8.3002","0.0006","20.6868","0.0014","8.5584","0.0006","90","","90","","90","","1469.52","0.18","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N-(nitroso)-8,9-benzo-1-aza-4,7,10,13-tetraoxacyclopentadeca-8-ene","11-Nitroso-6,7,10,11,12,13,15,16-octahydro-9H-5,8,14,17- tetraoxa-11-azabenzocyclopentadecene","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C56 H80 N8 O20 -","4","1","WW6393","Simonov, Yurii A.; Gonta, Maria V.; Yavolovskii, Arkadii A.","11-Nitroso-6,7,10,11,12,13,15,16-octahydro-9<i>H</i>-5,8,14,17-tetraoxa-11-azabenzocyclopentadecene","Acta Crystallographica Section E","2005","61","10","o3136","o3139","10.1107/S1600536805027315","","","0.71073","MoKα","","0.0304","0.029","","","0.0703","0.0712","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207097","9.756","0.002","10.608","0.002","11.716","0.003","110.123","0.004","98.754","0.004","92.119","0.004","1120","0.4","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 5,10-dihydro-9-methoxy-6-nitro-4,11-dioxo-cis-1H,3H,4H,11H-2-oxa- 3a,4a,10a,11a-tetraazabenz[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxylate","","- C21 H23 N5 O10 -","- C21 H23 N5 O10 -","- C42 H46 N10 O20 -","2","1","WW6404","Zhou, Bao-Han; Qu, Jiang-Lan; Wu, An-Xin","Diethyl 5,10-dihydro-9-methoxy-6-nitro-4,11-dioxo-<i>cis</i>-1<i>H</i>,3<i>H</i>,4<i>H</i>,11<i>H</i>-2-oxa-3a,4a,10a,11a-tetraazabenz[<i>f</i>]indeno[2,1,7-<i>ija</i>]azulene-11b,11c-dicarboxylate","Acta Crystallographica Section E","2005","61","10","o3297","o3298","10.1107/S1600536805028977","","","0.71073","MoKα","","0.057","0.0448","","","0.1257","0.1346","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207098","23.5242","0.0018","11.1168","0.0009","23.8578","0.0019","90","","115.325","0.001","90","","5639.5","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tris(2,2'-biimidazole)nickel(II) phthalate","Tris(2,2'-biimidazole)nickel(II) phthalate","","- C26 H22 N12 Ni O4 -","- C26 H22 N12 Ni O4 -","- C208 H176 N96 Ni8 O32 -","8","2","WW6413","Yang, Li-Ning; Li, Jun; Zhang, Feng-Xing","Tris(2,2'-biimidazole)nickel(II) phthalate","Acta Crystallographica Section E","2005","61","10","m2169","m2171","10.1107/S1600536805030941","","","0.71073","MoKα","","0.0698","0.0433","","","0.1315","0.1459","","","","","","1.054","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207099","3.9737","0.0009","18.16","0.004","8.1865","0.0019","90","","102.596","0.004","90","","576.5","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 1H-1,2,4-triazole-3-carboxylate","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C16 H20 N12 O8 -","4","1","WW6417","Guo, Xianghai; Wang, Qing-Xian","Methyl 1<i>H</i>-1,2,4-triazole-3-carboxylate","Acta Crystallographica Section E","2005","61","10","o3217","o3218","10.1107/S1600536805028102","","","0.71073","MoKα","","0.0591","0.0372","","","0.0966","0.1105","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207100","15.411","0.0018","6.6402","0.0008","14.6523","0.0017","90","","108.898","0.002","90","","1418.6","0.3","292","2","292","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","2,5-Bis(2-methoxyphenyl)furan","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","WW6423","Meng, Xiang-Gao; Wu, An-Xin","2,5-Bis(2-methoxyphenyl)furan","Acta Crystallographica Section E","2005","61","10","o3192","o3193","10.1107/S1600536805027911","","","0.71073","MoKα","","0.0916","0.0528","","","0.1205","0.139","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207101","9.9075","0.0004","19.0621","0.0007","13.5418","0.0005","90","","108.977","0.002","90","","2418.47","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,4-Dinitro-N,N,N',N'-tetraphenylthiophene-2,5-diamine","","- C28 H20 N4 O4 S -","- C28 H20 N4 O4 S -","- C112 H80 N16 O16 S4 -","4","1","WW6424","Huang, Ping-Hsin; Shen, Jiun-Yi; Chang, Yu-Tang; Wen, Yuh-Sheng; Yeh, Ming-Chang P.; Lin, Jiann T.","3,4-Dinitro-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraphenylthiophene-2,5-diamine","Acta Crystallographica Section E","2005","61","10","o3315","o3316","10.1107/S1600536805029120","","","0.71073","MoKα","","0.0543","0.0393","","","0.0943","0.1006","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207102","9.5977","0.0019","11.444","0.002","14.018","0.003","78.5","0.03","71.77","0.03","86.82","0.03","1433","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[aquasilver(I)-μ-4,4'-bipyridine] catena-poly[[aqua(naphthalene-1,4-dicarboxylato)silver(I)]-μ-4,4'-bipyridine] polyhydrate","","- C32 H28 Ag2 N4 O7 -","- C32 H28 Ag2 N4 O7 -","- C64 H56 Ag4 N8 O14 -","2","1","XU6029","Ling Ye; Ying Wu","<i>catena</i>-Poly[aquasilver(I)-μ-4,4'-bipyridine] <i>catena</i>-poly[[aqua(naphthalene-1,4-dicarboxylato)silver(I)]-μ-4,4'-bipyridine] polyhydrate","Acta Crystallographica Section E","2005","61","10","m1894","m1896","10.1107/S1600536805026802","","","0.71073","MoKα","","0.05","0.037","","","0.09","0.096","","","","","","1.097","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207103","10.836","0.003","22.2556","0.0015","10.023","0.002","90","","114.11","0.03","90","","2206.3","0.9","293","","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[1-(ferrocenylcarbonyl)prop-1-en-2-ylamino]-3-hydroxypropionate dichloromethane solvate","","- C20 H25 Cl2 Fe N O4 -","- C20 H25 Cl2 Fe N O4 -","- C80 H100 Cl8 Fe4 N4 O16 -","4","1","XU6040","Yao-Cheng Shi; Chun-Xia Sui; Hua-Mei Yang","Ethyl 2-[1-(ferrocenylcarbonyl)prop-1-en-2-ylamino]-3-hydroxypropionate dichloromethane solvate","Acta Crystallographica Section E","2005","61","10","m1900","m1901","10.1107/S1600536805027212","","","0.71073","MoKα","","0.129","0.065","","","0.162","0.202","","","","","","1.055","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207104","11.278","0.002","11.532","0.002","10.802","0.002","90","","90","","90","","1404.9","0.4","295","2","295","2","","","","","","","","5","P n n m","-P 2 2n","58","","catena-poly[[di-μ-acetato-1κO:2κO'-bis[(acetato-κ^2^O,O')nickel(II)]]- di-μ-4,4'-bipyridine-1κN:1'κN';2κN:2'κN']","","- C14 H14 N2 Ni O4 -","- C14 H14 N2 Ni O4 -","- C56 H56 N8 Ni4 O16 -","4","0.5","XU6044","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","The ribbon structure of nickel(II) acetate‒4,4'-bipyridine","Acta Crystallographica Section E","2005","61","10","m1897","m1899","10.1107/S1600536805027078","","","0.71073","MoKα","","0.106","0.074","","","0.137","0.148","","","","","","1.18","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207105","9.337","0.003","9.531","0.002","9.538","0.002","119.477","0.004","101.018","0.005","94.14","0.005","711.4","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Hexaaquamanganese(II) dichloride bis(hexamethylenetetraamine) tetrahydrate","","- C12 H44 Cl2 Mn N8 O10 -","- C12 H44 Cl2 Mn N8 O10 -","- C12 H44 Cl2 Mn N8 O10 -","1","0.5","XU6047","Chen, Zi-Lu; Li, Shi-Bing; Qiu, Zhi-Hui; Zeng, Qing-Fen; Liang, Fu-Pei","Hexaaquamanganese(II) dichloride bis(hexamethylenetetramine) tetrahydrate","Acta Crystallographica Section E","2005","61","10","m1931","m1932","10.1107/S1600536805027571","","","0.71073","MoKα","","0.074","0.042","","","0.096","0.111","","","","","","1.038","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207106","17.136","0.003","10.946","0.002","20.658","0.004","90","","108.39","0.03","90","","3676.7","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{μ-2-[1-(N,N-Dimethylamino)ethyl]ferrocene-1,1'-diylbis(diphenylphosphine)- κ^2^P:P'}bis[chlorogold(I)]","","- C38 H37 Au2 Cl2 Fe N P2 -","- C38 H37 Au2 Cl2 Fe N P2 -","- C152 H148 Au8 Cl8 Fe4 N4 P8 -","4","1","XU6048","Sam, Zolisa A.; Oskarsson, Åke; Elmroth, Sofi K. C.; Roodt, Andreas","{μ-2-[1-(<i>N</i>,<i>N</i>-Dimethylamino)ethyl]ferrocene-1,1'-diylbis(diphenylphosphine)- κ^2^<i>P</i>:<i>P</i>'}bis[chlorogold(I)]","Acta Crystallographica, Section E","2005","61","10","o2090","o2092","10.1107/S1600536805029582","","","0.71073","MoKα","","","0.049","","","","0.109","","","","","","0.992","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207107","10.383","0.003","17.997","0.005","20.207","0.006","90","","96.928","0.005","90","","3748.4","1.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-3-Mercaptobenzoato-κ^2^O:S-bis(triphenyltin)","","- C43 H34 O2 S Sn2 -","- C43 H34 O2 S Sn2 -","- C172 H136 O8 S4 Sn8 -","4","1","XU6049","Qing-Fu Zhang; Ru-Fen Zhang; Chun-Lin Ma","μ-3-Mercaptobenzoato-κ^2^<i>O</i>:<i>S</i>-bis(triphenyltin)","Acta Crystallographica Section E","2005","61","10","m1923","m1924","10.1107/S1600536805027637","","","0.71073","MoKα","","0.044","0.027","","","0.061","0.071","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207108","10.116","0.002","8.7131","0.0018","24.608","0.005","90","","96.763","0.004","90","","2153.9","0.8","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,6-bis(2-hydroxyethyl)-4,8-dioxo-1,2,5,6-tetrahydrohydro-2,3a,4a,6,7a,8a- hexaazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C18 H28 N6 O8 -","- C18 H28 N6 O8 -","- C72 H112 N24 O32 -","4","1","XU6051","Li, Yi-Tao; Chen, Yun-Feng; She, Neng-Fang; Wu, An-Xin","Diethyl 2,6-bis(2-hydroxyethyl)-4,8-dioxo-1,2,5,6-tetrahydrohydro-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2005","61","10","o3364","o3365","10.1107/S1600536805027625","","","0.71073","MoKα","","0.069","0.054","","","0.14","0.155","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207109","5.9847","0.0005","21.365","0.002","7.87","0.0006","90","","103.605","0.001","90","","978.05","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(N-phenylpyrazole-1-carboximidothioato-κ^2^N^2^,S)nickel(II)","","- C20 H16 N6 Ni S2 -","- C20 H16 N6 Ni S2 -","- C40 H32 N12 Ni2 S4 -","2","0.5","XU6054","Hossaini Sadr, Moayad; Sardroodi, Jahanbin; Shagagi, Zohre; Ng, Seik Weng","Bis(<i>N</i>-phenylpyrazole-1-carboximidothioato-κ^2^<i>N</i>^2^,<i>S</i>)nickel(II)","Acta Crystallographica Section E","2005","61","10","m1955","m1956","10.1107/S1600536805027960","","","0.71073","MoKα","","0.086","0.065","","","0.16","0.173","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207110","8.8145","0.0003","11.8211","0.0005","25.887","0.001","90","","97.046","0.001","90","","2676.98","0.18","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[diaqua(pyrimidin-2-ylsulfanylacetato)lanthanum(III)]-di- μ-pyrimidin-2-ylsulfanylacetato] trihydrate]","","- C18 H25 La N6 O11 S3 -","- C18 H25 La N6 O11 S3 -","- C72 H100 La4 N24 O44 S12 -","4","1","XU6055","Hao, Hong-Qing; Zhang, Hui; Chen, Jian-Gu; Ng, Seik Weng","<i>catena</i>-Poly[[[diaqua(pyrimidin-2-ylsulfanylacetato)lanthanum(III)]-di-μ-pyrimidin-2-ylsulfanylacetato] trihydrate]","Acta Crystallographica Section E","2005","61","10","m1960","m1962","10.1107/S1600536805028096","","","0.71073","MoKα","","0.047","0.044","","","0.107","0.11","","","","","","1.16","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207111","11.1861","0.0017","10.3346","0.0016","19.517","0.003","90","","101.377","0.003","90","","2211.9","0.6","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Cl2 N3 O2 S -","- C24 H17 Cl2 N3 O2 S -","- C96 H68 Cl8 N12 O8 S4 -","4","1","YA6254","Liu, Jian-Chao; Peng, Hao; Meng, Xiang-Gao; Ding, Ming-Wu; He, Hong-Wu","8-(4-Chlorophenoxy)-7-(4-chlorophenyl)-1,2,5-trimethylthieno[2',3';2,3]pyrido[4,5-<i>d</i>]pyrimidin-6(7<i>H</i>)-one","Acta Crystallographica Section E","2005","61","10","o3259","o3260","10.1107/S1600536805028783","","","0.71073","MoKα","","0.069","0.05","","","0.136","0.158","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207112","24.987","0.003","7.438","0.001","17.215","0.002","90","","104.57","0.01","90","","3096.6","0.7","295","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridyl-κ^2^N,N')(chloranilato-κ^2^O,O')copper(II)","","- C16 H8 Cl2 Cu N2 O4 -","- C16 H8 Cl2 Cu N2 O4 -","- C128 H64 Cl16 Cu8 N16 O32 -","8","1","YA6258","Reinoso, Santiago; Vitoria, Pablo; San Felices, Leire; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')(chloranilato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2005","61","10","m1925","m1927","10.1107/S1600536805027649","","","0.71073","MoKα","","0.111","0.035","","","0.055","0.065","","","","","","0.74","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207113","11.1489","0.0006","11.9699","0.0006","12.5693","0.0006","99.302","0.001","93.69","0.001","107.155","0.001","1570.48","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H58 Cu3 N12 O20 S2 -","- C56 H56 Cu3 N12 O20 S2 -","- C56 H56 Cu3 N12 O20 S2 -","1","0.5","YA6263","Fan, Sai-Rong; Zhu, Long-Guan","<i>catena</i>-Poly[[hexakis(1<i>H</i>-benzimidazole)bis(μ^2^-5-sulfonatosalicylato)tricopper(II)] octahydrate]","Acta Crystallographica Section E","2005","61","10","m2080","m2082","10.1107/S160053680503000X","","","0.71073","MoKα","","0.075","0.07","","","0.159","0.161","","","","","","1.22","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207114","6.303","0.002","7.745","0.003","17.424","0.001","90","","96.64","0.01","90","","844.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N O S -","- C9 H7 N O S -","- C36 H28 N4 O4 S4 -","4","1","YA6265","Davis, Rohan A.; Carroll, Anthony R.; Quinn, Ronald J.; Healy, Peter C.; Tiekink, Edward R. T.","4-(2-Thienyl)-1<i>H</i>-pyrrole-2-carbaldehyde","Acta Crystallographica Section E","2005","61","10","o3401","o3402","10.1107/S1600536805029636","","","0.71069","MoKα","","0.086","0.036","","","0.092","0.112","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207116","22.216","0.002","9.2475","0.001","23.913","0.002","90","","105.778","0.002","90","","4727.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triethylaminium 4-(2-chlorobenzoyl)-3-methyl-1-(p-tolyl)-5-pyrazol-5-olate","","- C24 H30 Cl N3 O2 -","- C24 H30 Cl N3 O2 -","- C192 H240 Cl8 N24 O16 -","8","2","AC6201","Duan, Xue-Min; Fan, Mei-Lian; Zheng, Peng-Wu","Triethylaminium 4-(2-chlorobenzoyl)-3-methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-pyrazol-5-olate","Acta Crystallographica Section E","2005","61","11","o3831","o3833","10.1107/S1600536805033441","","","0.71073","MoKα","","0.0942","0.0563","","","0.1533","0.1799","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207119","8.083","0.002","12.274","0.003","11.04","0.003","90","","95.2","0.03","90","","1090.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Amino-4-methylsulfonyl-1-phenyl-1H-pyrazole","","- C10 H11 N3 O2 S -","- C10 H11 N3 O2 S -","- C40 H44 N12 O8 S4 -","4","1","AC6208","Viktor Kettmann; Jan Lokaj; Viktor Milata; Petra C̆ernuchová; André Loupy; Giang Vo-Thanh","5-Amino-4-methylsulfonyl-1-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2005","61","11","o3852","o3854","10.1107/S1600536805033556","","","0.71073","MoKα","","0.0488","0.0383","","","0.0992","0.1055","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207121","8.3295","0.0005","12.611","0.0008","15.3711","0.0012","90","","94.642","0.006","90","","1609.34","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chloro[hydrotris(pyrazol-1-yl)borato]oxo(1H-pyrazole)vanadium(IV)","","- C12 H14 B Cl N8 O V -","- C12 H14 B Cl N8 O V -","- C48 H56 B4 Cl4 N32 O4 V4 -","4","1","AC6210","McLauchlan, Craig C.; McDonald, Kenneth J.","Chloro[hydrotris(pyrazol-1-yl)borato]oxo(1<i>H</i>-pyrazole)vanadium(IV)","Acta Crystallographica Section E","2005","61","11","m2379","m2381","10.1107/S1600536805033568","","","0.71073","MoKα","","0.0806","0.0735","","","0.1231","0.1261","","","","","","1.235","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207122","12.225","0.003","7.618","0.002","11.639","0.003","90","","102.66","0.004","90","","1057.6","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acetone 4-phenylthiosemicarbazone","","- C10 H13 N3 S -","- C10 H13 N3 S -","- C40 H52 N12 S4 -","4","1","AC6214","Venkatraman, Ramaiyer; Swesi, Abdurazak T.; Bohari M. Yamin","Acetone 4-phenylthiosemicarbazone","Acta Crystallographica Section E","2005","61","11","o3914","o3916","10.1107/S1600536805034409","","","0.71073","MoKα","","0.047","0.043","","","0.12","0.123","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207129","10.418","0.005","16.043","0.005","11.484","0.005","90","","98.031","0.005","90","","1900.6","1.4","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(3-methylisoquinoline-κN)silver(I) nitrate","","- C20 H18 Ag N3 O3 -","- C20 H18 Ag N3 O3 -","- C80 H72 Ag4 N12 O12 -","4","0.5","AT6040","Xian-Wu Dong; Hua Wu; Jian-Fang Ma","Bis(3-methylisoquinoline-κ<i>N</i>)silver(I) nitrate","Acta Crystallographica Section E","2005","61","11","m2400","m2401","10.1107/S1600536805034112","","","0.71073","MoKα","","0.0539","0.0455","","","0.16","0.165","","","","","","1.084","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207130","9.0708","0.0018","15.997","0.006","12.113","0.002","90","0.04","111.28","0.03","90","0.03","1637.8","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Diisopropyl N,N'-(4-methyl-m-phenylene)dicarbamate","","- C15 H22 N2 O4 -","- C15 H22 N2 O4 -","- C60 H88 N8 O16 -","4","1","AT6041","Yong-Yan Lu; Qiu-Xiang Yin; Jing-Kang Wang; Lina Zhou","Diisopropyl <i>N</i>,<i>N</i>'-(4-methyl-<i>m</i>-phenylene)dicarbamate","Acta Crystallographica Section E","2005","61","11","o3874","o3875","10.1107/S1600536805034124","","","0.71073","MoKα","","0.0491","0.0399","","","0.0971","0.1035","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207132","14.882","0.005","12.213","0.003","10.461","0.003","90","","104.68","0.013","90","","1839.3","0.9","296","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylsulfonyl)- 2-hydroxy-2-methylpropionamide","","- C18 H14 F4 N2 O4 S -","- C18 H14 F4 N2 O4 S -","- C72 H56 F16 N8 O16 S4 -","4","1","AT6044","Xiu-Rong Hu; Jian-Ming Gu","<i>N</i>-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylsulfonyl)-2-hydroxy-2-methylpropionamide","Acta Crystallographica Section E","2005","61","11","o3897","o3898","10.1107/S1600536805034501","","","0.71075","MoKα","","","0.04","","","","0.0981","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207133","7.7629","0.0007","14.0592","0.0012","15.099","0.0013","90","","93.955","0.002","90","","1644","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(4aS,10aR)-1,2,3,4,4a,10a-Hexahydro-6,7-dimethoxy-1,1,4a-trimethylphenanthrene- 9,10-dione","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","AT6045","Yi Xiong; Cui-Rong Sun; Mao-Lin Hu; Miao-Chang Liu","(4a<i>SR</i>,10a<i>RS</i>)-1,2,3,4,4a,10a-Hexahydro-6,7-dimethoxy-1,1,4a-trimethylphenanthrene-9,10-dione","Acta Crystallographica Section E","2005","61","11","o3899","o3900","10.1107/S1600536805034495","","","0.71073","MoKα","","0.0927","0.0831","","","0.1603","0.1649","","","","","","1.317","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207135","7.336","0.0003","8.747","0.0004","10.35","0.0003","90","","90.763","0.002","90","","664.08","0.05","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibromo(η^5^,η^5^-propane-2,2-diyldicyclopentadienyl)zirconium(IV)","","- C13 H14 Br2 Zr -","- C13 H14 Br2 Zr -","- C26 H28 Br4 Zr2 -","2","0.5","BD6012","Erben, Milan; Císařová, Ivana; Vinklárek, Jaromír; Picka, Michal","Dibromo(η^5^,η^5^-propane-2,2-diyldicyclopentadienyl)zirconium(IV)","Acta Crystallographica Section E","2005","61","11","m2424","m2425","10.1107/S1600536805034690","","","0.71073","MoKα","","0.0365","0.0269","","","0.0597","0.0648","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207139","16.534","0.005","7.538","0.002","11.228","0.003","90","","108.554","0.005","90","","1326.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-3-methoxybenzaldehyde (pyridine-2-carbonyl)hydrazone","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","BH6037","Liu, Ming-Li; Dou, Jian-Min; Wang, Da-Qi; Li, Da-Cheng","2-Hydroxy-3-methoxybenzaldehyde (pyridine-2-carbonyl)hydrazone","Acta Crystallographica Section E","2005","61","11","o3876","o3878","10.1107/S1600536805034100","","","0.71073","MoKα","","0.0952","0.0435","","","0.102","0.1291","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207140","12.764","0.009","7.361","0.005","31.03","0.02","90","","90","","90","","2915","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-[4-(2-Chloroethyloxy)naphthyl]fulvene","","- C18 H15 Cl O -","- C18 H15 Cl O -","- C144 H120 Cl8 O8 -","8","1","BH6042","Li, Jie; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","6-[4-(2-Chloroethyloxy)naphthyl]fulvene","Acta Crystallographica Section E","2005","61","11","o3901","o3902","10.1107/S1600536805034483","","","0.71073","MoKα","","0.1184","0.0619","","","0.1262","0.1445","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207141","8.491","0.0017","9.655","0.0019","10.812","0.002","70.66","0.03","67.36","0.03","72.18","0.03","755.5","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","catena-poly[[diaquacobalt(II)]-μ- {μ-mellitato-κ^2^O^1^:O^4^-bis[pentaaquacobalt(II)]}- κ^4^O^2^,O^3^:O^5^,O^6^] hexahydrate]","","- C12 H36 Co3 O30 -","- C12 H36 Co3 O30 -","- C12 H36 Co3 O30 -","1","0.5","BR6215","Ji-Chun Cui","A triclinic polymorph of <i>catena</i>-poly[[diaquacobalt(II)]-μ-{μ-mellitato-κ^2^<i>O</i>^1^:<i>O</i>^4^-bis[pentaaquacobalt(II)]}-κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^5^,<i>O</i>^6^] hexahydrate]","Acta Crystallographica Section E","2005","61","11","m2209","m2211","10.1107/S160053680503134X","","","0.71073","MoKα","","0.0316","0.0266","","","0.0753","0.0802","","","","","","0.976","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207142","8.28","0.0017","10.668","0.002","15.501","0.003","86.62","0.03","85.99","0.03","70.92","0.03","1289.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquatetrakis(μ-2-phenylquinoline-4-carboxylato- κ^2^O:O')dicopper(II)(Cu—Cu)","","- C64 H44 Cu2 N4 O10 -","- C64 H44 Cu2 N4 O10 -","- C64 H44 Cu2 N4 O10 -","1","0.5","BR6220","Che, Guang-Bo; Liu, Chun-Bo; Cui, Yun-Cheng; Li, Chuan-Bi","Diaquatetrakis(μ-2-phenylquinoline-4-carboxylato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)","Acta Crystallographica Section E","2005","61","11","m2449","m2451","10.1107/S1600536805034793","","","0.71073","MoKα","","0.0568","0.0459","","","0.1171","0.1227","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207143","10.088","0.002","10.182","0.002","15.247","0.002","86.53","0.02","88.44","0.02","89.81","0.02","1562.7","0.5","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","1^1^,1^3^,4^1^,4^3^-Tetrahydro-1,4(4,7)-di(benzo[c]thiophena)cyclohexaphane","","- C20 H20 S2 -","- C20 H20 S2 -","- C80 H80 S8 -","4","2","BT6742","Kannan, Arunchalam; Dix, Ina; Hopf, Henning; Jones, Peter G.","[2.2]Dihydroisobenzothiophenophane","Acta Crystallographica Section E","2005","61","11","o3562","o3564","10.1107/S160053680502979X","","","0.71073","MoKα","","0.058","0.0443","","","0.0974","0.1068","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207144","8.9585","0.0013","10.5522","0.0015","12.3183","0.0018","79.442","0.002","78.703","0.002","71.864","0.002","1075.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine benzoate dimethylformamide solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium benzoate dimethylformamide solvate","","- C19 H20 Cl2 N6 O3 -","- C19 H20 Cl2 N6 O3 -","- C38 H40 Cl4 N12 O6 -","2","1","BT6748","Balasubramanian Sridhar; Krishnan Ravikumar","Lamotriginium benzoate dimethylformamide solvate","Acta Crystallographica Section E","2005","61","11","o3805","o3807","10.1107/S1600536805033428","","","0.71073","MoKα","","0.0993","0.081","","","0.2264","0.2448","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207145","13.9094","0.0009","6.8497","0.0005","21.8148","0.0014","90","","90","","90","","2078.4","0.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[(μ~6~-1,4-benzenedicarboxylato)hemi(μ~6~-succinato)gadolinium(III)]","","- C20 H12 Gd2 O12 -","- C20 H12 Gd2 O12 -","- C80 H48 Gd8 O48 -","4","0.5","BT6749","Chun-Xiang Wang; Zhi-Feng Li","Poly[bis(μ~4~-1,4-benzenedicarboxylato)(μ~6~-succinato)digadolinium(III)]","Acta Crystallographica Section E","2005","61","11","m2212","m2213","10.1107/S1600536805031314","","","0.71073","MoKα","","0.019","0.0173","","","0.0433","0.044","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207146","10.483","0.001","12.133","0.001","12.87","0.001","96.24","0.01","108.27","0.01","107.14","0.01","1448.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3- cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro- 3''-1H-indole-2'',3(2H,3''H)-dione","","- C34 H32 N4 O2 S -","- C34 H32 N4 O2 S -","- C68 H64 N8 O4 S2 -","2","1","BT6750","D. Gayathri; D. Velmurugan; K. Ravikumar; M. Purvachandran; R. Raghunathan","1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-<i>b</i>]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1<i>H</i>-indole-2'',3(2<i>H</i>,3''<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","11","o3556","o3558","10.1107/S1600536805031272","","","0.71073","MoKα","","0.0489","0.0423","","","0.1166","0.1225","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207147","9.1006","0.0018","18.019","0.004","12.701","0.003","90","","95.23","0.03","90","","2074.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[tris(ethylenediamine)manganese(II)] di-μ-tellurido-bis[ditelluridostannate(IV)]","","- C12 H48 Mn2 N12 Sn2 Te6 -","- C12 H48 Mn2 N12 Sn2 Te6 -","- C24 H96 Mn4 N24 Sn4 Te12 -","2","0.5","BT6751","Anna Kromm; William S. Sheldrick","Bis[tris(ethylenediamine)manganese(II)] di-μ-tellurido-bis[ditelluridostannate(IV)] (monoclinic modification)","Acta Crystallographica Section E","2005","61","11","m2234","m2236","10.1107/S1600536805031703","","","0.71073","MoKα","","0.0467","0.0365","","","0.1032","0.1063","","","","","","1.382","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207148","6.1397","0.0005","7.6596","0.0007","11.1439","0.001","72.484","0.001","89.979","0.001","85.553","0.002","498.12","0.08","273","2","273","2","","","","","","","","5","P 1","P 1","1","","N,6-Bis(4-fluorophenyl)-2-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran- 3-carboxamide","","- C24 H21 F2 N O3 -","- C24 H21 F2 N O3 -","- C24 H21 F2 N O3 -","1","1","BT6753","G. Y. S. K. Swamy; K. Ravikumar; L. K. Wadhwa; Rahul Saxena; Saranjit Singh","(2<i>R</i>*,3<i>R</i>*,6<i>S</i>*)-<i>N</i>,6-Bis(4-fluorophenyl)-2-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3-carboxamide","Acta Crystallographica Section E","2005","61","11","o3608","o3610","10.1107/S1600536805031818","","","0.71073","MoKα","","0.0489","0.0444","","","0.0984","0.101","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207149","7.9154","0.0009","13.7376","0.0014","22.98","0.003","90","","90","","90","","2498.8","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-[2-(1-Methyl-1H-indol-3-yl)methylidene]cyclohexanone","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","1","BT6754","K. Ravikumar; B. Sridhar; C. J.Saikia; R. C. Boruah","(<i>Z</i>)-[2-(1-Methyl-1<i>H</i>-indol-3-yl)methylidene]cyclohexanone","Acta Crystallographica Section E","2005","61","11","o3672","o3673","10.1107/S1600536805032563","","","0.71073","MoKα","","0.0636","0.0516","","","0.133","0.1411","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207150","9.8697","0.0008","16.446","0.0014","21.4643","0.0018","90","","90","","90","","3484","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3'-Nitro-4'-(4-methylphenyl)spiro[1H-indole-3,2'-pyrrolidin]-2-one","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C152 H152 N24 O24 -","8","1","BT6755","S. Selvanayagam; P. Rathisuganya; B. Shaherin; D. Velmurugan; K. Ravikumar; M. Poornachandran","4'-(4-Methylphenyl)-3'-nitrospiro[1<i>H</i>-indole-3,2'-pyrrolidin]-2-one","Acta Crystallographica Section E","2005","61","11","o3693","o3695","10.1107/S1600536805032526","","","0.71073","MoKα","","0.091","0.0631","","","0.1367","0.151","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207151","11.318","0.0008","11.6376","0.0008","23.098","0.0016","90","","103","0.001","90","","2964.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[3-Benzoyl-4-(4-chlorophenyl)-1-methylpyrrolidin-2-yl]-1-(4-methoxyphenyl)- 3-phenylazetidine-2-one","","- C34 H31 Cl N2 O3 -","- C34 H31 Cl N2 O3 -","- C136 H124 Cl4 N8 O12 -","4","1","BT6756","S. Selvanayagam; D. Velmurugan; K. Ravikumar; E. Ramesh","4-[3-Benzoyl-4-(4-chlorophenyl)-1-methylpyrrolidin-2-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one","Acta Crystallographica Section E","2005","61","11","o3696","o3698","10.1107/S1600536805032538","","","0.71073","MoKα","","0.0833","0.0576","","","0.135","0.1487","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207152","9.559","0.002","9.559","0.002","14.808","0.006","90","","90","","90","","1353.1","0.7","293","2","293","2","","","","","","","","6","I -4","I -4","82","not relevant","Bis(trimethylammonium) decaselenidotetragermanatomanganate(II)","","- C6 H20 Ge4 Mn N2 Se10 -","- C6 H18 Ge4 Mn N2 Se10 -","- C12 H36 Ge8 Mn2 N4 Se20 -","2","0.25","BT6757","Tobias van Almsick; William S. Sheldrick","Bis(trimethylammonium) decaselenidotetragermanatomanganate(II)","Acta Crystallographica Section E","2005","61","11","m2348","m2350","10.1107/S1600536805032770","","","0.71073","MoKα","","0.0318","0.0269","","","0.0633","0.0657","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207153","7.5163","0.0009","12.199","0.002","9.73","0.001","90","","97.735","0.002","90","","884","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid dihydrate","","- C5 H9 N3 O6 -","- C5 H9 N3 O6 -","- C20 H36 N12 O24 -","4","1","BT6758","Wu, Hai-Qiang; Liu, Zhi-Gang; Ng, Seik Weng","1-Methyl-4-nitro-1<i>H</i>-imidazole-2-carboxylic acid dihydrate","Acta Crystallographica Section E","2005","61","11","o3759","o3760","10.1107/S1600536805032800","","","0.71073","MoKα","","0.049","0.036","","","0.099","0.109","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207154","9.4033","0.0006","10.2886","0.0007","7.1791","0.0005","90","","90","","90","","694.55","0.08","298","2","298","2","","","","","","","","5","I m m 2","I 2 -2","44","","catena-poly[[tetraaquacobalt(II)-μ-pyrazine] phthalate]","","- C12 H16 Co N2 O8 -","- C12 H16 Co N2 O8 -","- C24 H32 Co2 N4 O16 -","2","0.25","BT6759","Ng, Seik Weng","Rerefinement of <i>catena</i>-poly[[tetraaquacobalt(II)-μ-pyrazine] phthalate] in a lower-symmetry space group","Acta Crystallographica Section E","2005","61","11","m2297","m2298","10.1107/S1600536805032575","","","0.71073","MoKα","","0.023","0.023","","","0.074","0.074","","","","","","1.25","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207155","17.0109","0.0006","11.5436","0.0004","20.6095","0.0006","90","","92.2816","0.0017","90","","4043.8","0.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1-(2-Bromo-5-methoxyphenyl)-8-chloro-6-(2-fluorophenyl)- 4H-1,2,4-triazolo[4,3-a][1,4]benzodiazepine","","- C23 H15 Br Cl F N4 O -","- C23 H15 Br Cl F N4 O -","- C184 H120 Br8 Cl8 F8 N32 O8 -","8","1","BT6760","Harrison, William T. A.; Yathirajan, H. S.; Anilkumar, H. G.; Sarojini, B. K.; Narayana, B.; Lobo, K. G.","1-(2-Bromo-5-methoxyphenyl)-8-chloro-6-(2-fluorophenyl)-4<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,4]benzodiazepine","Acta Crystallographica Section E","2005","61","11","o3810","o3812","10.1107/S1600536805032927","","","0.71073","MoKα","","0.0578","0.0349","","","0.0678","0.0746","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207156","19.428","0.001","7.0016","0.0005","11.5352","0.0008","90","","90","","90","","1569.1","0.18","295","2","295","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Dichloro(methanol-κO)[2-(2-pyridylmethyliminomethyl)phenolato- κ^3^N,N',O]iron(III)","","- C14 H15 Cl2 Fe N2 O2 -","- C14 H15 Cl2 Fe N2 O2 -","- C56 H60 Cl8 Fe4 N8 O8 -","4","1","BT6761","Jin-Hua Zhang; Jun Li; Feng-Xing Zhang; Ng, Seik Weng","Dichloro(methanol-κ<i>O</i>)[2-(2-pyridylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]iron(III)","Acta Crystallographica Section E","2005","61","11","m2338","m2339","10.1107/S1600536805033143","","","0.71073","MoKα","","0.031","0.025","","","0.06","0.062","","","","","","0.96","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207157","10.121","0.003","10.424","0.003","22.891","0.005","88.01","0.03","79.45","0.03","65.94","0.03","2165.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","tris(acetic acid-κO)-μ~3~-oxo-hexakis(μ~2~-trichloroacetato- κ^2^O:O')trimanganese(II,III,III)","","- C18 H12 Cl18 Mn3 O19 -","- C18 H12 Cl18 Mn3 O19 -","- C36 H24 Cl36 Mn6 O38 -","2","1","BT6762","Lis, Tadeusz; Kinzhybalo, Vasyl; Zieba, Krzysztof","A trinuclear mixed-valence manganese carboxylate: tris(acetic acid-κ<i>O</i>)-μ~3~-oxo-hexakis(μ~2~-trichloroacetato-κ^2^<i>O</i>:<i>O</i>')trimanganese(II,III,III)","Acta Crystallographica Section E","2005","61","11","m2382","m2384","10.1107/S1600536805033416","","","0.71073","MoKα","","0.066","0.0543","","","0.0937","0.097","","","","","","1.159","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207158","22.942","0.002","6.7388","0.0007","17.9594","0.0018","90","","116.019","0.002","90","","2495.1","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,9-dimethyl-l,10-phenanthroline dihydrate","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C112 H128 N16 O16 -","8","1","BT6763","Köroglu, Ahmet; Bulut, Ahmet; Uçar, Ibrahim; Nichol, Gary S.; Harrington, Ross W.; Clegg, William","A second monoclinic polymorph of 2,9-dimethyl-1,10-phenanthroline dihydrate","Acta Crystallographica Section E","2005","61","11","o3723","o3725","10.1107/S1600536805033179","","","0.71073","MoKα","","0.0746","0.0622","","","0.1478","0.1541","","","","","","1.223","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207159","6.0754","0.0011","14.343","0.003","7.5288","0.0013","90","","90","","90","","656.1","0.2","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","Violuric acid monohydrate","Violuric acid monohydrate","","- C4 H5 N3 O5 -","- C4 H5 N3 O5 -","- C16 H20 N12 O20 -","4","0.5","BT6764","Nichol, Gary S.; Clegg, William","Violuric acid monohydrate: a definitive redetermination at 150 K","Acta Crystallographica Section E","2005","61","11","o3788","o3790","10.1107/S160053680503343X","","","0.71073","MoKα","","0.0294","0.0282","","","0.0826","0.0849","","","","","","1.103","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207160","14.718","0.002","18.686","0.002","15.32","0.002","90","","104.337","0.002","90","","4082.1","0.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{[(Z)-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4- ylidene)(phenyl)methyl]benzylamido-κ^2^N,O}copper(II)","","- C48 H40 Cu N6 O2 -","- C48 H40 Cu N6 O2 -","- C192 H160 Cu4 N24 O8 -","4","1","BT6765","Bao, Feng; Feng, Juan; Ng, Seik Weng","Bis{<i>N</i>-[(<i>Z</i>)-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)(phenyl)methyl]benzylamido-κ^2^<i>N</i>,<i>O</i>}copper(II)","Acta Crystallographica Section E","2005","61","11","m2393","m2394","10.1107/S1600536805033805","","","0.71073","MoKα","","0.06","0.036","","","0.094","0.111","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207161","11.698","0.001","11.698","","11.661","0.001","90","","90","","120","","1381.94","0.17","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","Cobalt(II) formate hydroxide","poly[μ~3~-formato-μ~3~-hydroxo-cobalt(II)]","","- C H2 Co O3 -","- C H2 Co O3 -","- C18 H36 Co18 O54 -","18","1","BT6766","Fu, Yun-Long; Ren, Jia-Lin; Xu, Zhi-Wei; Ng, Seik Weng","Cobalt(II) formate hydroxide","Acta Crystallographica Section E","2005","61","11","m2395","m2396","10.1107/S1600536805033817","","","0.71073","MoKα","","0.033","0.031","","","0.076","0.077","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207162","19.447","0.002","10.986","0.001","15.084","0.002","90","","121.231","0.002","90","","2755.6","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4,4'-bipyridinium) tetrakis(oxalato-κ^2^O,O')zirconate(IV)","","- C28 H20 N4 O16 Zr -","- C28 H20 N4 O16 Zr -","- C112 H80 N16 O64 Zr4 -","4","0.5","BT6767","Fu, Yun-Long; Ren, Jia-Lin; Xu, Zhi-Wei; Ng, Seik Weng","Bis(4,4'-bipyridinium) tetrakis(oxalato-κ^2^<i>O</i>,<i>O</i>')zirconate(IV)","Acta Crystallographica Section E","2005","61","11","m2397","m2399","10.1107/S1600536805033829","","","0.71073","MoKα","","0.071","0.047","","","0.103","0.112","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207163","21.93","0.004","8.4753","0.0017","24.041","0.005","90","","102.77","0.03","90","","4357.8","1.6","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","not relevant","Bis[(1,4,7,10,13,16-hexaoxocyclooctadecane)caesium(I)] di-μ~2~-diselenido-bis[selenidoarsenate(III)]","","- C24 H48 As2 Cs2 O12 Se6 -","- C24 H48 As2 Cs2 O12 Se6 -","- C96 H192 As8 Cs8 O48 Se24 -","4","1","BT6769","Tobias Van Almsick; William S. Sheldrick","Bis[(1,4,7,10,13,16-hexaoxocyclooctadecane)caesium(I)] di-μ~2~-diselenido-bis[selenidoarsenate(III)]","Acta Crystallographica Section E","2005","61","11","m2431","m2433","10.1107/S1600536805034604","","","0.71073","MoKα","","0.1107","0.0515","","","0.106","0.1226","","","","","","0.944","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207164","21.26","0.006","6.1189","0.001","13.662","0.003","90","","90.35","0.01","90","","1777.2","0.7","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","17-isopropyl-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro- 6H-cyclopenta[a]phenanthrene","","- C22 H32 O -","- C22 H32 O -","- C88 H128 O4 -","4","1","BT6770","Kooijman, Huub; Sarabèr, Florence C. E.; Groot, Aede de; Spek, Anthony L.","17-Isopropyl-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6<i>H</i>-cyclopenta[<i>a</i>]phenanthrene","Acta Crystallographica Section E","2005","61","11","o3908","o3909","10.1107/S1600536805034641","","","0.71073","MoKα","","0.0878","0.0486","","","0.1121","0.1313","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207165","13.962","0.0018","15.403","0.002","16.157","0.002","73.823","0.002","72.46","0.002","68.58","0.002","3028.2","0.7","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,10-phenanthroline)(3-sulfonatobenzoato)zinc(II) trihydrate","","- C31 H26 N4 O8 S Zn -","- C31 H26 N4 O8 S Zn -","- C124 H104 N16 O32 S4 Zn4 -","4","2","BT6771","Zhang, Li-Ping; Zhu, Long-Guan","Bis(1,10-phenanthroline)(3-sulfonatobenzoato)zinc(II) trihydrate","Acta Crystallographica Section E","2005","61","11","m2438","m2439","10.1107/S1600536805034951","","","0.71073","MoKα","","0.123","0.073","","","0.172","0.198","","","","","","1.021","","","","has coordinates","203559","2020-10-21","18:00:00",""
"2207166","8.2864","0.0014","14.469","0.002","17.703","0.003","90","","99.681","0.003","90","","2092.3","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E,E,E)-2-(2-{[3-(2,6-Dichlorophenyl)-1-methyl-trans-2- propenylidene]aminooxymethyl}phenyl)-2-methoxyimino-N-methylacetamide","","- C21 H21 Cl2 N3 O3 -","- C21 H21 Cl2 N3 O3 -","- C84 H84 Cl8 N12 O12 -","4","1","BV6032","Yan, Fan-Yong; Liu Dong-Qing; Zeng Tao; Zhou, Ren-bing; Duan Xue-Min","(<i>E</i>,<i>E</i>,<i>E</i>)-2-(2-{[3-(2,6-Dichlorophenyl)-1-methyl-<i>trans</i>-2-propenylidene]aminooxymethyl}phenyl)-2-methoxyimino-<i>N</i>-methylacetamide","Acta Crystallographica Section E","2005","61","11","o3621","o3622","10.1107/S1600536805031028","","","0.71073","MoKα","","0.0651","0.0421","","","0.102","0.1182","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207167","33.358","0.003","37.815","0.004","9.657","0.001","90","","90","","90","","12182","2","193","2","193","2","","","","","","","","5","F d d 2","F 2 -2d","43","","cis-4-[2-4-Chlorophenyl)ethenyl]-1-methylpyridium tetraphenylborate","","- C38 H33 B Cl N -","- C38 H33 B Cl N -","- C608 H528 B16 Cl16 N16 -","16","1","CF6452","Jin, Dan; Zhang, Feng; Zhang, Yong; Zhang, De-Chun","4-[2-(4-Chlorophenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate","Acta Crystallographica Section E","2005","61","11","o3618","o3620","10.1107/S160053680503151X","","","0.7107","MoKα","","0.0706","0.0584","","","0.133","0.1405","","","","","","1.104","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207168","9.7267","0.0013","16.584","0.002","9.0476","0.0012","90","","100.734","0.002","90","","1433.9","0.3","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","CF6459","Meng, Xiang-Gao; Wu, An-Xin","Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate","Acta Crystallographica Section E","2005","61","11","o3611","o3612","10.1107/S1600536805031387","","","0.71073","MoKα","","0.0801","0.0574","","","0.1506","0.1681","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207169","8.8805","0.0012","14.404","0.002","13.754","0.002","90","","92.423","0.002","90","","1757.8","0.4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","o-Phenylene bis(benzenesulfonate)","","- C18 H14 O6 S2 -","- C18 H14 O6 S2 -","- C72 H56 O24 S8 -","4","1","CF6460","Li Wu; Xue-Fang Shi; Zhi-Yong Xing; Wen-Qin Zhang","<i>o</i>-Phenylene bis(benzenesulfonate)","Acta Crystallographica Section E","2005","61","11","o3684","o3685","10.1107/S1600536805032332","","","0.71073","MoKα","","0.0525","0.0358","","","0.0841","0.0934","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207170","7.434","0.004","5.972","0.002","17.603","0.009","90","","90","","90","","781.5","0.6","296","1","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3,6,7-Tetrahydrobenzo[1,2-b;4,5-b']difuran","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","0.5","CF6462","Jian-Ming Gu; Xiu-Rong Hu; Wei-Ming Xu","2,3,6,7-Tetrahydrobenzo[1,2-<i>b</i>;4,5-<i>b</i>']difuran","Acta Crystallographica Section E","2005","61","11","o3674","o3675","10.1107/S1600536805032083","","","0.71075","MoKα","","","0.0387","","","","0.1134","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207171","15.166","0.001","9.9706","0.0009","12.909","0.001","90","","112.398","0.001","90","","1804.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[trimethyltin(IV)]-μ-(3-trimethylstannylsulfanyl)benzoato- κ^2^O:O']","","- C13 H22 O2 S Sn2 -","- C13 H22 O2 S Sn2 -","- C52 H88 O8 S4 Sn8 -","4","1","CF6463","Zhang, Qing-Fu; Zhang, Ru-Fen; Ma, Chun-Lin; Ng, Seik Weng","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-3-(trimethylstannylsulfanyl)benzoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","11","m2374","m2375","10.1107/S1600536805033866","","","0.71073","MoKα","","0.044","0.026","","","0.065","0.077","","","","","","1.02","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207172","9.6232","0.0005","10.8138","0.0006","27.219","0.002","90","","90","","90","","2832.5","0.3","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Aqua(pyridine-κN)(N-salicylideneglycinato-κ^3^N,O,O')copper(II)","","- C14 H14 Cu N2 O4 -","- C14 H14 Cu N2 O4 -","- C112 H112 Cu8 N16 O32 -","8","2","CF6465","Li, Yu-Guang; Zhu, Hai-Liang; Chen, Xin-Zhi; Ng, Seik Weng","Aqua(pyridine-κ<i>N</i>)(<i>N</i>-salicylideneglycinato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2005","61","11","m2385","m2387","10.1107/S1600536805033647","","","0.71073","MoKα","","0.058","0.041","","","0.108","0.137","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207173","15.11","0.003","9.2097","0.0019","17.084","0.004","90","","90","","90","","2377.4","0.9","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ethopabate","Methyl 4-acetamido-2-ethoxybenzoate","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C96 H120 N8 O32 -","8","1","CF6466","Gao, Fei; Yin, Cai-Xia; Huo, Fang-Jun; Yang, Pin","Ethopabate","Acta Crystallographica Section E","2005","61","11","o3870","o3871","10.1107/S1600536805034082","","","0.71073","MoKα","","0.06","0.037","","","0.0807","0.0863","","","","","","0.866","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207174","4.9309","0.0002","11.7571","0.0004","8.7944","0.0003","90","","99.8608","0.0014","90","","502.31","0.03","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(2-Methyl-3,6-dinitrophenyl)acetamide","","- C9 H9 N3 O5 -","- C9 H9 N3 O5 -","- C18 H18 N6 O10 -","2","1","CF6468","Watkin, David J.; Motherwell, W. D. S.; Cooper, Richard I.; Pantos, Stefan; Steadman, Oliver I.","<i>N</i>-(2-Methyl-3,6-dinitrophenyl)acetamide","Acta Crystallographica Section E","2005","61","11","o3888","o3890","10.1107/S1600536805034355","","","0.71073","MoKα","","0.0242","0.0242","","0.0615","0.0615","0.0615","","","","","","1.0942","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207175","10.1961","0.001","7.56","0.0008","18.243","0.002","90","","105.59","0.02","90","","1354.5","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dihydroechioidinin","5,2'-Dihydroxy-7-methoxyflavanone","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","CI6641","Krishnaiah, M.; Ravi Kumar, R.; Jagadeesh Kumar, N.; Gunasekar, D.; Jayaprakasam, B.","5,2'-Dihydroxy-7-methoxyflavanone","Acta Crystallographica Section E","2005","61","11","o3565","o3567","10.1107/S1600536805030758","","","0.71073","MoKα","","0.1501","0.0638","","","0.1559","0.2006","","","","","","0.963","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207176","19.301","0.002","6.95","0.001","11.173","0.001","90","","90","","90","","1498.8","0.3","298","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","{2,4-Dichloro-6-[2- (dimethylamino)ethyliminomethyl]phenolato}thiocyanatocopper(II)","","- C12 H13 Cl2 Cu N3 O S -","- C12 H13 Cl2 Cu N3 O S -","- C48 H52 Cl8 Cu4 N12 O4 S4 -","4","0.5","CI6642","You, Zhong-Lu","{2,4-Dichloro-6-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatocopper(II)","Acta Crystallographica Section E","2005","61","11","m2226","m2227","10.1107/S1600536805031107","","","0.71073","MoKα","","0.0695","0.048","","","0.1048","0.1149","","","","","","1.021","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207177","10.286","0.003","4.6163","0.0011","17.111","0.004","90","","104.995","0.004","90","","784.8","0.3","292","2","292","2","","","","","","","","4","C 1 2 1","C 2y","5","","5-Methyl L-glutamate","","- C6 H11 N O4 -","- C6 H11 N O4 -","- C24 H44 N4 O16 -","4","1","CI6645","Wu, Yong-Fei; Li, Fen-Fang; Jin, Long-Fei","5-Methyl <small>L</small>-glutamate","Acta Crystallographica Section E","2005","61","11","o3752","o3753","10.1107/S1600536805032952","","","0.71073","MoKα","","0.0567","0.0506","","","0.146","0.1598","","","","","","1.147","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207178","9.912","0.001","8.74","0.002","11.689","0.003","90","","99.51","0.03","90","","998.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Dimethanolbis(quinoline-8-carboxylato-κ^2^N,O)cobalt(II)","","- C22 H20 Co N2 O6 -","- C22 H20 Co N2 O6 -","- C44 H40 Co2 N4 O12 -","2","0.5","CI6659","Che, Guang-Bo; Liu, Chun-Bo; Cui, Yun-Cheng; Li, Chuan-Bi","<i>trans</i>-Dimethanolbis(quinoline-8-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2005","61","11","m2207","m2208","10.1107/S1600536805031211","","","0.71073","MoKα","","0.0458","0.0358","","","0.0839","0.0887","","","","","","1.088","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207179","9.479","0.0004","12.244","0.0005","13.9979","0.0006","75.869","0.001","83.737","0.001","70.93","0.001","1488.23","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Harunmadagacarin B","10,12,12-Tris(3,3-dimethylallyl)-6,7-dihydroxy-2,2,9- trimethyl-1H-pyrano[2,3-b]anthracen-5(12H)-one","","- C35 H42 O4 -","- C35 H42 O4 -","- C70 H84 O8 -","2","1","CI6660","Simeon F. Kouam; M. Iqbal Choudhary; Atta-ur-Rahman; Shazia Anjum; Shamsher Ali","10,12,12-Tris(3,3-dimethylallyl)-6,7-dihydroxy-2,2,9-trimethyl-1<i>H</i>-pyrano[2,3-<i>b</i>]anthracen-5(12<i>H</i>)-one","Acta Crystallographica Section E","2005","61","11","o3545","o3547","10.1107/S1600536805031223","","","0.71073","MoKα","","0.0563","0.0477","","","0.1285","0.1374","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207180","12.479","0.003","15.731","0.004","14.274","0.004","90","","100.59","0.004","90","","2754.4","1.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N-(2-hydroxyethyl)-N'-(2-oxidobenzylidene)ethylenediamine- 1κ^4^O,N,N',O'][μ-N-(2-oxidobenzylidene)-N'-(2-oxidoethyl)ethylenediamine- 1κO:2κ^4^O,N,N',O']dicopper(II) perchlorate methanol solvate","","- C23 H33 Cl Cu2 N4 O9 -","- C23 H33 Cl Cu2 N4 O9 -","- C92 H132 Cl4 Cu8 N16 O36 -","4","1","CI6661","Guang-Jun Xu; Li Feng; Shi-Ping Yan; Dai-Zheng Liao; Zong-Hui Jiang; Peng Cheng","A new Schiff base‒copper(II) complex: [<i>N</i>-(2-hydroxyethyl)-<i>N</i>'-(2-oxidobenzylidene)ethylenediamine-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'][μ-<i>N</i>-(2-oxidobenzylidene)-<i>N</i>'-(2-oxidoethyl)ethylenediamine-1κ<i>O</i>:2κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']dicopper(II) perchlorate methanol solvate","Acta Crystallographica Section E","2005","61","11","m2390","m2392","10.1107/S1600536805033593","","","0.71073","MoKα","","0.0792","0.0455","","","0.1061","0.1255","","","","","","1.101","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207181","12.4196","0.0011","12.1995","0.0011","17.5992","0.0015","90","","107.198","0.002","90","","2547.3","0.4","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-Ethyl 5-amino-1-[4-chlorophenyl-3-(6-chloro-3-pyridylmethylamino)-5,5-dimethyl-2-oxo- 1,3,2-dioxaphosphinan-1-yl]pyrazole-4-carboxylate","","- C23 H26 Cl2 N5 O5 P -","- C23 H26 Cl2 N5 O5 P -","- C92 H104 Cl8 N20 O20 P4 -","4","1","CI6662","Zai-Gang Luo; De-Qing Shi; Xiang-Gao Meng","<i>cis</i>-Ethyl 5-amino-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphinan-1-yl]-3-(6-chloro-3-pyridylmethylamino)-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2005","61","11","o3679","o3681","10.1107/S1600536805032484","","","0.71073","MoKα","","0.0713","0.0461","","","0.113","0.1268","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207182","5.9561","0.0013","12.043","0.005","16.512","0.006","90","","90","","90","","1184.4","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dimethyl naphthalene-1,8-dicarboxylate","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","CI6664","Lin-Hai Jing; Da-Bin Qin; Long He; Shao-Jin Gu; Huan-Xia Zhang; Gang Lei","Dimethyl naphthalene-1,8-dicarboxylate","Acta Crystallographica Section E","2005","61","11","o3595","o3596","10.1107/S160053680503148X","","","0.71073","MoKα","","0.1304","0.0509","","","0.1224","0.1651","","","","","","1.095","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207183","12.655","0.003","16.582","0.003","11.5","0.003","90","","107.708","0.006","90","","2298.9","0.9","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10- decahydroacridine-10-acetic acid","","- C25 H28 Cl N O4 -","- C25 H28 Cl N O4 -","- C100 H112 Cl4 N4 O16 -","4","1","CI6665","Shuj-Jiang Tu; Qian Wang; Jin-Peng Zhang; Xiao-Tong Zhu; Jia-Ning Xu","9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridine-10-acetic acid","Acta Crystallographica Section E","2005","61","11","o3743","o3745","10.1107/S1600536805032903","","","0.7107","MoKα","","0.1319","0.077","","","0.1508","0.1746","","","","","","1.124","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207184","13.305","0.002","10.365","0.002","8.8087","0.0017","90","","90.949","0.004","90","","1214.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Iriflophenone","(4-Hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone monohydrate","","- C13 H12 O6 -","- C13 H12 O6 -","- C52 H48 O24 -","4","1","CI6666","M. Iqbal Choudhary; Suad Naheed; Shazia Anjum; Shama Nasim; Atta-ur-Rahman; Hoong-Kun Fun","(4-Hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone monohydrate","Acta Crystallographica Section E","2005","61","11","o3584","o3586","10.1107/S160053680503165X","","","0.71073","MoKα","","0.1406","0.0669","","","0.1005","0.1247","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207185","7.3381","0.0015","22.166","0.004","9.654","0.0019","90","","99.75","0.03","90","","1547.6","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-methoxo-bis{[diacetyl monoxime (4-methoxybenzoyl)hydrazonato-κ^3^O,N,N']oxovanadium(V)}","","- C26 H32 N6 O10 V2 -","- C26 H32 N6 O10 V2 -","- C52 H64 N12 O20 V4 -","2","0.5","CI6668","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Di-μ-methoxo-bis{[diacetyl monooxime (4-methoxybenzoyl)hydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>']oxovanadium(V)}","Acta Crystallographica Section E","2005","61","11","m2214","m2216","10.1107/S160053680503120X","","","0.71073","MoKα","","0.0555","0.0411","","","0.1094","0.1171","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207186","7.3517","0.0001","7.3268","0.0001","21.1186","0.0004","90","","97.61","0.001","90","","1127.52","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-dihydroxy-2-methylanthra-9,10-quinone","","- C15 H10 O4 -","- C15 H10 O4 -","- C60 H40 O16 -","4","1","CI6670","Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; Sompong Boonsri; Suchada Chantrapromma; Uma Prawat","1,3-Dihydroxy-2-methyl-9,10-anthraquinone","Acta Crystallographica Section E","2005","61","11","o3656","o3658","10.1107/S1600536805031697","","","0.71073","MoKα","","0.0595","0.0455","","","0.1345","0.1477","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207187","4.6661","0.0012","15.11","0.004","23.314","0.006","90","","90","","90","","1643.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N'-(2-Hydroxybenzylidene)-2-(quinolin-8-yloxy)acetohydrazide monohydrate","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","CI6671","Shu-Sheng Zhang; Yong-Hong Wen; Mao-Jie Li; Xue-Mei Li","<i>N</i>'-(2-Hydroxybenzylidene)-2-(quinolin-8-yloxy)acetohydrazide monohydrate","Acta Crystallographica Section E","2005","61","11","o3682","o3683","10.1107/S1600536805032356","","","0.71073","MoKα","","0.0971","0.0625","","","0.1274","0.1425","","","","","","1.122","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207188","7.4026","0.0002","18.4985","0.0004","11.4109","0.0002","90","","109.466","0.001","90","","1473.26","0.06","100","0.1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,5,7-trimethoxy-flavone","3,5,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","CI6672","Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; Nawong Boonnak; Suchada Chantrapromma; Chatchanok Karalai","3,5,7-Trimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section E","2005","61","11","o3653","o3655","10.1107/S1600536805031971","","","0.71073","MoKα","","0.0493","0.0419","","","0.1063","0.1113","","","","","","1.058","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207189","8.1429","0.0001","14.8202","0.0002","10.4493","0.0001","90","","128.771","0.001","90","","983.16","0.02","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DMAP perchlorate salt","4-(N,N-Dimethylamino)pyridinium perchlorate","","- C7 H11 Cl N2 O4 -","- C7 H11 Cl N2 O4 -","- C28 H44 Cl4 N8 O16 -","4","1","CI6674","Rosli Mohd Mustaqim; Shamsher Ali; Ibrahim Abdul Razak; Hoong-Kun Fun; Shyamaprosad Goswami; A. Adak","4-(<i>N</i>,<i>N</i>-Dimethylamino)pyridinium perchlorate","Acta Crystallographica Section E","2005","61","11","o3733","o3734","10.1107/S1600536805032605","","","0.71073","MoKα","","0.0595","0.0497","","","0.1636","0.1735","","","","","","1.072","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207190","16.9406","0.0004","3.8619","0.0001","21.7968","0.0004","90","","106.52","0.01","90","","1367.15","0.09","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-hydroxy-7,4'-dimethoxyflavone","5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","CI6676","Jeannie Bee Jan Teh; Hoong-Kun Fun; Abdul Razak Ibrahim; Suchada Chantrapromma; Nawong Boonnak; Chatchanok Karalai","5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section E","2005","61","11","o3715","o3717","10.1107/S1600536805032551","","","0.71073","MoKα","","0.0755","0.0462","","","0.1111","0.128","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207191","8.222","0.004","19.541","0.008","9.956","0.003","90","","114.31","0.03","90","","1457.8","1.1","293","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(imidazol-1-ylmethyl)naphthalene","","- C18 H16 N4 -","- C18 H16 N4 -","- C72 H64 N16 -","4","1","CI6679","Lin-Hai Jing; Da-Bin Qin; Huan-Xia Zhang; Shao-Jin Gu; Gang Lei; Zhi-Hua Mao","1,4-Bis(imidazol-1-ylmethyl)naphthalene","Acta Crystallographica Section E","2005","61","11","o3923","o3924","10.1107/S1600536805034549","","","0.71073","MoKα","","0.1489","0.0443","","","0.0878","0.1076","","","","","","0.916","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207192","13.4036","0.0003","18.8997","0.0005","7.1512","0.0002","90","","99.675","0.001","90","","1785.8","0.08","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,7-dimethoxyflavone chloroform solvate","5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one chloroform solvate","","- C18 H15 Cl3 O4 -","- C18 H15 Cl3 O4 -","- C72 H60 Cl12 O16 -","4","1","CI6680","Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; Suchada Chantrapromma; Nawong Boonnak; Chatchanok Karalai","5,7-Dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one chloroform solvate","Acta Crystallographica Section E","2005","61","11","o3927","o3929","10.1107/S1600536805034707","","","0.71073","MoKα","","0.0449","0.0412","","","0.0969","0.1017","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207193","7.728","0.001","10.127","0.001","20.237","0.002","90","","90","","90","","1583.8","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dichloro{2,4-dichloro-6-[2-(dimethylamino)ethyliminomethyl]phenolato}zinc(II)","","- C11 H14 Cl4 N2 O Zn -","- C11 H14 Cl4 N2 O Zn -","- C44 H56 Cl16 N8 O4 Zn4 -","4","1","CI6681","You, Zhong-Lu","Dichloro{2,4-dichloro-6-[2-(dimethylamino)ethyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2005","61","11","m2416","m2418","10.1107/S1600536805034744","","","0.71073","MoKα","","0.0621","0.0513","","","0.0937","0.0977","","","","","","1.136","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207194","3.9591","0.0011","20.939","0.005","16.209","0.004","90","","99.844","0.007","90","","1323.9","0.6","297","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bonducellin","2,3-dihydro-7-hydroxy-3-[(4-methoxyphenyl)methylene]-4H-1-benzopyran-4-one","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","CI6686","Sompong Boonsri; Suchada Chantrapromma; Hoong-Kun Fun; Chatchanok Karalai; Akkharawit Kanjana-opas; Shazia Anjum","2,3-Dihydro-7-hydroxy-3-[(4-methoxyphenyl)methylene]-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section E","2005","61","11","o3930","o3932","10.1107/S1600536805034823","","","0.71073","MoKα","","0.0603","0.0438","","","0.0959","0.1063","","","","","","1.082","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207195","7.4425","0.0017","13.989","0.003","18.936","0.004","90","","105.739","0.008","90","","1897.6","0.7","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Br Cl N3 O2 Zn -","- C17 H17 Br Cl N3 O2 Zn -","- C68 H68 Br4 Cl4 N12 O8 Zn4 -","4","1","CV6576","Xiao-Hang Qiu; Xiao-Lan Tong","{2-[2-(1<i>H</i>-Benzimidazol-2-yl)ethyliminomethyl]-4-bromophenolato}chlorozinc(II) methanol solvate","Acta Crystallographica Section E","2005","61","11","m2302","m2304","10.1107/S160053680503254X","","","0.71073","MoKα","","0.089","0.038","","","0.078","0.096","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207196","22.297","0.006","17.257","0.005","23.801","0.007","90","","116.551","0.004","90","","8192","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{2-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine}nickel(II) bis(perchlorate) chloroform disolvate","","- C30 H26 Cl8 N8 Ni O8 -","- C30 H26 Cl8 N8 Ni O8 -","- C240 H208 Cl64 N64 Ni8 O64 -","8","1","CV6583","Song, Rui-Feng; Li, Jian-Rong; Zou, Ru-Qiang","Bis{2-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine}nickel(II) bis(perchlorate) chloroform disolvate","Acta Crystallographica Section E","2005","61","11","m2305","m2307","10.1107/S1600536805032046","","","0.71073","MoKα","","0.1258","0.0599","","","0.1354","0.1657","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2207197","5.739","0.004","10.766","0.0017","22.112","0.005","90","","100.73","0.04","90","","1342.3","1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-2-nitropropyl 3-(3,4-dihydroxyphenyl)prop-2-enoate","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C52 H60 N4 O24 -","4","1","CV6584","Chun-Nian Xia; Wei-Xiao Hu; Wei Zhou","2-Methyl-2-nitropropyl 3-(3,4-dihydroxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2005","61","11","o3757","o3758","10.1107/S1600536805033192","","","0.71073","MoKα","","0.1054","0.0428","","","0.1087","0.1347","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207198","7.688","0.002","10.163","0.002","10.797","0.002","94.08","0.03","101.01","0.03","100.46","0.03","809.4","0.3","295","2","295","3","","","","","","","","5","P -1","-P 1","2","","catena-Poly[tetraaquamanganese(II)-μ-4,4'-bipyridine] catena-poly[diaquamanganate(II)-di-μ-4-carboxyphenoxyacetato] dihydrate","","- C28 H36 Mn2 N2 O18 -","- C28 H36 Mn2 N2 O18 -","- C28 H36 Mn2 N2 O18 -","1","0.5","CV6586","Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","<i>catena</i>-Poly[tetraaquamanganese(II)-μ-4,4'-bipyridine] <i>catena</i>-poly[[diaquamanganate(II)-di-μ-4-carboxyphenoxyacetato] dihydrate]","Acta Crystallographica Section E","2005","61","11","m2270","m2272","10.1107/S1600536805031910","","","0.71073","MoKα","","0.082","0.052","","","0.119","0.136","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207199","15.302","0.008","8.604","0.005","14.872","0.008","90","","90.25","0.01","90","","1958","1.9","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(phenylacetamido)-1H-pyrazole- 3-carbonitrile","","- C19 H11 Cl2 F3 N4 O -","- C19 H11 Cl2 F3 N4 O -","- C76 H44 Cl8 F12 N16 O4 -","4","1","CV6589","Zhang, Xiao-Hong; Chen, Jie-Zhi; Zhong, Ping; Xiao, Hong-Ping; Hu, Mao-Lin","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(phenylacetamido)-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","11","o3676","o3678","10.1107/S1600536805032514","","","0.71073","MoKα","","0.0585","0.0547","","","0.1494","0.1526","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207200","6.8033","0.0006","11.1687","0.001","12.6787","0.0011","99.684","0.001","98.109","0.001","102.614","0.001","910.76","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[[aqua(1,10-phenanthroline)lead(II)]-μ~3~-3-sulfonatobenzoato]","","- C19 H14 N2 O6 Pb S -","- C19 H14 N2 O6 Pb S -","- C38 H28 N4 O12 Pb2 S2 -","2","1","CV6590","Ma, Ai-Qing; Zhu, Long-Guan; Cai, Guo-Qiang","Poly[[aqua(1,10-phenanthroline)lead(II)]-μ~3~-3-sulfonatobenzoato]","Acta Crystallographica Section E","2005","61","11","m2264","m2266","10.1107/S1600536805031995","","","0.71073","MoKα","","0.029","0.027","","","0.069","0.07","","","","","","1.14","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207201","10.4207","0.0018","10.976","0.002","28.962","0.004","90","","90","","90","","3312.6","0.9","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Hexaaquacadmium(II) bis{4-[2-(4-hydroxyphenyl)-2-propyl]phenolate} dihydrate","","- C30 H46 Cd O12 -","- C30 H46 Cd O12 -","- C120 H184 Cd4 O48 -","4","0.5","CV6591","Ai-Yun Fu; Da-Qi Wang; Yong-Ling Sun","Hexaaquacadmium(II) bis{4-[2-(4-hydroxyphenyl)-2-propyl]phenolate} dihydrate","Acta Crystallographica Section E","2005","61","11","m2353","m2354","10.1107/S1600536805033167","","","0.71073","MoKα","","0.0962","0.0488","","","0.1136","0.1436","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207202","9.432","0.002","9.55","0.002","12.711","0.003","83.986","0.004","84.986","0.003","78.772","0.004","1114.2","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-[4-(Benzyloxy)-3-methoxybenzylideneamino]-1,5-dimethyl-2-phenyl-1H- pyrazol-3(2H)-one","","- C26 H25 N3 O3 -","- C26 H25 N3 O3 -","- C52 H50 N6 O6 -","2","1","CV6593","Shi Jun","(<i>E</i>)-4-[4-(Benzyloxy)-3-methoxybenzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","11","o3893","o3894","10.1107/S1600536805034537","","","0.71073","MoKα","","0.0682","0.0414","","","0.1107","0.1306","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207203","6.148","0.003","36.651","0.015","7.938","0.003","90","","93.551","0.007","90","","1785.2","1.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-[4-(Benzyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C80 H68 N12 O12 -","4","1","CV6594","Shi Jun","(<i>E</i>)-1-[4-(Benzyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine","Acta Crystallographica Section E","2005","61","11","o3895","o3896","10.1107/S1600536805034525","","","0.71073","MoKα","","0.1254","0.0496","","","0.1041","0.1274","","","","","","0.995","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207204","6.73","0.002","22.302","0.003","7.4309","0.0009","90","","113.827","0.001","90","","1020.3","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","sodium calcium niobate oxide arsenate","","- As2 Ca1.5 Na Nb2 O12 -","- As2 Ca1.5 Na Nb2 O12 -","- As8 Ca6 Na4 Nb8 O48 -","4","0.5","DN6243","Ben Amor, Rym; Zid, Mohamed Faouzi","NaCa~1.5~(NbO)~2~O~2~(AsO~4~)~2~","Acta Crystallographica, Section E","2005","61","11","i228","i230","10.1107/S1600536805031429","","","0.71073","MoKα","","0.0245","0.0194","","","0.05","0.0514","","","","","","1.101","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2207205","12.586","0.0014","10.3777","0.0012","8.0771","0.0009","90","","102.095","0.002","90","","1031.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(1H-Imidazol-1-yl)1-phenylpropan-1-one","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","DN6254","Xue-Mei Li; Jun Wan; Shu-Sheng Zhang; Ping-Kai Ouyang","3-(1<i>H</i>-Imidazol-1-yl)-1-phenylpropan-1-one","Acta Crystallographica Section E","2005","61","11","o3632","o3633","10.1107/S1600536805031399","","","0.71073","MoKα","","0.0511","0.045","","","0.1164","0.1217","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207206","5.2398","0.001","17.978","0.003","14.476","0.003","90","","94.064","0.003","90","","1360.2","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4,5-Dihydro-3-p-tolyl-1H-pyrazol-1-yl)-2-(1,2,4-triazol-1-yl)ethanone","","- C14 H15 N5 O -","- C14 H15 N5 O -","- C56 H60 N20 O4 -","4","1","DN6256","Ling-Zhong Xu; Yong-Wei Huang; Ya-Xun Yang; Pu-Yong Zhang; Kai Li","1-(4,5-Dihydro-3-<i>p</i>-tolyl-1<i>H</i>-pyrazol-1-yl)-2-(1,2,4-triazol-1-yl)ethanone","Acta Crystallographica Section E","2005","61","11","o3587","o3588","10.1107/S1600536805031594","","","0.71073","MoKα","","0.0921","0.0433","","","0.0999","0.1209","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207207","13.7023","0.0004","6.3493","0.0002","15.6206","0.0005","90","","101.721","0.001","90","","1330.66","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4S,5S,10S,13R,14R,17R)-8α,9α-Epoxy-4α,14α-dimethyl-5α-cholestan-3-one","","- C29 H48 O2 -","- C29 H48 O2 -","- C58 H96 O4 -","2","1","DN6257","Mazoir, N; Giorgi, M.; Benharref, A.","(4<i>S</i>,5<i>S</i>,10<i>S</i>,13<i>R</i>,14<i>R</i>,17<i>R</i>)-8α,9α-Epoxy-4α,14α-dimethyl-5α-cholestan-3-one","Acta Crystallographica Section E","2005","61","11","o3709","o3711","10.1107/S1600536805032460","","","0.71073","MoKα","","0.0914","0.0711","","","0.156","0.1716","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207208","22.2713","0.0012","11.9162","0.0006","17.2698","0.0009","90","","90","","90","","4583.2","0.4","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3,3,6,6-Tetramethyl-9-(2-oxo-1,2-dihydroquinolin-3-yl)- 1,2,3,4,5,6,7,8-octahydro-9H-xanthene-1,8-dione","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C208 H216 N8 O32 -","8","1","DN6258","S. Selvanayagam; Jasmin Paul; D. Velmurugan; K. Ravikumar; R. Rathna Durga","3,3,6,6-Tetramethyl-9-(2-oxo-1,2-dihydroquinolin-3-yl)-1,2,3,4,5,6,7,8-octahydro-9<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2005","61","11","o3701","o3703","10.1107/S1600536805032320","","","0.71073","MoKα","","0.0699","0.0496","","","0.1299","0.1446","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207209","4.1749","0.0012","18.874","0.005","19.335","0.006","90","","90.618","0.005","90","","1523.5","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methoxyphenyl 4-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate","","- C16 H13 Br O6 -","- C16 H13 Br O6 -","- C64 H52 Br4 O24 -","4","1","DN6259","Zheng, Lei; Zheng, Xiu-Fang; Zhang, Dan; Chang, Jun-Biao","4-Methoxyphenyl 4-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate","Acta Crystallographica Section E","2005","61","11","o3786","o3787","10.1107/S1600536805033362","","","0.71073","MoKα","","0.0707","0.0461","","","0.1125","0.1241","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207210","4.466","0.005","9.248","0.005","17.078","0.005","95","0.005","94.336","0.005","102.054","0.005","684","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(Z)-Ethyl 4-chloro-2-[2-(2-chlorophenyl)hydrazono]-3-oxobutanoate","","- C12 H12 Cl2 N2 O3 -","- C12 H12 Cl2 N2 O3 -","- C24 H24 Cl4 N4 O6 -","2","1","DN6260","Alpaslan, Gökhan; Özdamar, Özgür; Odabaşoğlu, Mustafa; Ersanlı, Cem Cüneyt; Erdönmez, Ahmet; Ocak Ískeleli, Nazan","(<i>Z</i>)-Ethyl 4-chloro-2-[2-(2-chlorophenyl)hydrazono]-3-oxobutanoate","Acta Crystallographica Section E","2005","61","11","o3648","o3650","10.1107/S1600536805032022","","","0.71069","MoKα","","0.1041","0.0457","","","0.1052","0.1282","","","","","","0.907","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207211","8.772","0.0018","9.738","0.0019","11.306","0.002","86.02","0.03","74.08","0.03","69.26","0.03","868.1","0.4","295","","295","","","","","","","","","5","P -1","-P 1","2","","3-[(2-Chlorophenyl)amino]-1,3-diphenylprop-2-en-1-one","","- C21 H16 Cl N O -","- C21 H16 Cl N O -","- C42 H32 Cl2 N2 O2 -","2","1","DN6261","Yao-Cheng Shi; Su-Hua Zhang","3-[(2-Chlorophenyl)amino]-1,3-diphenylprop-2-en-1-one","Acta Crystallographica Section E","2005","61","11","o3748","o3749","10.1107/S1600536805032836","","","0.71073","MoKα","","0.0783","0.0529","","","0.1496","0.1859","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207212","9.6605","0.0003","21.2825","0.001","22.8491","0.0011","90","","90","","90","","4697.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-(-)-N,α-dimethylbenzylammonium dioxo[7,15,23-tri-tert-butyl-3,11,19-trioxatetracyclo[19.3.1.1^5,9^.1^13,17^] heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-25,26,27-triolato]uranium trichloromethane solvate","","- C46 H60 Cl3 N O8 U -","- C46 H60 Cl3 N O8 U -","- C184 H240 Cl12 N4 O32 U4 -","4","1","DN6262","Masci, Bernardo; Thuéry, Pierre","The chloroform-solvated uranyl complex of <i>p</i>-<i>tert</i>-butylhexahomotrioxacalix[3]arene with the chiral counter-ion (<i>S</i>)-(‒)-<i>N</i>,α-dimethylbenzylammonium","Acta Crystallographica Section E","2005","61","11","m2278","m2280","10.1107/S1600536805031867","","","0.71073","MoKα","","0.0389","0.0328","","","0.0632","0.0652","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207213","9.1684","0.0016","11.489","0.002","13.889","0.002","90","","93.688","0.003","90","","1460","0.4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-4-methoxybenzaldehyde isonicotinoylhydrazone monohydrate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","DN6263","Liu, Hui-Min; Zhang, Wen-Qin","3-Hydroxy-4-methoxybenzaldehyde isonicotinoylhydrazone monohydrate","Acta Crystallographica Section E","2005","61","11","o3775","o3777","10.1107/S1600536805033374","","","0.71073","MoKα","","0.0712","0.0386","","","0.0905","0.1069","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207214","15.5453","0.0012","17.5491","0.0014","18.1924","0.0012","90","","108.262","0.008","90","","4713","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-pivalamidato-bis[dicarbonyl(triphenylphosphine)ruthenium(II)](Ru—Ru)","","- C50 H50 N2 O6 P2 Ru2 -","- C50 H50 N2 O6 P2 Ru2 -","- C200 H200 N8 O24 P8 Ru8 -","4","1","DN6267","Auzias, Mathieu; Therrien, Bruno; Süss-Fink, Georg","Di-μ-pivalamidato-bis[dicarbonyl(triphenylphosphine)ruthenium(II)](Ru—Ru)","Acta Crystallographica Section E","2005","61","11","m2426","m2427","10.1107/S1600536805034768","","","0.71073","MoKα","","0.0694","0.0342","","","0.0635","0.0683","","","","","","0.828","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207215","12.94","0.002","8.143","0.001","20.114","0.002","90","","90","","90","","2119.4","0.5","300","2","300","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Diethyl 2,6-dimethyl-4-[5-(4-nitrophenyl)-2-furyl]-1,4-dihydropyridine-3,5- dicarboxylate","","- C23 H24 N2 O7 -","- C23 H24 N2 O7 -","- C92 H96 N8 O28 -","4","1","ER6024","Vrábel, Viktor; Fronc, Marek; Svoboda, Ingrid; Marchalín, Štefan; Baumlová, Barbora","Diethyl 2,6-dimethyl-4-[5-(4-nitrophenyl)-2-furyl]-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2005","61","11","o3592","o3594","10.1107/S1600536805031430","","","0.71073","MoKα","","0.0831","0.0636","","","0.1697","0.1862","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207216","7.515","0.003","13.59","0.005","13.172","0.005","90","","94.689","0.007","90","","1340.7","0.9","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-4-methoxybenzaldehyde (pyridine-2-carbonyl)hydrazone","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","ER6030","Wang, Hui; Liu, Hui-Min; Zhang, Wen-Qin","3-Hydroxy-4-methoxybenzaldehyde (pyridine-2-carbonyl)hydrazone","Acta Crystallographica Section E","2005","61","11","o3808","o3809","10.1107/S160053680503357X","","","0.71073","MoKα","","0.0561","0.0393","","","0.0947","0.1069","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207217","9.0753","0.0016","20.924","0.004","11.518","0.002","90","","108.639","0.003","90","","2072.5","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[4-(N,N-Diethylamino)benzylidene]-4-phenyl- 5-(1H-1,2,4-triazol-1-yl)thiazol-2-amine","","- C22 H22 N6 S -","- C22 H22 N6 S -","- C88 H88 N24 S4 -","4","1","FL6189","Zhou, Xin; Shao, Ling; Jin, Zhong; Liu, Jian-Bing; Fang, Jian-Xin","<i>N</i>-[4-(<i>N</i>,<i>N</i>-Diethylamino)benzylidene]-4-phenyl-5-(1<i>H</i>-1,2,4-triazol-1-yl)thiazol-2-amine","Acta Crystallographica Section E","2005","61","11","o3765","o3766","10.1107/S1600536805032733","","","0.71073","MoKα","","0.0998","0.0448","","","0.0956","0.1151","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207218","10.6903","0.0002","10.7487","0.0003","14.9344","0.0004","80.926","0.001","78.379","0.001","68.302","0.001","1555.24","0.07","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","{1,1'-Bis[bis(5-methyl-2-furyl)phosphino]ferrocene- κ^2^P,P'}dichloroplatinum(II) dichloromethane hemisolvate","","- C30.5 H29 Cl3 Fe O4 P2 Pt -","- C30.5 H29 Cl3 Fe O4 P2 Pt -","- C61 H58 Cl6 Fe2 O8 P4 Pt2 -","2","1","FL6190","Fihri, Aziz; Boudon, Julien; Hierso, Jean-Cyrille; Amardeil, Régine; Meunier, Philippe; Richard, Philippe","{1,1'-Bis[bis(5-methyl-2-furyl)phosphino]ferrocene-κ^2^<i>P</i>,<i>P</i>'}dichloroplatinum(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2005","61","11","m2267","m2269","10.1107/S1600536805032034","","","0.71073","MoKα","","0.0415","0.0332","","","0.0733","0.0769","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207219","4.112","0.0006","5.7936","0.0008","14.931","0.002","90","","97.301","0.011","90","","352.82","0.09","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","p-Bromoiodobenzene","","- C6 H4 Br I -","- C6 H4 Br I -","- C12 H8 Br2 I2 -","2","0.5","FL6191","Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Template-directed growth of <i>p</i>-bromoiodobenzene","Acta Crystallographica Section E","2005","61","11","o3822","o3824","10.1107/S1600536805033234","","","0.71073","MoKα","","0.0269","0.0232","","","0.0568","0.059","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207220","5.9278","0.0011","10.234","0.002","11.6013","0.0018","107.311","0.014","100.662","0.014","98.548","0.015","644.6","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","5-Amino-1-methyl-4H-tetrazolium picrate","","- C8 H8 N8 O7 -","- C8 H8 N8 O7 -","- C16 H16 N16 O14 -","2","1","FL6192","Lyakhov, Alexander S.; Sergei V. Voitekhovich; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","5-Amino-1-methyl-4<i>H</i>-tetrazolium picrate","Acta Crystallographica Section E","2005","61","11","o3645","o3647","10.1107/S1600536805031880","","","0.71073","MoKα","","0.0501","0.0439","","","0.125","0.1335","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207221","4.7858","0.0003","12.401","0.0007","17.5319","0.001","90","","95.679","0.005","90","","1035.39","0.11","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-oxo-2,3-dihydro-1,3-benzothiazole-3-acetate","","- C10 H9 N O3 S -","- C10 H9 N O3 S -","- C40 H36 N4 O12 S4 -","4","2","FL6193","Mehmet Akkurt; Sema Öztürk Yıldırım; Yamna Baryala; Abdelfettah Zerzouf; Essassi, El-Mokhtar; Orhan Büyükgüngör","Methyl 2-oxo-2,3-dihydro-1,3-benzothiazole-3-acetate","Acta Crystallographica Section E","2005","61","11","o3872","o3873","10.1107/S1600536805034264","","","0.71073","MoKα","","0.0551","0.0403","","","0.1025","0.1094","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207222","7.0098","0.0004","11.236","0.0007","11.6818","0.0007","98.227","0.001","98.147","0.001","102.232","0.001","875.75","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[aqua(2,2'-bipyridine)(μ~3~-3-sulfonatobenzoato)lead(II)]","","- C17 H14 N2 O6 Pb S -","- C17 H14 N2 O6 Pb S -","- C34 H28 N4 O12 Pb2 S2 -","2","1","FL6194","Zhu, Long-Guan; Xiao, Hong-Ping","Poly[aqua(2,2'-bipyridine)(μ~3~-3-sulfonatobenzoato)lead(II)]","Acta Crystallographica Section E","2005","61","11","m2283","m2285","10.1107/S1600536805032289","","","0.71073","MoKα","","0.034","0.032","","","0.077","0.078","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207223","11.5149","0.0014","8.6821","0.001","14.1549","0.0017","90","","108.2","0.002","90","","1344.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethene-1,1,2,2-tetrayltetramethylene tetrathiocyanate","","- C10 H8 N4 S4 -","- C10 H8 N4 S4 -","- C40 H32 N16 S16 -","4","1","GH6023","Ustabaş, Reşat; Sancak, Kemal; Er, Mustafa; Ünver, Yasemin; Çoruh, Ufuk; Vázquez-López, Ezequiel M.; Yavuz, Metin","Ethene-1,1,2,2-tetrayltetramethylene tetrathiocyanate","Acta Crystallographica Section E","2005","61","11","o3529","o3531","10.1107/S1600536805030709","","","0.71073","MoKα","","0.0549","0.0418","","","0.1122","0.1174","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207224","9.484","0.004","10.796","0.004","18.716","0.008","102.378","0.007","93.416","0.007","113.011","0.008","1700.8","1.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Tris[N-(3-chlorophenyl)pyridine-2-carboxamidato-κ^2^N,N']cobalt(III) monohydrate","","- C36 H26 Cl3 Co N6 O4 -","- C36 H26 Cl3 Co N6 O4 -","- C72 H52 Cl6 Co2 N12 O8 -","2","1","GH6029","Yang, Qi Yun; Yang, Da Wu; Qi, Jian Ying; Zhou, Zhong Yuan; Chan, Albert S. C.","Tris[<i>N</i>-(3-chlorophenyl)pyridine-2-carboxamidato-κ^2^<i>N</i>,<i>N</i>']cobalt(III) monohydrate","Acta Crystallographica Section E","2005","61","11","m2362","m2364","10.1107/S1600536805030953","","","0.71073","MoKα","","0.1618","0.0747","","","0.1663","0.2086","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207225","14.4202","0.0014","7.1619","0.0007","18.5166","0.0018","90","","90","","90","","1912.3","0.3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","12-Methoxy-15-(4-morpholino)podocarpa-8,11,13-trien-15-one","(6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1- yl)morpholin-4-yl-methanone","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","GH6030","Bakare, Oladapo; John, Nicole; Butcher, Ray J.; Zalkow, Leon H.","12-Methoxy-15-(4-morpholino)podocarpa-8,11,13-trien-15-one","Acta Crystallographica Section E","2005","61","11","o3791","o3793","10.1107/S1600536805033386","","","0.71073","MoKα","","0.0506","0.0419","","","0.1057","0.1111","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207226","7.481","0.006","8.2693","0.0012","9.859","0.003","90","","108.76","0.06","90","","577.5","0.5","120","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","calcium octaborate tetrahydroxide","","- B8 Ca H4 O15 -","- B8 Ca H4 O15 -","- B16 Ca2 H8 O30 -","2","1","HB6258","Wiggin, Seth B.; Weller, Mark T.","Redetermination of CaB~8~O~11~(OH)~4~ at low temperature","Acta Crystallographica, Section E","2005","61","11","i243","i245","10.1107/S1600536805029296","","","0.71073","MoKα","","","0.034","","","","0.0752","","","","","","1.054","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207227","12.952","0.005","27.564","0.011","15.147","0.006","90","","104.499","0.006","90","","5235","4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(benzimidazole)bis(4-hydroxybenzoato)cobalt(II) 0.25-hydrate","","- C28 H22.5 Co N4 O6.25 -","- C28 H22.5 Co N4 O6.25 -","- C224 H180 Co8 N32 O50 -","8","1","HB6264","Yan Zheng; Tian-Tian Pan; Duan-Jun Xu","Bis(benzimidazole)bis(4-hydroxybenzoato)cobalt(II) 0.25-hydrate","Acta Crystallographica Section E","2005","61","11","m2294","m2296","10.1107/S1600536805032472","","","0.71073","MoKα","","0.085","0.042","","","0.091","0.115","","","","","","1.003","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2207228","9.863","0.005","6.458","0.003","13.007","0.007","90","","111.199","0.008","90","","772.4","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","Diaquabis(D-valinato-κ^2^N,O)nickel(II)","diaquabis(2-amino-3-methylbutyrato-κ^2^N,O)nickel(II)","","- C10 H24 N2 Ni O6 -","- C10 H24 N2 Ni O6 -","- C20 H48 N4 Ni2 O12 -","2","0.5","HB6267","Bian, He-Dong; Zhang, Xiu-Qing; Yang, Xiao-E; Yu, Qing; Liang, Hong","Diaquabis(<small>D</small>-valinato-κ^2^<i>N</i>,<i>O</i>)nickel(II)","Acta Crystallographica Section E","2005","61","11","m2237","m2239","10.1107/S1600536805031405","","","0.71073","MoKα","","0.0646","0.0521","","","0.1173","0.1411","","","","","","1.104","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2207229","9.9119","0.001","5.2232","0.0005","10.3877","0.001","90","","95.807","0.002","90","","535.03","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(2,4-pentanedionato)palladium(II)","","- C10 H14 O4 Pd -","- C10 H14 O4 Pd -","- C20 H28 O8 Pd2 -","2","0.5","HB6271","Hamid, Mazhar; Zeller, Matthias; Hunter, Allen D.; Mazhar, Muhammad; Tahir, Asif Ali","Redetermination of bis(2,4-pentanedionato)palladium(II)","Acta Crystallographica Section E","2005","61","11","m2181","m2183","10.1107/S1600536805030692","","","0.71073","MoKα","","0.0256","0.0242","","","0.0659","0.0675","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207230","8.0109","0.0016","8.7198","0.0017","28.718","0.006","90","","90","","90","","2006.1","0.7","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(1-phenylethyl)-1-ferrocenylbenzylamine","α-Ferrocenyl-N-(1-phenylethyl)benzylamine","","- C25 H25 Fe N -","- C25 H25 Fe N -","- C100 H100 Fe4 N4 -","4","1","HB6275","Yin, Zhi-Gang; Qian, Heng-Yu","α-Ferrocenyl-<i>N</i>-(1-phenylethyl)benzylamine","Acta Crystallographica Section E","2005","61","11","m2351","m2352","10.1107/S1600536805033039","","","0.71073","MoKα","","0.0864","0.0582","","","0.1088","0.1131","","","","","","0.994","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207231","10.552","0.002","10.622","0.002","14.881","0.003","92.088","0.004","104.987","0.003","118.429","0.003","1391.7","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Piperazinium fac-tris(salicylato-κ^2^O,O')titanate(IV) dimethylformamide solvate","","- C28 H31 N3 O10 Ti -","- C28 H31 N3 O10 Ti -","- C56 H62 N6 O20 Ti2 -","2","1","HB6276","Jia-Lin Ren; Yun-Long Fu; Zhi-Wei Xu","Piperazinium <i>fac</i>-tris(salicylato-κ^2^<i>O</i>,<i>O</i>')titanate(IV) dimethylformamide solvate","Acta Crystallographica Section E","2005","61","11","m2228","m2229","10.1107/S1600536805031417","","","0.71073","MoKα","","0.0813","0.0569","","","0.1428","0.1765","","","","","","1.065","","","","has coordinates,has Fobs","194583","2020-10-21","18:00:00",""
"2207232","13.0136","0.0002","14.6979","0.0002","15.8864","0.0002","100.982","0.0009","112.315","0.0008","98.9674","0.0008","2671.05","0.07","200","","200","","","","","","","","","6","P -1","-P 1","2","","Bis(μ~3~-4-bromophenylimido)tris(tricarbonylruthenium)(2 Ru—Ru)","","- C21 H8 Br2 N2 O9 Ru3 -","- C21 H8 Br2 N2 O9 Ru3 -","- C84 H32 Br8 N8 O36 Ru12 -","4","2","HB6277","Anthony C. Willis; Waleed K. Mahdi; Mark G. Humphrey","Bis(μ~3~-4-bromophenylimido)tris(tricarbonylruthenium)(2 <i>Ru{—</i>Ru})","Acta Crystallographica Section E","2005","61","11","m2335","m2337","10.1107/S1600536805032885","","","0.71073","MoKα","","0.0397","0.0251","","0.0345","0.0299","0.0299","","","","","","1.0652","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207233","14.877","0.003","7.872","0.002","16.527","0.003","90","","112.04","0.03","90","","1794.1","0.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(9-hydroxyfluorene-9-carboxylato-κ^2^O,O')bis(3-hydroxypyridine- κN)copper(II) methanol disolvate","","- C40 H36 Cu N2 O10 -","- C40 H36 Cu N2 O10 -","- C80 H72 Cu2 N4 O20 -","2","0.5","HB6278","Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","Bis(9-hydroxyfluorene-9-carboxylato-κ^2^<i>O</i>,<i>O</i>')bis(3-hydroxypyridine-κ<i>N</i>)copper(II) methanol disolvate","Acta Crystallographica Section E","2005","61","11","m2192","m2193","10.1107/S1600536805031156","","","0.71073","MoKα","","0.037","0.033","","","0.099","0.101","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207234","9.354","0.002","14.876","0.003","10.231","0.002","90","","109.58","0.03","90","","1341.3","0.5","295","2","295","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis[(pyridine-κN)zinc(II)](Zn—Zn)-μ~4~-carboxylatophenoxyacetato]","","- C28 H22 N2 O10 Zn2 -","- C28 H22 N2 O10 Zn2 -","- C56 H44 N4 O20 Zn4 -","2","0.5","HB6279","Huo, Li-Hua; Gao, Shan; Ng, Seik Weng","Poly[bis[(pyridine-κ<i>N</i>)zinc(II)](<i>Zn</i>—<i>Zn</i>)-μ~4~-carboxylatophenoxyacetato]","Acta Crystallographica Section E","2005","61","11","m2254","m2255","10.1107/S1600536805031788","","","0.71073","MoKα","","0.043","0.032","","","0.075","0.08","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207235","9.6189","0.0018","10.639","0.002","10.986","0.002","79.523","0.003","64.995","0.003","70.574","0.003","959.8","0.3","293","2","","","","","","","","","","6","P -1","-P 1","2","","Poly[[tris(μ~2~-4,4'-bipyridyl-κ^2^N:N')bis(μ~2~-nitrato-κ^2^O,O') hexa-μ~2~oxo-dioxodimolybdenumtricopper(II)] tetrahydrate]","","- C30 H32 Cu3 Mo2 N8 O18 -","- C30 H24 Cu3 Mo2 N8 O18 -","- C30 H24 Cu3 Mo2 N8 O18 -","1","0.5","HB6280","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zhang, Lan-Sun","Poly[[tris(μ~2~-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>')bis(μ~2~-nitrato-κ^2^<i>O</i>,<i>O</i>')hexa-μ~2~-oxo-dioxodimolybdenumtricopper(II)] tetrahydrate]: a polymeric hybrid framework containing Cu^2+^, 4,4-bipyridine, [MoO~4~]^2{-^} and NO~3~^{-^} building units","Acta Crystallographica Section E","2005","61","11","m2346","m2347","10.1107/S160053680503268X","","","0.71073","MoKα","","0.0339","0.0321","","","0.0839","0.0851","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207236","10.47","0.02","18.32","0.02","7.646","0.009","90","","103.92","0.05","90","","1424","4","123.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2'-bipyridyl-κ^2^N,N')chloro(glycinato-κ^2^N:O)copper(II) dihydrate","","- C12 H16 Cl Cu N3 O4 -","- C12 H16 Cl Cu N3 O4 -","- C48 H64 Cl4 Cu4 N12 O16 -","4","1","HB6281","Masahiro Yodoshi; Mamiko Odoko; Nobuo Okabe","Redetermination of (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')chloro(glycinato-κ^2^<i>N</i>:<i>O</i>)copper(II) dihydrate","Acta Crystallographica Section E","2005","61","11","m2299","m2301","10.1107/S1600536805032265","","","0.7107","MoKα","","","0.03","","","","0.086","","","","","","0.943","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207237","9.2011","0.0019","10.933","0.002","31.164","0.006","90","","92.821","0.003","90","","3131.2","1.1","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorobis(N,N-di-n-butyldithiocarbamato)phenyltin(IV)","","- C24 H41 Cl N2 S4 Sn -","- C24 H41 Cl N2 S4 Sn -","- C96 H164 Cl4 N8 S16 Sn4 -","4","1","HB6282","Yong-Xin Li; Ru-Fen Zhang; Chun-Lin Ma","Chlorobis(<i>N</i>,<i>N</i>-di-<i>n</i>-butyldithiocarbamato)phenyltin(IV)","Acta Crystallographica Section E","2005","61","11","m2365","m2366","10.1107/S1600536805033635","","","0.71073","MoKα","","0.1341","0.0747","","","0.2064","0.2538","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207238","13.1155","0.0012","8.9953","0.0011","14.0924","0.0012","90","","92.59","0.002","90","","1660.9","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')bis(glycinato-κ^2^N,O)cobalt(II) dihydrate","","- C10 H18 Co N6 O6 S2 -","- C10 H18 Co N6 O6 S2 -","- C40 H72 Co4 N24 O24 S8 -","4","0.5","HB6283","Jian-Yong Yu; Bing-Xin Liu; Duan-Jun Xu","(2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')bis(glycinato-κ^2^<i>N</i>,<i>O</i>)cobalt(II) dihydrate","Acta Crystallographica Section E","2005","61","11","m2232","m2233","10.1107/S1600536805031612","","","0.71073","MoKα","","0.026","0.024","","","0.065","0.066","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207239","9.228","0.001","13.363","0.002","13.222","0.002","90","","107.783","0.001","90","","1552.6","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(3-hydroxypyridine-2-carboxylato)dimethyltin(IV)","","- C14 H14 N2 O6 Sn -","- C14 H14 N2 O6 Sn -","- C56 H56 N8 O24 Sn4 -","4","0.5","HB6285","Tian, Guang-Ru; Zhang, Ru-Fen; Ma, Chun-Lin; Ng, Seik Weng","Bis(3-hydroxypyridine-2-carboxylato)dimethyltin(IV)","Acta Crystallographica Section E","2005","61","11","m2276","m2277","10.1107/S1600536805032277","","","0.71073","MoKα","","0.041","0.034","","","0.085","0.09","","","","","","1.06","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207240","7.0335","0.0007","10.2471","0.0008","9.484","0.0008","90","","106.83","0.006","90","","654.26","0.1","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","catena-Poly[[chloro(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')cadmium(II)]- μ-glycinato-κ^2^N,O:O']","","- C8 H10 Cd Cl N5 O2 S2 -","- C8 H10 Cd Cl N5 O2 S2 -","- C16 H20 Cd2 Cl2 N10 O4 S4 -","2","1","HB6286","Bing-Xin Liu; Jian-Yong Yu; Duan-Jun Xu","<i>catena</i>-Poly[[chloro(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-glycinato-κ^2^<i>N</i>,<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","11","m2291","m2293","10.1107/S1600536805032071","","","0.71073","MoKα","","0.014","0.014","","","0.033","0.034","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207241","10.148","0.002","9.098","0.0019","15.967","0.003","90","","103.868","0.003","90","","1431.2","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(3-Ethoxy-4-hydroxybenzylidene)-2-(4-nitrophenyl)hydrazine","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","1","HB6287","Zhen, Xiao-Li; Han, Jian-Rong","(<i>E</i>)-1-(3-Ethoxy-4-hydroxybenzylidene)-2-(4-nitrophenyl)hydrazine","Acta Crystallographica Section E","2005","61","11","o3721","o3722","10.1107/S1600536805032617","","","0.71073","MoKα","","0.0821","0.0402","","","0.091","0.1104","","","","","","0.998","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207242","10.8194","0.0015","9.0434","0.0015","16.998","0.002","90","","96.89","0.012","90","","1651.1","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tris(L-argininium) hexafluorochromate(III) trihydrate","","- C18 H51 Cr F6 N12 O9 -","- C18 H51 Cr F6 N12 O9 -","- C36 H102 Cr2 F12 N24 O18 -","2","1","HB6288","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.","Tris(<small>L</small>-argininium) hexafluorochromate(III) trihydrate","Acta Crystallographica Section E","2005","61","11","m2459","m2461","10.1107/S160053680503504X","","","0.71073","MoKα","","0.0386","0.0278","","","0.0721","0.0758","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2207243","7.2391","0.0009","10.658","0.001","5.988","0.0006","90","","90","","90","","462","0.09","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Magnesium ditellurite","magnesium pentaoxoditellurate(IV)","","- Mg O5 Te2 -","- Mg O5 Te2 -","- Mg4 O20 Te8 -","4","0.5","HB6289","Weil, Matthias","Redetermination of MgTe~2~O~5~","Acta Crystallographica, Section E","2005","61","11","i237","i239","10.1107/S1600536805033751","","","0.71073","MoKα","","0.0207","0.0181","","","0.04","0.041","","","","","","1.245","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2207244","14.816","0.003","7.6177","0.0015","19.153","0.004","90","","90.46","0.03","90","","2161.6","0.8","285","2","285","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Decacarbonyl-1κ^3^C,2κ^3^C,3κ^4^C-(μ-pentafluorophenylhydrazine- 1κN:2κN')-triangulo-triosmium","","- C16 H3 F5 N2 O10 Os3 -","- C16 H3 F5 N2 O10 Os3 -","- C64 H12 F20 N8 O40 Os12 -","4","1","HB6290","Sun, Bai-Wang; Zhang, Mei-Su; Yang, Guo-Ying; Siau, Gek Ang; How, Ghee Ang","Decacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-(μ-pentafluorophenylhydrazine-1κ<i>N</i>:2κ<i>N</i>')-<i>triangulo</i>-triosmium: a hydrazino-edge-bridged triangular triosmium cluster","Acta Crystallographica Section E","2005","61","11","m2419","m2420","10.1107/S1600536805034471","","","0.71073","MoKα","","0.0494","0.0403","","","0.1002","0.1121","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207245","9.414","0.002","9.943","0.002","11.332","0.003","94.829","0.003","98.144","0.003","117.247","0.002","920","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","μ-(furan-2-carbaldehyde azine)-1κ^2^O,N:2κ^2^N',O'-bis[(furan-2-carbaldehyde azine-κ^2^N,O)silver(I)] bis(hexafluorophosphate)","","- C30 H24 Ag2 F12 N6 O6 P2 -","- C30 H24 Ag2 F12 N6 O6 P2 -","- C30 H24 Ag2 F12 N6 O6 P2 -","1","0.5","HB6291","Wang, Le; Dong, Yu-Bin; Ma, Jian-Ping; Huang, Ru-Qi","μ-(Furan-2-carbaldehyde azine)-1κ^2^<i>O</i>,<i>N</i>:2κ^2^<i>N</i>',<i>O</i>'-bis[(furan-2-carbaldehyde azine-κ^2^<i>N</i>,<i>O</i>)silver(I)] bis(hexafluorophosphate): an unusual complex containing two metal atoms and three ligands","Acta Crystallographica Section E","2005","61","11","m2369","m2370","10.1107/S1600536805033611","","","0.71073","MoKα","","0.0514","0.0441","","","0.1066","0.1112","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207246","13.8023","0.0016","19.731","0.003","25.597","0.003","75.823","0.009","74.676","0.01","69.907","0.008","6221.8","1.5","150","","150","","","","","","","","","7","P -1","-P 1","2","","mer-trichloro(dimethyl sulfoxide-κS)(-1,10-phenanthroline)ruthenium(III) chloroform solvate","","- C15 H15 Cl6 N2 O Ru S -","- C15 H15 Cl6 N2 O Ru S -","- C180 H180 Cl72 N24 O12 Ru12 S12 -","12","6","HB6296","Spek, Anthony L.; Tooke, Duncan M.; Garza-Ortiz, Ariadna; Reedijk, Jan","Non-merohedrally twinned <i>mer</i>-trichloro(dimethyl sulfoxide-κ<i>S</i>)(1,10-phenanthroline)ruthenium(III) chloroform solvate, with <i>Z</i>' = 6","Acta Crystallographica Section E","2005","61","11","m2428","m2430","10.1107/S1600536805034756","","","0.71073","MoKα","","0.0786","0.0463","","","0.1136","0.134","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207247","23.543","0.001","8.7177","0.001","18.6177","0.0014","90","","128.484","0.01","90","","2991.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cyclohexylaminium vicrate","Cyclohexylammonium picrate","","- C12 H16 N4 O7 -","- C12 H16 N4 O7 -","- C96 H128 N32 O56 -","8","1","HG6239","Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Krishnan SethuSankar; Kandasamy Sivakumar","Cyclohexylammonium picrate","Acta Crystallographica Section E","2005","61","11","o3605","o3607","10.1107/S1600536805031375","","","0.71073","MoKα","","0.1239","0.0624","","","0.1452","0.1763","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207248","11.585","0.002","6.242","0.001","12.313","0.002","90","","99.73","0.01","90","","877.6","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Neridienone A","12β-hydroxypregna-4,6,16-triene-3,20-dienone","","- C21 H26 O3 -","- C21 H26 O3 -","- C42 H52 O6 -","2","1","HG6249","Kumar, Rishi; Sagar, Ram; Shaw, Arun K.; Maulik, Prakas R.","Neridienone A, a pregnane from the roots of <i>Nerium oleander</i>","Acta Crystallographica Section E","2005","61","11","o3905","o3907","10.1107/S1600536805034446","","","0.71073","MoKα","","0.0667","0.0435","","","0.0878","0.0969","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207249","7.4671","0.0017","11.547","0.003","17.445","0.004","90","","90","","90","","1504.2","0.6","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-1-(p-Tolylsulfonyl)proline ethyl ester","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C56 H76 N4 O16 S4 -","4","1","HG6251","Chen, Yong-Jiang; Xu, Gang; Cui, Yu-Bo; Huang, Wei; Gou, Shao-Hua","1-(<i>p</i>-Tolylsulfonyl)-<small>L</small>-proline ethyl ester","Acta Crystallographica Section E","2005","61","11","o3571","o3573","10.1107/S1600536805031636","","","0.71073","MoKα","","0.0752","0.0477","","","0.0812","0.088","","","","","","0.907","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207250","9.571","0.004","11.794","0.004","11.345","0.005","90","","95.89","0.03","90","","1273.9","0.9","298.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dichloro-6-(piperidin-1-ylmethyl)phenol","","- C12 H15 Cl2 N O -","- C12 H15 Cl2 N O -","- C48 H60 Cl8 N4 O4 -","4","1","HG6252","Kubono, Koji; Oshima, Syunichi; Hirayama, Naoki; Yokoi, Kunihiko","2,4-Dichloro-6-(piperidin-1-ylmethyl)phenol","Acta Crystallographica Section E","2005","61","11","o3706","o3708","10.1107/S1600536805032290","","","0.71069","MoKα","","","0.0394","","","","0.1327","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207251","15.539","0.0002","17.8363","0.0003","11.6349","0.0003","90","","108.658","0.0007","90","","3055.23","0.1","295","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3-(methylamino)-2-(4-methylphenyl)furan-4,5-dicarboxylate","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C128 H136 N8 O40 -","8","2","HG6253","Yunhua Cheng; Cheng Ma","Dimethyl 3-(methylamino)-2-(4-methylphenyl)furan-4,5-dicarboxylate","Acta Crystallographica Section E","2005","61","11","o3688","o3690","10.1107/S1600536805032307","","","0.71069","MoKα","","","0.0529","","","","0.1586","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207252","10.257","0.002","11.856","0.002","12.892","0.003","90","","90","","90","","1567.8","0.5","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Phenyl-3-[(1-phenylethyl)amino]but-2-en-1-one","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","HG6254","Yao-Cheng Shi; Chun-Xia Sui; Hua-Mei Yang","1-Phenyl-3-[(1-phenylethyl)amino]but-2-en-1-one","Acta Crystallographica Section E","2005","61","11","o3574","o3575","10.1107/S1600536805031648","","","0.71073","MoKα","","0.1432","0.0566","","","0.1696","0.212","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207253","7.666","0.004","11.9817","0.0019","12.426","0.003","65.747","0.015","80.79","0.05","72.25","0.03","990.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Hexaacetamidecadmium Triiodide Adduct with Two Iodine Molecules","","- C12 H30 Cd I10 N6 O6 -","- C12 H30 Cd I10 N6 O6 -","- C12 H30 Cd I10 N6 O6 -","1","0.5","HG6255","Elena V. Savinkina; Ilya A. Zamilatskov; Yana F. Al Ansari; Dmitry V. Albov; Aslan Yu. Tsivadze","A woven structure of hexaacetamidecadmium(II) polyiodide","Acta Crystallographica Section E","2005","61","11","m2371","m2373","10.1107/S1600536805032897","","","0.71073","Mokα","","0.1139","0.048","","","0.069","0.0829","","","","","","0.867","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207254","9.3233","0.0008","4.9446","0.0005","10.2051","0.001","90","","91.388","0.005","90","","470.32","0.08","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Phenoxymethyl-1,3,4-oxadiazole-2(3H)-thione","","- C9 H8 N2 O2 S -","- C9 H8 N2 O2 S -","- C18 H16 N4 O4 S2 -","2","1","HG6256","Thamotharan, S.; Parthasarathi, V.; Anandha Babu, G.; Hunnur, Raveendra K.; Badami, Bharati; Linden, Anthony","5-Phenoxymethyl-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","11","o3746","o3747","10.1107/S1600536805033027","","","0.71073","MoKα","","0.0623","0.0465","","","0.0977","0.1046","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207255","9.016","0.003","8.752","0.003","20.664","0.008","90","","100.614","0.014","90","","1602.7","1","296","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","HG6261","Luo, Cheng-Cai; Zhang, Hua-Xing; Wu, Tian-Xing","(3<i>S</i>*,4<i>S</i>*)-1,3,4-Triphenylazetidin-2-one","Acta Crystallographica Section E","2005","61","11","o3956","o3957","10.1107/S1600536805035063","","","0.71075","MoKα","","","0.0364","","","","0.0773","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207256","16.629","0.002","14.9729","0.0019","22.899","0.003","90","","90","","90","","5701.5","1.2","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4,4-Diphenylbuta-1,3-dienyl)-N,N-bis(4-methylphenyl)aniline","","- C36 H31 N -","- C36 H31 N -","- C288 H248 N8 -","8","1","HK6041","Wu, An-Shu; Li, Xiang-Gao; He, Li-Li; Wang, Shi-Rong","4-(4,4-Diphenylbuta-1,3-dienyl)-<i>N</i>,<i>N</i>-bis(4-methylphenyl)aniline","Acta Crystallographica Section E","2005","61","11","o3699","o3700","10.1107/S1600536805032423","","","0.71073","MoKα","","0.1406","0.0504","","","","0.1431","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207257","11.6941","0.0008","7.5492","0.0005","16.7683","0.0012","90","","94.169","0.001","90","","1476.41","0.18","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,E)-4-Hydroxy-3-methoxybenzaldehyde azine","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","HK6042","Qu, Yang; Sun, Xian-Ming","(<i>E</i>,<i>E</i>)-4-Hydroxy-3-methoxybenzaldehyde azine","Acta Crystallographica Section E","2005","61","11","o3828","o3830","10.1107/S1600536805032435","","","0.71073","MoKα","","0.0453","0.0417","","","0.1141","0.1172","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207258","7.934","0.003","10.607","0.004","11.752","0.004","80.89","0.005","75.5","0.006","72.55","0.006","909.7","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1,3-diphenyl-1H-pyrazol-5-yl 4-chlorobenzoate","","- C22 H15 Cl N2 O2 -","- C22 H15 Cl N2 O2 -","- C44 H30 Cl2 N4 O4 -","2","1","HK6045","Li, Jiang-Sheng; Duan, Xue-Min; Huang, Peng-Mian; Zeng, Tao; Fan, Mei-Lian","1,3-Diphenyl-1<i>H</i>-pyrazol-5-yl 4-chlorobenzoate","Acta Crystallographica Section E","2005","61","11","o3862","o3863","10.1107/S1600536805033982","","","0.71073","MoKα","","0.0713","0.0409","","","0.0935","0.1123","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207259","10.95","0.002","5.8163","0.0012","30.968","0.006","90","","91.01","0.004","90","","1972","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(4-Methoxybenzoyl)-6-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H- 1,3-oxazine-2,4-dione","","- C25 H19 N O6 -","- C25 H19 N O6 -","- C100 H76 N4 O24 -","4","1","HK6046","Adams, Harry; Hawxwell, Samuel M.; Mustafa Saçmaci; Şevket Hakan Üngoren; Yunus Akçamur; Recep Sahingoz","5-(4-Methoxybenzoyl)-6-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2<i>H</i>-1,3-oxazine-2,4-dione","Acta Crystallographica Section E","2005","61","11","o3910","o3911","10.1107/S1600536805034719","","","0.71073","MoKα","","0.1089","0.0553","","","0.1247","0.1535","","","","","","0.978","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207260","10.1797","0.0012","12.5347","0.0014","13.6855","0.0016","107.999","0.002","99.985","0.002","90.504","0.002","1632","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H35 N3 O5 -","- C41 H35 N3 O5 -","- C82 H70 N6 O10 -","2","1","HK6047","Adams, Harry; Hawxwell, Samuel M.; Mustafa Saçmaci; Şevket Hakan Üngoren; Yunus Akçamur; Recep Şahi̇ngöz","4,7a-Bis(4-methoxyphenyl)-1,3,7-tris(4-methylphenyl)-2,3,5,6,7,7a-hexahydro-1<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine-2,5,6-trione","Acta Crystallographica Section E","2005","61","11","o3953","o3955","10.1107/S1600536805035191","","","0.71073","MoKα","","0.1143","0.0504","","","0.1051","0.129","","","","","","0.981","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207261","7.5419","0.0016","7.7652","0.0016","12.703","0.003","95.485","0.003","93.302","0.003","118.389","0.003","647","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","Chloro(1-isopropylidene-4-methyl-3-thiosemicarbazidato- κ^2^N^3^,S)dimethyltin(IV)","","- C7 H16 Cl N3 S Sn -","- C7 H16 Cl N3 S Sn -","- C14 H32 Cl2 N6 S2 Sn2 -","2","1","HK6049","Sweise, Abdulrazeq T.; Farina, Yang; Bohari M. Yamin","Chloro(1-isopropylidene-4-methyl-3-thiosemicarbazidato-κ^2^<i>N</i>^3^,<i>S</i>)dimethyltin(IV)","Acta Crystallographica Section E","2005","61","11","m2421","m2423","10.1107/S1600536805034136","","","0.71073","MoKα","","0.025","0.023","","","0.061","0.062","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207262","8.152","0.0017","8.4524","0.0018","13.496","0.003","76.932","0.003","80.645","0.004","61.528","0.003","794.7","0.3","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C36 H36 O12 -","2","1","HK6051","Han, Jian-Rong; Zhen, Xiao-Li","3-[2-(5-Formyl-2-methoxyphenoxy)ethoxy]-4-methoxybenzaldehyde","Acta Crystallographica Section E","2005","61","11","o3946","o3947","10.1107/S1600536805035117","","","0.71073","MoKα","","0.0524","0.0364","","","0.0914","0.1042","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207263","7.136","0.003","10.515","0.004","10.517","0.004","110.553","0.004","91.344","0.005","102.424","0.005","717.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[piperazinium(2+) [hexaaquabis(μ~3~-benzene-1,3,5- tricarboxylato)dinickel(II)] dihydrate]","","- C22 H34 N2 Ni2 O20 -","- C22 H34 N2 Ni2 O20 -","- C22 H34 N2 Ni2 O20 -","1","0.5","IS6125","Han, Jin-Yu; Wei, Wen-Ying","Poly[piperazinium(2+) [hexaaquabis(μ~3~-benzene-1,3,5-tricarboxylato)dinickel(II)] dihydrate]","Acta Crystallographica Section E","2005","61","11","m2242","m2243","10.1107/S160053680503182X","","","0.71073","MoKα","","0.0401","0.0302","","","0.0778","0.0843","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207264","11.39","0.003","9.705","0.003","13.072","0.004","90","","106.532","0.004","90","","1385.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-Methylphenyl)-N-[3-(2-nitrophenyl)prop-2-enylidene]amine","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","IS6128","Xiao-Yan Yang; Ying Li; Xue-Mei Li; Shu-Sheng Zhang","<i>N</i>-(2-Methylphenyl)-<i>N</i>-[3-(2-nitrophenyl)prop-2-enylidene]amine","Acta Crystallographica Section E","2005","61","11","o3634","o3635","10.1107/S1600536805031491","","","0.71073","MoKα","","0.0552","0.0447","","","0.1207","0.13","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207265","14.9935","0.0011","10.1824","0.0007","16.9848","0.0012","90","","98.434","0.002","90","","2565","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dicyclohexylammonium 1-(2-hydroxy-1-naphthyl)-2-naphtholate","","- C32 H37 N O2 -","- C32 H37 N O2 -","- C128 H148 N4 O8 -","4","1","IS6129","Ji-Xin Yuan; Li Li; Xin-Yuan Song; Zhi-Min Jin","Dicyclohexylammonium 1-(2-hydroxy-1-naphthyl)-2-naphtholate","Acta Crystallographica Section E","2005","61","11","o3712","o3714","10.1107/S1600536805032447","","","0.71073","MoKα","","0.1416","0.0986","","","0.1595","0.1757","","","","","","1.211","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207266","7.485","0.003","8.509","0.004","16.377","0.007","82.938","0.006","78.218","0.006","83.095","0.006","1008.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-{[(4-(4-Methylphenylsulfonamido)benzoyl]methylidene}- 3,4-dihydroquinoxalin-2(1H)-one","","- C23 H19 N3 O4 S -","- C23 H19 N3 O4 S -","- C46 H38 N6 O8 S2 -","2","1","IS6130","Yi-Sheng Xu; Cheng-Chu Zeng; Xue-Mei Li; Ru-Gang Zhong","3-{[4-(4-Methylphenylsulfonamido)benzoyl]methylidene}-3,4-dihydroquinoxalin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","11","o3802","o3804","10.1107/S1600536805033301","","","0.71073","MoKα","","0.0689","0.0422","","","0.1149","0.1267","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207267","6.334","0.0016","12.384","0.003","21.911","0.006","90","","90","","90","","1718.7","0.8","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-17-oxoestra-3,5-dien-3-yl acetate","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","IS6131","Chun-Nian Xia; Wei-Xiao Hu; Wei Zhou","3-Hydroxy-17-oxoestra-3,5-dien-3-yl acetate","Acta Crystallographica Section E","2005","61","11","o3754","o3756","10.1107/S1600536805032812","","","0.71073","MoKα","","0.1359","0.0499","","","0.1632","0.2294","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207268","7.1783","0.0018","8.501","0.002","14.108","0.003","78.294","0.003","76.293","0.003","83.317","0.004","816.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Dibromobis(4-methoxypyridine N-oxide-κO)zinc(II)","","- C12 H14 Br2 N2 O4 Zn -","- C12 H14 Br2 N2 O4 Zn -","- C24 H28 Br4 N4 O8 Zn2 -","2","1","IS6132","Shi, Jing Min; Zhang, Feng Xia; Wu, Chang Ju; Liu, Lian Dong","Dibromobis(4-methoxypyridine <i>N</i>-oxide-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2005","61","11","m2262","m2263","10.1107/S1600536805031922","","","0.71073","MoKα","","0.059","0.0405","","","0.0951","0.1022","","","","","","0.991","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207269","11.76","0.0016","9.5328","0.0013","15.3997","0.0016","90","","118.103","0.008","90","","1522.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(dimethylammonium) aquadioxalatocuprate(II) monohydrate","","- C8 H20 Cu N2 O10 -","- C8 H20 Cu N2 O10 -","- C32 H80 Cu4 N8 O40 -","4","1","IS6133","Xin-Hua Li","Bis(dimethylammonium) aquadioxalatocuprate(II) monohydrate","Acta Crystallographica Section E","2005","61","11","m2327","m2328","10.1107/S1600536805032721","","","0.71073","MoKα","","0.028","0.025","","","0.0716","0.0734","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207270","10.3419","0.0019","10.892","0.002","11.592","0.002","90","","102.982","0.003","90","","1272.4","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-2'-chloro-5-methylbenzophenone","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","IS6135","Zhi-Yong Xing; Hui-Min Liu; Li Wu; Wen-Qin Zhang","2-Amino-2'-chloro-5-methylbenzophenone","Acta Crystallographica Section E","2005","61","11","o3796","o3797","10.1107/S1600536805033313","","","0.71073","MoKα","","0.0722","0.0447","","","0.1071","0.1238","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207271","11.493","0.007","9.591","0.005","10.456","0.004","90","","94.211","0.019","90","","1149.4","1","296","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-phenylselenazolium bromide monohydrate","","- C9 H11 Br N2 O Se -","- C9 H11 Br N2 O Se -","- C36 H44 Br4 N8 O4 Se4 -","4","1","IS6136","Xiu-Rong Hu; You-Chu Zhang; Jian-Ming Gu","2-Amino-4-phenylselenazolium bromide monohydrate","Acta Crystallographica Section E","2005","61","11","o3881","o3882","10.1107/S1600536805033945","","","0.71075","MoKα","","","0.0301","","","","0.0767","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207272","7.0788","0.0013","18.66","0.003","8.6256","0.0016","90","","96.649","0.009","90","","1131.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridine‒2-nitrobenzonic acid (1/2)","","- C24 H18 N4 O8 -","- C24 H18 N4 O8 -","- C48 H36 N8 O16 -","2","0.5","IS6137","Yu-Mei Dai; Jin-Feng Huang; Hui-Ying Shen","4,4'-Bipyridine‒2-nitrobenzonic acid (1/2)","Acta Crystallographica Section E","2005","61","11","o3919","o3920","10.1107/S1600536805034513","","","0.71073","MoKα","","","0.0744","","","0.1436","0.1563","","","","","","1.186","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207273","7.5209","0.001","19.221","0.003","18.971","0.003","90","","96.265","0.002","90","","2726.1","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N-Benzoyl-N'-(3-hydroxy-4-methoxybenzylidene)hydrazine","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","2","IS6140","Shi, Jun","(<i>E</i>)-<i>N</i>-Benzoyl-<i>N</i>'-(3-hydroxy-4-methoxybenzylidene)hydrazine","Acta Crystallographica Section E","2005","61","11","o3917","o3918","10.1107/S1600536805034653","","","0.71073","MoKα","","0.0808","0.0445","","","0.1016","0.1205","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207274","11.289","0.002","8.638","0.0017","14.193","0.003","90","","113.42","0.03","90","","1270","0.5","288","2","288","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-Benzylbenzene-1,2,4-tricarbonitrile","","- C16 H9 N3 -","- C16 H9 N3 -","- C64 H36 N12 -","4","1","JH6020","Yan-Guang Wang; Hui-Ying An; Zhi-Feng Lu; Lin Wu; Jian-Hua Xu","5-Benzylbenzene-1,2,4-tricarbonitrile","Acta Crystallographica Section E","2005","61","11","o3543","o3544","10.1107/S1600536805031260","","","0.71073","MoKα","","0.0927","0.0518","","","0.1132","0.1244","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207275","14.692","0.004","7.805","0.002","22.048","0.006","90","","108.551","0.004","90","","2396.9","1.1","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-[2-(4-Formyl-2-methoxyphenoxy)ethoxy]-3-methoxybenzaldehyde","","- C18 H18 O6 -","- C18 H18 O6 -","- C108 H108 O36 -","6","1.5","KP6051","Diao, Chun-Hua; Guo, Min-Jie; Yu, Ming; Chen, Xin; Jing, Zuo-Liang; Deng, Qi-Liang","4-[2-(4-Formyl-2-methoxyphenoxy)ethoxy]-3-methoxybenzaldehyde","Acta Crystallographica Section E","2005","61","11","o3741","o3742","10.1107/S1600536805032861","","","0.71073","MoKα","","0.0944","0.0624","","","0.1587","0.1912","","","","","","1.078","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207276","26.2","0.005","14.719","0.003","9.5537","0.0019","90","","96.12","0.03","90","","3663.3","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","caesignost","pentaaquadisodium bis(triphenylcyanoborate)","","- C19 H20 B N Na O2.5 -","- C19 H20 B N Na O2.5 -","- C152 H160 B8 N8 Na8 O20 -","8","1","KP6054","Alexander Y. Nazarenko; Victor Nemykin","Pentaaquadisodium bis(triphenylcyanoborate) (caesignost)","Acta Crystallographica Section E","2005","61","11","m2317","m2319","10.1107/S1600536805032241","","","0.71073","MoKα","","0.0703","0.0478","","","0.1274","0.1403","","","","","","1.019","","","","has coordinates,has Fobs","197922","2020-10-21","18:00:00",""
"2207277","4.9175","0.0009","12.524","0.002","20.551","0.004","90","","90","","90","","1265.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(4-Bromophenylimino)methyl]-6-methoxyphenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","KP6060","Zheng, Chun-Sheng; Yang, Nan; Li, Mei; Jing, Zuo-Liang","2-[(4-Bromophenyl)iminomethyl]-6-methoxyphenol","Acta Crystallographica Section E","2005","61","11","o3613","o3614","10.1107/S1600536805031144","","","0.71073","MoKα","","0.0326","0.0278","","","0.0678","0.0698","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207278","12.032","0.0007","17.077","0.0008","17.259","0.0011","90","","103.04","0.005","90","","3454.8","0.3","291","1","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetra-μ-benzoato-κ^8^O:O'-bis[(dimethyl sulfoxide-κO)copper(II)]","","- C32 H32 Cu2 O10 S2 -","- C32 H32 Cu2 O10 S2 -","- C128 H128 Cu8 O40 S8 -","4","1","KP6062","Nenad Judas̆","New polymorph of tetra-μ-benzoato-κ^8^O:O'-bis[(dimethyl sulfoxide-κO)copper(II)]","Acta Crystallographica, Section E","2005","61","11","m2217","m2219","10.1107/S1600536805031302","","","0.71073","MoKα","","","0.0459","","","","0.1336","","","","","","1.026","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207279","9.588","0.002","7.8313","0.0017","13.721","0.003","90","","91.311","0.004","90","","1030","0.4","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[6-(4-Formyl-2-methoxyphenoxy)hexyloxy]-3-methoxybenzaldehyde","","- C22 H26 O6 -","- C22 H26 O6 -","- C44 H52 O12 -","2","0.5","KP6063","Diao, Chun-Hua; Guo, Min-Jie; Yu, Ming; Chen, Xin; Jing, Zuo-Liang","4-[6-(4-Formyl-2-methoxyphenoxy)hexyloxy]-3-methoxybenzaldehyde","Acta Crystallographica Section E","2005","61","11","o3670","o3671","10.1107/S1600536805032253","","","0.71073","MoKα","","0.0925","0.0501","","","0.1445","0.1784","","","","","","1.011","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207280","4.8573","0.0009","8.5362","0.0016","25.368","0.005","90","","95.336","0.003","90","","1047.3","0.3","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-Ethoxy-4-[4-(4-formyl-2-ethoxyphenoxy)butoxy]benzaldehyde","","- C22 H26 O6 -","- C22 H26 O6 -","- C44 H52 O12 -","2","0.5","KP6065","Han, Jian-Rong; Zhen, Xiao-Li","3-Ethoxy-4-[4-(2-ethoxy-4-formylphenoxy)butoxy]benzaldehyde","Acta Crystallographica Section E","2005","61","11","o3844","o3845","10.1107/S1600536805034045","","","0.71073","MoKα","","0.0612","0.0415","","","0.1067","0.1175","","","","","","1.057","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207281","10.133","0.0002","10.369","0.0002","22.404","0.0006","76.969","0.0013","88.381","0.0014","88.366","0.0015","2291.84","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis[(5RS,11RS)-2,8-dimethyl-5,10-methano-5,6,11,12- tetrahydrodibenzo[b,f][1,5]diazocine-5-ium dihydrogen phosphate] tris(phosphoric acid) methanol solvate","","- C35 H55 N4 O21 P5 -","- C35 H55 N4 O21 P5 -","- C70 H110 N8 O42 P10 -","2","1","KP6067","Matulková, Irena; Teubner, Karel; Němec, Ivan; Rohovec, Jan; Mička, Zdeněk","Bis[(5<i>RS</i>,11<i>RS</i>)-2,8-dimethyl-5,10-methano-5,6,11,12-tetrahydrodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine-5-ium dihydrogen phosphate] tris(phosphoric acid) methanol solvate","Acta Crystallographica Section E","2005","61","11","o3941","o3943","10.1107/S1600536805034781","","","0.71073","MoKα","","0.1022","0.0495","","","","0.1297","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207282","16.5325","0.0008","16.0283","0.0011","7.8717","0.0004","90","","94.896","0.004","90","","2078.3","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-carboxylato-5-hydroxy-4-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-1,1-dimethyl- 4,5-dihydro-1H-pyrazol-1-ium monohydrate","","- C21 H24 N2 O7 -","- C21 H24 N2 O7 -","- C84 H96 N8 O28 -","4","1","LH6478","Demir, Sibel; Dinçer, Muharrem; Yıldırım, İsmail; Kayademir, Aslıhan","5-Carboxylato-5-hydroxy-4-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-1,1-dimethyl-4,5-dihydro-1<i>H</i>-pyrazol-1-ium monohydrate","Acta Crystallographica Section E","2005","61","11","o3540","o3542","10.1107/S1600536805031053","","","0.71073","MoKα","","0.074","0.047","","","0.1203","0.1303","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207283","8.474","0.001","13.451","0.0015","10.159","0.003","90","","109.09","0.017","90","","1094.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate","","- C8 H12 N4 O4 -","- C8 H12 N4 O4 -","- C32 H48 N16 O16 -","4","1","LH6491","Guo-Wu Rao; Wei-Xiao Hu","Diethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate","Acta Crystallographica Section E","2005","61","11","o3664","o3665","10.1107/S1600536805030485","","","0.71073","MoKα","","0.098","0.0496","","","0.1389","0.1692","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207284","25.118","0.005","7.3522","0.0009","10.083","0.0017","90","","101.664","0.011","90","","1823.6","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,6-Dihydrobenzo[h]quinazoline","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","2","LH6497","Ingebrigtsen, Truls; Lejon, Tore; Hansen, Lars Kr.","5,6-Dihydrobenzo[<i>h</i>]quinazoline","Acta Crystallographica Section E","2005","61","11","o3659","o3660","10.1107/S160053680503206X","","","0.71069","MoKα","","0.126","0.0701","","","0.2184","0.2453","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207285","7.8728","0.0005","14.1856","0.0002","14.8321","0.0004","63.729","0.008","88.073","0.01","81.464","0.01","1467.95","0.15","295.15","","295.15","","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis(4,4-bipyridine)copper(II) diperchlorate bipyridine tetrasolvate","","- C60 H56 Cl2 Cu N12 O12 -","- C60 H56 Cl2 Cu N12 O12 -","- C60 H56 Cl2 Cu N12 O12 -","1","0.5","LH6498","Huan-Li Dong; Li Xu; Qing-Yan Liu; Rui-Li Sang","Tetraaquabis(4,4-bipyridine)copper(II) bis(perchlorate) bipyridine tetrasolvate","Acta Crystallographica Section E","2005","61","11","m2340","m2342","10.1107/S1600536805032873","","","0.71073","MoKα","","0.0525","0.0425","","","0.1041","0.1112","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207286","7.879","0.002","8.825","0.002","14.927","0.003","99.94","0.03","101.43","0.03","109.04","0.03","929.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4,6-Dimethyl-2-[4-(4-nitrophenyl)piperazin-1- ylmethyl]isothiazolo[5,4-b]pyridin-3(2H)-one","","- C19 H21 N5 O3 S -","- C19 H21 N5 O3 S -","- C38 H42 N10 O6 S2 -","2","1","LH6501","Karczmarzyk Zbigniew; Malinka Wiesław","4,6-Dimethyl-2-[4-(4-nitrophenyl)piperazin-1-ylmethyl]isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","11","o3559","o3561","10.1107/S160053680503117X","","","1.54178","CuKα","","0.0433","0.0419","","","0.132","0.1345","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207287","28.983","0.002","6.0809","0.0005","16.559","0.001","90","","95.397","0.002","90","","2905.5","0.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1H-Indole-3-carbaldehyde 2-nitrophenylhydrazone hemihydrate","","- C16 H13 N4 O3.5 -","- C16 H13 N4 O3.5 -","- C128 H104 N32 O28 -","8","1","LH6504","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng","1<i>H</i>-Indole-3-carbaldehyde 2-nitrobenzoylhydrazone hemihydrate","Acta Crystallographica Section E","2005","61","11","o3651","o3652","10.1107/S1600536805030266","","","0.71073","MoKα","","0.113","0.051","","","0.135","0.174","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207288","9.912","0.008","15.954","0.013","16.685","0.013","90","","94.655","0.011","90","","2630","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(3,5-dicarboxybenzoato-κ^2^O,O')(1,10-phenanthroline)cobalt(II)","","- C30 H18 Co N2 O12 -","- C30 H18 Co N2 O12 -","- C120 H72 Co4 N8 O48 -","4","0.5","LH6510","Han, Jin-Yu; Wei, Wen-Ying; Dou, Xiao; Chang, He-Ying","Bis(3,5-dicarboxybenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline)cobalt(II)","Acta Crystallographica Section E","2005","61","11","m2281","m2282","10.1107/S1600536805032058","","","0.71073","MoKα","","0.059","0.0373","","","0.0978","0.1083","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207289","6.4389","0.0009","9.5462","0.0013","11.0415","0.0015","94.803","0.002","103.666","0.002","96.213","0.002","651.39","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,5-Di-4-pyridyl-1,3,4-oxadiazle‒succinic acid (2/1)","","- C28 H22 N8 O6 -","- C28 H22 N8 O6 -","- C28 H22 N8 O6 -","1","0.5","LH6512","Yong-Tao Wang; Gui-Mei Tang; Da-Wei Qin","2,5-Di-4-pyridyl-1,3,4-oxadiazole‒succinic acid (2/1)","Acta Crystallographica Section E","2005","61","11","o3623","o3624","10.1107/S1600536805031764","","","0.71073","MoKα","","0.0412","0.0374","","","0.1036","0.1079","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207290","6.7913","0.0011","11.7863","0.0018","13.799","0.002","75.463","0.002","81.619","0.003","77.108","0.003","1037.5","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","N'-tert-Butyl-4-chloro-N'-(4-oxo-4H-chromen-3-ylcarbonyl)benzohydrazide 0.65-hydrate","","- C21 H20.3 Cl N2 O4.65 -","- C21 H20.3 Cl N2 O4.65 -","- C42 H40.6 Cl2 N4 O9.3 -","2","1","LH6513","Pei-Liang Zhao; Wei Huang; Zhong-Zhen Zhou; Guang-Fu Yang","<i>N</i>'-<i>tert</i>-Butyl-4-chloro-<i>N</i>'-(4-oxo-4<i>H</i>-chromen-3-ylcarbonyl)benzohydrazide 0.65-hydrate","Acta Crystallographica Section E","2005","61","11","o3738","o3740","10.1107/S1600536805033118","","","0.71073","MoKα","","0.0647","0.0554","","","0.1699","0.1816","","","","","","1.06","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2207291","16.777","0.004","7.4464","0.0015","23.192","0.005","90","","90","","90","","2897.3","1.1","296","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[2-(4-Carboxyphenoxy)ethyl]piperidinium chloride","","- C14 H20 Cl N O3 -","- C14 H20 Cl N O3 -","- C112 H160 Cl8 N8 O24 -","8","1","LH6514","Yong-Jiang Wang; Wen Pei","1-[2-(4-Carboxyphenoxy)ethyl]piperidinium chloride","Acta Crystallographica Section E","2005","61","11","o3813","o3814","10.1107/S1600536805033520","","","0.71075","MoKα","","","0.0323","","","","0.0727","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207292","6.236","0.002","13.263","0.004","8.667","0.003","90","","110.74","0.005","90","","670.4","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(1-Cyano-1-methylbutyl)-1,2,3-benzothiadiazole-7-carboxamide","","- C13 H14 N4 O S -","- C13 H14 N4 O S -","- C26 H28 N8 O2 S2 -","2","1","LH6515","Ying-Wei Ai; Feng-Li Liu; Zhi-Jin Fan; Hai-Bin Song; Kai-Sheng Nie","<i>N</i>-(1-Cyano-1-methylbutyl)-1,2,3-benzothiadiazole-7-carboxamide","Acta Crystallographica Section E","2005","61","11","o3891","o3892","10.1107/S1600536805034379","","","0.71073","MoKα","","0.0487","0.0403","","","0.1001","0.1066","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207293","8.1297","0.0005","19.2452","0.0015","7.4113","0.0004","90","","115.321","0.004","90","","1048.15","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(3-nitrobenzylidene)octane-1,8-diamine","","- C22 H26 N4 O4 -","- C22 H26 N4 O4 -","- C44 H52 N8 O8 -","2","0.5","LH6516","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Sheets of π-stacked centrosymmetric molecules in <i>N</i>,<i>N</i>'-bis(3-nitrobenzylidene)octane-1,8-diamine","Acta Crystallographica Section E","2005","61","11","o3551","o3553","10.1107/S1600536805031065","","","0.71073","MoKα","","0.1339","0.0575","","","0.1279","0.1582","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207294","11.481","0.002","9.2619","0.0019","15.723","0.003","90","","90","","90","","1671.9","0.6","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3-Iodophenyl)[2-(3-iodophenylimino)-1-methylpropylidene]amine","","- C16 H14 I2 N2 -","- C16 H14 I2 N2 -","- C64 H56 I8 N8 -","4","0.5","LH6517","Cho, Hyeon Mo; Moore, Jeffrey S.; Wilson, Scott R.","(3-Iodophenyl)[2-(3-iodophenylimino)-1-methylpropylidene]amine","Acta Crystallographica Section E","2005","61","11","o3767","o3768","10.1107/S1600536805033052","","","0.71073","MoKα","","0.0451","0.0261","","","0.0628","0.068","","","","","","0.992","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207295","10.576","0.002","11.049","0.002","12.907","0.003","90","","90","","90","","1508.2","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N-Dicyclohexyl-2-iodoacetamide","","- C14 H24 I N O -","- C14 H24 I N O -","- C56 H96 I4 N4 O4 -","4","1","LH6518","Cho, Hyeon Mo; Moore, Jeffrey S.; Wilson, Scott R.","<i>N</i>,<i>N</i>-Dicyclohexyl-2-iodoacetamide","Acta Crystallographica Section E","2005","61","11","o3769","o3770","10.1107/S1600536805033064","","","0.71073","MoKα","","0.0299","0.0227","","","0.0473","0.0492","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207296","10.5351","0.0003","11.4008","0.0003","11.8287","0.0004","80.458","0.002","78.076","0.002","89.318","0.002","1370.47","0.07","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","{1-Methyl-2-[3-(trimethylsilylethynyl)phenylimino]propylidene}[3- (trimethylsilylethynyl)phenyl]amine","","- C26 H32 N2 Si2 -","- C26 H32 N2 Si2 -","- C52 H64 N4 Si4 -","2","1","LH6519","Cho, Hyeon Mo; Moore, Jeffrey S.; Wilson, Scott R.","{1-Methyl-2-[3-(trimethylsilylethynyl)phenylimino]propylidene}[3-(trimethylsilylethynyl)phenyl]amine","Acta Crystallographica Section E","2005","61","11","o3771","o3772","10.1107/S1600536805033088","","","0.71073","MoKα","","0.0733","0.0555","","","0.1506","0.1659","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207297","16.262","0.004","4.7074","0.0011","18.708","0.004","90","","98.829","0.004","90","","1415.2","0.6","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-Bis(3-iodophenyl)ethylenediimine","","- C14 H10 I2 N2 -","- C14 H10 I2 N2 -","- C56 H40 I8 N8 -","4","0.5","LH6520","Cho, Hyeon Mo; Moore, Jeffrey S.; Wilson, Scott R.","<i>N</i>,<i>N</i>'-Bis(3-iodophenyl)ethylenediimine","Acta Crystallographica Section E","2005","61","11","o3773","o3774","10.1107/S1600536805033076","","","0.71073","MoKα","","0.0242","0.0212","","","0.0546","0.056","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207298","3.8142","0.0002","23.6852","0.0008","12.5319","0.0005","90","","97.216","0.0016","90","","1123.17","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-3-(4-Chlorophenyl)-2-(2-thienyl)acrylonitrile","","- C13 H8 Cl N S -","- C13 H8 Cl N S -","- C52 H32 Cl4 N4 S4 -","4","1","LH6521","Cobo, Debora; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","(<i>E</i>)-3-(4-Chlorophenyl)-2-(2-thienyl)acrylonitrile: chains built from C—H···N hydrogen bonds","Acta Crystallographica Section E","2005","61","11","o3639","o3641","10.1107/S1600536805031752","","","0.71073","MoKα","","0.0514","0.0394","","","0.0885","0.094","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207299","15.665","0.005","5.47","0.002","17.147","0.007","90","","108.233","0.009","90","","1395.5","0.9","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanyl-L-2-aminobutyric acid","2-(L-alanylamino)-L-butyric acid","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C42 H84 N12 O18 -","6","3","LH6522","Görbitz, Carl Henrik","2-(<small>L</small>-Alanylamino)-<small>L</small>-butyric acid","Acta Crystallographica Section E","2005","61","11","o3735","o3737","10.1107/S1600536805032630","","","0.71073","MoKα","","0.1407","0.066","","","0.1219","0.1452","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207300","9.9942","0.0009","10.3822","0.0009","15.8183","0.0014","90","","90","","90","","1641.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,3,4-Tetra-O-acetyl-α-L-fucopyranose","","- C14 H20 O9 -","- C14 H20 O9 -","- C56 H80 O36 -","4","1","LH6523","Alhassan, Abdul-Basit; Norris, Peter; Zeller, Matthias","1,2,3,4-Tetra-<i>O</i>-acetyl-α-<small>L</small>-fucopyranose","Acta Crystallographica Section E","2005","61","11","o3668","o3669","10.1107/S1600536805032228","","","0.71073","MoKα","","0.034","0.0332","","","0.0848","0.0853","","","","","","1.05","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207301","98.48","0.02","4.9381","0.0003","7.1826","0.0008","90","","92.57","0.012","90","","3489.4","0.8","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Elaidic acid","trans-9-octadecenoic acid","","- C18 H34 O2 -","- C18 H34 O2 -","- C144 H272 O16 -","8","1","LH6524","Low, John Nicolson; Scrimgeour, Charlie; Horton, Peter","Elaidic acid (<i>trans</i>-9-octadecenoic acid)","Acta Crystallographica Section E","2005","61","11","o3730","o3732","10.1107/S1600536805033040","","","0.71073","MoKα","","0.2316","0.1024","","","0.2108","0.2558","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207302","10.0335","0.001","11.8829","0.0012","14.396","0.0015","77.925","0.001","74.887","0.001","79.37","0.001","1604.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Aquabis(1,10-phenanthroline)(3-sulfonatobenzoato)cadmium(II) tetrahydrate","","- C31 H30 Cd N4 O10 S -","- C31 H30 Cd N4 O10 S -","- C62 H60 Cd2 N8 O20 S2 -","2","1","LH6525","Chen, Jian-Mei; Zhu, Long-Guan; Cai, Guo-Qiang","Aquabis(1,10-phenanthroline)(3-sulfonatobenzoato)cadmium(II) tetrahydrate","Acta Crystallographica Section E","2005","61","11","m2324","m2326","10.1107/S1600536805033106","","","0.71073","MoKα","","0.042","0.037","","","0.087","0.089","","","","","","1.061","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207303","9.6052","0.0007","12.8416","0.001","9.0921","0.0007","90","","114.388","0.002","90","","1021.41","0.14","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3-(4-nitrophenylaminocarbonyl)propen-2-oic acid","","- C10 H8 N2 O5 -","- C10 H8 N2 O5 -","- C40 H32 N8 O20 -","4","1","LH6526","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","A hydrogen-bonded chain of rings in (<i>E</i>)-3-(4-nitrophenylaminocarbonyl)prop-2-enoic acid","Acta Crystallographica Section E","2005","61","11","o3849","o3851","10.1107/S160053680503374X","","","0.71073","MoKα","","0.1095","0.0464","","","0.1014","0.1164","","","","","","0.871","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207304","16.978","0.006","7.355","0.003","18.812","0.007","90","","108.867","0.005","90","","2222.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triaqua(pyridine-2,5-dicarboxylato-κ^2^N,O^2^)[4,4,5,5-tetramethyl- 2-(4-pyridyl)imidazoline-1-oxyl-κN^2^]zinc(II)","","- C19 H25 N4 O8 Zn -","- C19 H25 N4 O8 Zn -","- C76 H100 N16 O32 Zn4 -","4","1","LH6529","Dong-Zhao Gao; Zong-Hui Jiang; Dai-Zheng Liao","Triaqua(pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)[4,4,5,5-tetramethyl-2-(4-pyridyl)imidazoline-1-oxyl-κ<i>N</i>^2^]zinc(II)","Acta Crystallographica Section E","2005","61","11","m2446","m2448","10.1107/S1600536805034835","","","0.71073","MoKα","","0.0376","0.0283","","","0.0735","0.0771","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207305","7.5216","0.0005","8.3323","0.0005","12.2228","0.0007","88.287","0.001","89.114","0.001","68.041","0.001","710.13","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Diaquadibenzimidazolebis(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine- 1-acetato)cadmium(II)","","- C26 H24 Cd F2 N8 O10 -","- C26 H24 Cd F2 N8 O10 -","- C26 H24 Cd F2 N8 O10 -","1","0.5","LH6530","Mao-Lin Hu; Xiao-Qing Cai; Zhi-Min Jin","Diaquadibenzimidazolebis(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-acetato)cadmium(II)","Acta Crystallographica Section E","2005","61","11","m2411","m2413","10.1107/S1600536805034380","","","0.71073","MoKα","","0.0255","0.0251","","","0.0669","0.0673","","","","","","1.203","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207306","6.1236","0.0009","13.816","0.0018","21.026","0.003","90","","90","","90","","1778.9","0.4","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","8-acetyl-7-hydroxy-3-isopropenyl-10-methylperhydrophenanthren-1-one","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","LH6535","Kooijman, Huub; Sarabèr, Florence C. E.; Groot, Aede de; Spek, Anthony L.","(3<i>R</i>,5<i>S</i>,6<i>S</i>,8<i>R</i>,10<i>S</i>)-8-Acetyl-7-hydroxy-3-isopropenyl-10-methylperhydrophenanthren-1-one","Acta Crystallographica Section E","2005","61","11","o3921","o3922","10.1107/S1600536805034586","","","0.71073","MoKα","","0.0974","0.0463","","","0.0852","0.0988","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207307","19.628","0.0004","13.1216","0.0003","15.2962","0.0004","90","","109.641","0.0014","90","","3710.34","0.15","295","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dimethyl 3-(benzylamino)-2-(4-fluorophenyl)furan-4,5-dicarboxylate","","- C21 H18 F N O5 -","- C21 H18 F N O5 -","- C168 H144 F8 N8 O40 -","8","1","NC6046","Cheng Ma; Yewei Yang","Dimethyl 3-(benzylamino)-2-(4-fluorophenyl)furan-4,5-dicarboxylate","Acta Crystallographica Section E","2005","61","11","o3548","o3550","10.1107/S1600536805031077","","","0.71069","MoKα","","","0.0394","","","","0.1215","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207308","12.652","0.0009","12.876","0.0009","14.2907","0.0011","85.069","0.006","83.287","0.006","61.629","0.005","2033.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","μ-1,2-Ethanediylbis(diphenylphosphine)-κ^2^P:P'-bis{acetato[1,2- ethanediylbis(diphenylphosphine)-κ^2^P,P']copper(I)} diethyl ether disolvate","","- C90 H98 Cu2 O6 P6 -","- C90 H98 Cu2 O6 P6 -","- C90 H98 Cu2 O6 P6 -","1","0.5","NC6048","Morawitz, Thorsten; Lerner, Hans-Wolfram; Bru Roig, Miriam; Bolte, Michael","μ-1,2-Ethanediylbis(diphenylphosphine)-κ^2^<i>P</i>:<i>P</i>'-bis{acetato[1,2-ethanediylbis(diphenylphosphine)-κ^2^<i>P</i>,<i>P</i>']copper(I)} diethyl ether disolvate","Acta Crystallographica Section E","2005","61","11","m2201","m2203","10.1107/S1600536805031089","","","0.71073","MoKα","","0.1244","0.1186","","","0.2879","0.2911","","","","","","1.133","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207309","10.858","0.002","11.803","0.002","15.378","0.003","97.688","0.003","104.337","0.004","104.019","0.004","1812.8","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","N,N-isopropyl-2,4-pentanediiminato tert-butylcyclopentadienyl ytterbium chloride","(η^5^-tert-Butylcyclopentadienyl)chloro[N,N-(2,6-diisopropylphenyl)pentane-2,4- diiminato]ytterbium(III)","","- C38 H54 Cl N2 Yb -","- C38 H54 Cl N2 Yb -","- C76 H108 Cl2 N4 Yb2 -","2","1","NG6203","Zhang, Yong; Yao, Ying-Ming; Shen, Qi","(η^5^-<i>tert</i>-Butylcyclopentadienyl)chloro[<i>N</i>,<i>N</i>-(2,6-diisopropylphenyl)pentane-2,4-diiminato]ytterbium(III)","Acta Crystallographica Section E","2005","61","11","m2251","m2253","10.1107/S1600536805030965","","","0.7107","MoKα","","0.0268","0.0247","","","0.0575","0.0588","","","","","","1.091","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207310","9.587","0.005","12.569","0.007","13.95","0.007","90","","105.311","0.006","90","","1621.3","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-{[N-Methyl-N-(4-methylphenyl)amino]methyl}ferrocene","","- C19 H21 Fe N -","- C19 H21 Fe N -","- C76 H84 Fe4 N4 -","4","1","NG6206","Hong-Xing Wang; Ying-Jie Li; Hong-Fei Wu; Hui-Chao Zhou; Feng-Ying Geng; Ren-Qing Gao","1-{[<i>N</i>-Methyl-<i>N</i>-(4-methylphenyl)amino]methyl}ferrocene","Acta Crystallographica Section E","2005","61","11","m2322","m2323","10.1107/S1600536805032794","","","0.71073","MoKα","","0.0334","0.028","","","0.0778","0.0807","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207311","7.7274","0.0009","8.0856","0.001","12.1577","0.0015","84.323","0.002","77.986","0.002","69.051","0.001","693.62","0.15","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[2-aminopyridinium [aquacuprate(II)-μ~4~-5-sulfonatosalicylato]]","","- C12 H12 Cu N2 O7 S -","- C12 H12 Cu N2 O7 S -","- C24 H24 Cu2 N4 O14 S2 -","2","1","NG6210","Fan, Sai-Rong; Zhu, Long-Guan","Poly[2-aminopyridinium [aquacuprate(II)-μ~4~-5-sulfonatosalicylato]]","Acta Crystallographica Section E","2005","61","11","m2187","m2189","10.1107/S1600536805030977","","","0.71073","MoKα","","0.037","0.034","","","0.076","0.078","","","","","","1.06","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207312","8.6047","0.0009","10.5469","0.0011","11.7021","0.0013","79.123","0.001","84.585","0.001","67.5","0.001","963.25","0.18","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Diaqua(1,10-phenanthroline)(3-sulfonatobenzoato)copper(II) monohydrate","","- C19 H18 Cu N2 O8 S -","- C19 H18 Cu N2 O8 S -","- C38 H36 Cu2 N4 O16 S2 -","2","1","NG6211","Cai, Lei; Zhu, Long-Guan","Diaqua(1,10-phenanthroline)(3-sulfonatobenzoato)copper(II) monohydrate","Acta Crystallographica Section E","2005","61","11","m2184","m2186","10.1107/S1600536805030989","","","0.71073","MoKα","","0.038","0.033","","","0.086","0.09","","","","","","0.924","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207313","11.32","0.002","10.122","0.002","17.69","0.004","90","","108.28","0.03","90","","1924.6","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[[bis(1H-imidazole)zinc(II)]-μ-3-carboxylatophenoxyacetato] trihydrate]","","- C15 H20 N4 O8 Zn -","- C15 H20 N4 O8 Zn -","- C60 H80 N16 O32 Zn4 -","4","1","NG6219","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","A one-dimensional helical chain polymer: <i>catena</i>-poly[[[bis(1<i>H</i>-imidazole)zinc(II)]-μ-3-carboxylatophenoxyacetato] trihydrate]","Acta Crystallographica Section E","2005","61","11","m2286","m2288","10.1107/S1600536805032204","","","0.71073","MoKα","","0.0523","0.0412","","","0.1036","0.1096","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207314","13.5492","0.0002","8.2515","0.0001","19.2229","0.0003","90","","96.521","0.001","90","","2135.24","0.05","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-(2-Benzoylpyridine-κ^2^N,O)dichloro[2-(pyridine-2-carbonyl)phenyl- κ^2^C^1^,N]rhodium(III)","","- C24 H17 Cl2 N2 O2 Rh -","- C24 H17 Cl2 N2 O2 Rh -","- C96 H68 Cl8 N8 O8 Rh4 -","4","1","NG6227","Mei Ching Tseng; Shao Pin Wang; Yu Cheng Yu; Shi Yuan Sheu; Wen Liang Huang","<i>trans</i>-(2-Benzoylpyridine-κ^2^<i>N</i>,<i>O</i>)dichloro[2-(pyridine-2-carbonyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]rhodium(III)","Acta Crystallographica Section E","2005","61","11","m2452","m2453","10.1107/S1600536805034926","","","0.71073","MoKα","","0.038","0.0304","","","0.078","0.09","","","","","","1.128","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207315","7.1447","0.0011","8.2159","0.0012","10.5031","0.0019","79.558","0.01","81.561","0.013","83.701","0.012","597.56","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","butane-1,4-diammonium tetrathiomolybdate(VI)","butane-1,4-diammonium tetrathiomolybdate(VI)","","- C4 H14 Mo N2 S4 -","- C4 H14 Mo N2 S4 -","- C8 H28 Mo2 N4 S8 -","2","1","NG6228","Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang","Butane-1,4-diammonium tetrathiomolybdate(VI)","Acta Crystallographica Section E","2005","61","11","m2454","m2456","10.1107/S1600536805034938","","","0.71073","MoKα","","0.0414","0.0265","","","0.07","0.0736","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207316","17.492","0.003","9.805","0.002","9.634","0.002","90","","90","","90","","1652.3","0.6","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(4-Chlorophenyl)-1,7,7-trimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione","","- C18 H20 Cl N O2 -","- C18 H20 Cl N O2 -","- C72 H80 Cl4 N4 O8 -","4","1","OB6488","Shujiang Tu; Xiaotong Zhu; Jinpeng Zhang; Jianing Xu; Qian Wang","4-(4-Chlorophenyl)-1,7,7-trimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione","Acta Crystallographica Section E","2005","61","11","o3536","o3537","10.1107/S1600536805008573","","","0.71073","MoKα","","0.0992","0.0591","","","0.1491","0.1785","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207317","12.1055","0.0014","12.1055","0.0014","26.939","0.005","90","","90","","120","","3418.8","0.8","173.1","","","","","","","","","","","5","P 65","P 65","170","","tert-Butoxycarbonyl-L-leucyl-L-alanine trichloroethyl ester","","- C16 H27 Cl3 N2 O5 -","- C16 H27 Cl3 N2 O5 -","- C96 H162 Cl18 N12 O30 -","6","1","OB6564","Oku, Hiroyuki; Endo, Teruya; Yamada, Keiichi; Katakai, Ryoichi","<i>tert</i>-Butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-alanine trichloroethyl ester (Boc-<small>L</small>-Leu-<small>L</small>-Ala-OTce)","Acta Crystallographica Section E","2005","61","11","o3864","o3866","10.1107/S160053680502636X","","","1.5418","CuKα","","","0.0428","","","","0.0789","","","","","","1.057","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207318","11.311","0.009","11.693","0.007","19.417","0.012","90","","90","","90","","2568","3","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-tert-Butoxycarbonyl-O-benzyl-L-threonyl-L-proline trichloroethyl ester","","- C23 H31 Cl3 N2 O6 -","- C23 H31 Cl3 N2 O6 -","- C92 H124 Cl12 N8 O24 -","4","1","OB6568","Oku, Hiroyuki; Kuriyama, Keisuke; Omi, Kazuto; Yamada, Keiichi; Katakai, Ryoichi","<i>O</i>-Benzyl-<i>N</i>-<i>tert</i>-butoxycarbonyl-<small>L</small>-threonyl-<small>L</small>-proline trichloroethyl ester [Boc-<small>L</small>-Thr(Bzl)-<small>L</small>-Pro-OTce]","Acta Crystallographica Section E","2005","61","11","o3867","o3869","10.1107/S1600536805026383","","","1.5418","CuKα","","","0.0628","","","","0.1449","","","","","","0.968","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207319","32.673","0.004","11.7393","0.0016","23.932","0.003","90","","90","","90","","9179","2","93.1","","","","","","","","","","","5","C m c 21","C 2c -2","36","","Diaquabis(3,5-di-tert-butyl-2-hydroxybenzoato-κO^1^) zinc(II) dimethylacetamide trisolvate","","- C42 H73 N3 O11 Zn -","- C42 H70 N3 O11 Zn -","- C336 H560 N24 O88 Zn8 -","8","1","OB6576","Makino, Takashi; Mizuguchi, Jin","Diaquabis(3,5-di-<i>tert</i>-butyl-2-hydroxybenzoato-κ<i>O</i>^1^)zinc(II) dimethylacetamide trisolvate","Acta Crystallographica Section E","2005","61","11","m2220","m2222","10.1107/S1600536805029119","","","1.54187","CuKα","","0.0627","0.0537","","","0.1449","0.1488","","","","","","0.955","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207320","9.7191","0.0014","6.9405","0.0008","35.456","0.004","90","","94.635","0.011","90","","2383.9","0.5","93.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Triaquabis(3,5-di-<i>tert</i>-butyl-2-hydroxybenzoato-κ<i>O</i>^1^)zinc(II) dimethylacetamide trisolvate","","- C42 H75 N3 O12 Zn -","- C42 H67 N3 O12 Zn -","- C84 H134 N6 O24 Zn2 -","2","0.5","OB6583","Makino, Takashi; Mizuguchi, Jin","Triaquabis(3,5-di-<i>tert</i>-butyl-2-hydroxybenzoato-κ<i>O</i>^1^)zinc(II) dimethylacetamide trisolvate","Acta Crystallographica Section E","2005","61","11","m2223","m2225","10.1107/S1600536805029156","","","1.54187","CuKα","","","0.0953","","","","0.2726","","","","","","1.005","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207321","5.341","0.002","9.887","0.001","11.754","0.003","85.212","0.009","85.47","0.01","88.939","0.006","616.5","0.3","296.1","","","","","","","","","","","7","P -1","-P 1","2","","Methyl 5-chloro-2-(trifluoromethylsulfonamido)benzoate","","- C9 H7 Cl F3 N O4 S -","- C9 H7 Cl F3 N O4 S -","- C18 H14 Cl2 F6 N2 O8 S2 -","2","1","OB6590","Kimura, Masaharu; Hourai, Shinji","Methyl 5-chloro-2-{[(trifluoromethyl)sulfonyl]amino}benzoate","Acta Crystallographica Section E","2005","61","11","o3944","o3945","10.1107/S1600536805034902","","","1.5418","CuKα","","","0.105","","","","0.284","","","","","","1.062","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207322","7.9763","0.0014","13.666","0.003","26.241","0.005","93.706","0.003","98.37","0.003","105.294","0.003","2713.7","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-(n-octyloxy)phenyl]diazene oxide","","- C28 H42 N2 O3 -","- C28 H42 N2 O3 -","- C112 H168 N8 O12 -","4","2","OB6591","Das, Purak; Neogi, Debatra Narayan; Upreti, Shailesh; Mandal, Pradip Kumar; Bandyopadhyay, Pinaki","Bis[4-(<i>n</i>-octyloxy)phenyl]diazene oxide","Acta Crystallographica Section E","2005","61","11","o3602","o3604","10.1107/S1600536805031363","","","0.71073","MoKα","","0.1104","0.0709","","","0.1757","0.2003","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207323","37.3866","0.0004","13.9391","0.0002","15.3229","0.0002","90","","105.906","0.001","90","","7679.57","0.17","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(acetonitrile)[4-(4-bromophenyl)-2,6-di-2-pyridyl-1,3,5-triazine](1,3-di-2- pyridyl-2,3-dihydro-1H-imidazolyl)ruthenium(II) bis(hexafluorophosphate","","- C35 H26.5 Br F12 N10.5 P2 Ru -","- C35 H26.5 Br F12 N10.5 P2 Ru -","- C280 H212 Br8 F96 N84 P16 Ru8 -","8","1","OM6263","Medlycott, Elaine A.; Schaper, Frank; Hanan, Garry S.","A hybrid bidentate and tridentate ruthenium(II) complex incorporating triazine and polypyridine carbene ligands","Acta Crystallographica Section E","2005","61","11","m2311","m2313","10.1107/S1600536805032216","","","1.54178","CuKα","","0.0332","0.0331","","","0.0877","0.0878","","","","","","1","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2207324","30.821","0.006","14.136","0.003","15.571","0.003","90","","90","","90","","6784","2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","(2,2'-Bipyridyl)dicarbonylbis(triethoxyphosphine-κP)rhenium(I) hexafluorophosphate","","- C24 H38 F6 N2 O8 P3 Re -","- C24 H38 F6 N2 O8 P3 Re -","- C192 H304 F48 N16 O64 P24 Re8 -","8","2","OM6264","Blake, Alexander J.; George, Michael W.; Kuimova, Marina K.; Williams, Colleen A.; Wilson, Claire","(2,2'-Bipyridyl)dicarbonylbis(triethoxyphosphine-κ<i>P</i>)rhenium(I) hexafluorophosphate","Acta Crystallographica Section E","2005","61","11","m2196","m2197","10.1107/S1600536805030643","","","0.71073","MoKα","","0.0387","0.0329","","","0.0711","0.0735","","","","","","1.15","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207325","13.0386","0.0007","9.0976","0.0005","11.695","0.0007","90","","112.329","0.002","90","","1283.24","0.13","473","2","473","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{2,6-Bis[(dimethylamino)methyl]phenyl-κ^2^N,C^1^,N'}chloronickel(II)","","- C12 H19 Cl N2 Ni -","- C12 H19 Cl N2 Ni -","- C48 H76 Cl4 N8 Ni4 -","4","1","OM6265","Castonguay, Annie; Charbonneau, Fabien; Beauchamp, André L.; Zargarian, Davit","{2,6-Bis[(dimethylamino)methyl]phenyl-κ^2^<i>N</i>,<i>C</i>^1^,<i>N</i>'}chloronickel(II)","Acta Crystallographica Section E","2005","61","11","m2240","m2241","10.1107/S1600536805031624","","","1.54178","CuKα","","0.0346","0.0337","","","0.0914","0.0925","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207326","7.5714","0.0015","10.696","0.002","13.047","0.003","81.98","0.03","85.04","0.03","78.4","0.03","1023","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","[hydrogen N-(phosphonomethyl)iminodiacetato](1,10-phenanthroline)copper(II) trihydrate","","- C17 H22 Cu N3 O10 P -","- C17 H22 Cu N3 O10 P -","- C34 H44 Cu2 N6 O20 P2 -","2","1","RN6059","Almeida Paz, Filipe A.; Shi, Fa-Nian; Trindade, Tito; Klinowski, Jacek; Rocha, João","[Hydrogen <i>N</i>-(phosphonomethyl)iminodiacetato](1,10-phenanthroline)copper(II) trihydrate: a low-temperature redetermination","Acta Crystallographica Section E","2005","61","11","m2247","m2250","10.1107/S1600536805031806","","","0.71073","MoKα","","0.0481","0.0376","","","0.0836","0.0894","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207327","7.2976","0.0011","24.999","0.002","9.2074","0.0014","90","","104.272","0.013","90","","1627.9","0.4","291","0.3","291","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Achexim-S,N,N')-chloro-platinium(II)","[2-Acetylpyridine 1,1-(hexane-1,6-diyl)thiosemicarbazone-κ^3^N,N',S]chloroplatinum(II)","","- C14 H19 Cl N4 Pt S -","- C14 H19 Cl N4 Pt S -","- C56 H76 Cl4 N16 Pt4 S4 -","4","1","RN6064","Kruszynski, Rafal; Bartczak, Tadeusz J.","[2-Acetylpyridine 1,1-(hexane-1,6-diyl)thiosemicarbazone-κ^3^<i>N</i>,<i>N</i>',<i>S</i>]chloroplatinum(II)","Acta Crystallographica Section E","2005","61","11","m2376","m2378","10.1107/S1600536805033398","","","0.71073","MoKα","","0.0563","0.047","","","0.0822","0.0857","","","","","","1.213","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207328","11.2407","0.0018","5.0994","0.0008","13.412","0.002","90","","103.499","0.003","90","","747.5","0.2","292","2","292","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[R-(R*,S*)]-2,2-Dichloro-N-[1-(fluoromethyl)-2-hydroxy-2-[4- (methylsulfonyl)phenyl]ethylacetamide","","- C12 H13 Cl2 F N O4 S -","- C12 H13 Cl2 F N O4 S -","- C24 H26 Cl4 F2 N2 O8 S2 -","2","1","RN6067","Jing Cheng; Neng-Xue Wang; Guang-Fu Yang","2,2-Dichloro-<i>N</i>-{[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide","Acta Crystallographica Section E","2005","61","11","o3628","o3629","10.1107/S1600536805031831","","","0.71073","MoKα","","0.067","0.0531","","","0.1336","0.1549","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2207329","13.045","0.003","16.394","0.003","12.233","0.002","90","","110.85","0.03","90","","2444.8","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-furan-2-selenolato-bis[(furan-2-selenolato)(triphenylphosphine)palladium]","","- C52 H42 O4 P2 Pd2 Se4 -","- C52 H42 O4 P2 Pd2 Se4 -","- C104 H84 O8 P4 Pd4 Se8 -","2","0.5","RZ6122","Wagner, Andreas; Hannu-Kuure, Milja S.; Oilunkaniemi, Raija; Laitinen, Risto S.","Di-μ-furan-2-selenolato-bis[(furan-2-selenolato)(triphenylphosphine)palladium(II)]","Acta Crystallographica Section E","2005","61","11","m2198","m2200","10.1107/S1600536805031247","","","0.71073","MoKα","","0.0538","0.0416","","","0.0945","0.1018","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207330","11.446","0.002","12.166","0.002","12.584","0.002","92.881","0.003","112.681","0.003","99.595","0.003","1581.5","0.5","97","2","97","2","","","","","","","","5","P -1","-P 1","2","","2-Methyl-N,N'-bis[2-(methylsulfanyl)ethyl]-2-(2-pyridyl)-N,N'-ditosylpropane- 1,3-diamine","","- C29 H39 N3 O4 S4 -","- C29 H39 N3 O4 S4 -","- C58 H78 N6 O8 S8 -","2","1","RZ6124","Michels, Janel T.; O'Malley, Briana G.; Klein, Eric L.; Yang, Lei; Grohmann, Andreas; Houser, Robert P.","2-Methyl-<i>N</i>,<i>N</i>'-bis[2-(methylsulfanyl)ethyl]-2-(2-pyridyl)-<i>N</i>,<i>N</i>'-ditosylpropane-1,3-diamine","Acta Crystallographica Section E","2005","61","11","o3834","o3836","10.1107/S1600536805033726","","","0.71073","MoKα","","0.0453","0.0437","","","0.1204","0.1219","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207331","8.6537","0.0018","8.8624","0.0018","10.474","0.002","81.713","0.003","74.134","0.003","84.719","0.003","763.4","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N-Phenyl-N'-(1,3-thiazol-2-yl)-1,2,3-benzothiadiazole-7-carboxamidine","","- C16 H11 N5 S2 -","- C16 H11 N5 S2 -","- C32 H22 N10 S4 -","2","1","RZ6126","Li-Li Bao; Zhi-Jin Fan; Hai-Bin Song; Nie Kaisheng","<i>N</i>-Phenyl-<i>N</i>'-(1,3-thiazol-2-yl)-1,2,3-benzothiadiazole-7-carboxamidine","Acta Crystallographica Section E","2005","61","11","o3817","o3818","10.1107/S1600536805033210","","","0.71073","MoKα","","0.05","0.0358","","","0.0918","0.1033","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207332","16.699","0.004","14.981","0.005","15.205","0.003","90","","115.74","0.03","90","","3426.4","1.8","293","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorobis[2-chloro-5-(chloromethyl)pyridine]copper(II)","","- C24 H20 Cl12 Cu2 N4 -","- C24 H20 Cl12 Cu2 N4 -","- C96 H80 Cl48 Cu8 N16 -","4","0.5","RZ6127","Fangfang Jian; Lan Zhang; Hailian Xiao; Liyun Zhang","Dichlorobis[2-chloro-5-(chloromethyl)pyridine]copper(II)","Acta Crystallographica Section E","2005","61","11","m2388","m2389","10.1107/S1600536805033660","","","0.71073","MoKα","","0.0711","0.0527","","","0.154","0.1688","","","","","","1.047","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207333","8.082","0.003","5.0983","0.0016","16.034","0.005","90","","98.424","0.005","90","","653.5","0.4","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-N-(1-Benzyl-2-hydroxyethyl)benzamide","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","RZ6129","Cai, Yi-Min; Fang, Hua; Jin, Yi; Zeng, Qing-Le; Zhao, Yu-Fen","(<i>S</i>)-<i>N</i>-(1-Benzyl-2-hydroxyethyl)benzamide","Acta Crystallographica Section E","2005","61","11","o3912","o3913","10.1107/S160053680503477X","","","0.71073","MoKα","","0.0356","0.0343","","","0.0878","0.0889","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207334","16.654","0.003","10.646","0.002","7.2599","0.0014","90","","90","","90","","1287.2","0.4","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","An analogue of Iminostilbene or Carbamazepine","5-Chlorocarbonyl-10,11-dihydro-5H-dibenz[b,f]azepine","","- C15 H12 Cl N O -","- C15 H12 Cl N O -","- C60 H48 Cl4 N4 O4 -","4","1","SG6033","Vijay, T.; Anilkumar, H. G.; Yathirajan, H. S.; Narasimhamurthy, T.; Rathore, R. S.","5-Chlorocarbonyl-10,11-dihydro-5<i>H</i>-dibenz[<i>b</i>,<i>f</i>]azepine","Acta Crystallographica Section E","2005","61","11","o3718","o3720","10.1107/S1600536805030746","","","0.71073","MoKα","","0.0887","0.0629","","","0.1105","0.1191","","","","","","1.125","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207335","12.5718","0.0006","19.5538","0.001","13.3217","0.0007","90","","110.547","0.001","90","","3066.5","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","rhodium cod thiolate dimer","Bis[μ-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzenethiolato]bis[(η^4^-3,5- cyclooctadiene)rhodium(I)]","","- C30 H24 F14 Rh2 S2 -","- C30 H24 F14 Rh2 S2 -","- C120 H96 F56 Rh8 S8 -","4","1","SG6034","Jones, William D.; Garcia, Juventino; Torrens, Hugo","Bis[μ-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzenethiolato]bis[(η^4^-3,5-cyclooctadiene)rhodium(I)]","Acta Crystallographica Section E","2005","61","11","m2204","m2206","10.1107/S1600536805031235","","","0.71073","MoKα","","0.0263","0.022","","","0.0505","0.0519","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207336","29.14","0.006","7.646","0.002","14.511","0.003","90","","102.19","0.03","90","","3160.2","1.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene","","- C15 H11 Cl F3 N O4 -","- C15 H11 Cl F3 N O4 -","- C120 H88 Cl8 F24 N8 O32 -","8","1","SG6035","Gao, Shan; Ng, Seik Weng","2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene","Acta Crystallographica Section E","2005","61","11","o3761","o3762","10.1107/S1600536805032757","","","0.71073","MoKα","","0.07","0.05","","","0.147","0.157","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207337","17.056","0.003","9.074","0.002","13.544","0.003","90","","101.88","0.03","90","","2051.3","0.8","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis-2,4-(2-chloro-4-trifluromethylphenoxy)-1-nitrobenzene","","- C20 H9 Cl2 F6 N O4 -","- C20 H9 Cl2 F6 N O4 -","- C80 H36 Cl8 F24 N4 O16 -","4","1","SG6036","Gao, Shan; Ng, Seik Weng","2,4-Bis[2-chloro-4-(trifluoromethyl)phenoxy]-1-nitrobenzene","Acta Crystallographica Section E","2005","61","11","o3763","o3764","10.1107/S1600536805032769","","","0.71073","MoKα","","0.068","0.051","","","0.153","0.164","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207338","7.0989","0.0014","7.9539","0.0016","12.162","0.002","90.79","0.03","105.76","0.03","99.65","0.03","650.3","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","tanshinone I","1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione","","- C18 H12 O3 -","- C18 H12 O3 -","- C36 H24 O6 -","2","1","SJ6122","Zhang, Lei; Wang, Jing-Kang; Qu, Yi; Nie, Qiang","1,6-Dimethylphenanthro[1,2-<i>b</i>]furan-10,11-dione","Acta Crystallographica Section E","2005","61","11","o3582","o3583","10.1107/S1600536805031600","","","0.71073","MoKα","","0.0612","0.0455","","","0.1394","0.1568","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207339","10.485","0.0009","7.823","0.0004","16.297","0.0013","90","","116.949","0.002","90","","1191.59","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-Chlorophenyl)(2-hydroxy-5-methylphenyl)methanone","","- C14 H11 Cl O2 -","- C14 H11 Cl O2 -","- C56 H44 Cl4 O8 -","4","1","SJ6131","Khanum, S. A.; Mahendra, M.; Shashikanth, S.; Doreswamy, B. H.; Sridhar, M. A.; Shashidhara Prasad, J.","(3-Chlorophenyl)(2-hydroxy-5-methylphenyl)methanone","Acta Crystallographica Section E","2005","61","11","o3615","o3617","10.1107/S1600536805031776","","","0.71073","MoKα","","0.0584","0.0494","","","0.133","0.1507","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207340","8.123","0.002","16.65","0.002","16.658","0.002","90","","95.35","0.02","90","","2243.1","0.7","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H36 Cl4 N6 Pt2 -","- C54 H36 Cl4 N6 Pt2 -","- C108 H72 Cl8 N12 Pt4 -","2","0.5","SJ6132","Okabe, Nobuo; Muranishi, Yasunori","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')dichloroplatinum(II)‒2,2'-biquinoline (2/1)","Acta Crystallographica Section E","2005","61","11","m2332","m2334","10.1107/S1600536805032745","","","0.7107","MoKα","","","0.0384","","","","0.097","","","","","","0.957","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207341","9.5694","0.0013","14.3386","0.0019","10.7533","0.0015","90","","109.07","0.002","90","","1394.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Diethanolbis[1-phenyl-3-methyl-4-acetyl-1H-pyrazol-5(4H)-onato- κ^2^O,O']cobalt(II)","","- C28 H34 Co N4 O6 -","- C28 H34 Co N4 O6 -","- C56 H68 Co2 N8 O12 -","2","0.5","SJ6133","Shi, Jing Min; Zhang, Feng Xia; Wu, Chang Ju; Liu, Lian Dong","<i>trans</i>-Bis[4-acetyl-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-onato-κ^2^<i>O</i>,<i>O</i>']diethanolcobalt(II)","Acta Crystallographica Section E","2005","61","11","m2320","m2321","10.1107/S1600536805032678","","","0.71073","MoKα","","0.0413","0.0377","","","0.0959","0.0982","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207342","26.745","0.007","12.52","0.003","22.82","0.006","90","","118.454","0.004","90","","6718","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[14,25-dichloro-2,11-diphenyl-tetracyclo[20.4.0.0^4,9^.0^12,17^]hexacosa-2,10,12,14,16,22,24,26-octaene-19,20-dionato(2-)]nickel(II) dichloromethane sesquisolvate","","- C35.5 H29 Cl5 N4 Ni O2 -","- C35.5 H29 Cl5 N4 Ni O2 -","- C284 H232 Cl40 N32 Ni8 O16 -","8","1","SJ6134","Rui-Hong Zhang; Guang-Ming Yang","A new nickel(II) complex [Ni<i>L</i>]·1.5CH~2~Cl~2~, where H~2~<i>L</i> is 14,25-dichloro-2,11-diphenyl-tetracyclo[20.4.0.0^4,9^.0^12,17^]hexacosa- 2,10,12,14,16,22,24,26-octaene-19,20-dione","Acta Crystallographica Section E","2005","61","11","m2434","m2435","10.1107/S1600536805034628","","","0.71073","MoKα","","0.0777","0.0454","","","0.1082","0.1262","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207343","8.371","0.003","12.462","0.004","12.719","0.004","63.6","0.004","81.88","0.005","85.524","0.005","1176.4","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trichloro[μ-2,2,N-tris(2-pyridylmethylamino)acetamido]dizinc(II)","","- C20 H20 Cl3 N5 O Zn2 -","- C20 H20 Cl3 N5 O Zn2 -","- C40 H40 Cl6 N10 O2 Zn4 -","2","1","SJ6135","Dong-Zhao Gao; Shou-Rong Zhu; Hua-Kuan Lin","Trichloro[μ-2,2,<i>N</i>-tris(2-pyridylmethylamino)acetamido]dizinc(II)","Acta Crystallographica Section E","2005","61","11","m2359","m2361","10.1107/S1600536805033349","","","0.71073","MoKα","","0.051","0.0325","","","0.0682","0.0757","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207344","9.0013","0.0013","10.5217","0.0015","17.152","0.003","90","","102.038","0.003","90","","1588.7","0.4","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-yloxy)benzoate","","- C16 H16 N4 O3 -","- C16 H16 N4 O3 -","- C64 H64 N16 O12 -","4","1","SJ6136","Qiong Chen; Yuan-Xiang Li; Xiao-Wei Hu; Guang-Fu Yang","Ethyl 2-(5,7-dimethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-2-yloxy)benzoate","Acta Crystallographica Section E","2005","61","11","o3842","o3843","10.1107/S1600536805033763","","","0.71073","MoKα","","0.0845","0.0508","","","0.1147","0.128","","","","","","0.914","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207345","15.9928","0.0007","13.4357","0.0006","10.7799","0.0004","90","","92.111","0.002","90","","2314.75","0.17","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(1,8-Dinitro-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane)cobalt(III) tribromide","","- C14 H30 Br3 Co N8 O4 -","- C14 H30 Br3 Co N8 O4 -","- C56 H120 Br12 Co4 N32 O16 -","4","0.5","SJ6138","Mortensen, Louise K.; Bond, Andrew D.; McKenzie, Christine J.","(1,8-Dinitro-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane)cobalt(III) tribromide","Acta Crystallographica Section E","2005","61","11","m2402","m2404","10.1107/S1600536805034094","","","0.71073","MoKα","","0.0356","0.0282","","","0.0699","0.0726","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207346","9.3246","0.0018","15.134","0.003","11.655","0.002","90","","107.787","0.003","90","","1566.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Pyridylamino)pyridinium isophthalate","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C72 H60 N12 O16 -","4","1","SJ6139","Amoore, Jarrod J. M.; Kepert, Cameron J.","4-(4-Pyridylamino)pyridinium isophthalate","Acta Crystallographica Section E","2005","61","11","o3937","o3938","10.1107/S160053680503463X","","","0.71073","MoKα","","0.0436","0.0367","","","0.0936","0.1006","","","","","","1.034","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207347","9.2094","0.0007","10.6365","0.0008","12.6853","0.001","109.775","0.001","111.109","0.001","91.252","0.002","1076.14","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(dimethylammonium) di-μ-pyrazole-3,5-dicarboxylato(3-)-bis[aquacopper(II)] monohydrate","","- C14 H24 Cu2 N6 O11 -","- C14 H24 Cu2 N6 O11 -","- C28 H48 Cu4 N12 O22 -","2","1","SJ6140","Xin-Hua Li","Bis(dimethylammonium) di-μ-pyrazole-3,5-dicarboxylato(3‒)-bis[aquacopper(II)] monohydrate","Acta Crystallographica Section E","2005","61","11","m2405","m2407","10.1107/S1600536805034410","","","0.71073","MoKα","","0.0511","0.0458","","","0.1054","0.109","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207348","11.0418","0.0017","8.0714","0.0012","41.313","0.007","90","","90","","90","","3681.9","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-N'-(4-Benzyloxy-3-methoxybenzylidene)isonicotinohydrazide","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C168 H152 N24 O24 -","8","1","SJ6142","Shi, Jun","(<i>E</i>)-<i>N</i>'-(4-Benzyloxy-3-methoxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2005","61","11","o3933","o3934","10.1107/S1600536805034872","","","0.71073","MoKα","","0.092","0.0469","","","0.1008","0.1183","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207349","11.516","0.003","15.44","0.004","7.977","0.002","90","","109.548","0.005","90","","1336.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(3-Hydroxy-4-methoxybenzylidene)isonicotinohydrazide","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","SJ6143","Shi Jun","(<i>E</i>)<i>-N</i>'-(3-Hydroxy-4-methoxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2005","61","11","o3935","o3936","10.1107/S1600536805034884","","","0.71073","MoKα","","0.1392","0.0442","","","0.0673","0.0846","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207350","17.932","0.004","7.4244","0.0015","15.067","0.003","90","","90","","90","","2005.9","0.7","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","catena-Poly[[triaquanickel(II)]-μ-5-hydroxyisophthalato]","","- C8 H10 Ni O8 -","- C8 H10 Ni O8 -","- C64 H80 Ni8 O64 -","8","1","SU6208","Sun, Xue-Hua","<i>catena</i>-Poly[[triaquanickel(II)]-μ-5-hydroxyisophthalato]","Acta Crystallographica Section E","2005","61","11","m2256","m2258","10.1107/S1600536805023962","","","0.71073","MoKα","","0.0354","0.0266","","","0.0682","0.0728","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207351","7.9421","0.0003","7.9421","","29.028","0.001","90","","90","","90","","1831","0.09","295","2","295","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Validoxylamine hydrochloride dihydrate","(+)-(Z)-(1S,2S,3S,4R,1'S,2'S,3'S,4'R,5'R)-2,3,4-Trihydroxy-5-(hydroxymethyl)- N-[2',3',4'-trihydroxy-5'-(hydroxymethyl)cyclohex-1'-yl]cyclohex-5-en-1-aminium chloride dihydrate","","- C14 H30 Cl N O10 -","- C14 H30 Cl N O10 -","- C56 H120 Cl4 N4 O40 -","4","0.5","SU6225","Chang, Hong-Jie; Feng, Xiao-Long; Zhu, Jia-Rong; Ng, Seik Weng","(+)-(<i>Z</i>)-(1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>,1'<i>S</i>,2'<i>S</i>,3'<i>S</i>,4'<i>R</i>,5'<i>R</i>)-2,3,4-Trihydroxy-5-(hydroxymethyl)-<i>N</i>-[2',3',4'-trihydroxy-5'-(hydroxymethyl)cyclohex-1'-yl]cyclohex-5-en-1-aminium chloride dihydrate","Acta Crystallographica Section E","2005","61","11","o3839","o3841","10.1107/S1600536805033891","","","0.71073","MoKα","","0.0401","0.0379","","","0.092","0.0934","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207352","7.439","0.001","11.215","0.001","16.541","0.001","90","","93.96","0.01","90","","1376.7","0.2","299","2","299","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-Benzyl-8-nitroquinolin-2-amine","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C64 H52 N12 O8 -","4","2","SU6227","da Silva, Luiz Everson; Joussef, Antonio C.; Foro, Sabine; Schmidt, Boris","<i>N</i>-Benzyl-8-nitroquinolin-2-amine","Acta Crystallographica Section E","2005","61","11","o3837","o3838","10.1107/S1600536805033908","","","1.5418","CuKα","","0.053","0.0459","","","0.1132","0.1185","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207353","10.051","0.001","11.329","0.001","11.703","0.001","62.88","0.01","77.54","0.01","82.38","0.01","1157.2","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","4-tert-Butyl-2,6-bis[(imidazolium-1-yl)methyl]phenol tetrachlorozinc(II)","","- C18 H24 Cl4 N4 O Zn -","- C18 H24 Cl4 N4 O Zn -","- C36 H48 Cl8 N8 O2 Zn2 -","2","1","SU6232","Xu, Gang; Cui, Yu-Bo; Huang, Wei; Gou, Shao-Hua","4-<i>tert</i>-Butyl-2,6-bis[(imidazolium-1-yl)methyl]phenol tetrachlorozincate(II)","Acta Crystallographica Section E","2005","61","11","m2443","m2445","10.1107/S1600536805034963","","","0.71073","MoKα","","0.0835","0.0571","","","0.1073","0.1161","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207354","8.2343","0.0014","10.3445","0.0018","12.047","0.002","90","","96.884","0.003","90","","1018.8","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Dibromomethyl)chromen-4-one","","- C10 H6 Br2 O2 -","- C10 H6 Br2 O2 -","- C40 H24 Br8 O8 -","4","1","SU6237","Huang, Wei; Zhao, Pei-Liang; Xie, Chang; Zhou, Zhong-Zhen; Yang, Guang-Fu","2-(Dibromomethyl)-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2005","61","11","o3948","o3949","10.1107/S1600536805035166","","","0.71073","MoKα","","0.0437","0.0348","","","0.1017","0.1057","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207355","29.938","0.0006","8.806","0.0002","19.6782","0.0004","90","","116.252","0.001","90","","4652.75","0.17","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[sesqui(μ~4~-biphenyl-4,4'-dicarboxylato- κ^4^O:O':O'':O''')(diethylformamide-κO)gadolinium]","","- C26 H23 Gd N O7 -","- C26 H23 Gd N O7 -","- C208 H184 Gd8 N8 O56 -","8","1","TK6263","Poulsen, Rasmus D.; Overgaard, Jacob; Chevallier, Marie-Agnes; Clausen, Henrik F.; Iversen, Bo B.","Poly[sesqui(μ~4~-biphenyl-4,4'-dicarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')(diethylformamide-κ<i>O</i>)gadolinium]","Acta Crystallographica Section E","2005","61","11","m2308","m2310","10.1107/S1600536805032162","","","0.71073","MoKα","","0.051","0.028","","","0.054","0.057","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207356","7.385","0.0003","9.7359","0.0003","13.7218","0.0005","69.347","0.002","87.209","0.002","67.945","0.002","851.63","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(C6H3Cl2NO2)4.(C4H8N2)'","3,4-dichloro-1-nitrobenzene‒1,4-dioxane (4/1)","","- C7 H5 Cl2 N O2.5 -","- C7 H5 Cl2 N O2.5 -","- C28 H20 Cl8 N4 O10 -","4","2","TK6265","Sarah A. Barnett; Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.","3,4-Dichloro-1-nitrobenzene‒1,4-dioxane (4/1)","Acta Crystallographica Section E","2005","61","11","o3666","o3667","10.1107/S1600536805030680","","","0.71073","MoKα","","0.05","0.033","","","0.073","0.081","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207357","7.224","0.002","19.712","0.006","12.177","0.005","90","","105.272","0.014","90","","1672.8","1","296","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[4-(Dimethylamino)phenyl]-1-phenylsulfonylbut-3-en-2-one","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","TK6266","Wen Pei; Yongjiang Wang; Li Sun; Xiaobo Xiong","4-[4-(Dimethylamino)phenyl]-1-(phenylsulfonyl)but-3-en-2-one","Acta Crystallographica Section E","2005","61","11","o3883","o3884","10.1107/S1600536805034422","","","0.71075","MoKα","","","0.051","","","","0.104","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207358","11.96","0.002","10.456","0.002","13.039","0.003","90","","105.09","0.03","90","","1574.4","0.6","288","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-2-(trimethylsilyloxy)-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran- 5-one","","- C16 H20 O4 Si -","- C16 H20 O4 Si -","- C64 H80 O16 Si4 -","4","1","TK6268","Da-Quan Peng; Yun Liu; Zhi-Feng Lu; Jian-Hua Xu","2-Methyl-2-(trimethylsilyloxy)-3,4-dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one","Acta Crystallographica Section E","2005","61","11","o3704","o3705","10.1107/S1600536805032186","","","0.71073","MoKα","","0.098","0.053","","","0.139","0.152","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207359","5.3976","0.0006","6.7062","0.0008","12.1098","0.0014","90","","102.807","0.002","90","","427.44","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-fluorouracil‒2,2,2-trifluoroethanol (1/1)","","- C6 H6 F4 N2 O3 -","- C6 H6 F4 N2 O3 -","- C12 H12 F8 N4 O6 -","2","1","TK6270","Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil‒2,2,2-trifluoroethanol (1/1)","Acta Crystallographica Section E","2005","61","11","o3661","o3663","10.1107/S1600536805032198","","","0.71073","MoKα","","0.028","0.028","","","0.073","0.074","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207360","5.0135","0.0006","20.636","0.002","6.966","0.001","90","","99.28","0.01","90","","711.26","0.15","299","2","299","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Nitro-N-(8-quinolyl)benzenesulfonamide","","- C15 H11 N3 O4 S -","- C15 H11 N3 O4 S -","- C30 H22 N6 O8 S2 -","2","1","TK6271","da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","4-Nitro-<i>N</i>-(8-quinolyl)benzenesulfonamide","Acta Crystallographica Section E","2005","61","11","o3778","o3779","10.1107/S1600536805032691","","","1.5418","CuKα","","0.055","0.055","","","0.148","0.15","","","","","","1.14","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207361","8.921","0.001","14.303","0.002","18.888","0.003","78","0.01","77.77","0.01","78.25","0.01","2271.6","0.6","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","2,4,6-Triisopropyl-N-(8-quinolyl)benzenesulfonamide","","- C24 H30 N2 O2 S -","- C24 H30 N2 O2 S -","- C96 H120 N8 O8 S4 -","4","2","TK6272","da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","2,4,6-Triisopropyl-<i>N</i>-(8-quinolyl)benzenesulfonamide","Acta Crystallographica Section E","2005","61","11","o3780","o3781","10.1107/S1600536805032708","","","1.5418","CuKα","","0.149","0.062","","","0.15","0.184","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207362","18.636","0.001","4.9871","0.0007","17.914","0.001","90","","110.628","0.007","90","","1558.2","0.3","299","2","299","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N-(5,7-Dibromo-8-quinolyl)-4-fluorobenzenesulfonamide","","- C15 H9 Br2 F N2 O2 S -","- C15 H9 Br2 F N2 O2 S -","- C60 H36 Br8 F4 N8 O8 S4 -","4","1","TK6273","da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","<i>N</i>-(5,7-Dibromo-8-quinolyl)-4-fluorobenzenesulfonamide","Acta Crystallographica Section E","2005","61","11","o3782","o3783","10.1107/S160053680503271X","","","1.5418","CuKα","","0.08","0.055","","","0.165","0.182","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207363","14.1687","0.0019","13.6246","0.0016","14.024","0.002","90","","106.865","0.011","90","","2590.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(N-methylpyridinium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate(II)","","- C18 H16 N2 S10 Zn -","- C18 H16 N2 S10 Zn -","- C72 H64 N8 S40 Zn4 -","4","1","TK6274","Wang, Yan-Ling; Yu, Wen-Tao; Xu, Dong; Wang, Xin-Qiang; Guo, Wen-Feng; Zhang, Guang-Hui","Bis(<i>N</i>-methylpyridinium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate(II)","Acta Crystallographica Section E","2005","61","11","m2408","m2410","10.1107/S1600536805034434","","","0.71073","MoKα","","0.102","0.053","","","0.117","0.138","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207364","6.8978","0.0014","9.953","0.002","14.556","0.003","96.495","0.004","97.418","0.003","109.863","0.003","918.7","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2,3-Bis(1-methyl-1H-imidazol-2-ylsulfanylmethyl)quinoxaline","","- C18 H18 N6 S2 -","- C18 H18 N6 S2 -","- C36 H36 N12 S4 -","2","1","TK6275","Ning-Ning Pan; Wei Wang; Bing Zhao","2,3-Bis(1-methyl-1<i>H</i>-imidazol-2-ylsulfanylmethyl)quinoxaline","Acta Crystallographica Section E","2005","61","11","o3939","o3940","10.1107/S1600536805033404","","","0.71073","MoKα","","0.062","0.04","","","0.107","0.122","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207365","9.267","0.003","9.824","0.003","20.477","0.006","90","","102.144","0.004","90","","1822.5","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O S Sn -","- C18 H19 N O S Sn -","- C72 H76 N4 O4 S4 Sn4 -","4","1","TK6279","Ji-Kun Li; Ru-Fen Zhang; Chun-Lin Ma","4,5-Diphenyl-2-(trimethylstannylsulfanyl)-1,3-oxazole","Acta Crystallographica Section E","2005","61","11","m2457","m2458","10.1107/S1600536805035002","","","0.71073","MoKα","","0.042","0.032","","","0.086","0.097","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207366","12.885","0.008","7.012","0.004","17.109","0.01","90","","90.204","0.008","90","","1545.8","1.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(3-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","WK6060","Jing, Zuo-Liang; Fan, Zhi; Yu, Ming; Chen, Xin; Diao, Chun-Hua; Deng, Qi-Liang","4-[(3-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","11","o3532","o3533","10.1107/S1600536805030990","","","0.71073","MoKα","","0.066","0.0489","","","0.1206","0.1288","","","","","","1.047","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207367","7.393","0.002","8.983","0.003","12.823","0.004","77.51","0.004","82.756","0.003","79.45","0.003","814.1","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","4-[(4-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one monohydrate","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C36 H38 N6 O6 -","2","1","WK6061","Jing, Zuo-Liang; Fan, Zhi; Yu, Ming; Chen, Xin; Deng, Qi-Liang","4-[(4-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2005","61","11","o3534","o3535","10.1107/S1600536805031004","","","0.71073","MoKα","","0.0447","0.038","","","0.0976","0.1033","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207368","19.4419","0.0003","19.4419","0.0003","6.5498","0.0001","90","","90","","120","","2144.06","0.06","120","2","120","2","","","","","","","","5","P 63/m","-P 6c","176","","8-Methyl-5-oxo-5,6-dihydrodipyrido[1,2-a:3',2'-e]pyrimidin-11-ium chloride trihydrate","","- C12 H16 Cl N3 O4 -","- C12 H16 Cl N3 O4 -","- C72 H96 Cl6 N18 O24 -","6","0.5","WK6062","Howie, R. Alan; de Lima Ferreira, Marcelle de; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M.S.V.; Wardell, James L.","8-Methyl-5-oxo-5,6-dihydrodipyrido[1,2-<i>a</i>:3',2'-<i>e</i>]pyrimidin-11-ium chloride trihydrate 120 K","Acta Crystallographica Section E","2005","61","11","o3579","o3581","10.1107/S1600536805031521","","","0.71073","MoKα","","0.0365","0.0319","","","0.0872","0.0904","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2207369","6.8814","0.0013","11.627","0.002","20.468","0.004","90","","90","","90","","1637.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(4-Methoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","WK6063","Yong-Hong Wen; Mao-Jie Li; Shu-Sheng Zhang; Xue-Mei Li","<i>N</i>-(4-Methoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate","Acta Crystallographica Section E","2005","61","11","o3630","o3631","10.1107/S1600536805031557","","","0.71073","MoKα","","0.0363","0.0324","","","0.081","0.0835","","","","","","1.122","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207370","10.4365","0.0014","9.0713","0.0012","14.1861","0.0018","90","","94.107","0.003","90","","1339.6","0.3","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-Ethyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole","","- C15 H14 N4 -","- C15 H14 N4 -","- C60 H56 N16 -","4","1","WK6064","Chunyi Liu; Zuoxiang Wang; Anyu Zhou; Lutong Yuan; Yan Lan","3-Ethyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole","Acta Crystallographica Section E","2005","61","11","o3925","o3926","10.1107/S1600536805034173","","","0.71073","MoKα","","0.0937","0.0569","","","0.1156","0.1222","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207371","19.2347","0.0016","13.2563","0.0011","16.7559","0.0015","90","","123.909","0.001","90","","3545.8","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[hexaaquatris(μ~3~-3-carboxypyrazole-5-carboxylato)(3-carboxypyrazole- 5-carboxylato-κO)(μ~2~-pyrazole-3,5-dicarboxylato)dicerium]","","- C25 H26 Ce2 N10 O26 -","- C25 H26 Ce2 N10 O26 -","- C100 H104 Ce8 N40 O104 -","4","0.5","WK6065","Xin-Hua Li","Poly[hexaaquatris(μ~3~-3-carboxypyrazole-5-carboxylato)(3-carboxypyrazole-5-carboxylato-κ<i>O</i>)(μ~2~-pyrazole-3,5-dicarboxylato)dicerium(III)]","Acta Crystallographica Section E","2005","61","11","m2329","m2331","10.1107/S1600536805032824","","","0.71073","MoKα","","0.0336","0.029","","","0.0583","0.0602","","","","","","1.052","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207372","13.147","0.005","10.088","0.005","17.549","0.005","90","","90","","90","","2327.5","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(1,10-phenanthroline)dithiocyanatozinc(II)","","- C26 H16 N6 S2 Zn -","- C26 H16 N6 S2 Zn -","- C104 H64 N24 S8 Zn4 -","4","0.5","WK6066","Ying-Ying Liu; Jian-Fang Ma; Jin Yang","Bis(1,10-phenanthroline)dithiocyanatozinc(II)","Acta Crystallographica Section E","2005","61","11","m2367","m2368","10.1107/S1600536805033714","","","0.71069","MoKα","","0.0835","0.038","","","0.0925","0.1004","","","","","","0.92","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207373","8.3","0.002","8.3","0.002","22.469","0.005","90","","90","","120","","1340.5","0.5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","lithium sodium potassium dichromate tris(phosphate)","Li~2.5~Na~0.34~K~0.16~Cr~2~(PO~4~)~3~","","- Cr2 K0.16 Li2.5 Na0.34 O12 P3 -","- Cr2 K0.155 Li2.499 Na0.345 O12 P3 -","- Cr12 K0.93 Li14.994 Na2.07 O72 P18 -","6","0.333333","WM6082","Kouass, Salah; Boughzala, Habib","NASICON-type Li~2.5~K~0.16~Na~0.34~Cr~2~(PO~4~)~3~","Acta Crystallographica Section E","2005","61","11","i231","i233","10.1107/S1600536805022269","","","0.71073","MoKα","","0.0311","0.0247","","","0.0698","0.0716","","","","","","1.127","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207374","14.528","0.003","14.528","0.003","9.685","0.004","90","","90","","120","","1770.3","0.9","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","Tetracesium strontium catena-nonaselenidotristannate(IV)","","- Cs4 Se9 Sn3 Sr -","- Cs4 Se9 Sn3 Sr -","- Cs12 Se27 Sn9 Sr3 -","3","0.333333","WM6093","Tobias van Almsick; William S. Sheldrick","Tetracaesium strontium <i>catena</i>-nonaselenidotristannate(IV)","Acta Crystallographica Section E","2005","61","11","i225","i227","10.1107/S1600536805031090","","","0.71073","MoKα","","0.0367","0.0363","","","0.1012","0.1015","","","","","","1.148","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207375","4.9512","0.0005","4.9512","0.0005","8.7874","0.0013","90","","90","","120","","186.56","0.04","165","0.1","165","0.1","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Trisodium phosphide","","- Na3 P -","- Na3 P -","- Na6 P2 -","2","0.0833333","WM6094","Yongkwan Dong; Francis J. DiSalvo","Reinvestigation of Na~3~P based on single-crystal data","Acta Crystallographica Section E","2005","61","11","i223","i224","10.1107/S1600536805031168","","","0.71073","MoKα","","0.0603","0.0386","","","0.0786","0.084","","","","","","1.133","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207376","12.2646","0.0004","7.3926","0.0004","12.6354","0.0006","90","","111.095","0.003","90","","1068.84","0.09","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dicesium sulfate-selenate tellurate","","- Cs2 H6 O10 S0.57 Se0.43 Te -","- Cs2 O10 S0.566 Se0.434 Te -","- Cs8 O40 S2.264 Se1.736 Te4 -","4","1","WM6095","Abdelhedi, Mohamed; Dammak, Mohamed; Cousson, Alain; Nierlich, Martine; Abdelwaheb, Kolsi","Cs~2~(SO~4~)~0.57~(SeO~4~)~0.43~·Te(OH)~6~, an adduct between dicaesium sulfate selenate and telluric acid","Acta Crystallographica Section E","2005","61","11","i256","i258","10.1107/S1600536805034574","","","0.71073","MoKα","","0.0377","0.0371","","0.0349","0.0349","0.0349","","","","","","0.9374","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207377","4.7282","0.0001","8.932","0.0002","8.4309","0.0002","90","","90","","90","","356.06","0.01","295","","295","","","","","","","","","4","P b n m","-P 2c 2ab","62","Topaz-OD","Dialuminium orthosilicate dihydroxide","","- Al2 D2 O6 Si -","- Al2 D2 O6 Si -","- Al8 D8 O24 Si4 -","4","0.5","WM6096","Chen, Jianrong; Lager, George A.; Kunz, Martin; Hansen, Thomas C.; Ulmer, Peter","A Rietveld refinement using neutron powder diffraction data of a fully deuterated topaz, Al~2~SiO~4~(OD)~2~","Acta Crystallographica, Section E","2005","61","11","i253","i255","10.1107/S1600536805034811","","neutron","1.37404","neutron","","","","","","","","","","1.32","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"2207378","10.4415","0.0008","10.4415","0.0008","8.0464","0.0007","90","","90","","120","","759.73","0.11","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","tetrasamarium(II) oxide hexaiodide","tetrasamarium hexaiodine oxygen","","- I6 O Sm4 -","- I6 O Sm4 -","- I12 O2 Sm8 -","2","0.166667","WM6099","Hammerich, Stefanie; Pantenburg, Ingo; Meyer, Gerd","Tetrasamarium(II) oxide hexaiodide, Sm~4~OI~6~","Acta Crystallographica Section E","2005","61","11","i234","i236","10.1107/S1600536805031934","","","0.71073","MoKα","","0.0447","0.0422","","","0.0977","0.1042","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207379","5.7434","0.0007","12.6002","0.0009","5.7405","0.0007","90","","90","","90","","415.43","0.08","293","2","293","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","calcium chlorite","calcium chlorate(III)","","- Ca Cl2 O4 -","- Ca Cl2 O4 -","- Ca4 Cl8 O16 -","4","0.25","WM6100","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Calcium chlorite, Ca(ClO~2~)~2~, from X-ray powder diffraction data","Acta Crystallographica Section E","2005","61","11","i246","i248","10.1107/S160053680503415X","","","1.54178","CuKα","","","","","","","","","","1.81","","","","","","","has coordinates","208235","2020-10-21","18:00:00",""
"2207380","5.9799","0.0012","12.7519","0.0016","5.9787","0.0012","90","","90","","90","","455.91","0.14","293","2","293","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","strontium chlorite","strontium chlorate(III)","","- Cl2 O4 Sr -","- Cl2 O4 Sr -","- Cl8 O16 Sr4 -","4","0.25","WM6101","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Strontium chlorite, Sr(ClO~2~)~2~, from X-ray powder diffraction data","Acta Crystallographica Section E","2005","61","11","i249","i250","10.1107/S1600536805034161","","","1.54178","CuKα","","","","","","","","","","3.03","","","","","","","has coordinates","208235","2020-10-21","18:00:00",""
"2207381","15.156","0.002","5.4692","0.0008","6.5516","0.0013","90","","102.487","0.014","90","","530.22","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cadmium bis(hypophosphite)","Cadmium bis[dihydrogenphosphate(I)]","","- Cd H4 O4 P2 -","- Cd H4 O4 P2 -","- Cd4 H16 O16 P8 -","4","0.5","WM6102","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.","Cadmium bis[dihydrogenphosphate(I)]","Acta Crystallographica Section E","2005","61","11","i251","i252","10.1107/S1600536805034562","","","0.71073","MoKα","","0.0367","0.0316","","","0.0914","0.1014","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207382","10.409","0.002","19.064","0.004","14.895","0.003","90","","94.39","0.03","90","","2947.1","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexacaesium nonaselenidotetraantimonate(III) hemihydrate","","- Cs6 H O0.5 Sb4 Se9 -","- Cs6 O0.5 Sb4 Se9 -","- Cs24 O2 Sb16 Se36 -","4","0.5","WM6103","Tobias van Almsick; William S. Sheldrick","Hexacaesium nonaselenidotetraantimonate(III) hemihydrate","Acta Crystallographica Section E","2005","61","11","i240","i242","10.1107/S1600536805033799","","","0.71073","MoKα","","0.1108","0.0667","","","0.1258","0.1348","","","","","","1.184","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207383","10.14","0.0008","14.2835","0.0009","10.4195","0.0007","90","","97.48","0.006","90","","1496.26","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-thiocytosinium bromide","4-amino-2-thioxo-2,3-dihydropyrimidin-1-ium bromide","","- C4 H6 Br N3 S -","- C4 H6 Br N3 S -","- C32 H48 Br8 N24 S8 -","8","2","WM6104","Sanković, Krešimir; Prugovečki, Biserka; Matković-Čalogović, Dubravka","2-Thiocytosinium bromide","Acta Crystallographica Section E","2005","61","11","o3846","o3848","10.1107/S1600536805033659","","","0.71073","MoKα","","0.0481","0.0318","","","0.0744","0.0821","","","","","","1.106","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207384","13.6103","0.0005","12.5787","0.0006","21.6102","0.0008","90","","94.479","0.003","90","","3688.4","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(1SR,2SR,3SR,10SR,12RS,13RS,14RS,17SR)-13-Hydroxy-11- oxapentacyclo[8.7.0.0^2,14^.0^4,9^.0^12,17^]heptadeca-4,6,8-trien-3-yl 4-chlorobenzoate","","- C23 H21 Cl O4 -","- C23 H21 Cl O4 -","- C184 H168 Cl8 O32 -","8","1","WN6373","Ustabaş, Reşat; Çoruh, Ufuk; Menzek, Abdullah; Altundaş, Aliye; Yavuz, Metin; Hökelek, Tuncer","(1<i>SR</i>,2<i>SR</i>,3<i>SR</i>,10<i>SR</i>,12<i>RS</i>,13<i>RS</i>,14<i>RS</i>,17<i>SR</i>)-13-Hydroxy-11-oxapentacyclo[8.7.0.0^2,14^.0^4,9^.0^12,17^]heptadeca-4,6,8-trien-3-yl 4-chlorobenzoate","Acta Crystallographica Section E","2005","61","11","o3859","o3861","10.1107/S1600536805030825","","","0.71073","MoKα","","0.0499","0.0439","","","0.1462","0.1569","","","","","","0.714","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207385","9.375","0.0001","14.4845","0.0002","26.439","0.0003","90","","90","","90","","3590.21","0.07","295","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4,6-Dimethoxypyrimidin-2-ylsulfanyl)-N-phenylbenzamide","","- C19 H17 N3 O3 S -","- C19 H17 N3 O3 S -","- C152 H136 N24 O24 S8 -","8","1","WN6376","Jun Wu; Mei-Feng Chen; Li-Hong Wang; Pei-Zhi Zhang","2-(4,6-Dimethoxypyrimidin-2-ylsulfanyl)-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2005","61","11","o3728","o3729","10.1107/S1600536805032940","","","0.7107","MoKα","","","0.033","","","","0.072","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207386","13.1962","0.0019","15.049","0.002","18.124","0.004","90","","90","","90","","3599.2","1.1","294","2","294","2","","","","","","","","5","I b c a","-I 2b 2c","73","","2,2'-[(p-Phenylenedimethylene)dithio]-bis- (1-methyl-1H-imidazol)","","- C16 H20 N4 O S2 -","- C16 H20 N4 O S2 -","- C128 H160 N32 O8 S16 -","8","0.5","WN6379","Ya-Jie Xie","1,1'-Dimethyl-2,2'-[<i>p</i>-phenylenebis(methylenethio)]di-1<i>H</i>-imidazole monohydrate","Acta Crystallographica Section E","2005","61","11","o3538","o3539","10.1107/S1600536805030412","","","0.71073","MoKα","","0.061","0.0359","","","0.0891","0.1096","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207387","8.8417","0.0018","12.081","0.002","14.262","0.003","90","","90","","90","","1523.4","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxypyridinium-1-acetate monohydrate","","- C7 H9 N O4 -","- C7 H9 N O4 -","- C56 H72 N8 O32 -","8","1","WN6386","Zhu-Yan Zhang; Shan Gao; Li-Hua Huo; Jing-Gui Zhao","3-Hydroxypyridinium-1-acetate monohydrate","Acta Crystallographica Section E","2005","61","11","o3554","o3555","10.1107/S1600536805031284","","","0.71073","MoKα","","0.0434","0.0358","","","0.0953","0.0997","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207388","8.9187","0.0012","8.3101","0.0011","25.367","0.003","90","","108.718","0.004","90","","1780.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1H-Benzotriazol-1-yl)-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone cyclohexane hemisolvate","","- C19 H18 N6 O -","- C19 H18 N6 O -","- C76 H72 N24 O4 -","4","1","WN6387","Jun Wan; Chun-Li Li; Xue-Mei Li; Liang-Zhong Xu; Shu-Sheng Zhang","2-(1<i>H</i>-Benzotriazol-1-yl)-1-phenyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone cyclohexane hemisolvate","Acta Crystallographica Section E","2005","61","11","o3903","o3904","10.1107/S1600536805034343","","","0.71073","MoKα","","0.0592","0.0496","","","0.138","0.1491","","","","","","0.94","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207389","3.7756","0.0002","9.4584","0.0013","24.295","0.004","90","","90.875","0.008","90","","867.5","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Nitrocinnamic acid","","- C9 H7 N O4 -","- C9 H7 N O4 -","- C36 H28 N4 O16 -","4","1","WN6388","Udaya lakshmi, K.; Thamotharan, S.; Srinivasan, M.; Ramamurthi, K.; Varghese, B.","3-Nitrocinnamic acid","Acta Crystallographica Section E","2005","61","11","o3636","o3638","10.1107/S1600536805031879","","","1.5418","CuKα","","0.0693","0.0462","","","0.1303","0.146","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207390","11.327","0.002","9.227","0.0018","16.397","0.003","90","","97.95","0.03","90","","1697.2","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-dimethyl-2-phenyl-3H,10aH-benzo[de]cyclobut[I] isoquinoline-3,5-dione","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","WN6392","Yong-Miao Shen; Zhi-Feng Lu; Yun Liu; Jian-Hua Xu","1,4-Dimethyl-2-phenyl-3<i>H</i>,10a<i>H</i>-4-azacyclobuta[<i>c</i>]phenylene-3,5-dione","Acta Crystallographica Section E","2005","61","11","o3950","o3952","10.1107/S1600536805035014","","","0.71073","MoKα","","0.1235","0.0587","","","0.163","0.1934","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207391","7.528","0.003","25.027","0.01","9.938","0.004","90","","97.293","0.008","90","","1857.2","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(4-Benzyloxy-3-methoxybenzylidene)benzohydrazide","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","WN6394","He, Yong-Zhi; Liu, Dong-Zhi","(<i>E</i>)-<i>N</i>'-(4-Benzyloxy-3-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2005","61","11","o3855","o3856","10.1107/S1600536805034021","","","0.71073","MoKα","","0.1055","0.0474","","","0.1021","0.1303","","","","","","0.995","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207392","5.9174","0.0001","7.718","0.0001","15.9606","0.0004","81.239","0.002","84.617","0.002","88.716","0.001","717.22","0.02","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","3-(4-Methylphenyl)-1-(2-naphthyl)prop-2-en-1-one","","- C20 H16 O -","- C20 H16 O -","- C40 H32 O2 -","2","1","WN6395","S. Sathiya Moorthi; K. Chinnakali; S. Nanjundan; R. Balaji; Hoong-Kun Fun","3-(4-Methylphenyl)-1-(2-naphthyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","11","o3885","o3887","10.1107/S1600536805034239","","","0.71073","MoKα","","0.1346","0.0622","","","0.1695","0.2123","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207393","7.9088","0.0012","10.7469","0.0016","12.3067","0.0019","86.421","0.003","89.184","0.003","83.715","0.003","1037.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-[(4-formylphenyl)hydrazono]naphthalen-2(1H)-one‒2-naphthol (1/1)","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C54 H40 N4 O6 -","2","1","WW6391","Liu, Xin-Gang; Feng, Ya-Qing; Liang, Zu-Pei; Wang, Wei","1-[(4-Formylphenyl)hydrazono]naphthalen-2(1<i>H</i>)-one‒2-naphthol (1/1)","Acta Crystallographica Section E","2005","61","11","o3857","o3858","10.1107/S1600536805033957","","","0.71073","MoKα","","0.1011","0.0551","","","","0.1912","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207394","16.088","0.003","8.306","0.0017","17.358","0.004","90","","95.79","0.03","90","","2307.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(2-{1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2- (dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate","","- C24 H25 Cl N4 O4 -","- C24 H25 Cl N4 O4 -","- C96 H100 Cl4 N16 O16 -","4","1","WW6426","Wang, Hai-Bo; Pu, Yue-Qing; Chen, Jia-Hui; Wang, Jin-Tang","Methyl 2-(2-{1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate","Acta Crystallographica Section E","2005","61","11","o3879","o3880","10.1107/S1600536805034197","","","0.71073","MoKα","","0.1373","0.0601","","","0.1598","0.1962","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207395","21.5659","0.0019","9.0711","0.0008","22.646","0.002","90","","109.746","0.002","90","","4169.7","0.6","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","8-Butylamino-1,2,5-trimethyl-7-p-tolyl-3-thia-4,7,9- triazacyclopenta[a]naphthalen-6(7H)-one","","- C23 H26 N4 O S -","- C23 H26 N4 O S -","- C184 H208 N32 O8 S8 -","8","1","WW6427","Cui, Ze-Ping; Liu, Jian-Chao; He, Hong-Wu","8-Butylamino-1,2,5-trimethyl-7-<i>p</i>-tolyl-3-thia-4,7,9-triazacyclopenta[<i>a</i>]naphthalen-6(7<i>H</i>)-one","Acta Crystallographica Section E","2005","61","11","o3642","o3644","10.1107/S1600536805031193","","","0.71073","MoKα","","0.0718","0.0555","","","0.1481","0.1589","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207396","8.0786","0.0016","30.476","0.006","8.4775","0.0017","90","","117.817","0.003","90","","1846","0.6","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-{2-[2-(4-Formyl-2-methoxyphenoxy)ethoxy]ethoxy}-3-methoxybenzaldehyde","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","WW6428","Qi, Ai-Di; Zhu, Qing-Hua; He, Yong-Zhi; Ren, Xiao-Liang","4-{2-[2-(4-Formyl-2-methoxyphenoxy)ethoxy]ethoxy}-3-methoxybenzaldehyde","Acta Crystallographica Section E","2005","61","11","o3784","o3785","10.1107/S1600536805033283","","","0.71073","MoKα","","0.1066","0.0439","","","0.0934","0.1151","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207397","17.12","0.003","10.271","0.002","13.042","0.003","90","","91.1","0.03","90","","2292.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(2,6-Dimethylphenyl)aminocarbonylmethyl]4-{[3-(3-methoxyphenyl)- 1,2,4-oxadiazol-5-yl]methyl}piperazine","","- C24 H29 N5 O3 -","- C24 H29 N5 O3 -","- C96 H116 N20 O12 -","4","1","WW6429","Wang, Hai-Bo; Pu, Yue-Qing; Chen, Jia-Hui; Wang, Jin-Tang","1-[(2,6-Dimethylphenyl)aminocarbonylmethyl]-4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine","Acta Crystallographica Section E","2005","61","11","o3750","o3751","10.1107/S1600536805032915","","","0.71073","MoKα","","0.157","0.0574","","","0.1365","0.181","","","","","","0.949","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207398","26.753","0.003","5.7309","0.0006","20.185","0.002","90","","110.868","0.002","90","","2891.7","0.5","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9-(4-Ethynylphenyl)-9H-carbazole","","- C20 H13 N -","- C20 H13 N -","- C160 H104 N8 -","8","1","WW6431","Lin, Hai-Yao; Zhang, Xiao-Bo; Lu, Ping","9-(4-Ethynylphenyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2005","61","11","o3597","o3598","10.1107/S1600536805031181","","","0.71073","MoKα","","0.0604","0.0397","","","0.0919","0.0996","","","","","","0.901","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207399","13.5526","0.0006","9.5725","0.0005","14.3309","0.0007","90","","114.072","0.002","90","","1697.49","0.15","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Diazido[N,N-bis(2-pyridylmethyl-κN)glycine-κ^2^N,O]copper(II) monohydrate","","- C14 H17 Cu N9 O3 -","- C14 H14 Cu N9 O3 -","- C56 H56 Cu4 N36 O12 -","4","1","WW6434","Cui, Yun-Cheng; Che, Guang-Bo; Liu, Chun-Bo; Li, Chuan-Bi","Diazido[<i>N</i>,<i>N</i>-bis(2-pyridylmethyl-κ<i>N</i>)glycine-κ^2^<i>N</i>,<i>O</i>]copper(II) monohydrate","Acta Crystallographica Section E","2005","61","11","m2355","m2356","10.1107/S1600536805033350","","","0.71073","MoKα","","0.0276","0.0275","","","0.083","0.0831","","","","","","1.126","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207400","17.3249","0.0008","9.4165","0.0004","18.2202","0.001","90","","104.753","0.0006","90","","2874.4","0.2","295","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dimethyl 2-(4-fluorophenyl)-3-(methylamino)furan-4,5-dicarboxylate","","- C15 H14 F N O5 -","- C15 H14 F N O5 -","- C120 H112 F8 N8 O40 -","8","1","WW6437","Ma, Cheng; Yang, Ye-Wei","Dimethyl 2-(4-fluorophenyl)-3-(methylamino)furan-4,5-dicarboxylate","Acta Crystallographica Section E","2005","61","11","o3798","o3799","10.1107/S1600536805033295","","","0.71069","MoKα","","","0.0489","","","","0.1471","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207401","11.5991","0.0016","17.114","0.002","9.2425","0.0013","90","","96.883","0.002","90","","1821.5","0.4","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-4-(3-Ethoxy-4-hydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol- 3(2H)-one","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","WW6439","Han, Jian-Rong; Zhen, Xiao-Li","(<i>E</i>)-4-(3-Ethoxy-4-hydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","11","o3815","o3816","10.1107/S160053680503360X","","","0.71073","MoKα","","0.0342","0.0306","","","0.081","0.0851","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207402","13.1701","0.0008","10.4625","0.0006","10.6961","0.0007","90","","90","","90","","1473.84","0.16","295","2","295","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Bis[1-hydroxy-4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-4,5-dihydro- 1H-imidazole]nitratocobalt(II) nitrate","","- C20 H30 Co N8 O8 S2 -","- C20 H30 Co N8 O8 S2 -","- C40 H60 Co2 N16 O16 S4 -","2","0.5","XU6046","Li-Ya Wang; Jiu-Li Chang; Kai Jiang; Lu-Fang Ma; Yu-Fang Wang","Bis[1-hydroxy-4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-4,5-dihydro-1<i>H</i>-imidazole]nitratocobalt(II) nitrate","Acta Crystallographica Section E","2005","61","11","m2230","m2231","10.1107/S1600536805031508","","","0.71073","MoKα","","0.036","0.028","","","0.073","0.078","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207403","29.869","0.009","7.268","0.002","26.307","0.008","90","","113.126","0.005","90","","5252","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(9,20-dichloro-12,17-diphenyl-2,4,13,16-tetraazatricyclo[16.4.0.0^6,11^]docosa- 6,8,10,12,16,18,20,22-octaene-3,4-dionato)nickel(II) methanol hemisolvate","(9,20-dichloro-12,17-diphenyl-2,4,13,16-tetraazatricyclo[16.4.0.0^6,11^]docosa- 6,8,10,12,16,18,20,22-octaene-3,4-dionato)nickel(II) methanol hemisolvate","","- C30.5 H22 Cl2 N4 Ni O2.5 -","- C30.5 H20 Cl2 N4 Ni O2.5 -","- C244 H160 Cl16 N32 Ni8 O20 -","8","1","XU6050","Yu, Ming; Yang, Guang-Ming","A new nickel(II) complex with a [14]N4 macrocyclic ligand","Acta Crystallographica Section E","2005","61","11","m2436","m2437","10.1107/S1600536805034458","","","0.71073","MoKα","","0.112","0.054","","","0.105","0.137","","","","","","1.101","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207404","16.985","0.006","6.775","0.002","10.141","0.003","90","","111.879","0.004","90","","1082.9","0.6","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Tetraaquabis(isothiocyanato-κN)zinc(II) bis(2-methylpyrazine 1,4-dioxide)","","- C12 H20 N6 O8 S2 Zn -","- C12 H20 N6 O8 S2 Zn -","- C24 H40 N12 O16 S4 Zn2 -","2","0.25","XU6052","Xu, Wen; Shi, Jing-Min; Zhang, Xia","Tetraaquabis(thiocyanato-κ<i>N</i>)zinc(II) bis(2-methylpyrazine 1,4-dioxide)","Acta Crystallographica Section E","2005","61","11","m2194","m2195","10.1107/S1600536805031338","","","0.71073","MoKα","","0.039","0.037","","","0.098","0.099","","","","","","1.123","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207405","11.76","0.009","13.06","0.01","11.243","0.009","90","","114.92","0.01","90","","1566","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaqua(1,10-phenanthroline-κ^2^N,N')cadmium(II)]-μ- fumarato-κ^2^O:O']","","- C16 H14 Cd N2 O6 -","- C16 H14 Cd N2 O6 -","- C64 H56 Cd4 N8 O24 -","4","0.5","XU6053","Sun, Ya-Guang; Gao, En-Jun; Liu, Xia; Wang, Cheng-Shen","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-fumarato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","11","m2190","m2191","10.1107/S1600536805031016","","","0.71073","MoKα","","0.025","0.02","","","0.047","0.048","","","","","","1.04","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207406","13.3872","0.0014","23.187","0.002","23.13","0.002","90","","91.89","0.002","90","","7175.9","1.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris[4-(3-methyl-4-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)isobutanolato- κ^2^O,O']bis(triphenylphosphine oxide-κO)europium(III)","","- C78 H75 Eu N6 O8 P2 -","- C78 H75 Eu N6 O8 P2 -","- C312 H300 Eu4 N24 O32 P8 -","4","1","XU6061","Qian-Yong Cao; Li-Qun Huang; Zhong-Wei Wang; Chang-Jian Yang; Xi-Cun Gao","Tris[4-(3-methyl-4-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)isobutanolato-κ^2^<i>O</i>,<i>O</i>']bis(triphenylphosphine oxide-κ<i>O</i>)europium(III)","Acta Crystallographica Section E","2005","61","11","m2414","m2415","10.1107/S160053680503446X","","","0.71073","MoKα","","0.127","0.048","","","0.085","0.11","","","","","","0.983","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207407","8.157","0.002","12.355","0.003","13.932","0.003","96.7","0.03","100.37","0.03","101.49","0.03","1336.4","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","μ-3-(Carboxylatomethoxy)phenylsulfanylacetato-κO:O'-bis[aquabis(1,10- phenanthroline-κ^2^N,N')cadmium(II)] dinitrate","","- C58 H44 Cd2 N10 O13 S -","- C58 H44 Cd2 N10 O13 S -","- C58 H44 Cd2 N10 O13 S -","1","0.5","XU6065","Huo, Li-Hua; Gao, Shan; Ng, Seik Weng","μ-3-(Carboxylatomethoxy)phenylsulfanylacetato-κ<i>O</i>:<i>O</i>'-bis[aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)] dinitrate","Acta Crystallographica Section E","2005","61","11","m2357","m2358","10.1107/S1600536805033271","","","0.71073","MoKα","","0.052","0.044","","","0.132","0.14","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207408","16.324","0.003","14.13","0.003","9.614","0.002","90","","104.05","0.03","90","","2151.2","0.8","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaqua(2-chloronicotinato-κ^2^O,O')erbium(III)]-di-μ-2- chloronicotinato-κ^4^O:O']","","- C18 H13 Cl3 Er N3 O8 -","- C18 H13 Cl3 Er N3 O8 -","- C72 H52 Cl12 Er4 N12 O32 -","4","0.5","XU6066","Lu, Zhen-Zhong; Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[diaqua(2-chloronicotinato-κ^2^<i>O</i>,<i>O</i>')erbium(III)]-di-μ-2-chloronicotinato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","11","m2343","m2345","10.1107/S160053680503312X","","","0.71073","MoKα","","0.042","0.039","","","0.088","0.089","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207409","14.291","0.003","17.569","0.004","15.791","0.003","90","","107.95","0.03","90","","3771.8","1.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-phenylacetato-κ^2^O:O')bis[(N,N-dimethylformamide-κO)copper(II)]","","- C38 H42 Cu2 N2 O10 -","- C38 H42 Cu2 N2 O10 -","- C152 H168 Cu8 N8 O40 -","4","1","XU6068","Kong, Li-Li; Huo, Li-Hua; Gao, Shan; Zhao, Jing-Gui","Tetrakis(μ-phenylacetato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2005","61","11","m2289","m2290","10.1107/S1600536805032150","","","0.71073","MoKα","","0.064","0.043","","","0.103","0.114","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207410","6.8077","0.0014","10.725","0.002","27.313","0.006","90","","96.76","0.03","90","","1980.3","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[diaqua(1,10-phenanthroline-κ^2^N,N')nickel(II)]- μ-4-carboxylatophenoxyacetato-κ^2^O:O'] monohydrate]","","- C21 H20 N2 Ni O8 -","- C21 H20 N2 Ni O8 -","- C84 H80 N8 Ni4 O32 -","4","1","XU6070","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-4-carboxylatophenoxyacetato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2005","61","11","m2440","m2442","10.1107/S160053680503480X","","","0.71073","MoKα","","0.044","0.033","","","0.079","0.082","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207411","10.4818","0.0017","17.071","0.003","13.46","0.002","90","","92.78","0.003","90","","2405.6","0.7","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N-Benzyl-4-(4,4-diphenylbuta-1,3-dienyl)-N-ethylaniline","","- C31 H29 N -","- C31 H29 N -","- C124 H116 N4 -","4","1","YA6264","Wu, An-Shu; Li, Xiang-Gao; Li, Nan; Wang, Shi-Rong","<i>N</i>-Benzyl-4-(4,4-diphenylbuta-1,3-dienyl)-<i>N</i>-ethylaniline","Acta Crystallographica Section E","2005","61","11","o3691","o3692","10.1107/S1600536805032344","","","0.71073","MoKα","","0.098","0.045","","","","0.128","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207412","15.097","0.008","10.989","0.006","14.291","0.011","90","","90","","90","","2371","3","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","Diazidobis(1,10-phenanthroline)cobalt(II) perchlorate","","- C24 H16 Cl Co N10 O4 -","- C24 H16 Cl Co N10 O4 -","- C96 H64 Cl4 Co4 N40 O16 -","4","0.5","AC6190","Xue-Yan Song; Xu-Da Wang; Yun-He Xu; Li-Cun Li","Diazidobis(1,10-phenanthroline)cobalt(III) perchlorate","Acta Crystallographica Section E","2005","61","12","m2649","m2650","10.1107/S1600536805033544","","","0.71073","MoKα","","0.0627","0.0468","","","0.1115","0.1188","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207413","15.9996","0.0007","15.3187","0.0006","16.7417","0.0007","90","","90","","90","","4103.3","0.3","233.5","0.2","233.5","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[Aqua[bis(2-pyridylmethyl)amino-6-caproato]zinc(II) perchlorate]","","- C18 H24 Cl N3 O7 Zn -","- C18 H24 Cl N3 O7 Zn -","- C144 H192 Cl8 N24 O56 Zn8 -","8","1","AC6211","Choi, Ki-Young; Ryu, Haiil; Ko, Jaejung; Kang, Sang Ook; Han, Won-Sik; Suh, Il-Hwan","<i>catena</i>-Poly[[[aquazinc(II)]-μ-6-[bis(2-pyridylmethyl)amino]caproato] perchlorate]","Acta Crystallographica Section E","2005","61","12","m2474","m2476","10.1107/S1600536805035026","","","0.71073","MoKα","","0.093","0.0412","","","0.0944","0.1269","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207414","4.7746","0.0008","8.6976","0.0016","21.557","0.004","90","","96.041","0.003","90","","890.2","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Ethoxy-4-[2-(4-formyl-2-ethoxyphenoxy)ethoxy]benzaldehyde","","- C20 H22 O6 -","- C20 H22 O6 -","- C40 H44 O12 -","2","0.5","AC6212","Han, Jian-Rong; Zhen, Xiao-Li","3-Ethoxy-4-[2-(2-ethoxy-4-formylphenoxy)ethoxy]benzaldehyde","Acta Crystallographica Section E","2005","61","12","o4073","o4074","10.1107/S1600536805036366","","","0.71073","MoKα","","0.0569","0.0418","","","0.108","0.1206","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207415","6.2297","0.0004","12.2538","0.0008","19.3613","0.0013","90","","90","","90","","1477.99","0.17","93.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 I N O2 S -","- C13 H18 I N O2 S -","- C52 H72 I4 N4 O8 S4 -","4","1","AC6213","Kakuda, Hiroko; Shiro, Motoo","(2<i>S</i>)-2-[(1<i>R</i>)-1-Iodoethyl]-1-(4-methylphenylsulfonyl)pyrrolidine","Acta Crystallographica Section E","2005","61","12","o3964","o3965","10.1107/S1600536805035038","","","1.54187","CuKα","","","0.0461","","","","0.081","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207416","7.1062","0.0003","8.5441","0.0005","9.8766","0.0006","86.124","0.003","83.804","0.003","77.29","0.003","580.96","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-Chloro-4-hydroxy-4'-methylbenzophenone","","- C14 H11 Cl O2 -","- C14 H11 Cl O2 -","- C28 H22 Cl2 O4 -","2","1","AC6218","Harrison, William T. A.; Anilkumar, H. G.; Yathirajan, H. S.; Sadashivamurthy, B.; Basaravaju, Y. B.","3-Chloro-4-hydroxy-4'-methylbenzophenone","Acta Crystallographica Section E","2005","61","12","o4146","o4148","10.1107/S1600536805036780","","","0.71073","MoKα","","0.066","0.0414","","","0.1024","0.1149","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207417","7.9797","0.0006","13.5449","0.001","15.3793","0.0009","90","","91.816","0.006","90","","1661.4","0.2","295","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","E)-9,10-Dihydro-9-methyl-9-nitro-10-(trinitromethyl)anthracene","","- C16 H12 N4 O8 -","- C16 H12 N4 O8 -","- C64 H48 N16 O32 -","4","1","AC6219","Arslan, Mustafa; Baker, Ronald J.; Masnovi, John; Asker, Erol","(<i>E</i>)-9,10-Dihydro-9-methyl-9-nitro-10-(trinitromethyl)anthracene","Acta Crystallographica Section E","2005","61","12","o4133","o4135","10.1107/S1600536805036974","","","0.71073","MoKα","","","0.0397","","","","0.1334","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207418","7.092","0.005","8.231","0.005","30.49","0.02","90","","91.725","0.012","90","","1779","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-{[(1E)-(3,5-dibromo-2-hydroxyphenyl)methylene]amino} -1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one","","- C18 H15 Br2 N3 O2 -","- C18 H15 Br2 N3 O2 -","- C72 H60 Br8 N12 O8 -","4","1","AC6220","Ling Huang; Ding-Ben Chen","4-{[(1<i>E</i>)-(3,5-Dibromo-2-hydroxyphenyl)methylene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3<i>H</i>-pyrazol-3-one","Acta Crystallographica Section E","2005","61","12","o4169","o4170","10.1107/S1600536805037165","","","0.71073","MoKα","","0.0421","0.0317","","","0.074","0.0781","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207419","4.408","0.0015","8.877","0.003","10.757","0.003","72.2","0.03","87.67","0.03","88.53","0.03","400.4","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","Benzimidazole-2-carboxylic acid monohydrate","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C16 H16 N4 O6 -","2","1","AC6222","Sławomir Krawczyk; Maria Gdaniec; Franciszek Sa̧czewski","1<i>H</i>-Benzimidazole-2-carboxylic acid monohydrate","Acta Crystallographica Section E","2005","61","12","o4185","o4187","10.1107/S1600536805037505","","","0.71073","MoKα","","0.1366","0.0532","","","0.0751","0.0963","","","","","","0.915","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207420","12.032","0.003","15.808","0.004","10.673","0.003","90","","103.66","0.03","90","","1972.6","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4,5,6-tetrachloro-1,3-dicyanobenzene-pyrene (1/1)","","- C24 H10 Cl4 N2 -","- C24 H10 Cl4 N2 -","- C96 H40 Cl16 N8 -","4","0.5","AC6223","Britton, Doyle","A 1:1 complex of 2,4,5,6-tetrachloro-1,3-dicyanobenzene with pyrene","Acta Crystallographica Section E","2005","61","12","o4188","o4189","10.1107/S1600536805037499","","","0.71073","MoKα","","0.053","0.04","","","0.107","0.115","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207421","22.247","0.005","31.175","0.006","4.8562","0.001","90","","90","","90","","3368","1.2","294","2","294","2","","","","","","","","3","F d d 2","F 2 -2d","43","","3,3'-Dihydroxy-4,4'-(propane-1,3-diyldioxy)dibenzaldehyde","","- C19 H20 O6 -","- C19 H20 O6 -","- C152 H160 O48 -","8","0.5","AT6046","Fan, Zhi; Diao, Chun-Hua; Guo, Min-Jie; Yu, Ming; Chen, Xin","3,3'-Dihydroxy-4,4'-(propane-1,3-diyldioxy)dibenzaldehyde","Acta Crystallographica Section E","2005","61","12","o4004","o4005","10.1107/S1600536805034665","","","0.71073","MoKα","","0.0439","0.0306","","","0.0661","0.0738","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207422","8.445","0.006","9.076","0.004","9.755","0.004","98.051","0.002","91.905","0.002","97.891","0.002","732.3","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Benzimidazolium hydrogen nitroterephthalate","","- C15 H11 N3 O6 -","- C15 H11 N3 O6 -","- C30 H22 N6 O12 -","2","1","AT6047","Tian-Tian Pan; Jia-Geng Liu; Duan-Jun Xu","Benzimidazolium hydrogen nitroterephthalate","Acta Crystallographica Section E","2005","61","12","o3996","o3997","10.1107/S1600536805035749","","","0.71073","MoKα","","0.059","0.048","","","0.14","0.146","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207423","9.1614","0.0018","12.101","0.002","10.053","0.002","90","","100.1","0.03","90","","1097.2","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dihydroxonium 1,5-naphthalenedisulfonate N,N-dimethylformamide disolvate","","- C16 H26 N2 O10 S2 -","- C16 H26 N2 O10 S2 -","- C32 H52 N4 O20 S4 -","2","0.5","AT6050","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Dihydroxonium 1,5-naphthalenedisulfonate <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2005","61","12","o4175","o4176","10.1107/S1600536805037347","","","0.71073","MoKα","","0.0432","0.038","","","0.1074","0.1107","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207424","9.681","0.003","5.8632","0.0017","22.164","0.006","90","","90.826","0.005","90","","1257.9","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","n-Butyl 3,5-dinitrobenzoate","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C44 H48 N8 O24 -","4","1","AT6051","Li, Fen-Fang; Xiao Feng-Ping; Jin, Long-Fei; Wu, Yong-Fei","<i>n</i>-Butyl 3,5-dinitrobenzoate","Acta Crystallographica Section E","2005","61","12","o4173","o4174","10.1107/S1600536805037359","","","0.71073","MoKα","","0.0766","0.0572","","","0.1622","0.1769","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207425","6.1629","0.0016","15.935","0.004","16.323","0.004","117.824","0.004","90.749","0.005","99.054","0.005","1393.1","0.6","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","N,N-Dibenzyl-4-(4,4-diphenylbuta-1,3-dienyl)-3-methylaniline","","- C37 H33 N -","- C37 H33 N -","- C74 H66 N2 -","2","1","AT6052","Wu, An-Shu; Li, Xiang-Gao; Xu, De-Shun; Wang, Shi-Rong","<i>N</i>,<i>N</i>-Dibenzyl-4-(4,4-diphenylbuta-1,3-dienyl)-3-methylaniline","Acta Crystallographica Section E","2005","61","12","o4167","o4168","10.1107/S1600536805037360","","","0.71073","MoKα","","0.118","0.054","","","","0.131","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207426","8.339","0.0017","8.681","0.0017","13.268","0.003","71.08","0.03","77.21","0.03","85.31","0.03","886","0.4","288","2","288","2","","","","","","","","6","P -1","-P 1","2","","3a,8c-Dichloro-8b-phenyl-3a,3b,8b,8c-tetrahydro-2-methyl-1H- [1]benzothieno[2',3':3,4]cyclobuta[1,2-c]pyrrole-1,3(2H)-dione","","- C19 H13 Cl2 N O2 S -","- C19 H13 Cl2 N O2 S -","- C38 H26 Cl4 N2 O4 S2 -","2","1","AT6053","Hui-Ying An; Zhi-Feng Lu; Yong-Miao Shen; Shan Lu; Jian-Hua Xu","3a,8c-Dichloro-8b-phenyl-3a,3b,8b,8c-tetrahydro-2-methyl-1<i>H</i>-[1]benzothieno[2',3':3,4]cyclobuta[1,2-<i>c</i>]pyrrole-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","12","o4331","o4332","10.1107/S1600536805038687","","","0.71073","MoKα","","0.0672","0.0498","","","0.1392","0.1598","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207427","12.5131","0.0006","13.2636","0.0006","16.5594","0.0007","90","","90","","90","","2748.3","0.2","296","","296","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(E)-5-[(3-Bromophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde","","- C14 H11 Br N2 O3 -","- C14 H11 Br N2 O3 -","- C112 H88 Br8 N16 O24 -","8","1","AT6054","Şahin, Onur; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-5-[(3-Bromophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde","Acta Crystallographica Section E","2005","61","12","o4276","o4278","10.1107/S1600536805038365","","","0.71073","MoKα","","0.0618","0.0374","","","0.0811","0.0908","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207428","10.7956","0.0008","13.7521","0.0013","8.3078","0.0006","90","","92.274","0.006","90","","1232.42","0.17","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","(E)-5-[(2-Fluorophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde","","- C14 H11 F N2 O3 -","- C14 H11 F N2 O3 -","- C56 H44 F4 N8 O12 -","4","1","AT6055","Şahin, Onur; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-5-[(2-Fluorophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde","Acta Crystallographica Section E","2005","61","12","o4279","o4281","10.1107/S1600536805038377","","","0.71073","MoKα","","0.0389","0.0303","","","0.0815","0.0828","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207429","6.3262","0.0019","9.36","0.003","22.629","0.007","90","","96.924","0.005","90","","1330.2","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Piperidin-1-ylmethyl-2-naphthol","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","AT6056","Qing-Wei Liu; Ming-Jie Zhang; Xiang-Qian Wang; Peng-Gao Ma","1-(Piperidin-1-ylmethyl)-2-naphthol","Acta Crystallographica Section E","2005","61","12","o4285","o4286","10.1107/S1600536805038389","","","0.71073","MoKα","","0.1449","0.0514","","","0.1199","0.1594","","","","","","0.938","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207430","7.988","0.002","6.6635","0.0016","14.26","0.004","90","","96.354","0.004","90","","754.4","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[4-(4-Formylphenoxy)butoxy]benzaldehyde","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","0.5","AT6057","Han, Jian-Rong; Zhen, Xiao-Li","4-[4-(4-Formylphenoxy)butoxy]benzaldehyde","Acta Crystallographica Section E","2005","61","12","o4358","o4359","10.1107/S160053680503905X","","","0.71073","MoKα","","0.0681","0.0392","","","0.1","0.1182","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207431","5.0465","0.0008","20.264","0.003","14.956","0.002","90","","92.938","0.003","90","","1527.4","0.4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-N'-(3-Ethoxy-4-methoxybenzylidene)benzohydrazide","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","AT6068","Zhen, Xiao-Li; Han, Jian-Rong","(<i>E</i>)-<i>N</i>'-(3-Ethoxy-4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2005","61","12","o4360","o4361","10.1107/S1600536805039061","","","0.71073","MoKα","","0.0812","0.0429","","","0.0956","0.1154","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207432","6.3222","0.0008","9.2626","0.0011","9.4421","0.0012","88.316","0.002","73.963","0.002","76.626","0.002","516.65","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[aquahemi(μ~6~-benzene-1,2,4,5-tetracarboxylato)hemi(μ~6~- 2,5-dicarboxybenzene-1,4-dicarboxylato)samarium]","","- C20 H10 O18 Sm2 -","- C20 H10 O18 Sm2 -","- C20 H10 O18 Sm2 -","1","0.5","BD6013","Yu-Mei Dai; Xiao-Qin Wang; Jin-Feng Huang","Poly[diaqua(μ~6~-benzene-1,2,4,5-tetracarboxylato)(μ~6~-2,5-dicarboxybenzene-1,4-dicarboxylato)disamarium]","Acta Crystallographica Section E","2005","61","12","m2548","m2549","10.1107/S1600536805036081","","","0.71073","MoKα","","","0.0322","","","0.0789","0.081","","","","","","1.133","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2207433","8.4996","0.0006","20.1067","0.0014","11.774","0.0008","90","","103.544","0.001","90","","1956.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-sulfamoylbenzoato)bis[chloro(di-2-pyridylamine)copper(II)] dihydrate","","- C17 H17 Cl Cu N4 O5 S -","- C17 H17 Cl Cu N4 O5 S -","- C68 H68 Cl4 Cu4 N16 O20 S4 -","4","1","BD6014","Xin-Hua Li","Bis(μ-4-sulfamoylbenzoato)bis[chloro(di-2-pyridylamine)copper(II)] dihydrate","Acta Crystallographica, Section E","2005","61","12","m2623","m2625","10.1107/S1600536805036858","","","0.71073","MoKα","","0.0402","0.0355","","","0.0883","0.0911","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2207434","25.392","0.002","13.1747","0.0011","19.5144","0.0016","90","","96.011","0.002","90","","6492.3","0.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diethylenetriammonium oxonium naphthalene-1,6-disulfonate 3.5-hydrate","","- C24 H38 N3 O16.5 S4 -","- C24 H38 N3 O16.5 S4 -","- C192 H304 N24 O132 S32 -","8","1","BD6015","Zhi-Min Jin; Li Li; Li-Zhao Chen; Ling-Su Li; Mao-Lin Hu","Diethylenetriammonium oxonium naphthalene-1,6-disulfonate 3.5-hydrate","Acta Crystallographica Section E","2005","61","12","o4325","o4327","10.1107/S1600536805038766","","","0.71073","MoKα","","0.0639","0.0545","","","0.1402","0.147","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207435","22.088","0.004","7.556","0.0015","11.152","0.002","90","","113.56","0.03","90","","1706.1","0.7","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis(thiocyanato-κN)cobalt(II)]-di-μ-2-aminobenzonitrile- κ^2^N,N']","","- C16 H12 Co N6 S2 -","- C16 H12 Co N6 S2 -","- C64 H48 Co4 N24 S8 -","4","0.5","BD6016","Moitsheki, Lesego J.; Bourne, Susan A.; Nassimbeni, Luigi R.","<i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)cobalt(II)]-di-μ-2-aminobenzonitrile-κ^2^<i>N</i>,<i>N</i>']","Acta Crystallographica Section E","2005","61","12","m2580","m2581","10.1107/S1600536805036846","","","0.71073","MoKα","","0.0372","0.0273","","","0.0643","0.0679","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207436","7.652","0.005","20.37","0.005","18.173","0.005","90","","101.546","0.005","90","","2775","2","100","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Carbonyl(8-hydroxyquinolinato)[tris(2-methylphenyl) phosphite]rhodium(I)","","- C31 H27 N O5 P Rh -","- C31 H27 N O5 P Rh -","- C124 H108 N4 O20 P4 Rh4 -","4","1","BD6017","Janse van Rensburg, J. Marthinus; Roodt, Andreas; Muller, Alfred; Meijboom, Reinout","Carbonyl(8-hydroxyquinolinato)[tris(2-methylphenyl) phosphite]rhodium(I)","Acta Crystallographica Section E","2005","61","12","m2743","m2745","10.1107/S1600536805038912","","","0.71069","MoKα","","","0.0418","","","","0.0942","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207437","11.987","0.002","14.069","0.003","22.709","0.003","90","","104.485","0.003","90","","3708","1.1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","1-Acetonitrile-3-chloro-1,2-(μ-3,5-dinitrobenzoato-κ^2^O,O')- 1-(triphenylphosphine-κP)-closo-1-ruthenaundecaborane","","- C27 H29 B10 Cl N3 O6 P Ru -","- C27 H29 B10 Cl N3 O6 P Ru -","- C108 H116 B40 Cl4 N12 O24 P4 Ru4 -","4","1","BH6038","Guo, Qing-Liang; Dou, Jian-Min; Wu, Li-Bin; Li, Da-Cheng; Wang, Daqi","1-Acetonitrile-3-chloro-1,2-(μ-3,5-dinitrobenzoato-κ^2^<i>O</i>,<i>O</i>')-1-(triphenylphosphine-κ<i>P</i>)-<i>closo</i>-1-ruthenaundecaborane","Acta Crystallographica Section E","2005","61","12","m2613","m2615","10.1107/S1600536805036639","","","0.71073","MoKα","","0.0902","0.0424","","","0.0768","0.0847","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207438","3.8486","0.0005","5.818","0.001","25.437","0.004","90","","91.408","0.012","90","","569.39","0.15","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-5-(4-Chlorophenyldiazenyl)salicylaldehyde","","- C13 H9 Cl N2 O2 -","- C13 H9 Cl N2 O2 -","- C26 H18 Cl2 N4 O4 -","2","1","BH6039","Şahin, Onur; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-5-(4-Chlorophenyldiazenyl)salicylaldehyde","Acta Crystallographica Section E","2005","61","12","o4149","o4150","10.1107/S1600536805036810","","","0.71073","MoKα","","0.0684","0.0549","","","0.1378","0.1487","","","","","","0.976","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207439","14.2617","0.0012","13.731","0.002","6.776","0.003","90","","96.958","0.014","90","","1317.2","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-5-(4-Ethylphenyldiazenyl)salicylaldehyde","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","BH6040","Şahin, Onur; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-5-(4-Ethylphenyldiazenyl)salicylaldehyde","Acta Crystallographica Section E","2005","61","12","o4154","o4155","10.1107/S1600536805036834","","","0.71073","MoKα","","0.1702","0.049","","","0.108","0.1442","","","","","","0.836","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207440","3.8914","0.0006","5.8043","0.0005","25.745","0.004","90","","92.101","0.012","90","","581.11","0.14","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-5-(4-Bromophenyldiazenyl)salicylaldehyde","","- C13 H9 Br N2 O2 -","- C13 H9 Br N2 O2 -","- C26 H18 Br2 N4 O4 -","2","1","BH6041","Şahin, Onur; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-5-(4-Bromophenyldiazenyl)salicylaldehyde","Acta Crystallographica Section E","2005","61","12","o4151","o4153","10.1107/S1600536805036822","","","0.71073","MoKα","","0.0366","0.0332","","","0.078","0.0799","","","","","","1.069","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207441","9.9557","0.0019","9.8964","0.0019","15.715","0.003","90","","101.938","0.002","90","","1514.8","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(4-nitropyridine N-oxide-κO)bis(perchlorato)copper(II)","","- C20 H16 Cl2 Cu N8 O20 -","- C20 H16 Cl2 Cu N8 O20 -","- C40 H32 Cl4 Cu2 N16 O40 -","2","0.5","BH6043","Shi, Jing-Min; Chen, Ju-Na; Wu, Chang-Ju; Liu, Lian-Dong","Tetrakis(4-nitropyridine <i>N</i>-oxide-κ<i>O</i>)bis(perchlorato)copper(II)","Acta Crystallographica Section E","2005","61","12","m2621","m2622","10.1107/S1600536805036809","","","0.71073","MoKα","","0.0479","0.0429","","","0.1248","0.1301","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207442","7.0888","0.0006","14.4398","0.0013","24.085","0.002","90","","96.112","0.002","90","","2451.3","0.4","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-4-(4-Chlorophenyl)-2-[(2-chlorophenyl)(3-pyridylmethylamino)methyl]-5,5- dimethyl-1,3,2-dioxaphosphinane 2-oxide","","- C24 H25 Cl2 N2 O3 P -","- C24 H25 Cl2 N2 O3 P -","- C96 H100 Cl8 N8 O12 P4 -","4","1","BH6044","Sun, Feng-Mei; Tian, Man-Man; Luo, Zai-Gang; Shi, De-Qing","<i>trans</i>-4-(4-Chlorophenyl)-2-[(2-chlorophenyl)(3-pyridylmethylamino)methyl]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide","Acta Crystallographica Section E","2005","61","12","o4162","o4164","10.1107/S1600536805037049","","","0.71073","MoKα","","0.0932","0.0572","","","0.1216","0.1377","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207443","23.75","0.02","6.869","0.005","21.65","0.02","90","","93.46","0.03","90","","3526","5","123","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Adeninato-N^9^)[N-(2-aminoethyl)salicylideneiminato]palladium(II) 3.5-hydrate","{[(2-aminoethyl)iminomethyl]phenolato-κ^3^N,N',O}(9H-purine-6-aminato- κN^9^)palladium(II) 3.5-hydrate","","- C28 H44 N14 O9 Pd2 -","- C14 H22 N7 O4.5 Pd -","- C112 H176 N56 O36 Pd8 -","8","1","BH6045","Odoko, Mamiko; Okabe, Nobuo","(Adeninato-<i>N</i>^9^)[<i>N</i>-(2-aminoethyl)salicylideneiminato]palladium(II) 3.5-hydrate","Acta Crystallographica Section E","2005","61","12","m2670","m2673","10.1107/S1600536805037864","","","0.7107","MoKα","","","0.026","","","","0.07","","","","","","1.072","","","","has coordinates","209077","2020-10-21","18:00:00",""
"2207444","15.785","0.005","10.357","0.002","13.502","0.001","90","","105.96","0.02","90","","2122.3","0.8","287","2","287","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","(E,E)-4-(4-Nitrophenylethenyl)-1-(2,4,6-trimethoxyphenylethenyl)benzene","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C100 H92 N4 O20 -","4","1","BH6051","Vande Velde, Christophe M. L.; De Borger, Roeland; Blockhuys, Frank","(<i>E</i>,<i>E</i>)-1-[2-(4-Nitrophenyl)ethenyl]-4-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzene","Acta Crystallographica Section E","2005","61","12","o4289","o4291","10.1107/S1600536805038419","","","0.71073","MoKα","","0.0977","0.0395","","","0.0992","0.1214","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207445","9.766","0.002","9.692","0.002","9.811","0.002","90","","102.53","0.02","90","","906.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[sodium [aqua-μ~3~-hydroxo-di-μ~4~-phosphato-diferrate(III)] hydrate]","","- Fe2 H5 Na O11 P2 -","- Fe2 H5 Na O11 P2 -","- Fe8 H20 Na4 O44 P8 -","4","1","BR6221","Gao, Shan; Ng, Seik Weng","Sodium diiron(III) diphosphate hydroxide dihydrate","Acta Crystallographica, Section E","2005","61","12","i268","i269","10.1107/S1600536805036226","","","0.71073","MoKα","","0.024","0.022","","","0.071","0.072","","","","","","1.09","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207446","9.837","0.0002","13.347","0.0003","15.023","0.0003","90","","95.809","0.0013","90","","1962.31","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis-{2-[(N,N-dimethylaminomethyl)phenyl]}tin(IV)dibromide","Dibromobis[2-(N,N-dimethylaminomethyl)phenyl]tin(IV)","","- C18 H24 Br2 N2 Sn -","- C18 H24 Br2 N2 Sn -","- C72 H96 Br8 N8 Sn4 -","4","1","BR6222","Padělková, Zdeňka; Císařová, Ivana; Rǔžička, Aleš","Dibromobis[2-(<i>N</i>,<i>N</i>-dimethylaminomethyl)phenyl]tin(IV)","Acta Crystallographica Section E","2005","61","12","m2691","m2693","10.1107/S1600536805037827","","","0.71073","MoKα","","0.0589","0.048","","","0.1187","0.1243","","","","","","1.099","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207447","17.805","0.004","6.023","0.0012","18.504","0.004","90","","100.47","0.03","90","","1951.3","0.7","200","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","supermesitylenetellurenyl iodide","2,4,6-tri-tert-butylbenzenetellurenyl iodide","","- C18 H29 I Te -","- C18 H29 I Te -","- C72 H116 I4 Te4 -","4","1","BT6772","Klapötke, Thomas M.; Krumm, Burkhard; Schwab, Ingo","2,4,6-Tri-<i>tert</i>-butylbenzenetellurenyl iodide","Acta Crystallographica Section E","2005","61","12","o4045","o4046","10.1107/S1600536805035841","","","0.71073","MoKα","","0.0371","0.026","","","0.0596","0.0621","","","","","","0.925","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207448","16.076","0.003","17.248","0.003","9.995","0.002","90","","101.18","0.03","90","","2718.8","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tpsi tellurenyl iodide","Tris(dimethylphenylsilyl)methanetellurenyl iodide","","- C25 H33 I Si3 Te -","- C25 H33 I Si3 Te -","- C100 H132 I4 Si12 Te4 -","4","1","BT6773","Klapötke, Thomas M.; Krumm, Burkhard; Schwab, Ingo","Tris(dimethylphenylsilyl)methanetellurenyl iodide","Acta Crystallographica Section E","2005","61","12","o4047","o4048","10.1107/S1600536805035853","","","0.71073","MoKα","","0.0461","0.0309","","","0.0674","0.0729","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207449","7.5866","0.0002","8.5684","0.0002","8.8257","0.0002","90","","102.77","0.0015","90","","559.52","0.02","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","diaquabis(L-serinato)copper(II) decihydrate","","- C6 H16.2 Cu N2 O8.1 -","- C6 H16.2 Cu N2 O8.1 -","- C12 H32.4 Cu2 N4 O16.2 -","2","0.5","BT6774","Otavio Versiane; Judith Felcman; Jussara Lopes de Miranda; R. Alan Howie; Janet M. S. Skakle","Diaquabis(<small>L</small>-serinato)copper(II) 0.1-hydrate at 120K","Acta Crystallographica Section E","2005","61","12","m2517","m2519","10.1107/S1600536805035221","","","0.71073","MoKα","","0.0193","0.0192","","","0.0524","0.0525","","","","","","1.097","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2207450","4.8373","0.0005","9.8906","0.0011","16.093","0.0017","81.414","0.002","84.968","0.002","86.248","0.002","757.32","0.14","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","1,4-Dihydro-6-methyl-5-(N-methylcarbamoyl)-4-(4-nitrophenyl)pyrimidine- 2(3H)-thione monohydrate","","- C13 H16 N4 O4 S -","- C13 H16 N4 O4 S -","- C26 H32 N8 O8 S2 -","2","1","BT6775","Balasubramanian Sridhar; Krishnan Ravikumar","1,4-Dihydro-6-methyl-5-(<i>N</i>-methylcarbamoyl)-4-(4-nitrophenyl)pyrimidine-2(3<i>H</i>)-thione monohydrate","Acta Crystallographica Section E","2005","61","12","o4130","o4132","10.1107/S1600536805037098","","","0.71073","MoKα","","0.0459","0.043","","","0.1255","0.1291","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207451","5.787","0.001","8.776","0.002","12.617","0.003","90","","91.25","0.03","90","","640.6","0.2","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-diphenylbutane","","- C16 H18 -","- C16 H18 -","- C32 H36 -","2","0.5","BT6776","Michel Fleck; Walter Martin","1,4-Diphenylbutane","Acta Crystallographica Section E","2005","61","12","o4099","o4100","10.1107/S1600536805036706","","","0.71073","MoKα","","0.0602","0.0476","","","0.1334","0.1432","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207452","13.007","0.003","7.1317","0.0014","14.743","0.003","90","","102.14","0.03","90","","1337","0.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(4-Methoxyphenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C14 H15 N O5 -","- C14 H15 N O5 -","- C56 H60 N4 O20 -","4","1","BT6778","Silva, Luiz Everson da; Joussef, Antonio Carlos; Nunes, Ricardo José; Andrighetti-Fröhner, Carla Regina; Bortoluzzi, Adailton José","5-[(4-Methoxyphenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2005","61","12","o4121","o4122","10.1107/S1600536805036871","","","0.71073","MoKα","","0.0813","0.0408","","","0.098","0.111","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207453","6.96","0.005","9.298","0.005","10.424","0.005","95.57","0.005","101.043","0.005","99.508","0.005","647.2","0.7","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","5-[(2-Bromophenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C13 H12 Br N O4 -","- C13 H12 Br N O4 -","- C26 H24 Br2 N2 O8 -","2","1","BT6779","Silva, Luiz Everson da; Joussef, Antonio Carlos; Nunes, Ricardo José; Andrighetti-Fröhner, Carla Regina; Bortoluzzi, Adailton José","5-[(2-Bromophenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2005","61","12","o4252","o4253","10.1107/S1600536805036883","","","0.71073","MoKα","","0.0651","0.0302","","","0.0657","0.0733","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207454","9.858","0.002","10.027","0.002","9.787","0.002","90","","115.92","0.03","90","","870.1","0.4","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","not relevant","Caesium dimethyldiselenidoarsenate(V)","","- C2 H6 As Cs Se2 -","- C2 H6 As Cs Se2 -","- C8 H24 As4 Cs4 Se8 -","4","0.5","BT6780","Tobias van Almsick; William S. Sheldrick","Caesium dimethyldiselenidoarsenate(V)","Acta Crystallographica Section E","2005","61","12","m2661","m2663","10.1107/S1600536805037669","","","0.71073","MoKα","","0.0679","0.0469","","","0.1131","0.1249","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207455","6.4427","0.0003","8.1772","0.0005","11.3794","0.0006","69.954","0.005","77.247","0.004","83.521","0.004","548.84","0.05","291","0.3","291","0.3","","","","","","","","4","P -1","-P 1","2","","(1S,2S,7aR)-1,2,7a-trihydroxy-2-methylperhydro-1-phosphaindene 1-oxide hydrate","","- C9 H19 O5 P -","- C9 H19 O5 P -","- C18 H38 O10 P2 -","2","1","BT6781","Kruszynski, Rafal; Trzesowska, Agata; Majewski, Piotr; Bodalski, Ryszard","Racemic (1<i>SR</i>,2<i>SR</i>,7a<i>RS</i>)-1,2,7a-trihydroxy-2-methylperhydro-1-phosphaindene 1-oxide monohydrate","Acta Crystallographica Section E","2005","61","12","o4123","o4125","10.1107/S1600536805036664","","","0.71073","MoKα","","0.0304","0.0282","","","0.0779","0.0793","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207456","10.105","0.001","11.095","0.002","12.677","0.002","84.697","0.002","79.043","0.002","73.712","0.002","1338.2","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly-{catena-[μ-1,2-bis(diphenylphosphinyl)ethane-κ^2^P:P'](trifluoroacetato- κO)silver(I)}","","- C28 H24 Ag F3 O2 P2 -","- C28 H24 Ag F3 O2 P2 -","- C56 H48 Ag2 F6 O4 P4 -","2","1","BT6782","Bao, Feng; Lü, Xing-Qiang; Ng, Seik Weng","<i>catena</i>-Poly[[(trifluoroacetato-κ<i>O</i>)silver(I)]-μ-1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>']","Acta Crystallographica Section E","2005","61","12","m2637","m2638","10.1107/S1600536805037189","","","0.71073","MoKα","","0.062","0.046","","","0.132","0.147","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207457","6.986","0.002","24.629","0.007","10.333","0.003","90","","92.399","0.005","90","","1776.3","0.9","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","N-[4-(2,4-Difluorophenyl]-5-(1H-1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2- fluorobenzamide","","- C18 H10 F3 N5 O S -","- C18 H10 F3 N5 O S -","- C72 H40 F12 N20 O4 S4 -","4","1","BT6783","Du, Ding; Lu, Yan-Chang; Dai, Hong; Liu, Jian-Bing; Fang, Jian-Xin","<i>N</i>-[4-(2,4-Difluorophenyl)-5-(1<i>H</i>-1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide","Acta Crystallographica Section E","2005","61","12","o4241","o4242","10.1107/S1600536805037955","","","0.71073","MoKα","","0.0597","0.0333","","","0.0672","0.0771","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207458","9.677","0.002","5.291","0.001","12.818","0.003","90","","106.45","0.03","90","","629.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-(-)-3-Chloro-1-(4-morpholino-5-nitro-1H-imidazol-1-yl)propan-2-ol","","- C10 H15 Cl N4 O4 -","- C10 H15 Cl N4 O4 -","- C20 H30 Cl2 N8 O8 -","2","1","BT6787","Gzella, Andrzej; Żwawiak, Justyna; Zaprutko, Lucjusz","(S)-(-)-3-Chloro-1-(4-morpholino-5-nitro-1H-imidazol-1-yl)propan-2-ol","Acta Crystallographica, Section E","2005","61","12","o4232","o4231","10.1107/S1600536805037931","","","1.54178","CuKα","","0.0569","0.0441","","","0.116","0.1231","","","","","","1.093","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207459","14.174","0.003","8.0458","0.0016","6.2037","0.0012","90","","90","","90","","707.5","0.2","292","2","292","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Trimethylarsonium iodide","","- C3 H10 As I -","- C3 H10 As I -","- C12 H40 As4 I4 -","4","0.5","BT6788","Tobias van Almsick","Trimethylarsonium iodide","Acta Crystallographica Section E","2005","61","12","o4229","o4230","10.1107/S160053680503792X","","","0.71073","MoKα","","0.0372","0.0292","","","0.0751","0.078","","","","","","1.156","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207460","6.6438","0.0003","6.6438","0.0003","5.4206","0.0006","90","","90","","90","","239.27","0.03","157","0.1","157","0.1","","","","","","","","2","I 4/m c m","-I 4 2c","140","","manganese distannite","","- Mn Sn2 -","- Mn Sn2 -","- Mn4 Sn8 -","4","0.125","BT6789","Yongkwan Dong; Francis J. DiSalvo","Reinvestigation of MnSn~2~","Acta Crystallographica Section E","2005","61","12","i282","i284","10.1107/S1600536805038092","","","0.71073","MoKα","","0.0171","0.0162","","","0.0302","0.0304","","","","","","1.219","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207461","20.651","0.004","4.1381","0.0008","7.2842","0.0015","90","","90","","90","","622.5","0.2","291","2","291","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium triplatinum pentaaluminium","cerium triplatinum pentaaluminium","","- Al5 Ce Pt3 -","- Al5 Ce Pt3 -","- Al20 Ce4 Pt12 -","4","0.5","BT6790","Tursina, Anna I.; Bukhan'ko, Natalia G.; Gribanov, Alexandr V.; Shchelkunov, Viktor A.; Nelyubina, Yuliya V.","A new ternary aluminide, CePt~3~Al~5~","Acta Crystallographica Section E","2005","61","12","i285","i286","10.1107/S1600536805038122","","","0.71073","MoKα","","0.0485","0.0335","","","0.0786","0.0842","","","","","","0.994","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207462","13.1122","0.0001","17.62","0.0001","11.618","0.0001","90","","94.9554","0.0004","90","","2674.15","0.03","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Dichlorobis(tris{4-[(dimethylamino)methyl]phenyl}phosphine)platinum(II)","","- C54 H72 Cl2 N6 P2 Pt -","- C54 H72 Cl2 N6 P2 Pt -","- C108 H144 Cl4 N12 P4 Pt2 -","2","0.5","BT6791","Lutz, Martin; Spek, Anthony L.; Kreiter, Robert; Klein Gebbink, Robertus J. M.; Koten, Gerard van","<i>trans</i>-Dichlorobis(tris{4-[(dimethylamino)methyl]phenyl}phosphine)platinum(II)","Acta Crystallographica Section E","2005","61","12","m2728","m2729","10.1107/S1600536805038882","","","0.71073","MoKα","","0.0292","0.0203","","","0.0469","0.05","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207463","10.4483","0.0012","10.2152","0.0012","11.6877","0.0013","90","","94.506","0.002","90","","1243.6","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,1S)-1-tert-Butyldiphenylsiloxy-3-hydroxy-3-isopropenyl-1,2,3,4- tetrahydronaphthalene","","- C29 H34 O2 Si -","- C29 H34 O2 Si -","- C58 H68 O4 Si2 -","2","1","BT6798","Fan, Eric; Lowary, Todd L.; Ferguson, Michael J.","(1<i>S</i>,3<i>S</i>)-1-<i>tert</i>-Butyldiphenylsiloxy-3-hydroxy-3-isopropenyl-1,2,3,4-tetrahydronaphthalene","Acta Crystallographica Section E","2005","61","12","o4295","o4297","10.1107/S1600536805037736","","","0.71073","MoKα","","0.0458","0.0382","","","0.0915","0.0951","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207464","13.2867","0.0009","11.9185","0.0008","16.2352","0.001","90","","109.503","0.001","90","","2423.5","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","trans-Bispyridine palladium methyl chloride","trans-Chloromethyldipyridinepalladium(II)","","- C11 H13 Cl N2 Pd -","- C11 H13 Cl N2 Pd -","- C88 H104 Cl8 N16 Pd8 -","8","1","BV6036","Gareth R. Owen; Mairi F. Haddow","<i>trans</i>-Chloromethyldipyridinepalladium(II)","Acta Crystallographica Section E","2005","61","12","m2651","m2652","10.1107/S1600536805037268","","","0.71073","MoKα","","0.0214","0.0189","","","0.0507","0.0515","","","","","","1.286","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207465","12.4689","0.001","13.0731","0.0011","13.3104","0.0011","106.408","0.002","101.908","0.001","114.895","0.001","1751.1","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","cis-Diaquabis(1,10-phenanthroline)manganese(II) 4-sulfonatobenzoate 6.5-hydrate","","- C31 H37 Mn N4 O13.5 S -","- C31 H32.5 Mn N4 O13.5 S -","- C62 H65 Mn2 N8 O27 S2 -","2","1","BV6037","Zhang, Li-Ping; Zhu, Long-Guan; Cai, Guo-Qiang","<i>cis</i>-Diaquabis(1,10-phenanthroline)manganese(II) 4-sulfonatobenzoate 6.5-hydrate","Acta Crystallographica Section E","2005","61","12","m2634","m2636","10.1107/S1600536805037001","","","0.71073","MoKα","","0.057","0.05","","","0.14","0.145","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2207466","9.5324","0.0009","13.6579","0.0012","14.4179","0.0013","109.4","0.001","103.369","0.001","90.738","0.001","1714.3","0.3","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","Hexaaquacadmium(II) tetraaquabis(hexamethylenetetramine)cadmium(II)] tetrakis(4-aminonaphthalene-1-sulfonate) hexahydrate","","- C52 H88 Cd2 N12 O28 S4 -","- C52 H88 Cd2 N12 O28 S4 -","- C52 H88 Cd2 N12 O28 S4 -","1","0.5","BV6040","Hongbin Zhou; Mingtian Li; Yu Ding; Shaomin Shi","Hexaaquacadmium(II) tetraaquabis(hexamethylenetetramine)cadmium(II) tetrakis(4-aminonaphthalene-1-sulfonate) hexahydrate","Acta Crystallographica Section E","2005","61","12","m2749","m2751","10.1107/S1600536805038821","","","0.71073","MoKα","","0.0527","0.0383","","","0.0819","0.0874","","","","","","0.963","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207467","26.732","0.0014","9.7504","0.0005","21.9268","0.0012","90","","125.989","0.001","90","","4624.3","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,5-Bis(2,2-diphenylethenyl)thiophene","","- C32 H24 S -","- C32 H24 S -","- C256 H192 S8 -","8","1","CF2001","Zeller, Matthias; Hunter, Allen D.; Hoefnagels, Roel; Geise, Herman; Blockhuys, Frank","2,5-Bis(2,2-diphenylethenyl)thiophene","Acta Crystallographica Section E","2005","61","12","o4183","o4184","10.1107/S1600536805037517","","","0.71073","MoKα","","0.0443","0.0387","","","0.1015","0.1056","","","","","","1.058","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207468","10.1554","0.0009","16.5088","0.0015","11.7903","0.0011","90","","97.154","0.002","90","","1961.3","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-[(Z)-Benzylidene]-2,3-diphenyl-2-azabicyclo[2.2.2]octan-5-one","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","CF2002","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","6-[(<i>Z</i>)-Benzylidene]-2,3-diphenyl-2-azabicyclo[2.2.2]octan-5-one","Acta Crystallographica Section E","2005","61","12","o4198","o4199","10.1107/S1600536805037530","","","0.71073","MoKα","","0.0878","0.0683","","","0.1363","0.1445","","","","","","1.177","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207469","9.297","0.003","15.673","0.005","24.329","0.009","90","","90","","90","","3545","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,5-diiodophenyl acridine-9-carboxylate","","- C20 H11 I2 N O2 -","- C20 H11 I2 N O2 -","- C160 H88 I16 N8 O16 -","8","1","CF2003","Artur Sikorski; Karol Krzymiński; Agata Białońska; Tadeusz Lis; Jerzy Błażejowski","2,6-Diiodophenyl acridine-9-carboxylate","Acta Crystallographica Section E","2005","61","12","o4355","o4357","10.1107/S1600536805038729","","","0.71073","MoKα","","0.0694","0.0381","","","0.0879","0.0955","","","","","","1.02","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207470","10.436","0.003","10.542","0.003","11.756","0.004","78.135","0.004","73.553","0.004","67.874","0.004","1141.9","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-κ^4^O:O'-bis[bis(2,2'-bipyridine-κ^2^N,N')manganese(II)] bis(perchlorate)","","- C44 H38 Cl2 Mn2 N8 O12 -","- C44 H38 Cl2 Mn2 N8 O12 -","- C44 H38 Cl2 Mn2 N8 O12 -","1","0.5","CF6458","Xue-Li Niu; Jian-Min Dou; Chang-Wen Hu; Da-Cheng Li; Da-Qi Wang","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate)","Acta Crystallographica Section E","2005","61","12","m2538","m2540","10.1107/S1600536805034367","","","0.71073","MoKα","","0.0895","0.0521","","","0.1201","0.1432","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207471","9.8043","0.001","15.1538","0.0016","18.8497","0.0019","104.648","0.002","102.068","0.002","101.456","0.002","2554.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichloro-1κ<i>Cl</i>,3κ<i>Cl</i>-bis[μ-methylenebis(diphenylphosphine)]- 1:2κ^2^<i>P</i>:<i>P</i>';2:3κ^2^<i>P</i>:<i>P</i>'-trigold(I) perchlorate","","- C50 H44 Au3 Cl3 O4 P4 -","- C50 H44 Au3 Cl3 O4 P4 -","- C100 H88 Au6 Cl6 O8 P8 -","2","1","CF6461","Zhang, Tian-Le; Qin, Yu; Meng, Xiang-Gao","Dichloro-1κ<i>Cl</i>,3κ<i>Cl</i>-bis[μ-methylenebis(diphenylphosphine)]-1:2κ^2^<i>P</i>:<i>P</i>';2:3κ^2^<i>P</i>:<i>P</i>'-trigold(I) perchlorate","Acta Crystallographica Section E","2005","61","12","m2588","m2589","10.1107/S1600536805036500","","","0.71073","MoKα","","0.0754","0.0541","","","0.1568","0.1763","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207472","18.656","0.002","16.674","0.003","18.863","0.003","90","","90","","90","","5867.7","1.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1-Diaqua-2,3,4,5,6-pentaisopropoxy-1-nickeladodecaborane","","- C15 H45 B11 Ni O7 -","- C15 H45 B11 Ni O7 -","- C120 H360 B88 Ni8 O56 -","8","1","CF6470","Li-Bin Wu; Jian-Min Dou; Qing-Liang Guo; Da-Cheng Li; Da-Qi Wang","1,1-Diaqua-2,3,4,5,6-pentaisopropoxy-1-nickeladodecaborane","Acta Crystallographica Section E","2005","61","12","m2585","m2587","10.1107/S1600536805036470","","","0.71073","MoKα","","0.1422","0.0513","","","0.1144","0.1685","","","","","","1.077","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207473","17.962","0.004","6.7649","0.0014","14.892","0.003","90","","95.22","0.03","90","","1802","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[tetraaquabarium(II)-di-μ-1H-imidazole-4,5-dicarboxylato] dihydrate]","","- C10 H18 Ba N4 O14 -","- C10 H18 Ba N4 O14 -","- C40 H72 Ba4 N16 O56 -","4","0.5","CF6471","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","A two-dimensional brick-wall layer barium(II) coordination polymer: poly[[tetraaquabarium(II)-di-μ-1<i>H</i>-imidazole-4,5-dicarboxylato] dihydrate]","Acta Crystallographica Section E","2005","61","12","m2488","m2490","10.1107/S1600536805035464","","","0.71073","MoKα","","0.0176","0.0161","","","0.0369","0.0374","","","","","","1.096","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207474","8.8057","0.0018","11.211","0.002","12.097","0.003","70.148","0.003","84.255","0.004","74.874","0.004","1084.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","10-Amino-9-(4-chlorophenyl)-3,3,6,6-tetramethyl-3,4,5,6,9,10- hexahydroacridine-1,8(2H,7H)-dione","","- C23 H27 Cl N2 O2 -","- C23 H27 Cl N2 O2 -","- C46 H54 Cl2 N4 O4 -","2","1","CF6472","Shujiang Tu; Jinpeng Zhang; Xiaotong Zhu; Jianing Xu; Qian Wang","10-Amino-9-(4-chlorophenyl)-3,3,6,6-tetramethyl-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","12","o4082","o4084","10.1107/S1600536805036482","","","0.71073","MoKα","","0.1926","0.0779","","","0.1346","0.1701","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207475","7.72","0.001","16.2","0.002","18.058","0.002","90","","90","","90","","2258.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5,5'-Dipropyl-1,1'-bis(2-nitrophenyl)-3,3'-bipyrazole","","- C24 H24 N6 O4 -","- C24 H24 N6 O4 -","- C96 H96 N24 O16 -","4","1","CF6473","Bouabdallah, Ibrahim; Ramdani, Abdelkrim; Zidane, Ismail; Eddike, Driss; Tillard, Monique; Belin, Claude","1,1'-Bis(2-nitrophenyl)-5,5'-dipropyl-3,3'-bipyrazole","Acta Crystallographica Section E","2005","61","12","o4243","o4245","10.1107/S1600536805037785","","","0.71073","MoKα","","0.1289","0.0759","","","0.1085","0.1259","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207476","21.923","0.004","14.532","0.003","14.82","0.003","90","","95.351","0.014","90","","4700.9","1.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris(1,10-phenanthroline)zinc(II) nitrate bis(glutaric acid) dihydrate","","- C46 H44 N8 O16 Zn -","- C46 H44 N8 O16 Zn -","- C184 H176 N32 O64 Zn4 -","4","0.5","CF6474","Aghabozorg, Hossein; Bahar Nakhjavan; Fatemeh Zabihi; Ramezanipour, Farshid; Aghabozorg, Hamid Reza","Infinite hydrogen-bonded chains in tris(1,10-phenanthroline)zinc(II) nitrate bis(glutaric acid) dihydrate","Acta Crystallographica Section E","2005","61","12","m2664","m2666","10.1107/S1600536805037633","","","0.71073","MoKα","","0.0619","0.0363","","","0.0634","0.0655","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207477","8.4786","0.0007","8.4786","0.0007","59.562","0.009","90","","90","","120","","3708.1","0.7","295","2","","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","1,2-Bis[2-ethyl-5-(2,2-dicyanovinyl)-3-thienyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C25 H14 F6 N4 S2 -","- C25 H14 F6 N4 S2 -","- C150 H84 F36 N24 S12 -","6","0.5","CF6475","Pu, Shou-Zhi; Yang, Tian-She; Wang, Ru-Ji; Xu, Jing-Kun","1,2-Bis[5-(2,2-dicyanovinyl)-2-ethyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, a new photochromic diarylethene compound","Acta Crystallographica Section E","2005","61","12","o4077","o4079","10.1107/S1600536805036512","","","0.71073","MoKα","","0.0774","0.0486","","","0.1034","0.1179","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207478","11.8563","0.0015","13.7789","0.0018","15.281","0.002","81.368","0.009","82.348","0.009","82.442","0.009","2430.3","0.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-[2-Methyl-5-(2-fluorophenyl)-3-thienyl]-2-(2-methyl-5-phenyl-3-thienyl)- 3,3,4,4,5,5-hexafluorocyclopent-1-ene","","- C27 H17 F7 S2 -","- C27 H17 F7 S2 -","- C108 H68 F28 S8 -","4","2","CF6476","Pu, Shou-Zhi; Li, Gui-Zhen; Wang, Ru-Ji; Zhao, Ji-Quan","3,3,4,4,5,5-Hexafluoro-1-[2-methyl-5-(2-fluorophenyl)-3-thienyl]-2-(2-methyl-5-phenyl-3-thienyl)cyclopent-1-ene, a new photochromic dithienylethene","Acta Crystallographica Section E","2005","61","12","o4246","o4249","10.1107/S160053680503816X","","","0.71073","MoKα","","0.0993","0.0697","","","0.1319","0.1446","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207479","8.332","0.005","10.797","0.01","8.939","0.002","90","","116.56","0.03","90","","719.3","0.8","295","","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","Zinc(II) Formaldehyde Sulfoxylate","Poly[di-μ~3~-hydroxymethanesulfinato-zinc(II)]","","- C2 H6 O6 S2 Zn -","- C2 H6 O6 S2 Zn -","- C8 H24 O24 S8 Zn4 -","4","1","CI6658","Masciocchi, Norberto; Rigamonti, Carlo; Maspero, Angelo","Poly[di-μ~3~-hydroxymethanesulfinato-zinc(II)]","Acta Crystallographica Section E","2005","61","12","m2683","m2685","10.1107/S1600536805038237","","","0.71073","MoKα","","0.0285","0.0283","","","0.0735","0.0738","","","","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207480","12.5579","0.001","20.3993","0.0017","13.2756","0.0011","90","","93.493","0.001","90","","3394.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(pyridine-kN)[salicylaldehyde (2-hydroxybenzoyl)hydrazonato-k^2^N,O]nickel(II) pyridine sesquisolvate","","- C36.5 H32.5 N6.5 Ni O3 -","- C36.5 H32.5 N6.5 Ni O3 -","- C146 H130 N26 Ni4 O12 -","4","1","CI6663","Zong-Qiu Hu; Wen-Hui Li; Yu Ding; Yu Wu","Tris(pyridine-κ<i>N</i>)[salicylaldehyde (2-hydroxybenzoyl)hydrazonato-κ^2^<i>N</i>,<i>O</i>]nickel(II) pyridine sesquisolvate","Acta Crystallographica Section E","2005","61","12","m2526","m2527","10.1107/S1600536805035701","","","0.71073","MoKα","","0.0671","0.0544","","","0.1451","0.1548","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2207481","11.0871","0.0017","11.8713","0.0019","12.0846","0.0019","117.308","0.004","96.217","0.006","100.195","0.005","1357.9","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","N-(1-Cyanocyclohexyl)-1,2,3-benzothiadiazole-7-carboxamide","","- C14 H14 N4 O S -","- C14 H14 N4 O S -","- C56 H56 N16 O4 S4 -","4","2","CI6667","Feng-Li Liu; Zhi-Jin Fan; Hai-Bin Song; Xiu-Feng Liu; Yong-Gang Zhang","<i>N</i>-(1-Cyanocyclohexyl)-1,2,3-benzothiadiazole-7-carboxamide","Acta Crystallographica Section E","2005","61","12","o4054","o4055","10.1107/S160053680503607X","","","0.71073","MoKα","","0.0607","0.0391","","","0.0902","0.1031","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207482","7.96","0.003","5.4531","0.0017","12.142","0.004","90","","95.379","0.006","90","","524.7","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4S)-4-Amino-5-phenylpentane-1,3-diol","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C22 H34 N2 O4 -","2","1","CI6669","Tan, Bin; Fang, Hua; Huang, Rong-Bin; Wei, Zan-Bin; Jin, Li-Ren","(3<i>S</i>,4<i>S</i>)-4-Amino-5-phenylpentane-1,3-diol","Acta Crystallographica Section E","2005","61","12","o4382","o4383","10.1107/S1600536805036421","","","0.71073","MoKα","","0.0345","0.0342","","","0.0996","0.1001","","","","","","0.983","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207483","9.4105","0.0003","9.5397","0.0002","10.1276","0.0004","88.564","0.002","73.253","0.002","72.304","0.002","827.48","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Trimethoprim fluoroborate","2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidinium fluoroborate","","- C14 H19 B F4 N4 O3 -","- C14 H19 B F4 N4 O3 -","- C28 H38 B2 F8 N8 O6 -","2","1","CI6673","Madhukar Hemamalini; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonding patterns in trimethoprim tetrafluoroborate","Acta Crystallographica Section E","2005","61","12","o4107","o4109","10.1107/S1600536805036615","","","0.71073","MoKα","","0.0598","0.0491","","","0.1237","0.1322","","","","","","1.146","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207484","9.7282","0.0006","15.7656","0.001","15.1477","0.001","90","","98.183","0.006","90","","2299.6","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquatris(nitrato-κ^2^O,O')(2,2':6,2''-terpyridine)praseodymium(III) acetone solvate","","- C18 H19 N6 O11 Pr -","- C18 H19 N6 O11 Pr -","- C72 H76 N24 O44 Pr4 -","4","1","CI6675","Charushnikova, Iraida A.; Den Auwer, Christophe","Aquatris(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6,2''-terpyridine)praseodymium(III) acetone solvate","Acta Crystallographica Section E","2005","61","12","m2514","m2516","10.1107/S1600536805035403","","","0.71073","MoKα","","0.0807","0.0453","","","0.0865","0.0978","","","","","","0.982","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207485","7.9168","0.0007","8.5941","0.0008","14.1572","0.0013","90.225","0.002","101.459","0.002","94.81","0.002","940.49","0.15","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","t(3),t(5)-Dimethyl N-nitroso-r(2),c(6)-bis(o-chlorophenyl)piperidine-4-one oxime.","","- C19 H19 Cl2 N3 O2 -","- C19 H19 Cl2 N3 O2 -","- C38 H38 Cl4 N6 O4 -","2","1","CI6677","Hema, R.; Parthasarathi, V.; Ravikumar, K.; Sridhar, B.; Pandiarajan, K.; Muthukumaran, G.","<i>r</i>-2,<i>c</i>-6-Bis(2-chlorophenyl)-<i>t</i>-3,<i>t</i>-5-dimethyl-1-nitrosopiperidin-4-one oxime","Acta Crystallographica Section E","2005","61","12","o3987","o3989","10.1107/S160053680503521X","","","0.71073","MoKα","","0.0409","0.0383","","","0.099","0.1008","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207486","10.8869","0.0009","6.1138","0.0005","17.3497","0.0014","90","","90.182","0.007","90","","1154.8","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tert-Butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C40 H68 N4 O16 -","4","1","CI6678","D. Gayathri; D. Velmurugan; Kantharaju; V.V. Suresh Babu","<i>tert</i>-Butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate","Acta Crystallographica Section E","2005","61","12","o4088","o4090","10.1107/S1600536805036068","","","0.71073","MoKα","","0.037","0.034","","","0.083","0.086","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207487","9.9029","0.0011","10.2823","0.0011","11.6261","0.0013","104.37","0.002","94.036","0.002","101.771","0.002","1113.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4'-(4-Bromobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine- 3',3''(2''H)-indole]-2,2''-dione","","- C26 H20 Br N3 O3 -","- C26 H20 Br N3 O3 -","- C52 H40 Br2 N6 O6 -","2","1","CI6682","K. Palani; M. N. Ponnuswamy; A. R. Suresh Babu; R. Raghunathan; K. Ravikumar","4'-(4-Bromobenzoyl)-1'-methyldispiro[indole-3(2<i>H</i>),2'-pyrrolidine-3',3''(2''<i>H</i>)-indole]-2,2''-dione","Acta Crystallographica Section E","2005","61","12","o4254","o4256","10.1107/S1600536805037888","","","0.71073","MoKα","","0.0633","0.0429","","","0.1047","0.1143","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207488","9.795","0.006","10.316","0.006","11.67","0.007","104.275","0.009","93.998","0.01","102.305","0.009","1107.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine- 3',3''(2''H)-indole]-2,2''-dione","","- C26 H20 Cl N3 O3 -","- C26 H20 Cl N3 O3 -","- C52 H40 Cl2 N6 O6 -","2","1","CI6683","K. Palani; M. N. Ponnuswamy; A. R. Suresh Babu; R. Raghunathan; M. Nethaji","4'-(4-Chlorobenzoyl)-1'-methyldispiro[indole-3(2<i>H</i>),2'-pyrrolidine-3',3''(2''<i>H</i>)-indole]-2,2''-dione","Acta Crystallographica Section E","2005","61","12","o4257","o4259","10.1107/S160053680503789X","","","0.71073","MoKα","","0.0481","0.0397","","","0.1018","0.1079","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207489","8.684","0.005","11.485","0.007","22.751","0.013","90","","90.852","0.01","90","","2269","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4'-(4-Methoxybenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine- 3',3''(2''H)-indole]-2,2''-dione","","- C27 H23 N3 O4 -","- C27 H23 N3 O4 -","- C108 H92 N12 O16 -","4","1","CI6684","K. Palani; M. N. Ponnuswamy; A. R. Suresh Babu; R. Raghunathan; M. Nethaji","4'-(4-Methoxybenzoyl)-1'-methyldispiro[indole-3(2<i>H</i>),2'-pyrrolidine-3',3''(2''<i>H</i>)-indole]-2,2''-dione","Acta Crystallographica Section E","2005","61","12","o4260","o4262","10.1107/S1600536805037906","","","0.71073","MoKα","","0.1076","0.0741","","","0.1207","0.1296","","","","","","1.193","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207490","12.9203","0.0007","13.949","0.0011","8.7609","0.001","90","","92.502","0.001","90","","1577.4","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-(2,4-Difluorophenyl)-3-(4-methoxyphenyl)-7H-1,2,4-triazolo[3,4- b][1,3,4]thiadiazine","","- C17 H12 F2 N4 O S -","- C17 H12 F2 N4 O S -","- C68 H48 F8 N16 O4 S4 -","4","1","CI6687","Li-Xue Zhang; San-Nv Zhou; An-Jiang Zhang; Xin-Xiang Lei; Chang-Xiu Cai","6-(2,4-Difluorophenyl)-3-(4-methoxyphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2005","61","12","o4058","o4059","10.1107/S1600536805036160","","","0.71073","MoKα","","0.0603","0.0501","","","0.1132","0.1187","","","","","","1.105","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207491","23.4","0.003","8.1922","0.001","15.7447","0.0019","90","","127.465","0.002","90","","2395.6","0.5","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dichlorobis[phosphonic tris(dimethylamide)]manganese(II)","","- C12 H36 Cl2 Mn N6 O2 P2 -","- C12 H36 Cl2 Mn N6 O2 P2 -","- C48 H144 Cl8 Mn4 N24 O8 P8 -","4","0.5","CI6688","Zhi Min Jin; Bing Tu; Ya Qin Li; Mei Chao Li","Dichlorobis[phosphonic tris(dimethylamide)]manganese(II)","Acta Crystallographica Section E","2005","61","12","m2510","m2511","10.1107/S1600536805035506","","","0.71073","MoKα","","0.0343","0.0325","","","0.0854","0.087","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207492","8.563","0.003","9.572","0.003","14.684","0.006","102.97","0.03","103.66","0.03","98.24","0.03","1114.9","0.7","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","3,3'-(1,4-Naphthalenedimethylene)bis(1-methylimidazolium) diiodide monohydrate","","- C20 H24 I2 N4 O -","- C20 H24 I2 N4 O -","- C40 H48 I4 N8 O2 -","2","1","CI6689","Lin-Hai Jing; Da-Bin Qin; Huan-Xia Zhang; Shao-Jin Gu; Zhi-Hua Mao","3,3'-(1,4-Naphthalenedimethylene)bis(1-methylimidazolium) diiodide monohydrate","Acta Crystallographica Section E","2005","61","12","o3992","o3993","10.1107/S1600536805035518","","","0.71073","MoKα","","0.0553","0.0315","","","0.0769","0.0834","","","","","","0.999","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207493","29.203","0.007","4.0724","0.001","16.679","0.004","90","","120.465","0.003","90","","1709.7","0.7","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 5-bromosalicylate","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C64 H56 Br8 O24 -","8","1","CI6690","Xiao, Feng-Ping; Li, Fen-Fang; Jin, Long-Fei; Wu, Yong-Fei","Methyl 5-bromosalicylate","Acta Crystallographica Section E","2005","61","12","o4171","o4172","10.1107/S1600536805035567","","","0.71073","MoKα","","0.0478","0.0358","","","0.093","0.0993","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207494","14.983","0.001","13.587","0.001","25.143","0.002","90","","90","","90","","5118.5","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]zinc(II)","","- C26 H30 Br2 N2 O2 Zn -","- C26 H30 Br2 N2 O2 Zn -","- C208 H240 Br16 N16 O16 Zn8 -","8","1","CI6692","You, Zhong-Lu","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]zinc(II)","Acta Crystallographica Section E","2005","61","12","m2493","m2494","10.1107/S160053680503552X","","","0.71073","MoKα","","0.1027","0.0514","","","0.1093","0.1306","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207495","10.759","0.001","11.108","0.001","12.439","0.001","113.74","0.01","104.39","0.01","94.99","0.01","1288.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(cyclohexyliminomethyl)-4-nitrophenolato]zinc(II)","","- C26 H30 N4 O6 Zn -","- C26 H30 N4 O6 Zn -","- C52 H60 N8 O12 Zn2 -","2","1","CI6693","You, Zhong-Lu","Bis[2-(cyclohexyliminomethyl)-4-nitrophenolato]zinc(II)","Acta Crystallographica Section E","2005","61","12","m2495","m2496","10.1107/S1600536805035531","","","0.71073","MoKα","","0.0588","0.0469","","","0.1023","0.1084","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207496","11.363","0.001","16.873","0.002","11.266","0.001","90","","113.283","0.001","90","","1984.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(cyclopropyliminomethyl)-4-nitrophenolato]zinc(II)","","- C20 H18 N4 O6 Zn -","- C20 H18 N4 O6 Zn -","- C80 H72 N16 O24 Zn4 -","4","1","CI6694","You, Zhong-Lu","Bis[2-(cyclopropyliminomethyl)-4-nitrophenolato]zinc(II)","Acta Crystallographica Section E","2005","61","12","m2497","m2498","10.1107/S1600536805035543","","","0.71073","MoKα","","0.0721","0.0548","","","0.1116","0.1197","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207497","23.574","0.002","7.926","0.001","24.264","0.002","90","","110.881","0.001","90","","4235.9","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2,4-dichloro-6-(cyclopropyliminomethyl)phenolato]zinc(II)","","- C20 H16 Cl4 N2 O2 Zn -","- C20 H16 Cl4 N2 O2 Zn -","- C160 H128 Cl32 N16 O16 Zn8 -","8","1","CI6695","You, Zhong-Lu","Bis[2,4-dichloro-6-(cyclopropyliminomethyl)phenolato]zinc(II)","Acta Crystallographica Section E","2005","61","12","m2499","m2500","10.1107/S1600536805035555","","","0.71073","MoKα","","0.056","0.0406","","","0.0963","0.1045","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207498","23.26","0.002","13.305","0.002","13.119","0.003","90","","90","","90","","4060","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-bromo-2-(cyclopropyliminomethyl)phenolato]zinc(II)","","- C20 H18 Br2 N2 O2 Zn -","- C20 H18 Br2 N2 O2 Zn -","- C160 H144 Br16 N16 O16 Zn8 -","8","1","CI6696","You, Zhong-Lu","Bis[4-bromo-2-(cyclopropyliminomethyl)phenolato]zinc(II)","Acta Crystallographica Section E","2005","61","12","m2501","m2502","10.1107/S1600536805035579","","","0.71073","MoKα","","0.1033","0.0431","","","0.0824","0.1016","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207499","8.4115","0.0003","9.6525","0.0003","23.3886","0.0008","90","","90","","90","","1898.97","0.11","150","1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S)-N,N'-Dicyanoethyl-1,2-(2-hydroxyphenyl)ethylenediamine","3,3'-[1,2-bis(2-hydroxyphenyl)ethane-1,2-diyldiimino]propanenitrile","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C80 H88 N16 O8 -","4","1","CI6697","Chun, Cindy P.; Kim, Woosung; Kim, Hyunwoo; Chin, Jik; Lough, Alan J.","(<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-Dicyanoethyl-1,2-(2-hydroxyphenyl)ethylenediamine","Acta Crystallographica Section E","2005","61","12","o4328","o4330","10.1107/S1600536805037876","","","0.71073","MoKα","","0.0607","0.0391","","","0.0864","0.0959","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207500","7.1217","0.0013","7.3672","0.0014","18.959","0.003","98.319","0.003","92.196","0.003","100.566","0.003","965.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Smeathxanthone A","2-(3,7-Dimethylocta-2,6-dienyl)-1,3,5,8-tetrahydroxyxanthone","","- C23 H24 O6 -","- C23 H24 O6 -","- C46 H48 O12 -","2","1","CI6698","M. Iqbal Choudhary; Rasheeda Swaleh; Shazia Anjum; Alain Meli Lannang; Shamsher Ali; Hoong-Kun Fun","2-(3,7-Dimethylocta-2,6-dienyl)-1,3,5,8-tetrahydroxyxanthone","Acta Crystallographica Section E","2005","61","12","o4313","o4315","10.1107/S1600536805038213","","","0.71073","MoKα","","0.0687","0.0564","","","0.1482","0.165","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207501","9.0963","0.0002","9.1215","0.0002","13.6215","0.0003","71.136","0.001","86.899","0.001","72.431","0.001","1018.42","0.04","297","2","297","2","","","","","","","","4","P -1","-P 1","2","Tetra-2-pyridylcarbohydrazone","N''-N'''-Bis(di-2-pyridylmethylene)carbonic dihydrazide","","- C23 H18 N8 O -","- C23 H18 N8 O -","- C46 H36 N16 O2 -","2","1","CI6701","E. Manoj; M. R. Prathapachandra Kurup; Hoong-Kun Fun; Suchada Chantrapromma","<i>N</i>''-<i>N</i>'''-Bis(di-2-pyridylmethylene)carbonic dihydrazide","Acta Crystallographica Section E","2005","61","12","o4110","o4112","10.1107/S1600536805036688","","","0.71073","MoKα","","0.0701","0.045","","","0.1014","0.1163","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207502","13.0748","0.0002","6.0256","0.0001","14.4306","0.0001","90","","109.79","0.001","90","","1069.75","0.03","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Zinc(II) bis[thiosemicarbazide] maleate","Bis(thiosemicarbazide)zinc(II) bis(maleate) dihydrate","","- C10 H24 N6 O12 S2 Zn -","- C10 H24 N6 O12 S2 Zn -","- C20 H48 N12 O24 S4 Zn2 -","2","0.5","CI6703","Sheng-Li Li; Jie-Ying Wu; Yu-Peng Tian; Hoong-Kun Fun; Suchada Chantrapromma","Bis(thiosemicarbazide)zinc(II) bis(maleate) dihydrate","Acta Crystallographica Section E","2005","61","12","m2701","m2703","10.1107/S1600536805038353","","","0.71073","MoKα","","0.0623","0.0507","","","0.1234","0.1276","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207503","12.3909","0.0009","11.167","0.0008","14.198","0.001","90","","100.991","0.001","90","","1928.5","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","r-2,c-6-Bis(4-chlorophenyl)-t-3,t-5-dimethyl-1-nitrosopiperidin-4-one oxime","","- C19 H19 Cl2 N3 O2 -","- C19 H19 Cl2 N3 O2 -","- C76 H76 Cl8 N12 O8 -","4","1","CI6706","Hema, R.; Parthasarathi, V.; Ravikumar, K.; Sridhar, B.; Pandiarajan, K.","<i>r</i>-2,<i>c</i>-6-Bis(4-chlorophenyl)-<i>t</i>-3,<i>t</i>-5-dimethyl-1-nitrosopiperidin-4-one oxime","Acta Crystallographica Section E","2005","61","12","o4345","o4347","10.1107/S1600536805038432","","","0.71073","MoKα","","0.0473","0.0418","","","0.1119","0.1168","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207504","7.9578","0.0013","7.0567","0.0012","15.642","0.003","90","","100.483","0.003","90","","863.7","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","t-3-Methyl-1-nitroso-r-2,c-6-diphenylpiperidin-4-one oxime monohydrate","","- C18 H21 N3 O3 -","- C18 H21 N3 O3 -","- C36 H42 N6 O6 -","2","1","CI6707","Hema, R.; Parthasarathi, V.; Ravikumar, K.; Pandiarajan, K.; Muthukumaran, G.","<i>t</i>-3-Methyl-1-nitroso-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one oxime monohydrate","Acta Crystallographica Section E","2005","61","12","o4348","o4350","10.1107/S1600536805038444","","","0.71073","MoKα","","0.0526","0.0499","","","0.1337","0.1364","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207505","11.974","0.0008","8.7618","0.0004","16.9051","0.0012","90","","97.454","0.006","90","","1758.59","0.19","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[N-(2-hydroxyethyl)ethylenediamine-κ^3^N,N',O]nickel(II) squarate monohydrate","","- C12 H26 N4 Ni O7 -","- C12 H26 N4 Ni O7 -","- C48 H104 N16 Ni4 O28 -","4","1","CI6709","Ibrahim Uçar; Ahmet Bulut","Bis[<i>N</i>-(2-hydroxyethyl)ethylenediamine-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]nickel(II) squarate monohydrate","Acta Crystallographica Section E","2005","61","12","m2730","m2732","10.1107/S1600536805039036","","","0.71073","MoKα","","0.0518","0.0417","","","0.0902","0.0945","","","","","","1.058","","","","has coordinates","206183","2020-10-21","18:00:00",""
"2207506","5.9059","0.0001","23.3103","0.0003","18.4042","0.0002","90","","103.438","0.001","90","","2464.31","0.06","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Prunifoxanthone A","1,6,7-Trihydroxy-3-methoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one chloroform solvate","","- C25 H27 Cl3 O6 -","- C25 H27 Cl3 O6 -","- C100 H108 Cl12 O24 -","4","1","CI6713","Nawong Boonnak; Suchada Chantrapromma; Hoong-Kun Fun; Chatchanok Karalai","1,6,7-Trihydroxy-3-methoxy-2,8-bis(3-methyl-2-butenyl)-9<i>H</i>-xanthen-9-one chloroform solvate","Acta Crystallographica Section E","2005","61","12","o4376","o4378","10.1107/S1600536805038900","","","0.71073","MoKα","","0.074","0.0634","","","0.2047","0.2183","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207507","7.979","0.006","9.222","0.004","9.653","0.005","75.54","0.04","69.18","0.05","65.39","0.04","599.3","0.7","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl naphthalene-1,4-dicarboxylate","","- C14 H12 O4 -","- C14 H12 O4 -","- C28 H24 O8 -","2","1","CI6715","Lin-Hai Jing; Da-Bin Qin; Zhi-Hua Mao; Shao-Jin Gu; Huan-Xia Zhang","Dimethyl naphthalene-1,4-dicarboxylate","Acta Crystallographica Section E","2005","61","12","o4365","o4366","10.1107/S1600536805038894","","","0.71073","MoKα","","0.1261","0.0591","","","0.1625","0.1914","","","","","","0.942","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2207508","16.9406","0.0004","3.8619","0.0001","21.7968","0.0004","90","","106.52","0.01","90","","1367.15","0.09","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-hydroxy-7,4'-dimethoxyflavone","5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","CI9676","Jeannie Bee Jan Teh; Hoong-Kun Fun; Abdul Razak Ibrahim; Suchada Chantrapromma; Nawong Boonnak; Chatchanok Karalai","5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one. Corrigendum","Acta Crystallographica, Section E","2005","61","12","e11","e11","10.1107/S1600536805037840","","","0.71073","MoKα","","0.0755","0.0462","","","0.1111","0.128","","","","","","1.046","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207509","5.1084","0.0008","11.5966","0.0018","18.166","0.003","90","","94.018","0.003","90","","1073.5","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-propyl 5-nitrosalicylate","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","CV6598","Li, Fen-Fang; Xiao, Feng-Ping; Xu, Zhao-Bing; Jin, Long-Fei; Guo, Qian-Li","1-Propyl 5-nitrosalicylate","Acta Crystallographica Section E","2005","61","12","o3994","o3995","10.1107/S1600536805035269","","","0.71073","MoKα","","0.1373","0.0561","","","0.128","0.1661","","","","","","0.968","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207510","8.0807","0.001","13.2419","0.0016","14.579","0.0018","68.321","0.002","83.256","0.002","78.163","0.002","1417.4","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Chlorobis(1,10-phenanthroline)copper(II) 2-carboxybenzenesulfonate monohydrat","","- C31 H23 Cl Cu N4 O6 S -","- C31 H23 Cl Cu N4 O6 S -","- C62 H46 Cl2 Cu2 N8 O12 S2 -","2","1","CV6600","Wei-Bing Zhang; Jia-Guo Wang; Han-Xiang Chen; Hong-Ping Xiao","Chlorobis(1,10-phenanthroline)copper(II) 2-carboxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2005","61","12","m2559","m2560","10.1107/S1600536805036202","","","0.71073","MoKα","","0.0635","0.0543","","","0.1218","0.1269","","","","","","1.119","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207511","7.6594","0.0011","13.3257","0.0012","14.1456","0.0012","72.716","0.006","85.868","0.006","74.749","0.006","1330","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2,2'-Diamino-4,4'-bi-1,3-thiazol-3,3'-diium bis(2,2'-diamino-4,4'-bi-1,3-thiazol-3-ium) tetrakis(2-nitrobenzoate)","","- C46 H38 N16 O16 S6 -","- C46 H38 N16 O16 S6 -","- C46 H38 N16 O16 S6 -","1","0.5","CV6601","Bing-Xin Liu; Jian-Yong Yu; Duan-Jun Xu","2,2'-Diamino-4,4'-bi-1,3-thiazol-3,3'-diium bis(2,2'-diamino-4,4'-bi-1,3-thiazol-3-ium) tetrakis(2-nitrobenzoate)","Acta Crystallographica Section E","2005","61","12","o4119","o4120","10.1107/S1600536805036561","","","0.71073","MoKα","","0.053","0.038","","","0.098","0.108","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207512","12.034","0.004","18.672","0.008","12.218","0.005","90","","107.67","0.03","90","","2615.8","1.8","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(dibenzylamine)silver(I) nitrate","","- C28 H30 Ag N3 O3 -","- C28 H30 Ag N3 O3 -","- C112 H120 Ag4 N12 O12 -","4","1","CV6602","Brito, Iván; López-Rodríguez, Matías; Vargas, Danitza; Cárdenas, Alejandro","Bis(dibenzylamine)silver(I) nitrate","Acta Crystallographica Section E","2005","61","12","m2626","m2628","10.1107/S1600536805037013","","","0.71073","MoKα","","","0.0462","","","","0.1021","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207513","10.7261","0.0003","12.0606","0.0004","13.4213","0.0004","107.719","0.002","103.656","0.002","108.751","0.002","1454.81","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,8-Bis(3-phenylquinoxalin-2-yl)-5λ^6^-dibenzo[b,d]thiophene-5,5-dione","","- C40 H24 N4 O2 S -","- C40 H24 N4 O2 S -","- C80 H48 N8 O4 S2 -","2","1","CV6605","Tai-Hsiang Huang; Wha-Tzong Whang; Yuh-Sheng Wen; Jiann T. Lin","2,8-Bis(3-phenylquinoxalin-2-yl)-5λ^6^-dibenzo[<i>b</i>,<i>d</i>]thiophene-5,5-dione","Acta Crystallographica Section E","2005","61","12","o4126","o4127","10.1107/S1600536805037116","","","0.71073","MoKα","","0.0627","0.0372","","","0.0629","0.066","","","","","","0.817","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207514","9.7819","0.0003","13.3852","0.0003","14.471","0.0004","98.446","0.001","102.79","0.001","105.392","0.001","1738.31","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ-dimethyl 1-[1-methoxycarbonyl-3-(methoxyoxalyl)-2-methylpropenyl]-3,3- dimethylcyclopropane-1,2- dicarboxylato(2-)}bis[(triphenylphosphine)palladium(II)] acetone solvate","","- C75 H80 O19 P2 Pd2 -","- C75 H80 O19 P2 Pd2 -","- C75 H80 O19 P2 Pd2 -","1","0.5","CV6607","Bolte, Michael; Rivas Nass, Andreas; Hashmi, A. Stephen K.","Bis{μ-dimethyl 1-[1-methoxycarbonyl-3-(methoxyoxalyl)-2-methylpropenyl]-3,3-dimethylcyclopropane-1,2-dicarboxylato(2‒)}bis[(triphenylphosphine)palladium(II)] acetone solvate","Acta Crystallographica Section E","2005","61","12","m2677","m2679","10.1107/S1600536805037839","","","0.71073","MoKα","","0.132","0.0589","","","0.1267","0.1556","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207515","8.4871","0.0008","12.9037","0.0012","18.2256","0.0017","90","","90","","90","","1996","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Matrinium Tetrachloroferrate","","- C15 H25 Cl4 Fe N2 O -","- C15 H25 Cl4 Fe N2 O -","- C60 H100 Cl16 Fe4 N8 O4 -","4","1","DN6265","Zhi-Min Jin; Zu-Guang Li; Li Li; Mei-Chao Li; Mao-Lin Hu","Matrinium tetrachloroferrate(III)","Acta Crystallographica Section E","2005","61","12","m2466","m2468","10.1107/S1600536805035075","","","0.71073","MoKα","","0.0639","0.0544","","","0.1197","0.1228","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207516","28.035","0.002","8.7132","0.0017","21.92","0.002","90","","112.92","0.03","90","","4931.8","1.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-Aqua-κ^2^O:O-di-μ-phenylacetato-κ^2^O:O'-bis[(1,10-phenanthroline- κ^2^N,N')(phenylacetato-κO)cobalt(II)]","","- C56 H46 Co2 N4 O9 -","- C56 H46 Co2 N4 O9 -","- C224 H184 Co8 N16 O36 -","4","0.5","DN6266","Kong, Li-Li; Huo, Li-Hua; Gao, Shan; Zhao, Jing-Gui","μ-Aqua-κ^2^<i>O</i>:<i>O</i>-di-μ-phenylacetato-κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(phenylacetato-κ<i>O</i>)cobalt(II)]","Acta Crystallographica Section E","2005","61","12","m2485","m2487","10.1107/S1600536805035440","","","0.71073","MoKα","","0.0489","0.0362","","","0.0924","0.0983","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207517","11.2682","0.0007","14.1695","0.0009","16.0841","0.001","90","","90","","90","","2568.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,5R,6S,7S,10S,11R,15S,18R,19R)-5,10,19-triacetoxy-12,12- dimethyl-2-methylene-9,16-dioxapentacyclo [14.2.1.0^6,18^.0^7,11^.0^7,15^]nonadecane-1,17-dione","","- C26 H32 O10 -","- C26 H32 O10 -","- C104 H128 O40 -","4","1","DN6269","Shi, Hao","(3<i>S</i>,5<i>R</i>,6<i>S</i>,7<i>S</i>,10<i>S</i>,11<i>R</i>,15<i>S</i>,18<i>R</i>,19<i>R</i>)-12,12-Dimethyl-2-methylene-1,17-dioxo-9,16-dioxapentacyclo[14.2.1.0^6,18^.0^7,11^.0^7,15^]nonadeca-5,10,19-triyl triacetate","Acta Crystallographica Section E","2005","61","12","o3966","o3967","10.1107/S1600536805035099","","","0.71073","MoKα","","0.0648","0.0455","","","0.1033","0.1105","","","","","","0.963","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207518","10.1963","0.0005","14.0035","0.0007","32.1357","0.0017","90","","98.508","0.001","90","","4538","0.4","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Aqua(1,10-phenanthroline)[1,1,1-trifluoro-3-(2-thenoyl)acetonato]copper(II) (1,10-phenanthroline)(5-sulfonatosalicylato)[1,1,1-trifluoro- 3-(2-thenoyl)acetonato]copper(II)","","- C47 H30 Cu2 F6 N4 O11 S3 -","- C47 H30 Cu2 F6 N4 O11 S3 -","- C188 H120 Cu8 F24 N16 O44 S12 -","4","1","DN6270","Fan, Sai-Rong; Zhu, Long-Guan","Aqua(1,10-phenanthroline)[1,1,1-trifluoro-3-(2-thenoyl)acetonato]copper(II) (1,10-phenanthroline)(5-sulfonatosalicylato)[1,1,1-trifluoro-3-(2-thenoyl)acetonato]cuprate(II)","Acta Crystallographica Section E","2005","61","12","m2480","m2482","10.1107/S1600536805035452","","","0.71073","MoKα","","0.073","0.0568","","","0.1169","0.1244","","","","","","1.129","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207519","11.0058","0.0007","10.199","0.0007","12.7693","0.0008","90","","106.922","0.001","90","","1371.27","0.15","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Nigricin","4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone","","- C17 H12 O6 -","- C17 H12 O6 -","- C68 H48 O24 -","4","1","DN6271","Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; Suad Naheed; M. Iqbal Choudhary; Shazia Anjum","4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone","Acta Crystallographica Section E","2005","61","12","o4310","o4312","10.1107/S1600536805036962","","","0.71073","MoKα","","0.0495","0.04","","","0.1044","0.1116","","","","","","1.053","","","","has coordinates,has Fobs","192347","2020-10-21","18:00:00",""
"2207520","11.9319","0.0008","14.3968","0.0009","15.3024","0.0009","116.811","0.003","108.353","0.003","95.164","0.004","2141.6","0.3","150","1","150","2","","","","","","","","5","P -1","-P 1","2","","Tris(1-cyclopropyl-6-methyl-2-N-methylaminocarbonyl-4-oxo-1,4-dihydropyridin- 4-olato)iron(III) dimethylformamide sesquisolvate dihydrate","","- C37.5 H53.5 Fe N7.5 O12.5 -","- C36 H50 Fe N7 O12 -","- C72 H100 Fe2 N14 O24 -","2","1","DN6272","Tam, Tim F.; Leung-Toung, Regis; Wang, Yingsheng; Spino, Michael; Lough, Alan J.","Tris(1-cyclopropyl-6-methyl-2-(<i>N</i>-methylaminocarbonyl)-4-oxo-1,4-dihydropyridin-4-olato)iron(III) dimethylformamide sesquisolvate dihydrate","Acta Crystallographica Section E","2005","61","12","m2601","m2603","10.1107/S1600536805036251","","","0.71073","MoKα","","0.0964","0.0619","","","0.1621","0.1761","","","","","","1.117","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207521","14.6448","0.0015","12.4388","0.0012","13.2805","0.0014","90","","98.362","0.002","90","","2393.5","0.4","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2,6-di-tert-butyl-4,8-dioxo-1,2,5,6-tetrahydro-2,3a,4a,6,7a,8a- hexaazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C20 H32 N6 O6 -","- C20 H32 N6 O6 -","- C80 H128 N24 O24 -","4","1","DN6273","Li, Yi-Tao; Wang, Zhi-Guo; Chen, Yun-Feng; Chen, Ai-Hua","Dimethyl 2,6-di-<i>tert</i>-butyl-4,8-dioxo-1,2,5,6-tetrahydro-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2005","61","12","o4128","o4129","10.1107/S1600536805037050","","","0.71073","MoKα","","0.0584","0.0492","","","0.1392","0.1478","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207522","16.896","0.002","8.3711","0.001","20.345","0.003","90","","90","","90","","2877.6","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,6-Dibromo-9-isopropyl-9H-carbazole","","- C15 H13 Br2 N -","- C15 H13 Br2 N -","- C120 H104 Br16 N8 -","8","1","DN6274","Cui, Jian-Lan; Huang, Peng-Mian; Guo, Wen-Long","3,6-Dibromo-9-isopropyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2005","61","12","o4227","o4228","10.1107/S1600536805037372","","","0.71073","MoKα","","0.1088","0.0504","","","0.119","0.1439","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207523","7.3595","0.0008","9.2465","0.0014","20.323","0.003","90","","90","","90","","1383","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-(+)-2,3-Methylenedioxy-8-oxoberbine","(R)-(+)-5,6,13,13a-tetrahydro-2,3-methylenedioxy-8H- dibenzo[a,g]quinolizin-8-one","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","DN6276","Gzella, Andrzej; Chrzanowska, Maria; Dreas, Agnieszka","(<i>R</i>)-(+)-2,3-Methylenedioxy-8-oxoberbine","Acta Crystallographica Section E","2005","61","12","o4165","o4166","10.1107/S1600536805037244","","","1.54178","CuKα","","0.035","0.0312","","","0.0842","0.0868","","","","","","1.049","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207524","9.761","0.002","12.891","0.003","10.901","0.002","90","","110.64","0.02","90","","1283.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Di-μ-chloro-bis[aqua(caffeine)chlorocopper(II)]","Di-μ-chloro-bis[aquachloro(3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6- dione)copper(II)]","","- C16 H24 Cl4 Cu2 N8 O6 -","- C16 H24 Cl4 Cu2 N8 O6 -","- C32 H48 Cl8 Cu4 N16 O12 -","2","0.5","DN6277","Zhi-Min Jin; Wen-Jie Feng; Li Li; Xin-Ju Ma; Dong-Shun Dun","Di-μ-chloro-bis[aqua(caffeine)chlorocopper(II)]","Acta Crystallographica Section E","2005","61","12","m2631","m2633","10.1107/S1600536805037104","","","0.71073","MoKα","","0.0534","0.0297","","","0.0572","0.0601","","","","","","0.803","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207525","10.1586","0.0009","14.4156","0.0013","11.9245","0.0011","90","","113.675","0.002","90","","1599.3","0.3","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Isopropyl-2-propoxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","1","DN6278","Zeng, Xiao-Hua; Yuan, Ju-Zhen; Huang, Nian-Yu; Ding, Ming-Wu; He, Hong-Wu","3-Isopropyl-2-propoxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","12","o4336","o4337","10.1107/S1600536805038158","","","0.71073","MoKα","","0.079","0.0501","","","0.1146","0.1256","","","","","","0.922","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207526","18.5563","0.0011","7.7666","0.0005","27.4354","0.0017","90","","90","","90","","3954","0.4","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","1,3-Bis(3,4,5-trimethoxyphenyl)-2,3-epoxypropanone","","- C21 H24 O8 -","- C21 H24 O8 -","- C168 H192 O64 -","8","1","DN6279","Cuthbertson, Timothy; Groy, Thomas L.; Rose, Seth D.","1,3-Bis(3,4,5-trimethoxyphenyl)-2,3-epoxypropanone: an anticancer chalcone epoxide","Acta Crystallographica Section E","2005","61","12","o4300","o4302","10.1107/S1600536805038328","","","0.71073","MoKα","","0.074","0.0632","","","0.1321","0.1368","","","","","","1.191","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207527","9.661","0.003","10.364","0.004","12.23","0.006","107.74","0.04","94.68","0.03","99.22","0.03","1140.1","0.9","225","2","225","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(2-methoxy-5-pyridyl)silane","","- C24 H24 N4 O4 Si -","- C24 H24 N4 O4 Si -","- C48 H48 N8 O8 Si2 -","2","1","ER6026","Saied, Okba; Maris, Thierry; Simard, Michel; Wuest, James D.","Tetrakis(2-methoxy-5-pyridyl)silane","Acta Crystallographica Section E","2005","61","12","o4136","o4138","10.1107/S1600536805036445","","","1.54178","CuKα","","0.0597","0.0574","","","0.1698","0.1726","","","","","","1.114","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207528","12.166","0.004","7.677","0.003","9.243","0.003","90","","96.613","0.006","90","","857.5","0.5","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[4-(2,2-Dimethylpropionylamino)phenyl]-2,2-dimethylpropionamide","","- C16 H24 N2 O2 -","- C16 H24 N2 O2 -","- C32 H48 N4 O4 -","2","0.5","ER6031","Hui-Zhen Guo; Guo-Dong Yin; Neng-Fang She; An-Xin Wu","<i>N</i>-[4-(2,2-Dimethylpropionylamino)phenyl]-2,2-dimethylpropionamide","Acta Crystallographica Section E","2005","61","12","o4062","o4063","10.1107/S1600536805035993","","","0.71073","MoKα","","0.0905","0.0679","","","0.1608","0.1738","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207529","12.804","0.002","10.139","0.002","15.734","0.002","90","","96.703","0.011","90","","2028.6","0.6","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mer-(2,2'-Bipyridine)trichloro(tetramethylene sulfoxide)ruthenium(III) dichloromethane solvate","","- C15 H18 Cl5 N2 O Ru S -","- C15 H18 Cl5 N2 O Ru S -","- C60 H72 Cl20 N8 O4 Ru4 S4 -","4","1","ER6032","Srivastava, Radhey S.; Fronczek, Frank R.","<i>mer</i>-(2,2'-Bipyridine)trichloro(tetramethylene sulfoxide)ruthenium(III) dichloromethane solvate","Acta Crystallographica Section E","2005","61","12","m2572","m2574","10.1107/S1600536805036238","","","0.71073","MoKα","","0.077","0.041","","","0.077","0.086","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207530","10.6924","0.0004","19.6175","0.0007","16.5993","0.0006","90","","93.773","0.001","90","","3474.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1014mw KA-36-A","2-[1-(Benzylphenylphosphinothioyl)-2-phenylethyl]-2'-[(E)-2-chlorovinyl]- 1,1'-binaphthyl","","- C43 H34 Cl P S -","- C43 H34 Cl P S -","- C172 H136 Cl4 P4 S4 -","4","1","FL6185","Peter Kasák; Widhalm, Michael; Mereiter, Kurt","2-[1-(Benzylphenylphosphinothioyl)-2-phenylethyl]-2'-[(<i>E</i>)-2-chlorovinyl]-1,1'-binaphthyl","Acta Crystallographica Section E","2005","61","12","o4093","o4095","10.1107/S1600536805034033","","","0.71073","MoKα","","0.0541","0.0453","","","0.1137","0.1209","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207531","20.293","0.003","9.999","0.003","37.594","0.003","90","","91.53","0.01","90","","7625","3","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-bis[4-(p-chlorophenyl)-1,3-thiazol-2-yl]disulfane","","- C18 H10 Cl2 N2 S4 -","- C18 H10 Cl2 N2 S4 -","- C288 H160 Cl32 N32 S64 -","16","2","FL6195","Hartung, Jens; Daniel, Kristina; Schmidt, Philipp; Laug, Stefanie; Svoboda, Ingrid; Fuess, Hartmut","A polymorph of 1,2-bis[4-(4-chlorophenyl)-1,3-thiazol-2-yl]disulfane","Acta Crystallographica, Section E","2005","61","12","o3971","o3973","10.1107/S1600536805034859","","","0.71073","MoKα","","0.1098","0.0394","","","0.0943","0.1226","","","","","","0.993","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207532","22.643","0.002","5.702","0.002","15.315","0.003","90","","106.28","0.01","90","","1898","0.8","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-bis[4-(p-chlorophenyl)-1,3-thiazol-2-yl]disulfane","","- C18 H10 Cl2 N2 S4 -","- C18 H10 Cl2 N2 S4 -","- C72 H40 Cl8 N8 S16 -","4","1","FL6196","Hartung, Jens; Daniel, Kristina; Schmidt, Philipp; Laug, Stefanie; Svoboda, Ingrid; Fuess, Hartmut","1,2-Bis[4-(4-chlorophenyl)-1,3-thiazol-2-yl]disulfane","Acta Crystallographica, Section E","2005","61","12","o3974","o3976","10.1107/S1600536805034860","","","0.71093","MoKα","","0.1457","0.039","","","0.0924","0.1176","","","","","","0.967","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207533","10.5135","0.0005","10.5135","0.0005","41.618","0.003","90","","90","","90","","4600.2","0.5","299","2","273","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Quininium S-2-chloro-n-butyrate","6'-methoxy (8α, 9R) Cinchonan-9-ol (2s)-2-chloro-Butanoate","","- C24 H31 Cl N2 O4 -","- C24 H31 Cl N2 O4 -","- C192 H248 Cl8 N16 O32 -","8","1","FL6199","Samas, Brian; Blackburn, Anthony C.; Kreuchauf, Kenneth C.","Quininium (<i>S</i>)-2-chloro-<i>n</i>-butyrate","Acta Crystallographica Section E","2005","61","12","o3983","o3984","10.1107/S1600536805035294","","","0.71073","MoKα","","0.0589","0.0507","","","0.1017","0.1051","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207534","7.4654","0.0002","9.9907","0.0003","20.3404","0.0005","90","","90","","90","","1517.08","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-α-methylbenzylammonium (R)-2-carboxymethyl-5-oxofuran-2-carboxylate","","- C15 H19 N O6 -","- C15 H19 N O6 -","- C60 H76 N4 O24 -","4","1","FL6200","Jia, Yun-Hua; Palmer, David R. J.; Quail, J. Wilson","The mono-(<i>S</i>)-α-methylbenzylammonium salt of (<i>R</i>)-homocitric lactone","Acta Crystallographica Section E","2005","61","12","o4034","o4036","10.1107/S1600536805034240","","","0.71073","MoKα","","0.0564","0.0417","","","0.0896","0.0972","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207535","10.114","0.002","6.5143","0.0014","19.311","0.004","90","","93.372","0.003","90","","1270.1","0.5","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5endo,6endo-di-(acetoxymethyl)-bicyclo[2.2.1]hept-2-ene","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","FL6201","Lili Sun; Chunbao Li; Huiming Chen","5-<i>endo</i>,6-<i>endo</i>-Bis(acetoxymethyl)bicyclo[2.2.1]hept-2-ene","Acta Crystallographica, Section E","2005","61","12","3981","o3982","10.1107/S1600536805035051","","","0.71073","MoKα","","0.0715","0.0442","","","0.1106","0.1278","","","","","","1.004","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207536","7.028","0.004","7.981","0.005","9.69","0.006","90.414","0.008","90.672","0.007","105.677","0.007","523.2","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis[5-(4-pyridyl)-1,3,4-oxadiazole-2-thiolato-κN^4^]zinc(II) dihydrate","","- C14 H20 N6 O8 S2 Zn -","- C14 H20 N6 O8 S2 Zn -","- C14 H20 N6 O8 S2 Zn -","1","0.5","FL6202","Xu, Hong Xia; Ma, Jian Ping; Huang, Ru Qi; Dong, Yu Bin","Tetraaquabis[5-(4-pyridyl)-1,3,4-oxadiazole-2-thiolato-κ<i>N</i>^4^]zinc(II) dihydrate","Acta Crystallographica Section E","2005","61","12","m2462","m2463","10.1107/S1600536805034987","","","0.71073","MoKα","","0.0267","0.0261","","","0.067","0.0674","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2207537","8.3102","0.0015","10.332","0.0016","13.995","0.002","84.549","0.013","79.701","0.015","72.128","0.012","1124.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aqua[N,N'-ethylenebis(5-nitrosalicylideneiminato)]methanolmanganese(III) perchlorate","","- C17 H18 Cl Mn N4 O12 -","- C17 H18 Cl Mn N4 O12 -","- C34 H36 Cl2 Mn2 N8 O24 -","2","1","HB2001","Butcher, Ray J.; Towns, William","Aqua[<i>N</i>,<i>N</i>'-ethylenebis(5-nitrosalicylideneiminato)]methanolmanganese(III) perchlorate","Acta Crystallographica Section E","2005","61","12","m2618","m2620","10.1107/S1600536805036913","","","0.71073","MoKα","","0.0941","0.0555","","","0.1277","0.1464","","","","","","1.027","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207538","15.563","0.002","12.975","0.002","16.486","0.003","90","","96.48","0.01","90","","3307.7","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ-6-methylpyridin-2-olato-ditungsten toluene sesquisolvate","","- C34.5 H36 N4 O4 W2 -","- C34.5 H36 N4 O4 W2 -","- C138 H144 N16 O16 W8 -","4","1","HB6284","Chisholm, Malcolm H.; Gallucci, Judith C.; Hollandsworth, Carl B.","Tetra-μ-6-methylpyridin-2-olato-ditungsten toluene sesquisolvate","Acta Crystallographica Section E","2005","61","12","m2503","m2504","10.1107/S1600536805035397","","","0.71073","MoKα","","0.0563","0.0344","","","0.0735","0.0805","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2207539","8.7183","0.0009","14.0994","0.0016","16.9212","0.0018","90","","100.9","0.002","90","","2042.5","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquabis(1,10-phenanthroline)bis(μ~3~-5- sulfonatosalicylato)tricopper(II)] tetrahydrate]","","- C38 H34 Cu3 N4 O18 S2 -","- C38 H26 Cu3 N4 O18 S2 -","- C76 H52 Cu6 N8 O36 S4 -","2","0.5","HB6292","Fan, Sai-Rong; Zhu, Long-Guan","Poly[[diaquabis(1,10-phenanthroline)bis(μ~3~-5-sulfonatosalicylato)tricopper(II)] tetrahydrate]","Acta Crystallographica Section E","2005","61","12","m2556","m2558","10.1107/S1600536805036159","","","0.71073","MoKα","","0.081","0.051","","","0.109","0.116","","","","","","0.942","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"2207540","6.964","0.005","7.139","0.005","22.193","0.015","90","","90","","90","","1103.3","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(biguanido-κ^2^N,N')nickel(II) dihydrate","","- C4 H16 N10 Ni O2 -","- C4 H16 N10 Ni O2 -","- C16 H64 N40 Ni4 O8 -","4","0.5","HB6293","Su, Ying-Lan; Lu, Li-Ping; Zhu, Miao-Li","Bis(biguanido-κ^2^<i>N</i>,<i>N</i>')nickel(II) dihydrate","Acta Crystallographica Section E","2005","61","12","m2531","m2533","10.1107/S1600536805035944","","","0.71073","MoKα","","0.0541","0.0356","","","0.0813","0.0859","","","","","","0.886","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207541","9.445","0.003","16.72","0.005","13.474","0.004","90","","91.584","0.004","90","","2127","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorodiphenylbis(pyridine-κN)tin(IV)","","- C22 H20 Cl2 N2 Sn -","- C22 H20 Cl2 N2 Sn -","- C88 H80 Cl8 N8 Sn4 -","4","1","HB6294","Handong Yin; Shaowen Chen; Daqi Wang","Dichlorodiphenylbis(pyridine-κ<i>N</i>)tin(IV)","Acta Crystallographica Section E","2005","61","12","m2568","m2569","10.1107/S1600536805035956","","","0.71073","MoKα","","0.0987","0.0376","","","0.0763","0.1009","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207542","8.991","0.0018","10.475","0.002","11.441","0.002","93.72","0.03","97.55","0.03","111.96","0.03","983","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dimethylpyrazolium) bis(hydroxonium) β-octamolybdate(VI) diethanol solvate","","- C14 H36 Mo8 N4 O30 -","- C14 H36 Mo8 N4 O30 -","- C14 H36 Mo8 N4 O30 -","1","0.5","HB6295","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Bis(3,5-dimethylpyrazolium) bis(hydroxonium) β-octamolybdate(VI) ethanol disolvate","Acta Crystallographica Section E","2005","61","12","m2553","m2555","10.1107/S1600536805035968","","","0.71073","MoKα","","0.0277","0.0236","","","0.0603","0.0616","","","","","","1.103","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2207543","8.2088","0.0004","8.3132","0.0004","8.5259","0.0005","99.432","0.001","97.766","0.001","111.39","0.001","522.25","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(2-Acryloylaminophenyl)arsonic acid","","","- C9 H10 As N O4 -","- C9 H10 As N O4 -","- C18 H20 As2 N2 O8 -","2","1","HB6297","Herrera, Ana M.; García-Serrano, Jesús; Alvarado-Rodríguez, José A.; Rivas-Silva, José Francisco; Pal, Umapada","(2-Acryloylaminophenyl)arsonic acid","Acta Crystallographica Section E","2005","61","12","m2752","m2754","10.1107/S1600536805038857","","","0.71073","MoKα","","0.049","0.0382","","","0.0842","0.0882","","","","","","0.944","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2207544","9.1463","0.0005","10.7369","0.0006","10.9623","0.0007","113.685","0.001","93.418","0.001","95.906","0.001","974.58","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis[bis(4-aminopyridine-κN^1^)silver(I)] terephthalate decahydrate","","- C28 H48 Ag2 N8 O14 -","- C28 H48 Ag2 N8 O14 -","- C28 H48 Ag2 N8 O14 -","1","0.5","HB6298","Li, Yu-Guang; Zhu, Hai-Liang; Song, Yu; Ng, Seik Weng","Bis[bis(4-aminopyridine-κ<i>N</i>^1^)silver(I)] terephthalate decahydrate","Acta Crystallographica Section E","2005","61","12","m2564","m2565","10.1107/S160053680503597X","","","0.71073","MoKα","","0.036","0.032","","","0.095","0.109","","","","","","1.12","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2207545","8.964","0.002","11.174","0.003","22.689","0.006","90","","99.142","0.004","90","","2243.7","1","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[bis(tetrahydrofuran)lithium(I)]-μ-N-(2- isopropylphenyl)benzamidinato]","","- C24 H33 Li N2 O2 -","- C24 H33 Li N2 O2 -","- C96 H132 Li4 N8 O8 -","4","1","HB6300","Sheng-Di Bai; Jian-Ping Guo","<i>catena</i>-Poly[[bis(tetrahydrofuran)lithium(I)]-μ-<i>N</i>-(2-isopropylphenyl)benzamidinato]","Acta Crystallographica Section E","2005","61","12","m2726","m2727","10.1107/S1600536805038407","","","0.71073","MoKα","","0.0786","0.06","","","0.1372","0.1478","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207546","10.8602","0.0004","7.1828","0.0003","13.7933","0.0005","90","","101.584","0.002","90","","1054.05","0.07","299","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaaqua[μ-di-μ-oxo-bis(hydroxodioxoiodate)]dieuropium(III) bis(perchlorate) dihydrate","","- Cl Eu H9 I O13 -","- Cl Eu H I O13 -","- Cl4 Eu4 H4 I4 O52 -","4","1","HB6301","Andreas Fischer","Hexaaqua[μ-di-μ-oxo-bis(hydroxodioxoiodate)]dieuropium(III) bis(perchlorate) dihydrate","Acta Crystallographica Section E","2005","61","12","i262","i264","10.1107/S1600536805035737","","","0.5608","AgKα","","0.039","0.031","","","0.073","0.077","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207547","19.9","0.003","16.809","0.002","7.66","0.002","90","","106.23","0.02","90","","2460.2","0.8","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[N-[4-(1H-benzimidazol-3-yl)butyl]benzimidazolium [[diiodobismuthate(III)]-di-μ~2~-iodo]]","","- C18 H19 Bi I4 N4 -","- C18 H19 Bi I4 N4 -","- C72 H76 Bi4 I16 N16 -","4","0.5","HB6302","Niu, Yun-Yin; Zhang, Ning; Hou, Hong-Wei; Ng, Seik Weng","<i>catena</i>-Poly[<i>N</i>-[4-(1<i>H</i>-benzimidazol-3-yl)butyl]benzimidazolium [[diiodobismuthate(III)]-di-μ~2~-iodo]]","Acta Crystallographica Section E","2005","61","12","m2534","m2535","10.1107/S1600536805035804","","","0.71073","MoKα","","0.032","0.029","","","0.069","0.07","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207548","9.3325","0.0005","17.6438","0.0009","10.3499","0.0005","90","","90","","90","","1704.22","0.15","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","catena-Poly[[diiodocadmium(II)]-μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene- κN^4^:N^4'^]","","- C12 H12 Cd I2 N6 -","- C12 H12 Cd I2 N6 -","- C48 H48 Cd4 I8 N24 -","4","0.5","HB6303","Niu, Yun-Yin; Zhang, He-Li; Hou, Hong-Wei; Ng, Seik Weng","<i>catena</i>-Poly[[diiodocadmium(II)]-μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]","Acta Crystallographica Section E","2005","61","12","m2536","m2537","10.1107/S1600536805035816","","","0.71073","MoKα","","0.018","0.017","","","0.048","0.049","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207549","6.6435","0.0008","8.596","0.001","19.135","0.002","90","","90","","90","","1092.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cyclohexylammonium dichloroacetate","","- C8 H15 Cl2 N O2 -","- C8 H15 Cl2 N O2 -","- C32 H60 Cl8 N4 O8 -","4","1","HG6248","Jian-Ping Wang; Xi-Xing Cheng; Jian-Ge Wang; Qing-Hua Chen","Cyclohexylammonium dichloroacetate","Acta Crystallographica Section E","2005","61","12","o4006","o4007","10.1107/S1600536805035324","","","0.71073","MoKα","","0.0328","0.0298","","","0.0766","0.0784","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207550","6.28","0.0013","8.665","0.0017","13.709","0.003","105.41","0.03","99.37","0.03","92.7","0.03","706.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(triaquasodium) 2,5-dibenzoylterephthalate tetrahydrate","","- C22 H32 Na2 O16 -","- C22 H32 Na2 O16 -","- C22 H32 Na2 O16 -","1","0.5","HG6257","Wang, Dan-Dan; Zhu, Hong-Jun; Song, Guang-Liang; Wang, Jin-Tang","Bis(triaquasodium) 2,5-dibenzoylterephthalate tetrahydrate","Acta Crystallographica Section E","2005","61","12","m2610","m2612","10.1107/S1600536805036597","","","0.71073","MoKα","","0.0746","0.0564","","","0.1889","0.2046","","","","","","0.996","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207551","9.4528","0.0019","10.84","0.002","13.178","0.003","104.62","0.03","99.57","0.03","97.02","0.03","1269.2","0.5","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","2-(2-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato-κ^2^O^2^,O^6^)iron(III) trihydrate","","- C24 H21 Fe N4 O11 -","- C24 H21 Fe N4 O11 -","- C48 H42 Fe2 N8 O22 -","2","1","HG6258","Zhao Qi-Hua; Zhang, Mei-Su; Fang, Rui-Bing","2-(2-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato-κ^2^<i>O</i>^2^,<i>O</i>^6^)iron(III) trihydrate","Acta Crystallographica Section E","2005","61","12","m2575","m2577","10.1107/S1600536805036469","","","0.71073","MoKα","","0.0331","0.0294","","","0.0868","0.0892","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207552","12.66","0.003","9.801","0.001","23.462","0.005","90","","96.01","0.01","90","","2895.2","1","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","catena-Poly[trimethyltin(IV)-μ-3,4-dichlorophenylacetato]","","- C11 H14 Cl2 O2 Sn -","- C11 H14 Cl2 O2 Sn -","- C88 H112 Cl16 O16 Sn8 -","8","1","HG6259","Saeed, M. Adeel; Craig, D. C.; Badshah, Amin; Ali, Saqib; Rauf, M. Khawar","<i>catena</i>-Poly[trimethyltin(IV)-μ-3,4-dichlorophenylacetato]","Acta Crystallographica Section E","2005","61","12","m2595","m2597","10.1107/S160053680503638X","","","0.71073","MoKα","","","0.043","","","","0.055","","","","","","1.79","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207553","8.1343","0.0004","8.352","0.0004","19.306","0.0009","90","","92.615","0.001","90","","1310.24","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{μ-N-[bis(hydroxymethyl)(oxidomethyl)methyl]glycinato}[dimethyltin(IV)] dioxane hemisolvate","","- C18 H38 N2 O11 Sn2 -","- C18 H38 N2 O11 Sn2 -","- C36 H76 N4 O22 Sn4 -","2","0.5","HG6260","Fang, Xiao-Niu; Luo, Qiu-Yan; Zeng, Xi-Rui; Sui, Yan; Li, Xin-Fa","Bis{μ-<i>N</i>-[bis(hydroxymethyl)(oxidomethyl)methyl]glycinato}bis[dimethyltin(IV)] dioxane hemisolvate","Acta Crystallographica Section E","2005","61","12","m2604","m2606","10.1107/S1600536805036603","","","0.71073","MoKα","","0.0288","0.0272","","","0.0862","0.0878","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207554","24.151","0.01","6.503","0.003","12.39","0.005","90","","114.869","0.008","90","","1765.5","1.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N'-Bis[4-(dimethylamino)benzylidene]ethane-1,2-diamine","","- C20 H26 N4 -","- C20 H26 N4 -","- C80 H104 N16 -","4","0.5","HG6262","Hong-Qing Hao; Hui Zhang","<i>N</i>,<i>N</i>'-Bis[4-(dimethylamino)benzylidene]ethane-1,2-diamine","Acta Crystallographica Section E","2005","61","12","o4274","o4275","10.1107/S1600536805037384","","","0.71073","MoKα","","0.0961","0.0791","","","0.2162","0.2303","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207555","7.3401","0.0015","11.688","0.002","19.841","0.004","90","","90","","90","","1702.2","0.6","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alpha-Ferrocenyl-N-(1-phenylethyl)ethylamine","1-Ferrocenyl-N-(1-phenylethyl)ethylamine","","- C20 H23 Fe N -","- C20 H23 Fe N -","- C80 H92 Fe4 N4 -","4","1","HG6265","Qian, Heng-Yu; Cui, Xiu-Ling; Yin, Zhi-Gang","1-Ferrocenyl-<i>N</i>-(1-phenylethyl)ethylamine","Acta Crystallographica Section E","2005","61","12","m2641","m2642","10.1107/S1600536805037414","","","0.71073","MoKα","","0.0719","0.056","","","0.1233","0.1271","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207556","9.012","0.003","9.9","0.003","10.792","0.003","69.323","0.004","68.705","0.004","72.115","0.005","821.5","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","3-Methyl-1-p-tolyl-1H-pyrazol-5-yl 2-chlorobenzoate","","- C18 H15 Cl N2 O2 -","- C18 H15 Cl N2 O2 -","- C36 H30 Cl2 N4 O4 -","2","1","HG6266","Guo, Zhi-Xiong; Li, Jiang-Sheng; Fan, Mei-Lian","3-Methyl-1-<i>p</i>-tolyl-1<i>H</i>-pyrazol-5-yl 2-chlorobenzoate","Acta Crystallographica Section E","2005","61","12","o4080","o4081","10.1107/S160053680503641X","","","0.71073","MoKα","","0.0946","0.0449","","","0.1057","0.1323","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207557","8.5644","0.0014","9.4816","0.0016","11.7155","0.0019","79.093","0.003","73.925","0.003","75.318","0.003","877","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","5,5-Dimethyl-4-(3-nitrophenyl)-2-oxo-2-(2-pyridylamino)-1,3,2-dioxaphosphorinane","","- C16 H18 N3 O5 P -","- C16 H18 N3 O5 P -","- C32 H36 N6 O10 P2 -","2","1","HG6267","Yan Yu; Chang Liu; Xingyu Yang","5,5-Dimethyl-4-(3-nitrophenyl)-2-oxo-2-(2-pyridylamino)-1,3,2-dioxaphosphorinane","Acta Crystallographica Section E","2005","61","12","o4268","o4269","10.1107/S1600536805036627","","","0.71073","MoKα","","0.0597","0.0482","","","0.138","0.1612","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207558","16.844","0.002","7.308","0.0011","15.202","0.002","90","","104.964","0.002","90","","1807.8","0.4","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2-Methylbenzoyl)-3-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}urea","","- C18 H13 F3 N4 O2 S -","- C18 H13 F3 N4 O2 S -","- C72 H52 F12 N16 O8 S4 -","4","1","HG6269","Tan, Xiao-Hong; Zhang, Zheng-Wen; Wang, Sheng; Song, Xin-Jian; Wang, Yan-Gang","1-(2-Methylbenzoyl)-3-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}urea","Acta Crystallographica Section E","2005","61","12","o4212","o4214","10.1107/S160053680503761X","","","0.71073","MoKα","","0.0617","0.0492","","","0.1324","0.148","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207559","11.984","0.001","12.408","0.001","9.2792","0.0007","90","","102.74","0.01","90","","1345.82","0.19","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Fluoro-N-(quinolin-8-yl)benzenesulfonamide","","- C15 H11 F N2 O2 S -","- C15 H11 F N2 O2 S -","- C60 H44 F4 N8 O8 S4 -","4","1","HG6273","da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","4-Fluoro-<i>N</i>-(quinolin-8-yl)benzenesulfonamide","Acta Crystallographica Section E","2005","61","12","o4387","o4388","10.1107/S1600536805039188","","","1.5418","CuKα","","0.042","0.0349","","","0.0913","0.0961","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207560","6.875","0.0015","9.3471","0.0017","11.9198","0.0011","105.393","0.012","91.856","0.011","111.341","0.018","680.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Piperidinium picrate","","- C11 H14 N4 O7 -","- C11 H14 N4 O7 -","- C22 H28 N8 O14 -","2","1","HG6275","Kolandaivelu Saminathan; Chellamuthu Muthamizhchelvan; Kandasamy Sivakumar","Piperidinium picrate","Acta Crystallographica Section E","2005","61","12","o4379","o4381","10.1107/S1600536805039164","","","0.71073","MoKα","","0.0575","0.0403","","","0.1097","0.1212","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207561","14.94","0.004","8.262","0.002","13.236","0.004","90","","114.816","0.004","90","","1482.9","0.7","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,4'-Dihydroxy-5,5'-dimethoxy-3,3'-methylenedibenzaldehyde","","- C17 H16 O6 -","- C17 H16 O6 -","- C68 H64 O24 -","4","0.5","HK6055","Jiao, Gui-Li; Li, Xiao-Yan; Cao, Rui-Xia; Li, Min","6,6'-Dihydroxy-5,5'-dimethoxy-3,3'-methylenedibenzaldehyde","Acta Crystallographica Section E","2005","61","12","o4298","o4299","10.1107/S1600536805038146","","","0.71073","MoKα","","0.0833","0.04","","","0.1022","0.1254","","","","","","0.999","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207562","22.8042","0.0016","10.9268","0.0008","17.7465","0.0012","90","","125.562","0.001","90","","3597.3","0.4","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(4-Methylphenyl)-2-morpholinobenzo[4,5]furo[3,2-d]pyrimidin-4(3H)-one","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C168 H152 N24 O24 -","8","1","HK6056","Yong Sun; Yang-Gen Hu","3-(4-Methylphenyl)-2-morpholinobenzo[4,5]furo[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","12","o4233","o4235","10.1107/S1600536805037918","","","0.71073","MoKα","","0.073","0.0501","","","0.1222","0.132","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207563","6.2806","0.0008","9.9148","0.0012","13.6958","0.0016","90.813","0.01","97.042","0.01","108.051","0.009","803.53","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","","Methyl [6-amino-5-cyano-4-(4-methoxyphenyl)pyrano[2,3-c]pyrazol-3-yl]acetate","","- C17 H16 N4 O4 -","- C17 H16 N4 O4 -","- C34 H32 N8 O8 -","2","1","HK6057","Mehmet Akkurt; Sema Öztürk Yıldırım; Orhan Büyükgüngör; Edmont Stoyanov; Dieter Heber","Methyl [6-amino-5-cyano-4-(4-methoxyphenyl)pyrano[2,3-<i>c</i>]pyrazol-3-yl]acetate","Acta Crystallographica Section E","2005","61","12","o4206","o4208","10.1107/S1600536805037621","","","0.71073","MoKα","","0.0876","0.0553","","","0.1311","0.144","","","","","","1.026","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207564","7.275","0.002","17.27","0.006","15.342","0.005","90","","91.475","0.006","90","","1926.9","1.1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-Hydroxyethyl)-13c-methoxy-1-oxo-1,13c- dihydrodibenzo[a,kl]xanthene-2-carboxamide","","- C24 H19 N O5 -","- C24 H19 N O5 -","- C96 H76 N4 O20 -","4","1","HK6058","Xiu-Zhen Wang; Zun-Le Xu; Dong-Sheng Deng; Zhao-Xuen Lian","<i>N</i>-(2-Hydroxyethyl)-13c-methoxy-1-oxo-1,13c-dihydrodibenzo[<i>a</i>,<i>kl</i>]xanthene-2-carboxamide","Acta Crystallographica Section E","2005","61","12","o4353","o4354","10.1107/S1600536805038468","","","0.71073","MoKα","","0.0539","0.0372","","","0.0957","0.1075","","","","","","1.023","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207565","13.9064","0.0009","8.7793","0.0006","17.4342","0.0012","90","","101.143","0.001","90","","2088.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1-benzoylethyl 4-ethylbenzoate","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","HK6059","Jun Wan; Zheng-Zhong Peng; Xue-Mei Li; Shu-Sheng Zhang","2-(1<i>H</i>-1,2,3-Benzotriazol-1-ylmethyl)-1-benzoylethyl 4-ethylbenzoate","Acta Crystallographica Section E","2005","61","12","o4218","o4219","10.1107/S1600536805037402","","","0.71073","MoKα","","0.0675","0.0509","","","0.1392","0.1534","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207566","5.6966","0.0014","16.098","0.004","7.4113","0.0018","90","","100.309","0.004","90","","668.7","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-[2-(3-Formylphenoxy)ethoxy]benzaldehyde","","- C16 H14 O4 -","- C16 H14 O4 -","- C32 H28 O8 -","2","0.5","HK6060","Han, Jian-Rong; Zhen, Xiao-Li","3-[2-(3-Formylphenoxy)ethoxy]benzaldehyde","Acta Crystallographica Section E","2005","61","12","o4250","o4251","10.1107/S1600536805038080","","","0.71073","MoKα","","0.0724","0.0428","","","0.1077","0.1299","","","","","","0.997","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207567","14.005","0.003","15.339","0.003","6.437","0.001","90","","90","","90","","1382.8","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Aquadichlorobis(2-chloropyridine-κN)copper(II)","","- C10 H10 Cl4 Cu N2 O -","- C10 H10 Cl4 Cu N2 O -","- C40 H40 Cl16 Cu4 N8 O4 -","4","0.5","IS6138","Zhi-Min Jin; Zu-Guang Li; Bing Tu; Zhen-Lu Shen; Mao-Lin Hu","Aquadichlorobis(2-chloropyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2005","61","12","m2566","m2567","10.1107/S1600536805036019","","","0.71073","MoKα","","0.0484","0.0285","","","0.0551","0.0579","","","","","","0.968","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207568","10.019","0.002","12.952","0.003","14.798","0.003","90","","106.56","0.03","90","","1840.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[μ~2~-1,4-Bis(ethylthio)butane-S,S']dibromomercury(II)","","- C4 H9 Br2 Hg S -","- C4 H9 Br2 Hg S -","- C32 H72 Br16 Hg8 S8 -","8","1","IS6139","Liu, Chun-Bo; Che, Guang-Bo; Cui, Yun-Cheng; Li, Chuan-Bi","Poly[[μ-1,4-bis(ethylsulfanyl)butane-κ^2^<i>S</i>,<i>S</i>']di-μ-bromo-mercury(II)]","Acta Crystallographica Section E","2005","61","12","m2469","m2470","10.1107/S1600536805035348","","","0.71073","MoKα","","0.0466","0.0343","","","0.078","0.082","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207569","8.8011","0.0002","19.831","0.0004","7.0073","0.0001","90","","93.783","0.001","90","","1220.35","0.04","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-Bis(2-hydroxyethyl)-4- oxahexacyclo[5.4.1.0^2,6^.0^3,10^.0^5,9^.0^8,11^]dodecane","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","IS6141","Kruger, Hendrik G.; Rademeyer, Melanie; Ramdhani, Reshika","3,5-Bis(2-hydroxyethyl)-4-oxahexacyclo[5.4.1.0^2,6^.0^3,10^.0^5,9^.0^8,11^]dodecane","Acta Crystallographica Section E","2005","61","12","o3968","o3970","10.1107/S1600536805034732","","","0.71073","MoKα","","0.0637","0.0487","","","0.1258","0.1362","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207570","5.0364","0.0013","16.716","0.004","23.04","0.006","90","","90","","90","","1939.7","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[3-(4-Methoxybenzoyl)thiouredo]-3-phenylpropionic acid methanol solvate","","- C19 H22 N2 O5 S -","- C19 H22 N2 O5 S -","- C76 H88 N8 O20 S4 -","4","1","IS6142","Ngah, Nurziana; Jusoh, Asmizar; Yamin, Bohari M.","2-[3-(4-Methoxybenzoyl)thioureido]-3-phenylpropionic acid methanol solvate","Acta Crystallographica Section E","2005","61","12","o4307","o4309","10.1107/S1600536805035427","","","0.71073","MoKα","","0.092","0.079","","","0.133","0.137","","","","","","1.33","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207571","8.1925","0.0003","8.1925","0.0003","35.462","0.003","90","","90","","90","","2380.1","0.2","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2-(2H-Benzotriazol-2-yl)-1-phenylethanone","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","IS6143","Shi-Ying Wang; Jun Wan; Bo Yang; Xue-Mei Li; Shu-Sheng Zhang","2-(2<i>H</i>-Benzotriazol-2-yl)-1-phenylethanone","Acta Crystallographica Section E","2005","61","12","o4056","o4057","10.1107/S1600536805036020","","","0.71073","MoKα","","0.0508","0.042","","","0.0936","0.0975","","","","","","1.197","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207572","16.403","0.0013","10.3467","0.0005","11.4251","0.0009","90","","100.052","0.006","90","","1909.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}- 2-methoxy-4-{(E)-[3-(trifluoromethyl)phenyl]diazenyl}cyclohexa-2,4-dienone","","- C19 H20 F3 N3 O5 -","- C19 H20 F3 N3 O5 -","- C76 H80 F12 N12 O20 -","4","1","IS6144","Ersanlı, Cem Cüneyt; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Kazak, Canan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy-4-{(<i>E</i>)-[3-(trifluoromethyl)phenyl]diazenyl}cyclohexa-2,4-dienone","Acta Crystallographica Section E","2005","61","12","o4051","o4053","10.1107/S1600536805035415","","","0.71073","MoKα","","0.044","0.033","","","0.082","0.086","","","","","","1.04","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2207573","9.842","0.0016","12.501","0.002","17.696","0.003","80.269","0.003","81.207","0.003","76.412","0.003","2071.2","0.6","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","9-(2-pyridylmethyl)carbazole","","- C18 H14 N2 -","- C18 H14 N2 -","- C108 H84 N12 -","6","3","IS6145","Wang, Lei; Li, Jiang-Sheng; Zhao, Guang-Le; Huang, Peng-Mian; Zeng, Tao","9-(2-Pyridylmethyl)carbazole","Acta Crystallographica Section E","2005","61","12","o4060","o4061","10.1107/S1600536805036196","","","0.71073","MoKα","","0.0957","0.0453","","","0.1028","0.1312","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207574","10.5668","0.0009","17.8266","0.0015","14.9814","0.0013","90","","104.734","0.001","90","","2729.3","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N'-(2,4-Dichlorobenzylidene)benzohydrazide","","- C14 H10 Cl2 N2 O -","- C14 H10 Cl2 N2 O -","- C112 H80 Cl16 N16 O8 -","8","2","IS6146","Jing, Zuo-Liang; Wang, Xue-Yuan; Chen, Xin; Deng, Qi-Liang","<i>N</i>'-(2,4-Dichlorobenzylidene)benzohydrazide","Acta Crystallographica Section E","2005","61","12","o4316","o4317","10.1107/S1600536805038420","","","0.71073","MoKα","","0.0791","0.0436","","","0.1025","0.1153","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207575","11.7686","0.001","13.4861","0.0011","11.2137","0.001","90","","112.552","0.002","90","","1643.7","0.2","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Aminophenyl)-2-methylsulfanyl-5,6,7,8- tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-one","","- C17 H17 N3 O S2 -","- C17 H17 N3 O S2 -","- C68 H68 N12 O4 S8 -","4","1","IS6148","Zeng, Xiao-Hua; Wang, Hong-Mei; Luo, Zai-Gang; Ding, Ming-Wu; He, Hong-Wu","3-(2-Aminophenyl)-2-methylsulfanyl-5,6,7,8-tetrahydrobenzothieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","12","o4160","o4161","10.1107/S1600536805037025","","","0.71073","MoKα","","0.1097","0.0605","","","0.1334","0.155","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207576","26.462","0.015","9.566","0.006","16.159","0.009","90","","115.155","0.006","90","","3702","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 2-oxopropyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate","","- C19 H20 N2 O7 -","- C19 H20 N2 O7 -","- C152 H160 N16 O56 -","8","1","IS6149","Xue-Yuan Wang; Ming-Jie Zhang; Xiang-Qian Wang; Yu-Min Nie","Acetonyl methyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2005","61","12","o4287","o4288","10.1107/S1600536805038456","","","0.71073","MoKα","","0.0588","0.0415","","","0.109","0.1184","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207577","6.1848","0.0016","14.685","0.005","19.097","0.005","90","","95.439","0.01","90","","1726.7","0.9","296","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionohydrazide","","- C17 H28 N2 O2 -","- C17 H28 N2 O2 -","- C68 H112 N8 O8 -","4","1","IS6150","Xu, Wei-Ming; Hu, Xiu-Rong; Gu, Jian-Ming","3-(3,5-Di-<i>tert</i>-butyl-4-hydroxyphenyl)propionohydrazide","Acta Crystallographica Section E","2005","61","12","o4190","o4191","10.1107/S1600536805037426","","","0.71075","MoKα","","","0.0412","","","","0.0842","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207578","8.7109","0.0014","10.8764","0.0017","11.251","0.0018","106.481","0.003","90.471","0.003","100.828","0.003","1001.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[N-(2-Ethoxyphenyl)carbamoylmethoxy]-N-(2-pyridylmethyl)benzamide","","- C23 H23 N3 O4 -","- C23 H23 N3 O4 -","- C46 H46 N6 O8 -","2","1","IS6157","Yong-Hong Wen; Xue-Mei Li; Shu-Sheng Zhang; Mao-Jie Li","2-[<i>N</i>-(2-Ethoxyphenyl)carbamoylmethoxy]-<i>N</i>-(2-pyridylmethyl)benzamide","Acta Crystallographica Section E","2005","61","12","o4333","o4335","10.1107/S1600536805038614","","","0.71073","MoKα","","0.0685","0.0516","","","0.1104","0.1205","","","","","","1.072","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207579","21.3","0.008","7.756","0.003","15.227","0.006","90","","90","","90","","2515.5","1.7","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-Acetylphenyl phenyl sulfone","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C112 H96 O24 S8 -","8","1","JH6019","Guo, Shengrong; Yuan, Yanqin","4-Acetylphenyl phenyl sulfone","Acta Crystallographica Section E","2005","61","12","o4032","o4033","10.1107/S1600536805034252","","","0.71073","MoKα","","0.0489","0.0445","","","0.1157","0.1194","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207580","9.842","0.003","15.29","0.005","19.434","0.006","90","","90","","90","","2924.5","1.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-[2-(Aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxo-4H-thieno[2,3-b]thiopyran- 4-yl]acetamide","","- C10 H14 N2 O5 S3 -","- C10 H14 N2 O5 S3 -","- C80 H112 N16 O40 S24 -","8","1","JH6024","Zhen-Guang Zou; Peng Guo; Yin-Xiang Lu","<i>N</i>-[2-(Aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxo-4<i>H</i>-thieno[2,3-<i>b</i>]thiopyran-4-yl]acetamide","Acta Crystallographica Section E","2005","61","12","o4096","o4098","10.1107/S1600536805036718","","","0.71073","MoKα","","0.0749","0.0393","","","0.1053","0.1135","","","","","","0.959","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207581","12.1518","0.0014","7.2055","0.0005","15.6894","0.0014","90","","90.212","0.008","90","","1373.8","0.2","122","1","122","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trichloro(tmtacn)chromium(III)","Trichloro(1,4,7-trimethyl-1,4,7-triazacyclononane)chromium(III)","","- C9 H21 Cl3 Cr N3 -","- C9 H21 Cl3 Cr N3 -","- C36 H84 Cl12 Cr4 N12 -","4","1","JH6025","Klitgaard, Søren Kegnaes; Magnussen, Magnus","Trichloro(1,4,7-trimethyl-1,4,7-triazacyclononane)chromium(III)","Acta Crystallographica Section E","2005","61","12","m2616","m2617","10.1107/S1600536805037086","","","0.71073","MoKα","","0.0444","0.0274","","","0.0547","0.0603","","","","","","1.124","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207582","10.7801","0.0008","12.7006","0.0009","12.1039","0.0009","90","","96.973","0.001","90","","1644.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]- 4-(trifluoromethylsulfanyl)-1H-pyrazole-3-carbonitrile","","- C12 H4 Cl2 F6 N4 S -","- C12 H4 Cl2 F6 N4 S -","- C48 H16 Cl8 F24 N16 S4 -","4","1","KP6064","Tang, Riyuan; Zhong, Ping; Lin, Qiulian; Hu, Maolin; Shi, Qian","5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","12","o4374","o4375","10.1107/S1600536805039280","","","0.71073","MoKα","","0.0527","0.0471","","","0.1099","0.1135","","","","","","1.098","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207583","14.992","0.003","5.002","0.0011","21.237","0.004","90","","93.375","0.004","90","","1589.8","0.6","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-1-phenyl-3-(3,4,5-trimethoxylphenyl)propan-1-one","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","KP6066","Zhifang Yu; Zhimin Zhao; Bing Zhao; Jianwei Sun","3-Hydroxy-1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-1-one","Acta Crystallographica Section E","2005","61","12","o4075","o4076","10.1107/S160053680503610X","","","0.71073","MoKα","","0.0927","0.0455","","","0.1017","0.1201","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207584","9.5843","0.0005","17.8784","0.0009","10.6912","0.0006","90","","93.094","0.001","90","","1829.29","0.17","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[aqua(2,2'-bipyridine)copper(II)]-μ-3-sulfonatobenzoato] monohydrate]","","- C17 H16 Cu N2 O7 S -","- C17 H16 Cu N2 O7 S -","- C68 H64 Cu4 N8 O28 S4 -","4","1","KP6068","Miao, Xiao-He; Xiao, Hong-Ping; Zhu, Long-Guan","<i>catena</i>-Poly[[[aqua(2,2'-bipyridine)copper(II)]-μ-3-sulfonatobenzoato] monohydrate]","Acta Crystallographica Section E","2005","61","12","m2561","m2563","10.1107/S1600536805036184","","","0.71073","MoKα","","0.036","0.032","","","0.083","0.085","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207585","11.084","0.004","15.12","0.005","8.133","0.003","90","","109.77","0.03","90","","1282.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 1-acetonyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","KP6069","Shishkina, Svetlana V.; Shishkin, Oleg V.; Ukrainets, Igor V.; Sidorenko, Lyudmila V.","Methyl 1-acetonyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2005","61","12","o4180","o4182","10.1107/S1600536805037463","","","0.71073","MoKα","","0.2255","0.0489","","","0.1028","0.1384","","","","","","0.876","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207586","12.408","0.001","6.4174","0.0006","15.004","0.002","90","","90","","90","","1194.7","0.2","291","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Di-4-pyridylbutane-2,3-diol","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","0.5","LH2001","Niu, Yun-Yin; Liu, Xiu-Cun; Zain, Sharifuddin M.; Ng, Seik Weng","2,3-Di-4-pyridylbutane-2,3-diol","Acta Crystallographica Section E","2005","61","12","o4303","o4304","10.1107/S1600536805038250","","","0.71073","MoKα","","0.054","0.037","","","0.091","0.103","","","","","","1.02","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207587","6.2189","0.0012","6.4643","0.0013","12.79","0.003","90","","101.8","0.03","90","","503.3","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(Aminocarbonyl)ethylammonium hydrogensquarate monohydrate","","- C7 H12 N2 O6 -","- C7 H12 N2 O6 -","- C14 H24 N4 O12 -","2","1","LH6527","Tsonko Kolev; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","1-(Aminocarbonyl)ethylammonium hydrogensquarate monohydrate","Acta Crystallographica Section E","2005","61","12","o4292","o4294","10.1107/S1600536805038079","","","0.71073","MoKα","","0.0687","0.0493","","","0.1218","0.1344","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207588","8.395","0.001","10.055","0.001","13.157","0.002","89.336","0.002","82.842","0.002","72.231","0.001","1049","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ~2~-3-hydroxypyridine-2-carboxylato-κ^2^O,N)di-μ~3~oxo- tetrakis[dimethyltin(IV)]","","- C32 H40 N4 O14 Sn4 -","- C32 H40 N4 O14 Sn4 -","- C32 H40 N4 O14 Sn4 -","1","0.5","LH6528","Tian, Guang-Ru; Zhang, Ru-Fen; Ma, Chun-Lin; Ng, Seik Weng","Tetrakis(μ~2~-3-hydroxypyridine-2-carboxylato-κ^2^<i>O</i>,<i>N</i>)di-μ~3~oxo-tetrakis[dimethyltin(IV)]","Acta Crystallographica Section E","2005","61","12","m2528","m2530","10.1107/S1600536805035907","","","0.71073","MoKα","","0.056","0.037","","","0.096","0.114","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207589","5.8324","0.0004","9.1911","0.0006","23.042","0.002","90","","90","","90","","1235.19","0.16","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-2-[(2-morpholinoethylimino)methyl]phenol","","- C13 H18 N2 O2 -","- C13 H18 N2 O2 -","- C52 H72 N8 O8 -","4","1","LH6532","Petek, Hande; Albayrak, Çiğdem; Nazan Ocak İskeleli; Ağar, Erbil; Şenel, İsmet","(<i>E</i>)-2-[(2-Morpholinoethylimino)methyl]phenol","Acta Crystallographica Section E","2005","61","12","o3990","o3991","10.1107/S1600536805034847","","","0.71073","MoKα","","0.0346","0.0323","","","0.0842","0.0853","","","","","","1.122","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207590","20.337","0.003","4.571","0.0006","18.456","0.003","90","","90","","90","","1715.7","0.4","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3,6-Dibromo-9-hexyl-9H-carbazole","","- C18 H19 Br2 N -","- C18 H19 Br2 N -","- C72 H76 Br8 N4 -","4","1","LH6533","Duan, Xue-Min; Huang, Peng-Mian; Li, Jiang-sheng; Zheng, Peng-Wu; Zeng, Tao","3,6-Dibromo-9-hexyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2005","61","12","o3977","o3978","10.1107/S1600536805035282","","","0.71073","MoKα","","0.0937","0.0465","","","0.1014","0.1174","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207591","7.828","0.002","7.261","0.002","16.445","0.004","90","","94.499","0.005","90","","931.8","0.4","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[4-(5-Formyl-2-methoxyphenoxy)butoxy]-4-methoxybenzaldehyde","","- C20 H22 O6 -","- C20 H22 O6 -","- C40 H44 O12 -","2","0.5","LH6534","Han, Jian-Rong; Zhen, Xiao-Li","3-[4-(5-Formyl-2-methoxyphenoxy)butoxy]-4-methoxybenzaldehyde","Acta Crystallographica Section E","2005","61","12","o4049","o4050","10.1107/S1600536805036135","","","0.71073","MoKα","","0.0971","0.049","","","0.1134","0.1308","","","","","","1.138","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207592","9.9452","0.0007","11.6962","0.0009","12.7037","0.0009","90.48","0.003","102.645","0.003","102.501","0.002","1405.27","0.18","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","2-Phenyl-3-[6-(3-phenylquinoxalin-2-yl)dibenzo[b,d]thiophen-3-yl]quinoxaline","","- C40 H24 N4 S -","- C40 H24 N4 S -","- C80 H48 N8 S2 -","2","1","LH6536","Huang, Tai-Hsiang; Whang, Wha-Tzong; Wen, Yuh-Sheng; Lin, Jiann T.","2-Phenyl-3-[6-(3-phenylquinoxalin-2-yl)dibenzo[<i>b</i>,<i>d</i>]thiophen-3-yl]quinoxaline","Acta Crystallographica Section E","2005","61","12","o4236","o4237","10.1107/S1600536805037700","","","0.71073","MoKα","","0.0886","0.0593","","","0.1692","0.1785","","","","","","1.092","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207593","9.3023","0.0002","25.5447","0.0007","10.3794","0.0002","90","","113.766","0.0013","90","","2257.25","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Methyl-4-(4-nitrophenyl)-1-phenyl-1,7-dihydro-6H- pyrazolo[3,4-b]thiazolo[5,4-e]pyridine-6- thione‒dimethylformamide (1/1)","","- C23 H20 N6 O3 S2 -","- C23 H20 N6 O3 S2 -","- C92 H80 N24 O12 S8 -","4","1","LH6537","Delgado, Paula; Cruz, Silvia; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-Methyl-4-(4-nitrophenyl)-1-phenyl-1,7-dihydro-6<i>H</i>-pyrazolo[3,4-<i>b</i>]thiazolo[5,4-<i>e</i>]pyridine-6-thione‒dimethylformamide (1/1)","Acta Crystallographica Section E","2005","61","12","o3998","o4000","10.1107/S1600536805035270","","","0.71073","MoKα","","0.0682","0.0509","","","0.1302","0.1409","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207594","9.5296","0.0017","13.411","0.003","28.434","0.005","90","","94.443","0.004","90","","3623","1.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-Di-tert-butyl-4-(isopropylaminomethyl)phenol","","- C18 H31 N O -","- C18 H31 N O -","- C144 H248 N8 O8 -","8","2","LH6538","Xue-Gui Shu; Zeng, Tao; Chen, Li-Gong; Yan, Fan-Yong; Zhang, Yue-Cheng","2,6-Di-<i>tert</i>-butyl-4-(isopropylaminomethyl)phenol","Acta Crystallographica Section E","2005","61","12","o4192","o4194","10.1107/S160053680503727X","","","0.71073","MoKα","","0.1794","0.0555","","","0.1156","0.1664","","","","","","0.986","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207595","9.691","0.003","5.2631","0.0017","17.297","0.006","90","","90.752","0.005","90","","882.2","0.5","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Ethyl L-glutamate","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C28 H52 N4 O16 -","4","2","LH6541","Wu, Yong-Fei; Xiao Fengping; Jin, Long-Fei; Li, Fen-Fang; Dai, Xu-Ya","5-Ethyl <small>L</small>-glutamate","Acta Crystallographica Section E","2005","61","12","o4028","o4029","10.1107/S1600536805035919","","","0.71073","MoKα","","0.0748","0.0602","","","0.1636","0.1778","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207596","8.26","0.001","9.706","0.001","7.77","0.001","90","","117.45","0.01","90","","552.8","0.12","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","","Dimethyl dipropargylmalonate","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","LH6542","Bolte, Michael; Naumann, Frank; Hashmi, A. Stephen K.","Dimethyl dipropargylmalonate","Acta Crystallographica Section E","2005","61","12","o4025","o4027","10.1107/S1600536805035890","","","0.71073","MoKα","","0.0302","0.0278","","","0.0765","0.0776","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207597","10.7715","0.001","5.4301","0.0005","12.9139","0.0012","90","","119.58","0.007","90","","656.89","0.11","295","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","2-Carboxypyridinium hydrogen chloranilate","","- C12 H7 Cl2 N O6 -","- C12 H7 Cl2 N O6 -","- C24 H14 Cl4 N2 O12 -","2","1","LH6547","Tabuchi, Youhei; Takahashi, Akiko; Gotoh, Kazuma; Akashi, Haruo; Ishida, Hiroyuki","2-Carboxypyridinium hydrogen chloranilate","Acta Crystallographica Section E","2005","61","12","o4215","o4217","10.1107/S1600536805037591","","","0.71073","MoKα","","0.0384","0.0311","","","0.0693","0.0717","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207598","18.252","0.002","17.012","0.002","16.073","0.002","90","","103.686","0.003","90","","4849","1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3,4,4,5,5-Hexafluoro-1,2-bis(3-methyl-5-phenyl-2-thienyl)cyclopent-1-ene","","- C27 H18 F6 S2 -","- C27 H18 F6 S2 -","- C216 H144 F48 S16 -","8","2","LH6548","Pu, Shou-Zhi; Fan, Cong-Bin; Chen, Bing; Wang, Ru-Ji; Xu, Jing-Kun","3,3,4,4,5,5-Hexafluoro-1,2-bis(3-methyl-5-phenyl-2-thienyl)cyclopent-1-ene, a new photochromic diarylethene compound","Acta Crystallographica Section E","2005","61","12","o4369","o4371","10.1107/S1600536805038845","","","0.71073","MoKα","","0.1347","0.0515","","","0.1146","0.1533","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207599","13.6038","0.0009","13.9457","0.0009","7.1524","0.0007","90","","103.031","0.001","90","","1321.97","0.18","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[4,4'-bipyridinium(+) [argentate(I)-di-μ-iodo]]","","- C10 H9 Ag I2 N2 -","- C10 H9 Ag I2 N2 -","- C40 H36 Ag4 I8 N8 -","4","0.5","LH6550","Niu, Yun-Yin; Ye, E.; Zhang, Hong-Yun; Hou, Hong-Wei; Ng, Seik Weng","<i>catena</i>-Poly[4,4'-bipyridinium(+) [argentate(I)-di-μ-iodo]]","Acta Crystallographica Section E","2005","61","12","m2736","m2737","10.1107/S1600536805039012","","","0.71073","MoKα","","0.043","0.041","","","0.116","0.117","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207600","15.8573","0.0008","20.0393","0.0013","20.0147","0.001","90","","110.436","0.004","90","","5959.8","0.6","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrapentoxycalix[4]arene","","- C64 H96 O4 -","- C64 H96 O4 -","- C256 H384 O16 -","4","1","LH6555","Brusko, Vasiliy; Böhmer, Volker; Bolte, Michael","5,11,17,23-Tetra-<i>tert</i>-butyl-25,26,27,28-tetrapentoxycalix[4]arene","Acta Crystallographica Section E","2005","61","12","o4272","o4273","10.1107/S1600536805038067","","","0.71073","MoKα","","0.074","0.0501","","","0.1361","0.1479","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207601","6.6287","0.0004","26.629","0.002","10.0073","0.0006","90","","104.655","0.001","90","","1708.98","0.19","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[sesqui(1,2-ethanediammonium) [[aqua(sulfato-κO)cerate(III)]-di-μ-sulfato-κ^3^O,O':O'';κ^4^O,O':O'',O'''] dihydrate]","","- C3 H21 Ce N3 O15 S3 -","- C3 H21 Ce N3 O15 S3 -","- C12 H84 Ce4 N12 O60 S12 -","4","1","LH6556","Fu, Yun-Long; Ren, Jia-Lin; Xu, Zhi-Wei; Ng, Seik Weng","<i>catena</i>-Poly[sesqui(1,2-ethanediammonium) [[aqua(sulfato-κ<i>O</i>)cerate(III)]-di-μ-sulfato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'';κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] dihydrate]","Acta Crystallographica Section E","2005","61","12","m2738","m2740","10.1107/S1600536805039024","","","0.71073","MoKα","","0.039","0.03","","","0.067","0.071","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207602","10.6785","0.0006","13.3996","0.0008","16.1443","0.0009","106.334","0.001","96.64","0.001","109.95","0.001","2025.6","0.2","292","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis{4-methyl-N-[(Z)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4- ylidene)(phenyl)methyl]anilinato-κ^2^N,O}cobalt(II)","","- C48 H40 Co N6 O2 -","- C48 H40 Co N6 O2 -","- C96 H80 Co2 N12 O4 -","2","1","LH6557","Ma, Rong-Ming; Sun, Shao-Fa; Ng, Seik Weng","Bis{4-methyl-<i>N</i>-[(<i>Z</i>)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)(phenyl)methyl]anilinato-κ^2^<i>N</i>,<i>O</i>}cobalt(II)","Acta Crystallographica Section E","2005","61","12","m2741","m2742","10.1107/S1600536805039139","","","0.71073","MoKα","","0.089","0.064","","","0.165","0.182","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207603","8.731","0.0005","12.7348","0.0005","17.2366","0.001","90","","99.44","0.005","90","","1890.54","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,4,7,7-Pentamethyldiethylenetriammonium bis(hexafluorophosphate)","","- C9 H25 F12 N3 P2 -","- C9 H25 F12 N3 P2 -","- C36 H100 F48 N12 P8 -","4","1","LH6562","Morawitz, Thorsten; Lerner, Hans-Wolfram; Bru Roig, Miriam; Bolte, Michael","1,1,4,7,7-Pentamethyldiethylenetriammonium bis(hexafluorophosphate)","Acta Crystallographica Section E","2005","61","12","o4367","o4368","10.1107/S1600536805039140","","","0.71073","MoKα","","0.0404","0.0389","","","0.1039","0.1052","","","","","","1.108","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207604","6.5532","0.0006","7.594","0.001","11.026","0.001","87.773","0.003","73.715","0.002","79.578","0.004","517.96","0.1","295","1","","","","","","","","","","4","P -1","-P 1","2","","6-Bromo-3-(2-methylpropenyl)imidazo[1,2-a]pyridine","","- C11 H11 Br N2 -","- C11 H11 Br N2 -","- C22 H22 Br2 N4 -","2","1","NC6047","Rui Zhang; Yongzhou Hu","6-Bromo-3-(2-methylpropenyl)imidazo[1,2-<i>a</i>]pyridine","Acta Crystallographica Section E","2005","61","12","o4037","o4038","10.1107/S1600536805035634","","","0.7107","MoKα","","","0.038","","","","0.114","","","","","","1.009","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207605","10.2935","0.0006","10.906","0.0006","15.409","0.0007","90","","98.562","0.004","90","","1710.55","0.16","298","1","298","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","α-benzyldibenzoylmethane","2-benzyl-1,3-diphenylpropane-1,3-dione","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","NC6049","Nenad Judaš; Branko Kaitner","2-Benzyl-1,3-diphenylpropane-1,3-dione","Acta Crystallographica Section E","2005","61","12","o4008","o4010","10.1107/S1600536805035476","","","0.71073","MoKα","","0.0742","0.0512","","","0.1379","0.152","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207606","6.002","0.003","8.822","0.005","29.339","0.015","90","","90","","90","","1553.5","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4F","1,1-dibenzoyl-3,3-dimethylurea","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","NC6050","Blewett, Gavin; Esterhuysen, Catharine; Bredenkamp, Martin W.; Koch, Klaus R.","1,1-Dibenzoyl-3,3-dimethylurea","Acta Crystallographica Section E","2005","61","12","o4042","o4044","10.1107/S1600536805035786","","","0.71073","MoKα","","0.0624","0.0483","","","0.0998","0.1052","","","","","","1.151","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207607","9.7257","0.0011","16.6879","0.0017","7.6056","0.0011","90","","90","","90","","1234.4","0.3","295","2","295","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1H-benzimidazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","NC6052","Sławomir Krawczyk; Maria Gdaniec","Polymorph β of 1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2005","61","12","o4116","o4118","10.1107/S1600536805036536","","","0.71073","MoKα","","0.0744","0.0531","","","0.1067","0.116","","","","","","1.174","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207608","36.113","0.005","6.8124","0.0009","15.931","0.002","90","","105.504","0.002","90","","3776.7","0.9","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Hydroxy-3-methoxyphenyl)-1-phenethyl-1,2-dihydroquinazolin-4(3H)-one","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C184 H176 N16 O24 -","8","1","NC6055","G. Y. S. K. Swamy; K. Ravikumar","2-(4-Hydroxy-3-methoxyphenyl)-1-phenethyl-1,2-dihydroquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","12","o4238","o4240","10.1107/S1600536805037979","","","0.71073","MoKα","","0.1115","0.0581","","","0.1587","0.1926","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207609","13.245","0.003","7.223","0.002","7.649","0.002","90","","122.66","0.01","90","","616.1","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Zinc acetylenedicarboxylate dihydrate","Poly[diaqua-μ~4~-acetylenedicarboxylato-zinc(II)]","","- C4 H4 O6 Zn -","- C4 H4 O6 Zn -","- C16 H16 O24 Zn4 -","4","0.5","NC6056","Stein, Irena; Ruschewitz, Uwe","Poly[diaqua-μ~4~-acetylenedicarboxylato-zinc(II)]","Acta Crystallographica Section E","2005","61","12","m2680","m2682","10.1107/S1600536805037797","","","0.71073","MoKα","","0.0832","0.0416","","","0.0795","0.0912","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207610","5.5894","0.0018","14.444","0.005","7.013","0.004","90","","108.56","0.03","90","","536.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Hydroxyethyl)-4H-1,2,4-triazole","","- C4 H7 N3 O -","- C4 H7 N3 O -","- C16 H28 N12 O4 -","4","1","NC6057","Martin U. Schmidt; Chunhua Hu; Jan W. Bats; Jens Kühne","4-(2-Hydroxyethyl)-4<i>H</i>-1,2,4-triazole, an intermediate in the synthesis of iron‒triazole spin-crossover compounds","Acta Crystallographica Section E","2005","61","12","o4343","o4344","10.1107/S1600536805038511","","","0.71073","MoKα","","0.0658","0.0408","","","0.0881","0.1002","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207611","9.6835","0.0016","5.2925","0.0013","12.823","0.002","90","","106.47","0.015","90","","630.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-(+)-3-Chloro-1-(4-morpholino-5-nitro-1H-imidazol-1-yl)propan-2-ol","","- C10 H15 Cl N4 O4 -","- C10 H15 Cl N4 O4 -","- C20 H30 Cl2 N8 O8 -","2","1","NC6059","Gzella, Andrzej; Zwawiak, Justyna; Zaprutko, Lucjusz","(<i>R</i>)-(+)-3-Chlor-1-(4-morpholino-5-nitro-1<i>H</i>-imidazol-1-yl)propan-2-ol","Acta Crystallographica Section E","2005","61","12","o4071","o4072","10.1107/S1600536805036275","","","1.54178","CuKα","","0.0292","0.0267","","","0.0738","0.0756","","","","","","1.034","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207612","13.88","0.003","9.86","0.005","17.962","0.004","90","","95.42","0.01","90","","2447.2","1.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dinitratodioxo[3-(triphenylphosphonio)propionato]uranium(VI)","","- C21 H19 N2 O10 P U -","- C21 H19 N2 O10 P U -","- C84 H76 N8 O40 P4 U4 -","4","1","NG6220","Yang, Lin; Jiang, Ning-Yi; Chen, Xue-Hui; Li, Song-Lin","Dinitratodioxo[3-(triphenylphosphonio)propionato]uranium(VI)","Acta Crystallographica Section E","2005","61","12","m2578","m2579","10.1107/S1600536805036032","","","0.71073","MoKα","","0.0823","0.0419","","","0.071","0.0808","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207613","19.063","0.004","9.6915","0.0019","14.968","0.003","90","","96.114","0.003","90","","2749.6","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triphenyltin(IV) N-benylpiperazinyldithiocarbamate","","- C30 H30 N2 S2 Sn -","- C30 H30 N2 S2 Sn -","- C120 H120 N8 S8 Sn4 -","4","1","NG6225","Feng Li; Han-Dong Yin; Da-Qi Wang","(4-Benzylpiperazine-1-carbodithioato)triphenyltin(IV)","Acta Crystallographica Section E","2005","61","12","m2464","m2465","10.1107/S1600536805035087","","","0.71073","MoKα","","0.0833","0.0433","","","0.0911","0.1099","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207614","11.051","0.002","8.9055","0.0018","19.203","0.004","90","","96.31","0.03","90","","1878.4","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquatris(nitrato-κ^2^O,O')bis(4-pyridone-κO)lanthanum(III)","","- C10 H14 La N5 O13 -","- C10 H14 La N5 O13 -","- C40 H56 La4 N20 O52 -","4","0.5","NG6231","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Diaquatris(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(4-pyridone-κ<i>O</i>)lanthanum(III)","Acta Crystallographica Section E","2005","61","12","m2523","m2525","10.1107/S1600536805035439","","","0.71073","MoKα","","0.0162","0.0159","","","0.0398","0.0399","","","","","","1.242","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207615","14.542","0.003","12.806","0.003","22.265","0.004","90","","101.39","0.03","90","","4064.6","1.5","150","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(3,5-Dimethylpyridine)bis(tri-tert-butoxysilanethiolato)zinc(II)","","- C31 H63 N O6 S2 Si2 Zn -","- C31 H63 N O6 S2 Si2 Zn -","- C124 H252 N4 O24 S8 Si8 Zn4 -","4","0.5","NG6232","Dołęga, Anna; Konitz, Antoni; Baum, Elke; Wojnowski, Wiesław","(3,5-Dimethylpyridine)bis(tri-<i>tert</i>-butoxysilanethiolato)zinc(II)","Acta Crystallographica Section E","2005","61","12","m2582","m2584","10.1107/S1600536805036391","","","0.71073","MoKα","","0.0406","0.0376","","","0.0954","0.097","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207616","10.807","0.002","12.614","0.003","16.055","0.003","103.89","0.03","108.77","0.03","103.69","0.03","1890.7","1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4,4'-bipyridine-κN)bis(4-carboxyphenoxyacetato-κO)cobalt(II) tetrahydrate","","- C38 H42 Co N4 O16 -","- C38 H42 Co N4 O16 -","- C76 H84 Co2 N8 O32 -","2","1","NG6234","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","Diaquabis(4,4'-bipyridine-κ<i>N</i>)bis(4-carboxyphenoxyacetato-κ<i>O</i>)cobalt(II) tetrahydrate","Acta Crystallographica Section E","2005","61","12","m2550","m2552","10.1107/S1600536805036172","","","0.71073","MoKα","","0.0667","0.0422","","","0.1102","0.1205","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207617","7.7792","0.0007","11.238","0.0011","17.5795","0.0015","90","","107.761","0.004","90","","1463.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ~2~-Oxalato-κ^2^O,O':κ^2^O'',O'''-bis[aqua(1,10-phenanthroline- κ^2^N,N')copper(II)] dinitrate dihydrate","","- C26 H24 Cu2 N6 O14 -","- C26 H24 Cu2 N6 O14 -","- C52 H48 Cu4 N12 O28 -","2","0.5","NG6236","Zhang, Xiang-Dong; Zhao, Zhen; Sun, Jin-Yu; Ma, Yong-Chao; Zhu, Miao-Li","μ~2~-Oxalato-κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>'''-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] dinitrate dihydrate","Acta Crystallographica Section E","2005","61","12","m2643","m2645","10.1107/S1600536805037396","","","0.71073","MoKα","","0.0322","0.0292","","","0.0822","0.0845","","","","","","1.031","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207618","7.9627","0.0009","10.4988","0.0012","12.3751","0.0014","76.616","0.002","87.507","0.002","70.685","0.002","949.18","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-2-nitrobenzoato-κ^2^O:O')bis[(pyridine-κN)zinc(II)]","","- C38 H26 N6 O16 Zn2 -","- C38 H26 N6 O16 Zn2 -","- C38 H26 N6 O16 Zn2 -","1","0.5","NG6245","Guo-Liang Zhao; Yi-Hang Wen","Tetrakis(μ-2-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(pyridine-κ<i>N</i>)zinc(II)]","Acta Crystallographica Section E","2005","61","12","m2699","m2700","10.1107/S1600536805037712","","","0.71073","MoKα","","","0.0449","","","0.0993","0.1028","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207619","11.245","0.002","12.354","0.003","15.226","0.003","112.05","0.02","92.83","0.03","86.44","0.03","1955.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tetramethylammonium chlorodiphenylthiocyanatoantimonate(III)","Tetramethylammonium chlorodiphenylthiocyanatoantimonate(III)","","- C17 H22 Cl N2 S Sb -","- C17 H22 Cl N2 S Sb -","- C68 H88 Cl4 N8 S4 Sb4 -","4","2","NG6252","Artali, Roberto; Bombieri, Gabriella; Bertazzi, Nuccio","Tetramethylammonium chlorodiphenylthiocyanatoantimonate(III)","Acta Crystallographica Section E","2005","61","12","m2733","m2735","10.1107/S1600536805038870","","","0.71073","MoKα","","0.0408","0.0393","","","0.098","0.0995","","","","","","1.285","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2207620","35.531","0.007","12.536","0.003","9.518","0.002","90","","91.61","0.002","90","","4237.8","1.6","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","11,12-Bis(2,2-dimethylpropyl)-9,10-dihydro-9,10-ethenoanthracene","","- C26 H32 -","- C26 H32 -","- C208 H256 -","8","1","OM6267","Herres, Joseph P.; Forman, Mark A.; Wheeler, Kraig A.","11,12-Bis(2,2-dimethylpropyl)-9,10-dihydro-9,10-ethenoanthracene","Acta Crystallographica Section E","2005","61","12","o3961","o3963","10.1107/S1600536805034896","","","0.71073","MoKα","","0.0569","0.0476","","","0.116","0.1195","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207621","22.699","0.005","4.1854","0.0009","6.9782","0.0015","90","","100.415","0.018","90","","652","0.2","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl 3-carboxy-2-hydroxypropanoate","","- C5 H8 O5 -","- C5 H8 O5 -","- C20 H32 O20 -","4","1","OM6268","He, Xiangjiu; Lobkovsky, Emil; Liu, Rui Hai","(<i>R</i>*)-Methyl 3-carboxy-2-hydroxypropanoate","Acta Crystallographica Section E","2005","61","12","o4104","o4106","10.1107/S1600536805036378","","","0.71073","MoKα","","0.0335","0.0312","","","0.0829","0.0844","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207622","18.785","0.011","9.581","0.005","18.523","0.01","90","","90.924","0.017","90","","3333","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,10-phenanthroline-κ^2^N,N)bis(thiosalicylato- 1κ^2^O,O':2κ^2^O',S)dizinc(II)","","- C38 H24 N4 O4 S2 Zn2 -","- C38 H24 N4 O4 S2 Zn2 -","- C152 H96 N16 O16 S8 Zn8 -","4","0.5","OM6269","Yu-Mei Dai; Jin-Feng Huang; Hui-Ying Shen","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)bis(thiosalicylato-1κ^2^<i>O</i>,<i>O</i>':2κ^2^<i>O</i>',<i>S</i>)dizinc(II)","Acta Crystallographica Section E","2005","61","12","m2491","m2492","10.1107/S1600536805035312","","","0.71073","MoKα","","","0.0402","","","0.0831","0.0881","","","","","","1.104","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207623","11.9781","0.001","24.094","0.002","10.7056","0.0009","90","","105.925","0.002","90","","2971.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[bis(4,4'-bipyridine)(μ~3~-4,4'-dicarboxy-biphenyl-3,3'- dicarboxylato)cobalt(II)]","","- C36 H24 Co N4 O8 -","- C36 H24 Co N4 O8 -","- C144 H96 Co4 N16 O32 -","4","1","RN6063","Xiang-Rong Hao; Zhong-Min Su; Ya-Hui Zhao; Kui-Zhan Shao; Yong Wang","Poly[bis(4,4'-bipyridine)(μ~3~-4,4'-dicarboxybiphenyl-3,3'-dicarboxylato)cobalt(II)]","Acta Crystallographica Section E","2005","61","12","m2477","m2479","10.1107/S1600536805033842","","","0.71073","MoKα","","0.0851","0.0429","","","0.094","0.1005","","","","","","0.969","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207624","10.0756","0.0019","7.0683","0.0013","15.62","0.003","90","","102.03","0.003","90","","1088","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-chlorobenzyl)pyrimidine-2,4(1H,3H)-dione","","- C11 H9 Cl N2 O2 -","- C11 H9 Cl N2 O2 -","- C44 H36 Cl4 N8 O8 -","4","1","RN6068","Gong-chun Li; You-Quan Zhu; Yi-Feng Wang; Wei-Min Liu; Hua-Zheng Yang","1-(3-Chlorobenzyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","12","o4220","o4221","10.1107/S160053680503758X","","","0.71073","MoKα","","0.0717","0.0373","","","0.0912","0.1102","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207625","7.891","0.0002","8.6355","0.0002","9.2002","0.0003","89.42","0.001","72.741","0.001","66.316","0.001","543.99","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(triethanolamine-κ^3^N,O,O')nickel(II) benzene-1,4-dicarboxylate","","- C20 H34 N2 Ni O10 -","- C20 H34 N2 Ni O10 -","- C20 H34 N2 Ni O10 -","1","0.5","RN6069","Haukka, Matti; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Pombeiro, Armando J.L.","Bis(triethanolamine-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')nickel(II) benzene-1,4-dicarboxylate","Acta Crystallographica Section E","2005","61","12","m2746","m2748","10.1107/S1600536805039127","","","0.71073","MoKα","","0.03","0.0267","","","0.0643","0.0657","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207626","7.4255","0.001","15.497","0.002","7.0806","0.001","90","","108.648","0.002","90","","772.01","0.18","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C32 H28 N8 O8 -","2","0.5","RZ6131","Li, Yu-Guang; Zhu, Hai-Liang; Chen, Xin-Zhi; Song, Yu","<i>N</i>,<i>N</i>'-Bis(2-nitrobenzylidene)ethylenediamine","Acta Crystallographica Section E","2005","61","12","o4156","o4157","10.1107/S1600536805037153","","","0.71073","MoKα","","0.0671","0.0544","","","0.1439","0.1542","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207627","15.4","0.002","7.4361","0.0011","33.601","0.005","90","","90","","90","","3847.9","0.9","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(4-(2,3-dichlorophenyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one hydrochloride","","- C17 H19 Cl3 N2 O S -","- C17 H19 Cl3 N2 O S -","- C136 H152 Cl24 N16 O8 S8 -","8","1","RZ6132","Yang, Xiong-Wen; Li, Ai-Jun; Zhu, Kong-Ming; Zhou, Xue-Qin; Liu, Dong-Zhi","4-(2,3-Dichlorophenyl)-1-[3-oxo-3-(2-thienyl)propyl]piperazin-1-ium chloride","Acta Crystallographica Section E","2005","61","12","o4144","o4145","10.1107/S1600536805037190","","","0.71073","MoKα","","0.0801","0.0583","","","0.1278","0.139","","","","","","1.115","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207628","26.353","0.003","7.3649","0.0007","14.8434","0.0016","90","","120.057","0.01","90","","2493.5","0.5","295","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cu I4 N4 -","- C20 H16 Cu I4 N4 -","- C80 H64 Cu4 I16 N16 -","4","0.5","RZ6134","Choi, Sung-Nak; Heo, Ji Youn; Ryu, Hae-Wook; Oh, Myung-Jin; Kang, Sung Kwon","Redetermination of bis(2,2'-bipyridine)iodocopper(II) triiodide","Acta Crystallographica Section E","2005","61","12","m2658","m2660","10.1107/S1600536805037578","","","0.71073","MoKα","","","0.0436","","","","0.0952","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207629","6.9279","0.0004","11.4613","0.0007","10.198","0.0007","90","","99.052","0.001","90","","799.66","0.09","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Methylsulfanyl)-1H-benzimidazole","","- C8 H8 N2 S -","- C8 H8 N2 S -","- C32 H32 N8 S4 -","4","1","RZ6137","G. Y. S. K. Swamy; K. Ravikumar","2-(Methylsulfanyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2005","61","12","o4200","o4202","10.1107/S1600536805037566","","","0.71073","MoKα","","0.0357","0.0333","","","0.0877","0.0904","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207630","7.841","0.002","9.043","0.002","12.012","0.002","106.96","0.002","102.78","0.003","93.04","0.003","788.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aqua[4-bromo-2-(pyridinylmethyliminomethyl)phenolato]zinc(II) nitrate monohydrate","","- C13 H14 Br N3 O6 Zn -","- C13 H14 Br N3 O6 Zn -","- C26 H28 Br2 N6 O12 Zn2 -","2","1","RZ6138","Chen, Yue","Aqua[4-bromo-2-(pyridinylmethyliminomethyl)phenolato]zinc(II) nitrate monohydrate","Acta Crystallographica Section E","2005","61","12","m2716","m2717","10.1107/S1600536805037694","","","0.71073","MoKα","","0.0397","0.0331","","","0.0895","0.0935","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207631","9.26","0.002","10.846","0.003","15.531","0.004","77.794","0.004","87.324","0.004","65.873","0.004","1390","0.6","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2,6-Bis(1H-imidazol-1-ylmethyl)pyridine 1.5-hydrate","","- C13 H16 N5 O1.5 -","- C13 H16 N5 O1.5 -","- C52 H64 N20 O6 -","4","2","RZ6142","Xiang-Tai Meng; Qing-Shan Li; Feng-Bo Xu; Hai-Bin Song; Zheng-Zhi Zhang","2,6-Bis(1<i>H</i>-imidazol-1-ylmethyl)pyridine sesquihydrate","Acta Crystallographica Section E","2005","61","12","o4338","o4339","10.1107/S1600536805038742","","","0.71073","MoKα","","0.1161","0.0491","","","0.1181","0.1485","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207632","20.888","0.002","11.8633","0.0014","23.109","0.003","90","","107.686","0.002","90","","5455.8","1.1","297","2","297","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Bis(diphenylphosphino)methane-κ^2^P,P'][bis(diphenylthiophosphinyl)methane- κ^2^S,S']platinum(II) bis(perchlorate) acetone solvate","","- C53 H50 Cl2 O9 P4 Pt S2 -","- C53 H50 Cl2 O9 P4 Pt S2 -","- C212 H200 Cl8 O36 P16 Pt4 S8 -","4","1","RZ6143","Alkan, Leman; İrişli, Sevil","[Bis(diphenylphosphino)methane-κ^2^<i>P</i>,<i>P</i>'][bis(diphenylthiophosphinyl)methane-κ^2^<i>S</i>,<i>S</i>']platinum(II) bis(perchlorate) acetone solvate","Acta Crystallographica Section E","2005","61","12","m2706","m2708","10.1107/S1600536805038304","","","0.71073","MoKα","","0.0834","0.0763","","","0.1584","0.1616","","","","","","1.255","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207633","9.0892","0.0005","11.878","0.0006","15.8131","0.0008","90","","97.975","0.001","90","","1690.7","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 5,5''-dimethyl-2,2';6',2''terpyridine-4'-carboxylate","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","RZ6145","Guido Kickelbick; Richard Hoogenboom; Ulrich S. Schubert","Ethyl 5,5''-dimethyl-2,2';6',2''-terpyridine-4'-carboxylate","Acta Crystallographica Section E","2005","61","12","o4322","o4324","10.1107/S1600536805038547","","","0.71073","MoKα","","0.0558","0.0486","","","0.1422","0.1489","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207634","9.951","0.0019","11.188","0.002","13.907","0.003","69.96","0.003","83.727","0.004","63.665","0.003","1301.9","0.4","293","2","294","2","","","","","","","","7","P -1","-P 1","2","","bis(dimethylformamide)bis[μ-3,10,18,21-tetraazatetracyclo[20.4.0.0^4,9^.0^12,17^]hexacosa-2,10,12,14,16,22,24,26-octaene-19,20-dionato(2-)]bis(thiocyanato)dicopper(II)manganese(II)","","- C52 H54 Cu2 Mn N12 O6 S2 -","- C52 H54 Cu2 Mn N12 O6 S2 -","- C52 H54 Cu2 Mn N12 O6 S2 -","1","0.5","SG6037","Jia, Xue-Qiao; Yang, Guang-Ming","A trinuclear Cu~2~Mn complex, [Mn(Cu<i>L</i>)~2~(DMF)~2~](SCN)~2~, where H~2~<i>L</i> is 3,10,18,21-tetraazatetracyclo[20.4.0.0^4,9^.0^12,17^]hexacosa-2,10,12,14,16,22,24,26-octaene-19,20-dionate(2{-}) and DMF is dimethylformamide","Acta Crystallographica Section E","2005","61","12","m2653","m2654","10.1107/S1600536805037438","","","0.71073","MoKα","","0.0832","0.0454","","","0.0927","0.1101","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207635","12.1765","0.0009","14.2518","0.001","26.6488","0.0018","90","","90","","90","","4624.6","0.6","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Dibrucinium sulfate heptahydrate","","- C46 H68 N4 O19 S -","- C46 H68 N4 O19 S -","- C184 H272 N16 O76 S4 -","4","0.5","SG6038","Agata Białońska; Zbigniew Ciunik","Dibrucinium sulfate heptahydrate","Acta Crystallographica Section E","2005","61","12","o4222","o4224","10.1107/S1600536805037451","","","0.71073","MoKα","","0.056","0.047","","","0.091","0.094","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207636","8.7541","0.001","6.8132","0.0005","13.5203","0.0019","90","","100.28","0.013","90","","793.45","0.16","295","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3-(4-tert-Butylphenoxy)phthalonitrile","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","0.5","SJ6137","Xin Huang; Fuqun Zhao; Ru-Ji Wang; Fushi Zhang; Chen-Ho, Tung","3-(4-<i>tert</i>-Butylphenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","12","o4384","o4386","10.1107/S1600536805035725","","","0.71073","MoKα","","0.1143","0.0518","","","0.0937","0.1126","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207637","5.6051","0.0007","7.4946","0.001","13.2471","0.0017","101.308","0.002","91.883","0.002","100.565","0.002","535.06","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazine","","- C12 H7 Cl F N3 -","- C12 H7 Cl F N3 -","- C24 H14 Cl2 F2 N6 -","2","1","SJ6141","Wang, Lingling; Ma, Mingliang; Shen, Xiaohong; Zhao, Shiguo","6-Chloro-2-(4-fluorophenyl)imidazo[1,2-<i>b</i>]pyridazine","Acta Crystallographica Section E","2005","61","12","o4030","o4031","10.1107/S1600536805035920","","","0.71073","MoKα","","0.0613","0.0505","","","0.1245","0.1306","","","","","","0.958","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207638","13.174","0.006","10.506","0.005","20.259","0.008","90","","100.993","0.007","90","","2753","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(N,N-diethyldithiocarbamato-κ^2^S,S')iodo(1,10-phenanthroline)bismuth(III)","","- C22 H28 Bi I N4 S4 -","- C22 H28 Bi I N4 S4 -","- C88 H112 Bi4 I4 N16 S16 -","4","1","SJ6144","Feng Li; Han-Dong Yin; Da-Qi Wang","Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iodo(1,10-phenanthroline)bismuth(III)","Acta Crystallographica Section E","2005","61","12","m2541","m2543","10.1107/S1600536805035580","","","0.71073","MoKα","","0.1264","0.0576","","","0.1161","0.1396","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207639","8.75","0.002","10.12","0.002","11.394","0.002","90","","107.25","0.03","90","","963.6","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,5-Dihydroxy-4,5-dimethylocta-1,7-diyne","","- C10 H14 O2 -","- C10 H14 O2 -","- C40 H56 O8 -","4","1","SJ6145","Bolte, Michael; Eckstein, Klaus; Hashmi, A. Stephen K.","<i>meso</i>-4,5-Dihydroxy-4,5-dimethylocta-1,7-diyne","Acta Crystallographica Section E","2005","61","12","o4064","o4066","10.1107/S1600536805036147","","","0.71073","MoKα","","0.0649","0.048","","","0.1197","0.1298","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207640","10.221","0.001","15.054","0.002","10.6","0.001","90","","91.19","0.001","90","","1630.6","0.3","295","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N5 S2 Zn -","- C12 H15 N5 S2 Zn -","- C48 H60 N20 S8 Zn4 -","4","1","SJ6146","Chen, Guang; Bai, Zhi-Ping; Qu, Sheng-Ju","[<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>''-(2-pyridylmethylene)ethane-1,2-diamine]dithiocyanatozinc(II)","Acta Crystallographica Section E","2005","61","12","m2483","m2484","10.1107/S1600536805035300","","","0.71073","MoKα","","0.0555","0.039","","","0.1045","0.1168","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207641","10.3775","0.0009","7.4406","0.0007","20.639","0.0018","90","","96.231","0.002","90","","1584.2","0.2","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5-Dimethyl-2-oxo-4-phenyl-2-(2-pyridylamino)-1,3,2-dioxaphosphorinane","","- C16 H19 N2 O3 P -","- C16 H19 N2 O3 P -","- C64 H76 N8 O12 P4 -","4","1","SJ6147","Yan Yu; Chang Liu; Xingyu Yang","5,5-Dimethyl-2-oxo-4-phenyl-2-(2-pyridylamino)-1,3,2-dioxaphosphorinane","Acta Crystallographica Section E","2005","61","12","o4270","o4271","10.1107/S1600536805036585","","","0.71073","MoKα","","0.0497","0.0465","","","0.1182","0.1203","","","","","","1.123","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207642","8.528","0.002","9.128","0.001","15.371","0.001","91.737","0.001","97.043","0.001","115.639","0.001","1065.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[dipyridylcopper(II)]di-μ-thiocyanato]","","- C12 H10 Cu N4 S2 -","- C12 H10 Cu N4 S2 -","- C36 H30 Cu3 N12 S6 -","3","1.5","SJ6148","Chen, Guang; Bai, Zhi-Ping; Qu, Sheng-Ju","<i>catena</i>-Poly[[dipyridylcopper(II)]-di-μ-thiocyanato]","Acta Crystallographica Section E","2005","61","12","m2718","m2719","10.1107/S1600536805036998","","","0.71073","MoKα","","0.0481","0.0357","","","0.0916","0.0994","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207643","5.9288","0.0018","7.651","0.002","20.087","0.006","96.711","0.005","93.768","0.005","90.115","0.005","902.9","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-[3-(Benzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine","","- C20 H16 N4 O5 -","- C20 H16 N4 O5 -","- C40 H32 N8 O10 -","2","1","SJ6149","Shi, Jun","(<i>E</i>)-1-[3-(Benzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine","Acta Crystallographica Section E","2005","61","12","o4018","o4019","10.1107/S1600536805035932","","","0.71073","MoKα","","0.0714","0.0424","","","0.0995","0.1165","","","","","","1.017","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207644","7.945","0.003","12.253","0.005","12.549","0.005","67.618","0.007","84.794","0.007","87.729","0.008","1124.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-[3-(Benzyloxy)-4-methoxybenzylidene]-2-(2,4-dinitrophenyl)hydrazine acetonitrile solvate","","- C23 H21 N5 O6 -","- C23 H21 N5 O6 -","- C46 H42 N10 O12 -","2","1","SJ6150","Shi, Jun","(<i>E</i>)-1-[3-(Benzyloxy)-4-methoxybenzylidene]-2-(2,4-dinitrophenyl)hydrazine acetonitrile solvate","Acta Crystallographica Section E","2005","61","12","o4020","o4022","10.1107/S1600536805035981","","","0.71073","MoKα","","0.1233","0.0509","","","0.1175","0.1531","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207645","10.043","0.003","24.317","0.007","10.199","0.003","90","","108.275","0.005","90","","2365.1","1.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-[4-(Benzyloxy)-3-ethoxybenzylideneamino]-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one","","- C27 H27 N3 O3 -","- C27 H27 N3 O3 -","- C108 H108 N12 O12 -","4","1","SJ6151","Shi, Jun","(<i>E</i>)-4-[4-(Benzyloxy)-3-ethoxybenzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","12","o4023","o4024","10.1107/S1600536805036007","","","0.71073","MoKα","","0.1197","0.0457","","","0.1013","0.1272","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207646","7.067","0.001","24.123","0.002","13.379","0.001","90","","90","","90","","2280.8","0.4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-Poly[[[aqua(di-2-pyridylamine-κ^2^N^2^,N^2'^)copper(II)]-μ- thiophene-2,5-dicarboxylato-κ^2^O^2^:O^5^] N,N-dimethylformamide monohydrate]","","- C19 H22 Cu N4 O7 S -","- C19 H22 Cu N4 O7 S -","- C76 H88 Cu4 N16 O28 S4 -","4","1","SJ6152","Hong-Ping Xiao","<i>catena</i>-Poly[[[aqua(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)]-μ-thiophene-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] <i>N</i>,<i>N</i>-dimethylformamide monohydrate]","Acta Crystallographica Section E","2005","61","12","m2592","m2594","10.1107/S1600536805036433","","","0.71073","MoKα","","0.0337","0.0307","","","0.0738","0.0751","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207647","18.3934","0.0013","10.696","0.0007","10.8516","0.0008","90","","95.488","0.006","90","","2125.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-4-((E)-(4-butylphenyl)diazenyl)-6-((1,3-dihydroxy-2-(hydroxymethyl)p ropan- 2-ylamino)methylene)-2-methoxycyclohexa-2,4-dienone","","- C22 H29 N3 O5 -","- C22 H29 N3 O5 -","- C88 H116 N12 O20 -","4","1","SJ6154","Ersanlı, Cem Cüneyt; Albayrak, Çigdem; Odabaşoglu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-[(<i>E</i>)-(4-Butylphenyl)diazenyl]-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone","Acta Crystallographica Section E","2005","61","12","o4139","o4141","10.1107/S1600536805037177","","","0.71073","MoKα","","0.146","0.083","","","0.223","0.25","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","211196","2020-10-21","18:00:00",""
"2207648","10.179","0.0015","12.5659","0.0018","12.8305","0.0019","71.764","0.002","83.782","0.003","73.156","0.002","1491.5","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","[2-phenyl-3,10,18,21-tetraazatetracyclo[20.4.0.0^4,9^.0^12,17^]hexacosa-2,10,12,14,16,22,24,26-octaene-19,20-dionato(2-)]copper(II) methanol solvate","","- C35 H32 N4 Ni O3 -","- C35 H32 N4 Ni O3 -","- C70 H64 N8 Ni2 O6 -","2","1","SJ6155","Jia, Xue-Qiao; Yang, Guang-Ming","A new nickel(II) complex, [Ni<i>L</i>]·CH~3~OH, where H~2~<i>L</i> is 2-phenyl-3,10,18,21-tetraazatetracyclo[20.4.0.0^4,9^.0^12,17^]hexacosa-2,10,12,14,16,22,24,26-octaene-19,20-dionate(2{-})","Acta Crystallographica Section E","2005","61","12","m2655","m2657","10.1107/S1600536805037335","","","0.71073","MoKα","","0.0605","0.0394","","","0.0924","0.1042","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207649","4.5854","0.0013","14.953","0.004","24.363","0.007","90","","92.475","0.005","90","","1668.9","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1-(4-Methoxy-3-propoxybenzylidene)-2-(4-nitrophenyl)hydrazine","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C68 H76 N12 O16 -","4","1","SJ6156","Shi, Jun","(<i>E</i>)-1-(4-Methoxy-3-propoxybenzylidene)-2-(4-nitrophenyl)hydrazine","Acta Crystallographica Section E","2005","61","12","o4091","o4092","10.1107/S1600536805036408","","","0.71073","MoKα","","0.1672","0.0531","","","0.122","0.1763","","","","","","0.989","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207650","9.25","0.002","19.736","0.004","10.797","0.002","90","","95.24","0.02","90","","1962.8","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetraaquabis(3,5-dihydroxybenzoato-κO)nickel(II) trihydrate","","- C14 H24 Ni O15 -","- C14 H24 Ni O15 -","- C56 H96 Ni4 O60 -","4","1","SJ6157","Wang, Huan-Yu; Gao, Shan; Ng, Seik Weng","Tetraaquabis(3,5-dihydroxybenzoato-κ<i>O</i>)nickel(II) trihydrate","Acta Crystallographica Section E","2005","61","12","m2639","m2640","10.1107/S1600536805036792","","","0.71073","MoKα","","0.042","0.037","","","0.117","0.121","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207651","7.586","0.002","12.525","0.002","17.627","0.002","94.92","0.01","92.88","0.02","99.19","0.01","1643.7","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2,6-Bis(4-aminophenyl)benzo[1,2-d:5,4-d']dioxazole 1-methylpyrrolidin-2-one trisolvate","","- C35 H41 N7 O5 -","- C35 H41 N7 O5 -","- C70 H82 N14 O10 -","2","1","SJ6158","Zhao, Hui; Sun, Li-Ping; Ng, Seik Weng","2,6-Bis(4-aminophenyl)benzo[1,2-<i>d</i>:5,4-<i>d</i>']dioxazole 1-methylpyrrolidin-2-one trisolvate","Acta Crystallographica Section E","2005","61","12","o4158","o4159","10.1107/S1600536805036986","","","0.71073","MoKα","","0.129","0.066","","","0.155","0.184","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207652","7.583","0.004","24.124","0.011","9.761","0.005","90","","97.18","0.008","90","","1771.6","1.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(4-Butoxy-3-methoxybenzylidene)benzohydrazide","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","SJ6159","Zhen, Xiao-Li; Han, Jian-Rong","(<i>E</i>)-<i>N</i>'-(4-Butoxy-3-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2005","61","12","o4282","o4284","10.1107/S1600536805038341","","","0.71073","MoKα","","0.1365","0.0484","","","0.0973","0.1253","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207653","9.2973","0.0006","13.206","0.0009","19.0372","0.0013","90","","90","","90","","2337.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Maleopimaric anhydride ethyl ester","","- C26 H36 O5 -","- C26 H36 O5 -","- C104 H144 O20 -","4","1","SJ6161","Yong-Hong Li; Tian-Rui Ren; Jian-Ping Guo; Jian-Cheng Liu","Maleopimaric anhydride ethyl ester","Acta Crystallographica Section E","2005","61","12","o4305","o4306","10.1107/S1600536805038390","","","0.71073","MoKα","","0.0727","0.0701","","","0.155","0.1562","","","","","","1.284","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207654","14.928","0.005","8.326","0.003","8.83","0.003","90","","90","","90","","1097.5","0.7","295","3","295","3","","","","","","","","6","P c a 21","P 2c -2ac","29","","catena-Poly[[aqua(1H-imidazole-κN)cadmium(II)]- μ-thiodiacetato-κ^4^O,S,O':O'']","","- C7 H10 Cd N2 O5 S -","- C7 H10 Cd N2 O5 S -","- C28 H40 Cd4 N8 O20 S4 -","4","1","SJ6162","Tian-Tian Pan; Duan-Jun Xu","<i>catena</i>-Poly[[aqua(1<i>H</i>-imidazole-κ<i>N</i>)cadmium(II)]-μ-thiodiacetato-κ^4^<i>O</i>,<i>S</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section E","2005","61","12","m2674","m2676","10.1107/S1600536805037608","","","0.71073","MoKα","","0.019","0.019","","","0.045","0.046","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207655","11.677","0.0001","13.5461","0.0001","19.063","0.0003","86.022","0.0005","86.1216","0.0005","72.6081","0.0005","2867.07","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-iodo-1κI:2κI-tris(tri-m-tolylphosphine)-1κ^2^P,P':2κP''-dicopper(I)","","- C63 H63 Cu2 I2 P3 -","- C63 H63 Cu2 I2 P3 -","- C126 H126 Cu4 I4 P6 -","2","1","SU6222","G. M. Golzar Hossain; Afroza Banu; Zaki S. Seddigi","Di-μ-iodo-1κ<i>I</i>:2κ<i>I</i>-tris(tri-<i>m</i>-tolylphosphine)-1κ^2^<i>P</i>,<i>P</i>':2κ<i>P</i>''-dicopper(I): a new polymorph","Acta Crystallographica Section E","2005","61","12","m2629","m2630","10.1107/S1600536805036925","","","0.71073","MoKα","","0.0376","0.0309","","","0.0715","0.0751","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207656","17.537","0.005","6.759","0.002","11.148","0.003","90","","118.557","0.004","90","","1160.6","0.6","293","2","273","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Methyl N-[4-(4,6-dimethylpyrimidin-2-ylamino)thiocarbonyl]carbamate","","- C9 H12 N4 O2 S -","- C9 H12 N4 O2 S -","- C36 H48 N16 O8 S4 -","4","0.5","SU6229","Ying-Hui Ren; Ji-Rong Song; Jie Huang; Xiao-Hong Sun; Huai-Ming Hu","Methyl <i>N</i>-[4-(4,6-dimethylpyrimidin-2-ylamino)thiocarbonyl]carbamate","Acta Crystallographica Section E","2005","61","12","o4013","o4015","10.1107/S160053680503549X","","","0.71073","MoKα","","0.0492","0.0389","","","0.11","0.1157","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207657","9.2193","0.0013","7.9209","0.0012","10.2436","0.0015","90","","90.034","0.002","90","","748.04","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[μ~2~-4,4'-bipyridine-di-μ~2~-imidazolido-cadmium(II)]","","- C16 H14 Cd N6 -","- C16 H14 Cd N6 -","- C32 H28 Cd2 N12 -","2","0.5","SU6233","Jin-Yu Han; Jian Fang; He-Ying Chang; Yang Dong; Shuang Liang","Poly[μ~2~-4,4'-bipyridine-di-μ~2~-imidazolidocadmium(II)]","Acta Crystallographica Section E","2005","61","12","m2667","m2669","10.1107/S1600536805037293","","","0.71073","MoKα","","0.025","0.0208","","","0.0513","0.0547","","","","","","1.144","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207658","7.0605","0.0011","8.1633","0.0011","9.2352","0.0013","94.103","0.011","107.421","0.013","97.215","0.012","500.49","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4-(Diethylamino)salicylaldehyde","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C22 H30 N2 O4 -","2","1","SU6234","Vančo, Ján; Marek, Jaromír; Švajlenová, Oľga","4-(Diethylamino)salicylaldehyde","Acta Crystallographica Section E","2005","61","12","o4209","o4211","10.1107/S1600536805037323","","","0.71073","MoKα","","0.0434","0.036","","","0.0987","0.1032","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207659","7.2371","0.0014","9.5895","0.0019","11.633","0.002","75.8","0.03","75.5","0.03","72.69","0.03","733.4","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Benzimidazolium 3-carboxy-phenoxyacetate","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","SU6235","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","Benzimidazolium 4-carboxyphenoxyacetate","Acta Crystallographica Section E","2005","61","12","o3958","o3960","10.1107/S1600536805035105","","","0.71073","MoKα","","0.0734","0.0481","","","0.11","0.119","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207660","32.045","0.002","8.7676","0.0007","15.9796","0.001","90","","90","","90","","4489.6","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Kynathrin cinnamic acid","2-amino-4,6-dimethylpyrimidine–cinnamic acid (1/2)","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C192 H200 N24 O32 -","8","1","SU6236","Kasthuri Balasubramani; Packianathan Thomas Muthiah; Ramaswamy Karunanandam RajaRam; Balasubramanian Sridhar","Hydrogen-bonding patterns in 2-amino-4,6-dimethylpyrimidine–cinnamic acid (1/2)","Acta Crystallographica, Section E","2005","61","1","o4203","o4205","10.1107/S160053680503730X","","","0.71073","MoKα","","0.1074","0.048","","","0.1221","0.1576","","","","","","1.028","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2207661","11.052","0.002","6.721","0.0015","13.204","0.003","90","","114.344","0.003","90","","893.6","0.3","294","2","294","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","N-(3-Nitrophenyl)-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxamide dimethylformamide solvate","","- C14 H18 N3 O8 P -","- C14 H18 N3 O8 P -","- C28 H36 N6 O16 P2 -","2","0.5","SU6238","Zang, Hong-Jun; Guo, Ming-Lin; Cheng, Bo-Wen; Ren, Yuan-Lin","<i>N</i>-(3-Nitrophenyl)-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxamide dimethylformamide solvate","Acta Crystallographica Section E","2005","61","12","o4195","o4197","10.1107/S1600536805037311","","","0.71073","MoKα","","0.0704","0.0427","","","0.1093","0.1281","","","","","","1.007","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207662","11.649","0.004","11.774","0.004","13.292","0.004","90","","109.939","0.005","90","","1713.8","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(1,10‒phenanthroline‒κ~2~N,N')(2,3‒pyridinedicarboxylate) manganese(II)].hydrate","","- C19 H13 Mn N3 O5 -","- C19 H13 Mn N3 O5 -","- C76 H52 Mn4 N12 O20 -","4","1","SU6239","Xue-Li Niu; Jian-Min Dou; Chang-Wen Hu; Da-Cheng Li; Da-Qi Wang","Poly[[(1,10-phenanthroline)(μ~3~-pyridine-2,3-dicarboxylato)manganese(II)] monohydrate]","Acta Crystallographica Section E","2005","61","12","m2507","m2509","10.1107/S1600536805035257","","","0.71073","MoKα","","0.1188","0.0604","","","0.1626","0.196","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207663","6.0749","0.0012","15.428","0.003","16.028","0.003","86.59","0.03","86.42","0.03","81.19","0.03","1479.7","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","[Triaqua(2,2'-bipyridine-κ^2^N,N')(3-carboxyphenoxyacetato-κO)manganese(II)] 3-carboxylphenoxyacetate monohydrate","","- C28 H30 Mn N2 O14 -","- C28 H30 Mn N2 O14 -","- C56 H60 Mn2 N4 O28 -","2","1","SU6240","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","Triaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(3-carboxyphenoxyacetato-κ<i>O</i>)manganese(II) 3-carboxyphenoxyacetate monohydrate","Acta Crystallographica Section E","2005","61","12","m2471","m2473","10.1107/S1600536805035336","","","0.71073","MoKα","","0.0616","0.0401","","","0.0843","0.0909","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207664","7.953","0.003","11.686","0.005","12.524","0.005","65.107","0.006","87.463","0.007","86.98","0.008","1054","0.7","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-(2,4-Dinitrophenyl)-2-{2-[2-(2-nitrophenoxy)ethoxy]benzylidene}hydrazine","","- C21 H17 N5 O8 -","- C21 H17 N5 O8 -","- C42 H34 N10 O16 -","2","1","SU6241","Diao, Chun-Hua; Fan, Zhi; Yu, Ming; Chen, Xin; Jing, Zuo-Liang","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-{2-[2-(2-nitrophenoxy)ethoxy]benzylidene}hydrazine","Acta Crystallographica Section E","2005","61","12","o4177","o4179","10.1107/S1600536805037487","","","0.71073","MoKα","","0.1038","0.0505","","","0.1236","0.1583","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207665","13.8","0.003","8.232","0.0016","11.959","0.002","90","","103.36","0.03","90","","1321.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-N-(4-nitrophenyl)benzenesulfonamide","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","SU6243","Jun-De Xing; Tao Zeng","4-Methyl-<i>N</i>-(4-nitrophenyl)benzenesulfonamide","Acta Crystallographica Section E","2005","61","12","o4318","o4319","10.1107/S160053680503847X","","","0.71073","MoKα","","0.041","0.037","","","0.115","0.12","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207666","7.8159","0.0016","8.0701","0.0016","25.165","0.005","90","","95.36","0.03","90","","1580.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-[4-(Ethoxycarbonyl)phenyl]-p-tolylsulfonamide","Ethyl 4-[(4-methylphenyl)sulfonylamino]benzoate","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","SU6244","Jun-De Xing; Zhi-Hong Nan","<i>N</i>-[4-(Ethoxycarbonyl)phenyl]-<i>p</i>-tolylsulfonamide","Acta Crystallographica Section E","2005","61","12","o4320","o4321","10.1107/S1600536805038481","","","0.71073","MoKα","","0.054","0.041","","","0.121","0.129","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207667","13.8042","0.0009","6.791","0.0004","21.7163","0.0013","90","","90","","90","","2035.8","0.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-didysprosium(III)]","","- C20 H12 Dy2 O12 -","- C20 H12 Dy2 O12 -","- C80 H48 Dy8 O48 -","4","0.5","SU6248","Zhi-Feng Li; Chun-Xiang Wang","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-didysprosium(III)]","Acta Crystallographica Section E","2005","61","12","m2689","m2690","10.1107/S1600536805038171","","","0.71073","MoKα","","0.0226","0.0212","","","0.0592","0.06","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207668","19.74","0.004","9.5361","0.0018","9.723","0.0018","90","","101.699","0.003","90","","1792.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1-(4-Bromo-2-fluorophenyl)-3-trifluoromethyl-1H-pyrazol-5-yl benzenesulfonate","","- C16 H9 Br F4 N2 O3 S -","- C16 H9 Br F4 N2 O3 S -","- C64 H36 Br4 F16 N8 O12 S4 -","4","1","SU6251","Duan, Xue-Min; Fan, Mei-Lian; Zheng, Peng-Wu; Li, Jiang-Sheng; Huang, Peng-Mian","1-(4-Bromo-2-fluorophenyl)-3-trifluoromethyl-1<i>H</i>-pyrazol-5-yl benzenesulfonate","Acta Crystallographica Section E","2005","61","12","o4266","o4267","10.1107/S1600536805038183","","","0.71073","MoKα","","0.121","0.0526","","","0.12","0.1524","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207669","11.892","0.002","12.962","0.001","10.43","0.001","90","","108.8","0.01","90","","1521.9","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorophenyl)-6-(2,4-difluorophenyl)-7H-1,2,4- triazolo[3,4-b][1,3,4]thiadiazine","","- C16 H9 Cl F2 N4 S -","- C16 H9 Cl F2 N4 S -","- C64 H36 Cl4 F8 N16 S4 -","4","1","SU6252","Li-Xue Zhang; Jian-Yu Jin; San-Nu Zhou; Hong-Ping Xiao; An-Jiang Zhang","3-(4-Chlorophenyl)-6-(2,4-difluorophenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2005","61","12","o4340","o4342","10.1107/S1600536805038201","","","0.71073","MoKα","","0.0401","0.0365","","","0.091","0.0934","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207670","5.876","0.0001","7.5163","0.0001","21.3393","0.0002","100.047","0.001","92.57","0.001","93.006","0.001","925.34","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Amino-1-benzyl-4-cyano-3-methylimidazolium toluene-p-sulfonate","","- C19 H20 N4 O3 S -","- C19 H20 N4 O3 S -","- C38 H40 N8 O6 S2 -","2","1","TK6267","Raja Dey; Tapati Banerjee; Vratislav Langer; Sibdas Ray; Priyobroto Roychowdhury","5-Amino-1-benzyl-4-cyano-3-methylimidazolium toluene-<i>p</i>-sulfonate","Acta Crystallographica Section E","2005","61","12","o4039","o4041","10.1107/S1600536805035610","","","0.71073","MoKα","","0.072","0.05","","","0.116","0.127","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207671","7.3551","0.0019","9.2458","0.0012","20.332","0.003","90","","90","","90","","1382.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-(-)-2,3-methylenedioxy-8-oxoberbine","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","TK6277","Gzella, Andrzej; Chrzanowska, Maria; Dreas, Agnieszka","(<i>S</i>)-(‒)-2,3-Methylenedioxy-8-oxoberbine","Acta Crystallographica Section E","2005","61","12","o4001","o4003","10.1107/S1600536805035609","","","1.54178","CuKα","","0.04","0.031","","","0.08","0.085","","","","","","1.07","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207672","8.9389","0.0003","12.1466","0.0004","9.4334","0.0003","90","","116.189","0.001","90","","919.11","0.05","295","1","295","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","trans-Diaqua(malonato)(1,10-phenanthroline)nickel(II) trihydrate","","- C15 H20 N2 Ni O9 -","- C15 H20 N2 Ni O9 -","- C30 H40 N4 Ni2 O18 -","2","0.5","TK6278","Shu-Min Zhao; Tian-Xing Wu","<i>trans</i>-Diaqua(malonato)(1,10-phenanthroline)nickel(II) trihydrate","Acta Crystallographica Section E","2005","61","12","m2544","m2545","10.1107/S1600536805035798","","","0.71069","MoKα","","0.028","0.025","","","0.067","0.076","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207673","5.46","0.006","8.496","0.007","7.433","0.006","90","","103.8","0.04","90","","334.9","0.5","100","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Trimethylammonium tetrafluoroborate","","- C3 H10 B F4 N -","- C3 H10 B F4 N -","- C6 H20 B2 F8 N2 -","2","0.5","TK6280","Gotoh, Kazuma; Ishikawa, Rie; Ishida, Hiroyuki","Trimethylammonium tetrafluoroborate at 100K","Acta Crystallographica Section E","2005","61","12","o4016","o4017","10.1107/S1600536805035592","","","0.71073","MoKα","","","0.045","","","","0.14","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207674","18.354","0.004","9.658","0.002","18.982","0.003","90","","119.69","0.02","90","","2923.1","1.2","293","2","295","2","","","","","","","","6","P 1 c 1","P -2yc","7","","catena-poly[triethylammonium [triphenylstannate(IV)-μ-2,5-thiophenedicarboxylato]]","","- C30 H33 N O4 S Sn -","- C30 H33 N O4 S Sn -","- C120 H132 N4 O16 S4 Sn4 -","4","2","TK6281","Ng, Seik Weng","Rerefinement of <i>catena</i>-poly[triethylammonium [triphenylstannate(IV)-μ-2,5-thiophenedicarboxylato]] in the space group <i>Pc</i>","Acta Crystallographica Section E","2005","61","12","m2512","m2513","10.1107/S1600536805035622","","","0.71073","MoKα","","0.055","0.041","","","0.101","0.111","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207675","14.4361","0.0019","14.4361","0.0019","8.2304","0.0015","90","","90","","90","","1715.2","0.4","294","2","294","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","N,N'-Bis(2-dimethylaminopropyl)dithiooxamide","","- C12 H26 N4 S2 -","- C12 H26 N4 S2 -","- C48 H104 N16 S8 -","4","0.25","TK6282","Cui, Jian-Zhong; Zhang, Dan; Lu, Fan-Li; Gao, Hong-Ling; Wang, Hai-Tao","<i>N</i>,<i>N</i>'-Bis(3-dimethylaminopropyl)dithiooxamide","Acta Crystallographica Section E","2005","61","12","o4011","o4012","10.1107/S1600536805035828","","","0.71073","MoKα","","0.081","0.045","","","0.115","0.151","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207676","8.7778","0.0016","24.029","0.004","4.7259","0.0009","90","","90","","90","","996.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","3-Ethoxy-4-[3-(2-ethoxy-4-formylphenoxy)propoxy]benzaldehyde","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","0.5","TK6284","Han, Jian-Rong; Zhen, Xiao-Li","3-Ethoxy-4-[3-(2-ethoxy-4-formylphenoxy)propoxy]benzaldehyde","Acta Crystallographica Section E","2005","61","12","o4069","o4070","10.1107/S1600536805036299","","","0.71073","MoKα","","0.054","0.037","","","0.088","0.1","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207677","7.068","0.004","16.068","0.009","7.745","0.004","90","","93.171","0.01","90","","878.2","0.8","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-[4-(2-Formyl-6-methoxyphenoxy)butoxy]-3-methoxybenzaldehyde","","- C20 H22 O6 -","- C20 H22 O6 -","- C40 H44 O12 -","2","0.5","TK6285","Diao, Chun-Hua; Fan, Zhi; Yu, Ming; Chen, Xin; Jing, Zuo-Liang","2-[4-(2-Formyl-6-methoxyphenoxy)butoxy]-3-methoxybenzaldehyde","Acta Crystallographica Section E","2005","61","12","o4067","o4068","10.1107/S1600536805036317","","","0.71073","MoKα","","0.071","0.041","","","0.096","0.114","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207678","7.7378","0.0008","16.008","0.0016","7.2599","0.0007","90","","109.115","0.002","90","","849.68","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis(2-methylimidazol-3-ium-1-ylmethyl)benzene dibromide","2,2'-Dimethyl-3,3'-(p-phenylenedimethylene)diimidazol-1-ium dibromide","","- C16 H20 Br2 N4 -","- C16 H20 Br2 N4 -","- C32 H40 Br4 N8 -","2","0.5","TK6286","Liliana Dobrzańska","2,2'-Dimethyl-3,3'-(<i>p</i>-phenylenedimethylene)diimidazol-1-ium dibromide","Acta Crystallographica Section E","2005","61","12","o4113","o4115","10.1107/S1600536805036573","","","0.71073","MoKα","","0.027","0.025","","","0.063","0.064","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207679","10.22","0.009","9.204","0.006","11.386","0.007","90","","90.08","0.03","90","","1071","1.3","296","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(2-Nitrovinyl)-2,3,6,7-tetrahydrobenzo[1,2-b;4,5-b']difuran","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","WK6067","Wei-Ming Xu; Xiu-Rong Hu; Jian-Ming Gu","4-(2-Nitrovinyl)-2,3,6,7-tetrahydrobenzo[1,2-<i>b</i>;4,5-<i>b</i>']difuran","Acta Crystallographica Section E","2005","61","12","o4351","o4352","10.1107/S1600536805038493","","","0.71075","MoKα","","","0.0447","","","","0.1019","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207680","9.049","0.0018","10.242","0.002","11.013","0.002","69.26","0.03","81.68","0.03","64.33","0.03","860.3","0.4","295","","295","","","","","","","","","4","P -1","-P 1","2","","3-[(2-Hydroxyphenyl]amino]-1,3-diphenylprop-2-en-1-one","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C42 H34 N2 O4 -","2","1","WK6068","Yao-Cheng Shi; Su-Hua Zhang","3-[(2-Hydroxyphenyl)amino]-1,3-diphenylprop-2-en-1-one","Acta Crystallographica Section E","2005","61","12","o4362","o4364","10.1107/S1600536805039085","","","0.71073","MoKα","","0.147","0.051","","","0.1173","0.1536","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207681","15.5203","0.0013","7.7786","0.0006","6.4822","0.0005","90","","90","","90","","782.57","0.11","293","2","293","2","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","potassium magnesium hydrogendiphosphate dihydrate","","- H5 K Mg O9 P2 -","- H5 K Mg O9 P2 -","- H20 K4 Mg4 O36 P8 -","4","0.5","WM6097","El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Arriortua, Marcaida Isabel; Urtiaga, Miren Karmele","KMg(HP~2~O~7~).2H~2~O","Acta Crystallographica, Section E","2005","61","12","i275","i277","10.1107/S1600536805036731","","","0.71073","MoKα","","0.0369","0.033","","","0.0862","0.0886","","","","","","1.054","","","","has coordinates","282068","2023-03-26","10:12:40",""
"2207682","11.922","0.001","11.922","0.001","11.922","0.001","90","","90","","90","","1694.5","0.2","293","1","293","1","","","","","","","Diamantina, Minas Gerais, Brazil","5","I a -3 d","-I 4bd 2c 3","230","grossular-andradite","magnesium aluminium silicon calcium titanium manganese iron dodecaoxide","Grossular","- Al1.338 Ca3 Fe0.662 O12 Si3 -","- Al1.338 Ca3 Fe0.662 O12 Si3 -","- Al10.704 Ca24 Fe5.296 O96 Si24 -","8","0.0833333","WM6106","Resende, Jackson Antônio Lamounier Camargos; Fernandes, Nelson G.","X-ray powder refinement of a natural garnet from Diamantina, Minas Gerais, Brazil","Acta Crystallographica, Section E","2005","61","12","i265","i267","10.1107/S1600536805035695","","","1.5405","CuKα~1~","","","","","","","","","","1.47","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"2207683","6.9712","0.0004","6.9712","0.0004","6.2431","0.0004","90","","90","","90","","303.4","0.03","293","2","293","2","","","","","","","Synthetic","3","I 41/a m d :2","-I 4bd 2","141","Ytterbium Arsenate","Ytterbium(III) Oxoarsenate(V)","","- As O4 Yb -","- As O4 Yb -","- As4 O16 Yb4 -","4","0.125","WM6109","Kang, Dong-Hee; Höss, Patrick; Schleid, Thomas","Xenotime-type Yb[AsO~4~]","Acta Crystallographica, Section E","2005","61","12","i270","i272","10.1107/S1600536805036457","","","0.71069","MoKα","","0.0095","0.009","","","0.0226","0.023","","","","","","1.064","","","","has coordinates","282068","2023-03-26","10:12:40",""
"2207684","3.9152","0.0005","20.948","0.003","3.9313","0.0006","90","","90","","90","","322.43","0.08","295","2","295","2","","","","","","","","3","C m m m","-C 2 2","65","Erbium Nickel Trisilicide","Erbium Nickel Trisilicon","","- Er Ni Si3 -","- Er Ni Si3 -","- Er4 Ni4 Si12 -","4","0.25","WM6110","Kończyk, J.; Demchenko, P.; Demchenko, G.; Bodak, O.; Marciniak, B.","Erbium nickel trisilicide, ErNiSi~3~","Acta Crystallographica Section E","2005","61","12","i259","i261","10.1107/S160053680503566X","","","0.71073","MoKα","","0.0166","0.0163","","","0.0396","0.0398","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207685","6.836","0.001","6.836","0.001","4.148","0.0009","90","","90","","120","","167.87","0.05","295","2","295","2","","","","","","","","4","P -6 2 m","P -6 -2","189","Trierbium Nickel Trialuminium Digermanide","Trialuminium trierbium digermanium nickel","","- Al3 Er3 Ge2 Ni -","- Al3 Er3 Ge2 Ni -","- Al3 Er3 Ge2 Ni -","1","0.0833333","WM6111","Demchenko, G.; Kończyk, J.; Demchenko, P.; Bodak, O.; Marciniak, B.","Trierbium nickel trialuminium digermanide, Er~3~NiAl~3~Ge~2~","Acta Crystallographica Section E","2005","61","12","i273","i274","10.1107/S1600536805036779","","","0.71073","MoKα","","0.0282","0.0282","","","0.0731","0.0731","","","","","","1.208","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207686","7.5529","0.0004","7.6961","0.0004","11.3787","0.0005","90","","90.178","0.004","90","","661.42","0.06","299","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Iodic acid‒diiodine pentaoxide (1/1)","","- H I3 O8 -","- H I3 O8 -","- H4 I12 O32 -","4","1","WM6113","Andreas Fischer","Redetermination of HI~3~O~8~, an adduct of formula HIO~3~·I~2~O~5~","Acta Crystallographica Section E","2005","61","12","i278","i279","10.1107/S1600536805037037","","","0.71073","MoKα","","0.021","0.02","","","0.044","0.044","","","","","","1.27","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207687","9.994","0.003","10.541","0.004","12.372","0.006","90","","91.73","0.02","90","","1302.8","0.9","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricaesium tetraselenidoarsenate(V) monohydrate","","- As Cs3 H2 O Se4 -","- As Cs3 H2 O Se4 -","- As4 Cs12 H8 O4 Se16 -","4","1","WM6117","Tobias van Almsick; William S. Sheldrick","Tricaesium tetraselenidoarsenate(V) monohydrate","Acta Crystallographica Section E","2005","61","12","i280","i281","10.1107/S1600536805038055","","","0.71073","MoKα","","0.1276","0.068","","","0.1646","0.2014","","","","","","1.152","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2207688","14.1439","0.0002","9.9908","0.0002","23.2964","0.0004","90","","105.137","0.0009","90","","3177.76","0.1","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[tri-n-butyltin(IV)]-μ-2-{(E)-4-hydroxy-3-[(E)-4- methylphenyliminomethyl]phenyldiazenyl}benzoato-κ^2^O:O']","","- C33 H43 N3 O3 Sn -","- C33 H43 N3 O3 Sn -","- C132 H172 N12 O12 Sn4 -","4","1","WN2001","Linden, Anthony; Basu Baul, Tushar S.; Singh, Keisham S.","<i>catena</i>-Poly[[tri-<i>n</i>-butyltin(IV)]-μ-2-{(<i>E</i>)-4-hydroxy-3-[(<i>E</i>)-4-methylphenyliminomethyl]phenyldiazenyl}benzoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","12","m2711","m2713","10.1107/S1600536805038675","","","0.71073","MoKα","","0.0538","0.0367","","","0.0799","0.088","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2207689","7.7711","0.0016","9.7259","0.0019","9.825","0.004","90","","118.29","0.02","90","","653.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-1,4-bis(pyrimidin-2-ylsulfanyl)but-2-ene","","- C12 H12 N4 S2 -","- C12 H12 N4 S2 -","- C24 H24 N8 S4 -","2","0.5","WN6383","Zhang, Hai-Yue; Sun, Hua; Mu, Shi-Cheng; Wang, Jing-Kang; Chen, Wei","<i>trans</i>-1,4-Bis(pyrimidin-2-ylsulfanyl)but-2-ene","Acta Crystallographica Section E","2005","61","12","o4142","o4143","10.1107/S1600536805031296","","","0.71073","MoKα","","0.1297","0.094","","","0.2293","0.2548","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207690","5.1232","0.0008","9.5108","0.0015","15.566","0.003","85.297","0.003","81.159","0.003","86.289","0.003","745.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N4 O5 -","- C15 H12 N4 O5 -","- C30 H24 N8 O10 -","2","1","WN6391","Yong-Tao Wang; Gui-Mei Tang; Da-Wei Qin","Cocrystal of 2,5-di-4-pyridyl-1,3,4-oxadiazole and malonic acid (1/1)","Acta Crystallographica Section E","2005","61","12","o3979","o3980","10.1107/S1600536805035208","","","0.71073","MoKα","","0.0854","0.0575","","","0.1579","0.1858","","","","","","1.005","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207691","10.3031","0.0016","10.7991","0.0017","17.207","0.003","90","","101.942","0.003","90","","1873.1","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline- 2,5-dione","","- C22 H26 F N O2 -","- C22 H26 F N O2 -","- C88 H104 F4 N4 O8 -","4","1","WN6393","Shujiang Tu; Xiaotong Zhu; Jinpeng Zhang; Jianing Xu; Qian Wang","1-Cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5-dione","Acta Crystallographica Section E","2005","61","12","o4372","o4373","10.1107/S1600536805038936","","","0.71073","MoKα","","0.0837","0.0447","","","0.1011","0.1223","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207692","7.5862","0.0006","10.5414","0.0009","15.6452","0.0013","90","","102.913","0.001","90","","1219.49","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(5-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,5-dihydropyrazol-1-yl)-ethanone","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","1","WN6396","Wang, Shi-Fan; zhu, Wei; Yang, Xian; Zhou, Li-Jun","1-[5-(4-Hydroxy-3-methoxyphenyl)-3-methyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2005","61","12","o3985","o3986","10.1107/S160053680503518X","","","0.71073","MoKα","","0.0629","0.0495","","","0.1335","0.1413","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207693","15.376","0.0003","11.5504","0.0002","26.0798","0.0005","90","","90","","90","","4631.75","0.15","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Diethyl 2-(3,4-dicyanophenyl)-2-[(2-naphthyl)methyl]malonate","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C208 H176 N16 O32 -","8","2","WN6398","Sema Öztürk Yıldırım; Mehmet Akkurt; M. Kasım Şener; Makbule Burkut Koçak; H.-K. Fun","Diethyl 2-(3,4-dicyanophenyl)-2-[(2-naphthyl)methyl]malonate","Acta Crystallographica Section E","2005","61","12","o4101","o4103","10.1107/S1600536805036494","","","0.71073","MoKα","","0.1193","0.0533","","","0.0973","0.1181","","","","","","1.011","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207694","7.165","0.002","16.345","0.002","13.963","0.003","90","","90","","90","","1635.2","0.6","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","10-(3-Methoxybenzylidene)anthrone","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","WN6399","Wei Zhou; Xue-Feng Liu; Wei-Xiao Hu; Chun-Nian Xia","10-(3-Methoxybenzylidene)anthrone","Acta Crystallographica Section E","2005","61","12","o4263","o4265","10.1107/S1600536805038195","","","0.71073","MoKα","","0.1304","0.0534","","","0.1464","0.1841","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207695","14.343","0.002","9.1271","0.0017","12.2913","0.0018","90","","99.46","0.006","90","","1587.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{[2-hydroxy-κO-1,1-bis(hydroxymethyl)ethylamino-κN]acetato-κO}copper(II)","","- C12 H24 Cu N2 O10 -","- C12 H24 Cu N2 O10 -","- C48 H96 Cu4 N8 O40 -","4","1","WW6396","Gao, En-Jun; Ding, Li-Na; Chen, Mao-Sheng; Sun, Ya-Guang; He, Ling-Ling","Bis{[2-hydroxy-κ<i>O</i>-1,1-bis(hydroxymethyl)ethylamino-κ<i>N</i>]acetato-κ<i>O</i>}copper(II)","Acta Crystallographica Section E","2005","61","12","m2720","m2721","10.1107/S1600536805038602","","","0.71073","MoKα","","0.0585","0.0415","","","0.1062","0.1176","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207696","12.77","0.003","8.4986","0.0017","14.568","0.003","90","","100.162","0.006","90","","1556.2","0.6","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-poly[cadmium(II)-μ-1,2-bis(imidazol-1-yl)ethane-κ^2^N^3^:N^3'^- di-μ-1,5-dicyanamido-κ^4^N^1^:N^5^]","","- C12 H10 Cd N10 -","- C12 H10 Cd N10 -","- C48 H40 Cd4 N40 -","4","0.5","WW6418","Zhang, Yong; Wang, Zhao-Hui; Zhang, Yu-Ping; Li, Bao-Long","A novel triple-stranded cadmium(II) polymer chain: <i>catena</i>-poly[cadmium(II)-μ-1,2-bis(imidazol-1-yl)ethane-κ^2^<i>N</i>^3^:<i>N</i>^3'^-di-μ-1,5-dicyanamido-κ^4^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section E","2005","61","12","m2722","m2725","10.1107/S1600536805038626","","","0.71073","MoKα","","0.0216","0.0199","","","0.0527","0.0541","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207697","8.3939","0.001","15.8376","0.0019","9.9983","0.0012","90","","109.821","0.002","90","","1250.4","0.3","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 2-benzyloxy-6-(2-methyl-1,3-dioxolan-2-yl)benzoate monohydrate","","- C12 H16 O6 -","- C12 H16 O6 -","- C48 H64 O24 -","4","1","WW6435","Li, Yuanxiang","Methyl 2-benzyloxy-6-(2-methyl-1,3-dioxolan-2-yl)benzoate monohydrate","Acta Crystallographica Section E","2005","61","12","o4225","o4226","10.1107/S1600536805036676","","","0.71073","MoKα","","0.0583","0.0446","","","0.1319","0.1555","","","","","","1.138","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207698","12.4808","0.0015","12.0528","0.0015","20.146","0.003","90","","107.031","0.004","90","","2897.6","0.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Bromo-1'-ethyl-4-(1-ethyl-3,3-dimethyl-2,3-dimethyl-1H-indolin-2- ylidenemethyl)-3',3'-dimethylspiro[3,4-dihydro-2H-1-benzopyran-2,2'(3'H)- 1H-indoline]","","- C33 H37 Br N2 O -","- C33 H37 Br N2 O -","- C132 H148 Br4 N8 O4 -","4","1","WW6438","Zhang, Feng; Jin, Dan; Zhang, Yong; Zhang, De-Chun","6-Bromo-1'-ethyl-4-(1-ethyl-3,3-dimethyl-1<i>H</i>-indolin-2-ylidenemethyl)-3',3'-dimethylspiro[3,4-dihydro-2<i>H</i>-1-benzopyran-2,2'(3'<i>H</i>)-1'<i>H</i>-indoline], a dicondensed spiropyran","Acta Crystallographica Section E","2005","61","12","o4085","o4087","10.1107/S160053680503624X","","","0.7107","MoKα","","0.0748","0.0568","","","0.117","0.1244","","","","","","1.154","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207699","15.744","0.003","10.956","0.002","15.094","0.003","90","","114.74","0.03","90","","2364.6","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-3-carboxylatophenoxyacetato)bis[aquabis(1H-benzimidazole)dicadmium(II)] dihydrate","","- C46 H44 Cd2 N8 O14 -","- C46 H44 Cd2 N8 O14 -","- C92 H88 Cd4 N16 O28 -","2","0.5","WW6441","Zhao, Hui; Huo, Li-Hua; Gao, Shan; Zhao, Jing-Gui","Bis(μ-3-carboxylatophenoxyacetato)bis[aquabis(1<i>H</i>-benzimidazole)cadmium(II)] dihydrate","Acta Crystallographica Section E","2005","61","12","m2686","m2688","10.1107/S1600536805036895","","","0.71073","MoKα","","0.0667","0.0459","","","0.0979","0.1051","","","","","","1.044","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2207700","12.2603","0.0011","15.2255","0.0012","12.323","0.0011","90","","108.462","0.0011","90","","2181.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Di-tert-butylphosphino)cobaltocenium hexafluorophosphate","","- C18 H27 Co F6 P2 -","- C18 H27 Co F6 P2 -","- C72 H108 Co4 F24 P8 -","4","1","XU6062","Ren, Yong; Yu, Guang-Ao; Liu, Sheng-Hua","(Di-<i>tert</i>-butylphosphino)cobaltocenium hexafluorophosphate","Acta Crystallographica Section E","2005","61","12","m2714","m2715","10.1107/S1600536805038596","","","0.71073","MoKα","","0.081","0.06","","","0.167","0.184","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207701","8.5489","0.0016","9.1426","0.0018","15.213","0.003","90.7","0.003","102.656","0.003","107.516","0.003","1102.4","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","1-Chloromercurio-2-{(2-chlorophenyl)[(3-chlorophenyl)imino]methyl}ferrocene","","- C23 H16 Cl3 Fe Hg N -","- C23 H16 Cl3 Fe Hg N -","- C46 H32 Cl6 Fe2 Hg2 N2 -","2","1","XU6064","Hong-Xing Wang; Hui-Chao Zhou; Hong-Fei Wu; Ying-Jie Li; Feng-Ying Geng","1-Chloromercurio-2-{(2-chlorophenyl)[(3-chlorophenyl)imino]methyl}ferrocene","Acta Crystallographica Section E","2005","61","12","m2570","m2571","10.1107/S1600536805036287","","","0.71073","MoKα","","0.05","0.035","","","0.085","0.094","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207702","7.4046","0.0009","9.6272","0.0011","12.5769","0.0017","81.988","0.005","74.517","0.004","89.581","0.007","855.16","0.18","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","Di-μ-pyridine-2,5-dicarboxylato-1κ^2^N,O^2^:2κO^5^;1κO^5^:2κ^2^N,O^2^- bis[aqua(2,2'-bipyridine-κ^2^N,N')cadmium(II)] dihydrate","","- C34 H30 Cd2 N6 O12 -","- C34 H30 Cd2 N6 O12 -","- C34 H30 Cd2 N6 O12 -","1","0.5","XU6069","Shu-Min Zhao; Tian-Xing Wu; Qing-Sen Yu","Di-μ-pyridine-2,5-dicarboxylato-1κ^2^<i>N</i>,<i>O</i>^2^:2κ<i>O</i>^5^;1κ<i>O</i>^5^:2κ^2^<i>N</i>,<i>O</i>^2^-bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)] dihydrate","Acta Crystallographica Section E","2005","61","12","m2505","m2506","10.1107/S1600536805034914","","","0.71073","MoKα","","0.047","0.044","","","0.125","0.128","","","","","","1.21","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207703","16.6996","0.0008","19.5711","0.0006","22.968","0.0011","90","","90","","90","","7506.6","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","A heterobimetallic zinc(II)/uranium(IV) complex with the Schiff base 2-amino-N,N'-bis(3-hydroxysalicylidene)benzylamine tetrahydrofuran solvate","","- C40 H41 N3 O9 U Zn -","- C40 H41 N3 O9 U Zn -","- C320 H328 N24 O72 U8 Zn8 -","8","1","XU6075","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","A heterobimetallic zinc(II)/uranium(IV) complex with the Schiff base 2-amino-<i>N</i>,<i>N</i>'-bis(3-hydroxysalicylidene)benzylamine","Acta Crystallographica Section E","2005","61","12","m2607","m2609","10.1107/S1600536805035488","","","0.71073","MoKα","","0.118","0.048","","","0.066","0.083","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207704","9.6256","0.0015","15.676","0.003","13.502","0.002","90","","97.223","0.002","90","","2021.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Dimethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17- tetraazadibenzo[a,g]cyclotetradeca-3,9,13,17-tetraene-13,18-dicarboxylato- κ^4^N,N',N''',N'''']copper(II)","","- C22 H18 Cu N4 O6 -","- C22 H18 Cu N4 O6 -","- C88 H72 Cu4 N16 O24 -","4","1","XU6076","He, Jun-Hong; Yue, Lei; Li, Xiao-Zeng; Zhang, Wen-Qin; Liu, Bao-Lin","[Dimethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17-tetraazadibenzo[<i>a</i>,<i>g</i>]cyclotetradeca-3,9,13,17-tetraene-13,18-dicarboxylato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>''',<i>N</i>'''']copper(II)","Acta Crystallographica Section E","2005","61","12","m2709","m2710","10.1107/S160053680503833X","","","0.71073","MoKα","","0.061","0.037","","","0.092","0.105","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207705","7.6164","0.0015","15.542","0.003","15.186","0.003","90","","94.6","0.03","90","","1791.8","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(1,10-phenanthroline-κ^2^N,N')zinc(II)]-μ-3- carboxylatophenoxyacetato-κ^2^O,O':κ^2^O'',O''']","","- C21 H14 N2 O5 Zn -","- C21 H14 N2 O5 Zn -","- C84 H56 N8 O20 Zn4 -","4","1","XU6077","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-3-carboxylatophenoxyacetato-κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2005","61","12","m2520","m2522","10.1107/S1600536805035750","","","0.71073","MoKα","","0.046","0.034","","","0.082","0.088","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207706","11.766","0.003","6.7824","0.0019","14.429","0.004","90","","100.099","0.004","90","","1133.6","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(2,3-dimethylpyrazine 1,4-dioxide-κO)bis(thiocyanato- κN)manganese(II) dihydrate","","- C14 H24 Mn N6 O8 S2 -","- C14 H24 Mn N6 O8 S2 -","- C28 H48 Mn2 N12 O16 S4 -","2","0.5","XU6079","Wu, Chang-Ju; Zhang, Xia; Liu, Lian-Dong; Shi, Jing-Min","Diaquabis(2,3-dimethylpyrazine 1,4-dioxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)manganese(II) dihydrate","Acta Crystallographica Section E","2005","61","12","m2590","m2591","10.1107/S1600536805036524","","","0.71073","MoKα","","0.057","0.044","","","0.105","0.112","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207707","7.8468","0.0016","8.8428","0.0018","9.6395","0.0019","70.08","0.03","75.26","0.03","88.53","0.03","606.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[bromomercury(II)]-di-μ-bromo-κ^4^Br:Br-[bromomercury(II)]- μ-1,4-bis(benzylsulfanyl)butane-κ^2^S:S']","","- C9 H11 Br2 Hg S -","- C9 H11 Br2 Hg S -","- C18 H22 Br4 Hg2 S2 -","2","1","XU6080","Che, Guang-Bo; Liu, Chun-Bo; Cui, Yun-Cheng; Li, Chuan-Bi","<i>catena</i>-Poly[[bromomercury(II)]-di-μ-bromo-κ^4^<i>Br</i>:<i>Br</i>-[bromomercury(II)]-μ-1,4-bis(benzylsulfanyl)butane-κ^2^<i>S</i>:<i>S</i>']","Acta Crystallographica Section E","2005","61","12","m2704","m2705","10.1107/S1600536805038754","","","0.71073","MoKα","","0.055","0.043","","","0.115","0.122","","","","","","1.102","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207708","8.443","0.0005","11.2269","0.0007","15.8025","0.001","99.098","0.001","91.778","0.001","103.189","0.001","1436.53","0.15","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","Bis(2,2'-bipyridine-κ^2^N,N')chlorocopper(II) 3-carboxybenzenesulfonate trihydrate","","- C27 H27 Cl Cu N4 O8 S -","- C27 H27 Cl Cu N4 O8 S -","- C54 H54 Cl2 Cu2 N8 O16 S2 -","2","1","XU6081","Cai, Lei; Xiao, Hong-Ping; Zhu, Long-Guan","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorocopper(II) 3-carboxybenzenesulfonate trihydrate","Acta Crystallographica Section E","2005","61","12","m2546","m2547","10.1107/S1600536805036044","","","0.71073","MoKα","","0.055","0.051","","","0.127","0.13","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","199607","2020-10-21","18:00:00",""
"2207709","14.408","0.002","14.408","","21.63","0.004","90","","90","","120","","3888.6","0.9","295","2","295","2","","","","","","","","5","P 65","P 65","170","","catena-Poly[[[tris(pyridine-κN)copper(II)]-μ-3-carboxylatophenoxyacetato- κ^2^O^3^:O'] trihydrate]","","- C24 H27 Cu N3 O8 -","- C24 H27 Cu N3 O8 -","- C144 H162 Cu6 N18 O48 -","6","1","XU6084","Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[[tris(pyridine-κ<i>N</i>)copper(II)]-μ-3-carboxylatophenoxyacetato-κ^2^<i>O</i>^3^:<i>O</i>'] trihydrate]","Acta Crystallographica Section E","2005","61","12","m2696","m2698","10.1107/S1600536805038316","","","0.71073","MoKα","","0.097","0.073","","","0.138","0.146","","","","","","1.242","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207710","10.8426","0.0011","10.722","0.0011","14.7728","0.0016","100.564","0.002","103.537","0.002","111.743","0.002","1479.9","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","Hexakis[μ~2~-4-(N-n-butylimino)pentan-2-onato]trimagnesium(II)","","- C54 H96 Mg3 N6 O6 -","- C54 H96 Mg3 N6 O6 -","- C54 H96 Mg3 N6 O6 -","1","0.5","YA6262","Matthews, J.S.; Ouattara, T. S.; Butcher, R. J.","Hexakis[μ~2~-4-(<i>N</i>-<i>n</i>-butylimino)pentan-2-onato]trimagnesium(II)","Acta Crystallographica Section E","2005","61","12","m2598","m2600","10.1107/S1600536805033830","","","0.71073","MoKα","","0.128","0.068","","","0.14","0.164","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207711","9.7231","0.0019","15.992","0.002","25.143","0.003","90","","95.23","0.03","90","","3893.3","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diethanol(2-hydroxy-2,2-diphenylacetato)pyridinecopper(II)","","- C42 H44 Cu N2 O8 -","- C42 H44 Cu N2 O8 -","- C168 H176 Cu4 N8 O32 -","4","0.5","YA6268","Zhu, Li-Na; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Diethanol(2-hydroxy-2,2-diphenylacetato)pyridinecopper(II)","Acta Crystallographica Section E","2005","61","12","m2646","m2648","10.1107/S1600536805037281","","","0.71073","MoKα","","0.044","0.037","","","0.111","0.115","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207712","7.4595","0.0008","13.754","0.001","9.723","0.001","90","","108.914","0.001","90","","943.7","0.16","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dimethyl(1,10-phenanthroline)(pyridine-2,6-dicarboxylato)tin","","- C21 H17 N3 O4 Sn -","- C21 H17 N3 O4 Sn -","- C42 H34 N6 O8 Sn2 -","2","0.5","YA6270","Ji-Kun Li; Ru-Fen Zhang; Chun-Lin Ma","Dimethyl(1,10-phenanthroline)(pyridine-2,6-dicarboxylato)tin(IV)","Acta Crystallographica Section E","2005","61","12","m2694","m2695","10.1107/S1600536805037748","","","0.71073","MoKα","","0.028","0.025","","","0.058","0.059","","","","","","1.053","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2238957","8.4996","0.0006","20.1067","0.0014","11.774","0.0008","90","","103.544","0.001","90","","1956.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-sulfamoylbenzoato)bis[chloro(di-2-pyridylamine)copper(II)] dihydrate","","- C34 H34 Cl2 Cu2 N8 O10 S2 -","- C34 H34 Cl2 Cu2 N8 O10 S2 -","- C68 H68 Cl4 Cu4 N16 O20 S4 -","2","0.5","BD6014","Li, Xin-Hua","Bis(μ-4-sulfamoylbenzoato)bis[chloro(di-2-pyridylamine)copper(II)] dihydrate","Acta Crystallographica Section E Structure Reports Online","2005","61","12","m2623","","10.1107/S1600536805036858","","","0.71073","MoKα","","0.0402","0.0355","","","0.0883","0.0911","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2240921","9.685","","9.685","","9.685","","90","","90","","120","","786.737","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Cs4 Sr Sn3 Se9","","- Cs4 Se9 Sn3 Sr -","- Cs4 Se9 Sn3 Sr -","- Cs12 Se27 Sn9 Sr3 -","3","0.333333","","Van Almsick, T.; Sheldrick, W. S.","Tetracesium strontium catena-nona-selenidotristannate(IV)","Acta Crystallographica Section E","2005","61","11","i225","i227","10.1107/S1600536805031090","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2300000","15.7797","0.0004","5.3085","0.0002","9.3757","0.0003","90","","93.357","0.003","90","","784.02","0.04","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-borophenylboronic acid","","- C6 H6 B Br O2 -","- C6 H6 B Br O2 -","- C24 H24 B4 Br4 O8 -","4","1","","Nattamai S. P. Bhuvanesh; Joseph H. Reibenspies; Peter L. Lee; Yuegang Zhang","A novel strategy for <i>ab initio</i> structure determination using micro-powder X-ray diffraction: structure solution and refinement of 3-bromophenylboronic acid and tris(4-bromophenyl)boroxine","Journal of Applied Crystallography","2005","38","4","632","638","10.1107/S0021889805015827","","","0.619383","synchrotron","","","","","","","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300001","18.9289","0.0006","21.8872","0.0006","4.8842","0.0002","90","","90","","90","","2023.53","0.12","295","","295","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tris(4-bromophenyl)boroxine","","- C18 H12 B3 Br3 O3 -","- C18 B3 Br3 O3 -","- C72 B12 Br12 O12 -","4","0.5","","Nattamai S. P. Bhuvanesh; Joseph H. Reibenspies; Peter L. Lee; Yuegang Zhang","A novel strategy for <i>ab initio</i> structure determination using micro-powder X-ray diffraction: structure solution and refinement of 3-bromophenylboronic acid and tris(4-bromophenyl)boroxine","Journal of Applied Crystallography","2005","38","4","632","638","10.1107/S0021889805015827","","","0.619383","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2300093","10.8041","0.0009","21.6945","0.0014","11.395","0.004","90","","117.33","0.03","90","","2372.7","1.1","118","1","118","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tris(2-Picolylamine)-iron(ii) chloride ethanol solvate","tris(2-Picolylamine)-iron(ii) chloride ethanol solvate","","- C20 H30 Cl2 Fe N6 O -","- C20 H30 Cl2 Fe N6 O -","- C80 H120 Cl8 Fe4 N24 O4 -","4","1","","Kusz, Joachim; Schollmeyer, Dieter; Spiering, Hartmunt; Gütlich, Philipp","The LIESST state of [Fe(pic)~3~]Cl~2~.EtOH ‒ the superstructure under continuous irradiation","Journal of Applied Crystallography","2005","38","3","528","536","10.1107/S0021889805009891","","","1.54178","CuKα","","0.1001","0.0754","","","0.1822","0.1965","","","","","","1.134","","","","has coordinates","209668","2020-10-21","18:00:00",""
"2300094","10.7098","0.0017","21.5711","0.0013","11.356","0.004","90","","116.62","0.03","90","","2345.4","1.1","100","1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tris(2-Picolylamine)-iron(ii) chloride ethanol solvate","tris(2-Picolylamine)-iron(ii) chloride ethanol solvate","","- C20 H30 Cl2 Fe N6 O -","- C20 H30 Cl2 Fe N6 O -","- C80 H120 Cl8 Fe4 N24 O4 -","4","1","","Kusz, Joachim; Schollmeyer, Dieter; Spiering, Hartmunt; Gütlich, Philipp","The LIESST state of [Fe(pic)~3~]Cl~2~.EtOH ‒ the superstructure under continuous irradiation","Journal of Applied Crystallography","2005","38","3","528","536","10.1107/S0021889805009891","","","1.54178","CuKα","","0.0853","0.0644","","","0.1598","0.1728","","","","","","1.035","","","","has coordinates","209668","2020-10-21","18:00:00",""
"2300095","10.9348","0.0007","21.9329","0.0016","11.484","0.005","90","","117.59","0.02","90","","2441","1.2","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tris(2-Picolylamine)-iron(ii) chloride ethanol solvate","tris(2-Picolylamine)-iron(ii) chloride ethanol solvate","","- C20 H30 Cl2 Fe N6 O -","- C20 H30 Cl2 Fe N6 O -","- C80 H120 Cl8 Fe4 N24 O4 -","4","1","","Kusz, Joachim; Schollmeyer, Dieter; Spiering, Hartmunt; Gütlich, Philipp","The LIESST state of [Fe(pic)~3~]Cl~2~.EtOH ‒ the superstructure under continuous irradiation","Journal of Applied Crystallography","2005","38","3","528","536","10.1107/S0021889805009891","","","1.54178","CuKα","","0.1053","0.0757","","","0.181","0.1991","","","","","","1.094","","","","has coordinates","209668","2020-10-21","18:00:00",""
"2300096","10.7322","0.0014","21.5055","0.0007","11.323","0.002","90","","117.184","0.017","90","","2324.7","0.6","10","2","10","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tris(2-Picolylamine)-iron(ii) chloride ethanol solvate","tris(2-Picolylamine)-iron(ii) chloride ethanol solvate","","- C20 H30 Cl2 Fe N6 O -","- C20 H30 Cl2 Fe N6 O -","- C80 H120 Cl8 Fe4 N24 O4 -","4","1","","Kusz, Joachim; Schollmeyer, Dieter; Spiering, Hartmunt; Gütlich, Philipp","The LIESST state of [Fe(pic)~3~]Cl~2~.EtOH ‒ the superstructure under continuous irradiation","Journal of Applied Crystallography","2005","38","3","528","536","10.1107/S0021889805009891","","","0.71073","MoKα","","0.073","0.0595","","","0.1237","0.1301","","","","","","1.11","","","","has coordinates","209668","2020-10-21","18:00:00",""
"2300097","21.608","0.0018","21.6945","0.0014","11.395","0.004","90","0.005","117.33","0.03","90","0.005","4745","2","118","2","118","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(2-Picolylamine)-iron(ii) chloride ethanol solvate","tris(2-Picolylamine)-iron(ii) chloride ethanol solvate","","- C40 H60 Cl4 Fe2 N12 O2 -","- C40 H60 Cl4 Fe2 N12 O2 -","- C160 H240 Cl16 Fe8 N48 O8 -","4","1","","Kusz, Joachim; Schollmeyer, Dieter; Spiering, Hartmunt; Gütlich, Philipp","The LIESST state of [Fe(pic)~3~]Cl~2~.EtOH ‒ the superstructure under continuous irradiation","Journal of Applied Crystallography","2005","38","3","528","536","10.1107/S0021889805009891","","","1.54178","CuKα","","0.1468","0.0851","","","0.2121","0.2539","","","","","","0.999","","","","has coordinates","209668","2020-10-21","18:00:00",""
"2300098","10.949","0.003","21.825","0.005","11.37","0.002","90","","118.85","0.02","90","","2379.8","1.1","10","1","10","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tris(2-Picolylamine)-iron(ii) chloride ethanol solvate","tris(2-Picolylamine)-iron(ii) chloride ethanol solvate","","- C20 H30 Cl2 Fe N6 O -","- C20 H30 Cl2 Fe N6 O -","- C80 H120 Cl8 Fe4 N24 O4 -","4","1","","Kusz, Joachim; Schollmeyer, Dieter; Spiering, Hartmunt; Gütlich, Philipp","The LIESST state of [Fe(pic)~3~]Cl~2~.EtOH ‒ the superstructure under continuous irradiation","Journal of Applied Crystallography","2005","38","3","528","536","10.1107/S0021889805009891","","","0.71073","MoKα","","0.1643","0.1392","","","0.2916","0.3084","","","","","","1.176","","","","has coordinates","209668","2020-10-21","18:00:00",""
"2300110","30.960745","","30.960745","","7.519782","","90","","90","","120","","6242.5","","","","","","","","","","","","","2","P 6/m m m","","","","","","?","- O216 Si108 -","- O216 Si108 -","","","ZM5033","Foster, M. D.; Treacy, M. M. J.; Higgins, J. B.; Rivin, I.; Balkovsky, E.; Randall, K. H.","A systematic topological search for the framework of ZSM-10","Journal of Applied Crystallography","2005","38","6","1028","1030","10.1107/S0021889805026038","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300391","10.467","0.0009","10.467","0.0009","8.922","0.0006","90","","90","","90","","977.48","0.14","295","2","295","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","CLBO","CLBO","","- B12 Cs2 Li2 O20 -","- B12 Cs2 Li2 O20 -","- B24 Cs4 Li4 O40 -","2","0.125","","Herreros-Cedrés, Javier; Hernández-Rodriguez, Cecilio; Kaminsky, Werner","Absolute optical rotation of CsLiB6O10","Journal of Applied Crystallography","2005","38","3","544","","10.1107/S0021889805009908","","","0.7107","MoKα","","0.0563","0.0546","","","0.1427","0.1437","","","","","","1.242","","","","has coordinates","176809","2020-10-21","18:00:00",""
"4000496","7.8171","0.0007","13.4926","0.0012","17.3708","0.0016","90","","96.545","0.002","90","","1820.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 In N2 O7 -","- C21 H13 In N2 O7 -","- C84 H52 In4 N8 O28 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047748r","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000497","7.1959","0.0002","9.7542","0.0003","12.8326","0.0004","90","","90","","90","","900.72","0.05","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Co3 H6 O12 S2 -","- Co3 H6 O12 S2 -","- Co12 H24 O48 S8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm047790m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000498","27.646","0.002","27.646","0.002","17.0885","0.0014","90","","90","","90","","13060.8","1.8","293","2","293","2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C4.5 H15 F2 Ge6.44 N1.5 O17 Si0.56 -","- C4.5 H15.5 F2 Ge6.438 N1.5 O17 Si0.57 -","- C72 H248 F32 Ge103.008 N24 O272 Si9.12 -","16","1","","Tang, Liqiu; Dadachov, Mike S.; Zou, Xiaodong","SU-12: A Silicon-Substituted ASU-16 with Circular 24-Rings and Templated by a Monoamine","Chemistry of Materials","2005","17","10","2530","2536","10.1021/cm049373f","","","0.71073","MoKα","","0.057","0.0512","","","0.143","0.1487","","","","","","1.078","","","","has coordinates","178240","2020-10-21","18:00:00",""
"4000499","7.0538","0.0005","7.0538","0.0005","12.9625","0.0014","90","","90","","120","","558.55","0.08","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H2 La Na O9 S2 -","- H2 La Na O9 S2 -","- H6 La3 Na3 O27 S6 -","3","0.5","","Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko","Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates","Chemistry of Materials","2005","17","10","2701","2706","10.1021/cm049451z","","","0.71073","MoKα","","0.0471","0.0362","","","0.0694","0.0722","","","","","","0.961","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000500","6.8816","0.0006","6.8816","0.0006","12.7702","0.0017","90","","90","","120","","523.73","0.1","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- Gd H2 Na O9 S2 -","- Gd H2 Na O9 S2 -","- Gd3 H6 Na3 O27 S6 -","3","0.5","","Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko","Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates","Chemistry of Materials","2005","17","10","2701","2706","10.1021/cm049451z","","","0.71073","MoKα","","0.0707","0.0519","","","0.0868","0.0908","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000501","6.968","0.002","6.968","0.002","12.856","0.006","90","","90","","120","","540.6","0.4","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H2 Na Nd O9 S2 -","- H2 Na Nd O9 S2 -","- H6 Na3 Nd3 O27 S6 -","3","0.5","","Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko","Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates","Chemistry of Materials","2005","17","10","2701","2706","10.1021/cm049451z","","","0.71073","MoKα","","0.0379","0.0313","","","0.0542","0.0554","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000502","9.7739","0.001","9.7739","0.001","7.9456","0.0014","90","","90","","120","","657.34","0.15","298","2","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 La0.72 O12 Sc2.71 Y0.57 -","- B4 La0.72 O12 Sc2.7099 Y0.5701 -","- B12 La2.16 O36 Sc8.1297 Y1.7103 -","3","0.166667","","Ye, Ning; Stone-Sundberg, Jennifer L.; Hruschka, Michael A.; Aka, Gerard; Kong, Wei; Keszler, Douglas A.","Nonlinear Optical Crystal Y~x~La~y~Sc~z~(BO~3~)~4~ (x + y + z = 4)","Chemistry of Materials","2005","17","10","2687","2692","10.1021/cm050090c","","","0.71069","MoKα","","","0.0296","","","","0.0815","","","","","","1.081","","","","has coordinates","178239","2020-10-21","18:00:00",""
"4000503","12.8458","0.001","4.6186","0.001","12.5128","0.001","90","","90","","90","","742.38","0.18","293","2","293","","","","","","","","","3","P m n a","-P 2ac 2","53","Trierbiumpentaborate","Trierbiumpentaborate","","- B5 Er3 O12 -","- B5 Er3 O12 -","- B20 Er12 O48 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.0464","0.0252","","","0.0571","0.0651","","","","","","1.033","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000504","26.865","0.007","26.865","0.007","26.865","0.007","90","","90","","90","","19390","9","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C48 H48 N6 Nd3 O33 -","- C48 H17.88 N5.94 Nd3 O33 -","- C384 H143.04 N47.52 Nd24 O264 -","8","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm050526o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000505","4.70557","","4.70557","","3.15451","","90","","90","","90","","69.848","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- Fe0.26 O4 Sb0.26 Sn1.48 -","- Fe0.26 O4 Sb0.26 Sn1.48 -","- Fe0.26 O4 Sb0.26 Sn1.48 -","1","0.0625","","Govorov, V. A.; Abakumov, A. M.; Rozova, M. G.; Borzenko, A. G.; Vassiliev, S. Yu.; Mazin, V. M.; Afanasov, M. I.; Fabritchnyi, P. B.; Tsirlina, G. A.; Antipov, E. V.; Morozova, E. N.; Gippius, A. A.; Ivanov, V. V.; Tendeloo, G. Van","Sn~2-2x~Sb~x~Fe~x~O~4~ Solid Solutions as Possible Inert Anode Materials in Aluminum Electrolysis","Chemistry of Materials","2005","17","11","3004","3011","10.1021/cm048145i","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000506","17.8461","0.0006","9.9884","0.0004","18.453","0.0007","90","","117.395","0.001","90","","2920.44","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H19 N3 O12 P2 V2 -","- C4 H16.5 N3 O12 P2 V2 -","- C32 H132 N24 O96 P16 V16 -","8","2","","","","Chemistry of Materials","2005","","","","","10.1021/cm050185e","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000507","11.411","0.0009","10.1948","0.0008","17.9768","0.0014","90","","104.019","0.001","90","","2029","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H29 N3 O13 P2 V2 -","- C9 H29 N3 O13 P2 V2 -","- C36 H116 N12 O52 P8 V8 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050185e","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000508","13.151","0.002","10.9634","0.0019","18.312","0.003","90","","96.939","0.004","90","","2620.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H35 N2 O16 P2 V3 -","- C13 H25 N2 O16 P2 V3 -","- C52 H100 N8 O64 P8 V12 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050185e","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000509","16.3569","0.0003","16.3569","0.0003","36.1381","0.0015","90","","90","","90","","9668.7","0.5","294","2","294","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C26 H61.5 K0.5 N4 O26 P4 V5 -","- C26 H54 K0.5 N4 O26 P4 V5 -","- C208 H432 K4 N32 O208 P32 V40 -","8","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050185e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000510","7.7286","0.0002","7.5874","0.0002","17.9816","0.0003","90","","98.214","0.001","90","","1043.62","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Fe2 N O9 P -","- C5 H7 Fe2 N O9 P -","- C20 H28 Fe8 N4 O36 P4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501968","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000511","13.136","0.001","20.139","0.002","41.03","0.003","90","","93.443","0.001","90","","10834.7","1.7","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H168 Mo12 N4 O40 Si -","- C76 H168 Mo12 N4 O40 Si -","- C304 H672 Mo48 N16 O160 Si4 -","4","1","","Nyman, May; Ingersoll, David; Singh, Seema; Bonhomme, François; Alam, Todd M.; Brinker, C. Jeffrey; Rodriguez, Mark A.","Comparative Study of Inorganic Cluster‒Surfactant Arrays","Chemistry of Materials","2005","17","11","2885","2895","10.1021/cm0503174","","","","","","","","","","","","","","","","","","","","","has coordinates","180549","2020-10-21","18:00:00",""
"4000512","15.216","0.005","3.4631","0.0011","15.057","0.005","90","","90","","90","","793.5","0.4","175","5","175","5","","","","","","","","4","P n m a","-P 2ac 2n","62","Thallium Nickel Titanium Sulfide","","","- Ni4 S20 Ti8 Tl6.69 -","- Ni4 S20 Ti8 Tl6.688 -","- Ni4 S20 Ti8 Tl6.688 -","1","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000513","6.431","0.0014","7.5002","0.0016","12.124","0.003","100.553","0.005","93.735","0.005","113.451","0.004","521.2","0.19","175","5","175","5","","","","","","","","4","P -1","-P 1","2","Thallium Indium Phosphorus Selenide","","","- In P2 Se6 Tl -","- In P2 Se6 Tl -","- In2 P4 Se12 Tl2 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000514","11.495","0.002","7.1318","0.0014","19.172","0.004","90","","90","","90","","1571.8","0.5","175","5","175","5","","","","","","","","4","P b c a","-P 2ac 2ab","61","Thallium Lanthanum Germanium Selenide","","","- Ge La Se4 Tl -","- Ge La Se4 Tl -","- Ge8 La8 Se32 Tl8 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000515","6.228","0.005","7.04","0.005","9.012","0.006","106.241","0.013","97.63","0.02","91.926","0.016","375","0.5","175","5","175","5","","","","","","","","4","P -1","-P 1","2","Thallium Titanium Phosphorus Sulfide","","","- P S5 Ti Tl -","- P S5 Ti Tl -","- P2 S10 Ti2 Tl2 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000516","8.539","0.003","8.539","0.003","7.391","0.003","90","","90","","90","","538.9","0.3","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Silver Tin Telluride","","","- Ag4.06 Sn2 Te8 Tl4 -","- Ag4.06 Sn2 Te8 Tl4 -","- Ag4.06 Sn2 Te8 Tl4 -","1","0.0625","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000517","12.164","0.002","7.123","0.0014","8.2703","0.0017","90","","120.178","0.003","90","","619.5","0.2","175","5","175","5","","","","","","","","4","C 1 2/m 1","-C 2y","12","Thallium Gold Phosphorus Selenide","","","- Au P Se3 Tl -","- Au P Se3 Tl -","- Au4 P4 Se12 Tl4 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000518","11.4513","0.0007","11.4513","0.0007","20.071","0.003","90","","90","","90","","2632","0.5","175","5","175","5","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","Thallium Gold Tin Selenide","","","- Au Se3 Sn Tl -","- Au Se3 Sn Tl -","- Au16 Se48 Sn16 Tl16 -","16","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000519","22.964","0.007","6.694","0.002","18.472","0.006","90","","121.199","0.005","90","","2429","1.3","175","5","175","5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thallium Bismuth Phosphorus Sulfide","","","- Bi P2 S7 Tl2 -","- Bi P2 S7 Tl2 -","- Bi8 P16 S56 Tl16 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000520","9.2695","0.0015","6.6748","0.0011","19.639","0.003","90","","98.2","0.005","90","","1202.7","0.3","175","5","175","5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Thallium Cerium Phosphorus Sulfide","","","- Ce P2 S7 Tl2 -","- Ce P2 S7 Tl2 -","- Ce4 P8 S28 Tl8 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000521","7.494","0.002","9.283","0.003","8.522","0.002","90","","90.204","0.006","90","","592.8","0.3","175","5","175","5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Thallium Copper Phosphorus Selenide","","","- Cu P Se3 Tl -","- Cu P Se3 Tl -","- Cu4 P4 Se12 Tl4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000522","5.3794","0.0011","11.268","0.002","13.413","0.003","90","","90","","90","","813","0.3","175","5","175","5","","","","","","","","4","I b a m","-I 2 2c","72","Thallium Copper Tin Sulfide","","","- Cu2 S4 Sn Tl2 -","- Cu2 S4 Sn Tl2 -","- Cu8 S16 Sn4 Tl8 -","4","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000523","8.382","0.003","8.382","0.003","7.118","0.003","90","","90","","90","","500.1","0.3","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Copper Tin Telluride","","","- Cu2 Sn Te4 Tl2 -","- Cu2 Sn Te4 Tl2 -","- Cu4 Sn2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000524","4.344","0.006","4.344","0.006","23.43","0.06","90","","90","","120","","382.9","1.2","173","2","175","5","","","","","","","","4","R -3 m :H","-R 3 2""","166","Thallium Zirconium Tin Telluride","","","- Sn1.62 Te6 Tl3 Zr1.38 -","- Sn1.62 Te6 Tl3 Zr1.38 -","- Sn1.62 Te6 Tl3 Zr1.38 -","1","0.0277778","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000525","9.575","0.002","13.172","0.003","14.998","0.004","90","","96.675","0.005","90","","1878.8","0.8","175","5","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Thallium Niobium Copper Selenide","","","- Cu Nb2 Se12 Tl3 -","- Cu Nb2 Se12 Tl3 -","- Cu4 Nb8 Se48 Tl12 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000526","22.5661","0.0016","6.0324","0.0007","20.295","0.0017","90","","105.662","0.003","90","","2660.1","0.4","175","5","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thallium Titanium Phosphorus Sulfide","","","- P10 S36 Ti4 Tl6 -","- P10 S36 Ti4 Tl6 -","- P20 S72 Ti8 Tl12 -","2","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000527","12.951","0.004","12.951","0.004","13.821","0.006","90","","90","","120","","2007.6","1.2","175","5","175","5","","","","","","","","4","P 3 1 c","P 3 -2c","159","Thallium Silver Titanium Selenide","","","- Ag Se27 Ti6 Tl5 -","- Ag Se27 Ti6 Tl5 -","- Ag2 Se54 Ti12 Tl10 -","2","0.333333","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000528","14.268","0.005","4.1374","0.0014","24.942","0.008","90","","94.422","0.007","90","","1468","0.9","175","5","175","5","","","","","","","","4","P 1 2/m 1","-P 2y","10","Thallium Antimony Copper Selenide","","","- Cu8 Sb11.5 Se27 Tl11.5 -","- Cu8 Sb11.5 Se27 Tl11.5 -","- Cu8 Sb11.5 Se27 Tl11.5 -","1","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000529","27.028","0.006","27.028","0.006","27.028","0.006","90","","90","","90","","19744","8","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C48 H50 N7 O35 Pr3 -","- C48 H6 N6.94 O35.02 Pr3 -","- C384 H48 N55.52 O280.16 Pr24 -","8","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm050526o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000530","4.66455","","4.66455","","3.10913","","90","","90","","90","","67.649","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- Fe0.66 O4 Sb0.66 Sn0.68 -","- Fe0.66 O4 Sb0.66 Sn0.68 -","- Fe0.66 O4 Sb0.66 Sn0.68 -","1","0.0625","","Govorov, V. A.; Abakumov, A. M.; Rozova, M. G.; Borzenko, A. G.; Vassiliev, S. Yu.; Mazin, V. M.; Afanasov, M. I.; Fabritchnyi, P. B.; Tsirlina, G. A.; Antipov, E. V.; Morozova, E. N.; Gippius, A. A.; Ivanov, V. V.; Tendeloo, G. Van","Sn~2-2x~Sb~x~Fe~x~O~4~ Solid Solutions as Possible Inert Anode Materials in Aluminum Electrolysis","Chemistry of Materials","2005","17","11","3004","3011","10.1021/cm048145i","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000531","12.5","0.02","14.17","0.01","15.8","0.02","62.01","0.09","82.3","0.1","76.7","0.1","2405.1","0.5","193.1","","","","","","","","","","","5","P -1","-P 1","2","A dizinc complex of tBu-salen with methanol","","","- C49 H64 N4 O5 Zn2 -","- C49 H64 N4 O5 Zn2 -","- C98 H128 N8 O10 Zn4 -","2","1","","Mizukami, Shin; Houjou, Hirohiko; Sugaya, Kenta; Koyama, Emiko; Tokuhisa, Hideo; Sasaki, Takeshi; Kanesato, Masatoshi","Fluorescence Color Modulation by Intramolecular and Intermolecular π‒π Interactions in a Helical Zinc(II) Complex","Chemistry of Materials","2005","17","1","50","56","10.1021/cm049744s","","","0.7107","MoKα","","","0.076","","","","0.185","","","","","","1.142","","","","has coordinates","178237","2020-10-21","18:00:00",""
"4000532","9.5286","0.0008","10.1451","0.0008","12.5796","0.001","86.429","0.001","69.606","0.001","62.338","0.001","1002.27","0.14","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H18 Ga2 Mn N3 O20 P3 -","- C8 H18 Ga2 Mn N3 O20 P3 -","- C16 H36 Ga4 Mn2 N6 O40 P6 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm049411v","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000533","8.1452","0.0008","8.9029","0.0009","10.4452","0.001","111.437","0.002","103.734","0.002","102.096","0.002","647.06","0.11","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C7 H24 F2 Ga4 Mn N2 O25 P4 -","- C8 F2 Ga4 Mn N2 O24 P4 -","- C8 F2 Ga4 Mn N2 O24 P4 -","1","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm049411v","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000534","18.9522","0.0012","15.9644","0.001","9.0028","0.0006","90","","97.927","0.001","90","","2697.9","0.3","294","2","294","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C5.5 H25.5 F2 Ga4 Mn N1.5 O27 P4 -","- C5 F2 Ga4 Mn O22 P4 -","- C20 F8 Ga16 Mn4 O88 P16 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm049411v","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000535","8.2932","0.0004","9.0002","0.0005","10.1814","0.0005","82.415","0.001","81.08","0.001","78.572","0.001","731.83","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H32 Ga2 N4 O24 P4 V2 -","- C11.994 H20 Ga2 N4 O24 P4 V2 -","- C11.994 H20 Ga2 N4 O24 P4 V2 -","1","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm049411v","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000536","15.8224","0.0007","9.0385","0.0004","17.4504","0.0008","90","","90","","90","","2495.59","0.19","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Ga2 N4 O22 P4 V2 -","- C8 H24 Ga2 N4 O22 P4 V2 -","- C32 H96 Ga8 N16 O88 P16 V8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm049411v","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000537","15.307","0.006","19.782","0.006","16.817","0.007","90","","99.73","0.04","90","","5019","0.3","193.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 N4 O5 Zn2 -","- C52 H68 N4 O5 Zn2 -","- C208 H272 N16 O20 Zn8 -","4","1","","Mizukami, Shin; Houjou, Hirohiko; Sugaya, Kenta; Koyama, Emiko; Tokuhisa, Hideo; Sasaki, Takeshi; Kanesato, Masatoshi","Fluorescence Color Modulation by Intramolecular and Intermolecular π‒π Interactions in a Helical Zinc(II) Complex","Chemistry of Materials","2005","17","1","50","56","10.1021/cm049744s","","","0.7107","MoKα","","","0.049","","","","0.101","","","","","","0.811","","","","has coordinates","178237","2020-10-21","18:00:00",""
"4000538","10.163","0.002","16.856","0.003","26.189","0.005","90","","93.44","0.03","90","","4478.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Fe2 O8 Zn -","- C32 H72 Fe2 O8 Zn -","- C128 H288 Fe8 O32 Zn4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm0401802","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000539","15.089","0.003","5.4096","0.0011","8.0336","0.0016","90","","93.31","0.03","90","","654.7","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H8 Ag2 N2 O6 S2 -","- C10 H8 Ag2 N2 O6 S2 -","- C20 H16 Ag4 N4 O12 S4 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm048471y","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000540","9.0026","0.0004","3.0461","0.0002","10.7268","0.0005","90","","90","","90","","294.16","0.03","","","","","","","","","Prepared at 6 GPa and 1500C for 1hr","Prepared at 6 GPa","","3","P n m a","-P 2ac 2n","62","","","","- Na O4 Rh2 -","- Na O4 Rh2 -","- Na4 O16 Rh8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0483846","","","","","","","","","","","","","","","","","","","","","has coordinates","208200","2020-10-21","18:00:00",""
"4000541","5.257","0.0006","11.4464","0.0014","11.561","0.0014","101.616","0.002","99.158","0.002","98.701","0.002","660.54","0.14","93","","173","2","","","","","","","","3","P -1","-P 1","2","Tin(II) Pyrophosphate","Tin(II) Pyrophosphate","","- O28 P8 Sn8 -","- O7 P2 Sn2 -","- O28 P8 Sn8 -","4","2","","Chernaya, Victoria V.; Mitiaev, Alexander S.; Chizhov, Pavel S.; Dikarev, Evgeny V.; Shpanchenko, Roman V.; Antipov, Evgeny V.; Korolenko, Mikhail V.; Fabritchnyi, Pavel B.","Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~","Chemistry of Materials","2005","17","2","284","290","10.1021/cm048463h","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000542","5.2776","0.0005","11.5413","0.0012","11.636","0.0012","102.911","0.008","99.303","0.008","98.899","0.008","668.2","0.12","293","","293","","","","","","","","","3","P -1","-P 1","2","Tin(II) Pyrophosphate","Tin(II) Pyrophosphate","","- O28 P8 Sn8 -","- O7 P2 Sn2 -","- O28 P8 Sn8 -","4","2","","Chernaya, Victoria V.; Mitiaev, Alexander S.; Chizhov, Pavel S.; Dikarev, Evgeny V.; Shpanchenko, Roman V.; Antipov, Evgeny V.; Korolenko, Mikhail V.; Fabritchnyi, Pavel B.","Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~","Chemistry of Materials","2005","17","2","284","290","10.1021/cm048463h","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000543","7.1765","0.0004","9.2874","0.0006","5.2968","0.0004","90","","106.034","0.0032","90","","339.3","0.05","773","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tin(II) pyrophosphate","Tin(II) pyrophosphate","","- O7 P2 Sn2 -","- O7 P2 Sn2 -","- O14 P4 Sn4 -","2","0.5","","Chernaya, Victoria V.; Mitiaev, Alexander S.; Chizhov, Pavel S.; Dikarev, Evgeny V.; Shpanchenko, Roman V.; Antipov, Evgeny V.; Korolenko, Mikhail V.; Fabritchnyi, Pavel B.","Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~","Chemistry of Materials","2005","17","2","284","290","10.1021/cm048463h","","","","","","","","","","","","","","","","","","","","","has coordinates","270063","2021-10-23","03:58:30",""
"4000544","9.0354","0.0003","3.034","0.0001","10.7062","0.0003","90","","90","","90","","293.49","0.02","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O4 Rh2 -","- Ca O4 Rh2 -","- Ca4 O16 Rh8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0483846","","","","","","","","","","","","","","","","","","","","","has coordinates","208200","2020-10-21","18:00:00",""
"4000545","10.5407","0.0002","6.4298","0.0002","10.6172","0.0003","90","","113.89","0.001","90","","657.93","0.03","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Fe0.5 N O3 P -","- C5 H5 Fe0.5 N O3 P -","- C20 H20 Fe2 N4 O12 P4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm049064p","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000546","11.0337","0.0005","7.1902","0.0003","13.5445","0.0006","90","","90.943","0.001","90","","1074.4","0.08","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 B2 F8 Li2 O6 -","- C12 H28 B2 F8 Li2 O6 -","- C24 H56 B4 F16 Li4 O12 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm048310u","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000547","5.19183","0.00012","5.19183","0.00012","12.9927","0.0004","90","","90","","90","","350.22","0.01","295","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","Iron phosphate hydroxide","","","- Fe1.375 O5 P -","- Fe1.3752 O5 P -","- Fe5.5008 O20 P4 -","4","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm049406r","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000548","8.6126","0.0001","8.6126","0.0001","6.2444","0.0001","90","","90","","90","","463.2","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Antimony Lead Manganese Oxide","","- Mn0.639 O4 Pb1.186 Sb1.175 -","- Mn0.639 O4 Pb1.186 Sb1.175 -","- Mn2.556 O16 Pb4.744 Sb4.7 -","4","0.25","","Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng","","Chemistry of Materials","2005","","","","","10.1021/cm048791h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000549","8.64111","0.00008","8.64111","0.00008","6.07624","0.00008","90","","90","","90","","453.7","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Antimony Lead Manganese Oxide","","- Mn0.92 O4 Pb0.44 Sb1.64 -","- Mn0.92 O4 Pb0.44 Sb1.64 -","- Mn3.68 O16 Pb1.76 Sb6.56 -","4","0.25","","Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng","","Chemistry of Materials","2005","","","","","10.1021/cm048791h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000550","8.62028","0.00009","8.62028","0.00009","6.1609","0.0001","90","","90","","90","","457.8","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Antimony Lead Manganese Oxide","","- Mn0.77 O4 Pb0.75 Sb1.48 -","- Mn0.77 O4 Pb0.75 Sb1.48 -","- Mn3.08 O16 Pb3 Sb5.92 -","4","0.25","","Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng","","Chemistry of Materials","2005","","","","","10.1021/cm048791h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000551","8.60767","0.00008","8.60767","0.00008","6.23142","0.00007","90","","90","","90","","461.7","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Antimony Lead Manganese Oxide","","- Mn0.67 O4 Pb1.07 Sb1.26 -","- Mn0.67 O4 Pb1.07 Sb1.26 -","- Mn2.68 O16 Pb4.28 Sb5.04 -","4","0.25","","Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng","","Chemistry of Materials","2005","","","","","10.1021/cm048791h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000552","5.18029","0.00008","5.18029","0.00008","13.0341","0.0003","90","","90","","90","","349.78","0.01","295","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","Iron phosphate hydroxide","","","- Fe1.176 O5 P -","- Fe1.176 O5 P -","- Fe4.704 O20 P4 -","4","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm049406r","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000553","9.8","0.001","9.8","0.001","7.3193","0.0008","90","","90","","120","","608.77","0.11","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- Ba4 F2 La6 Na0 O24 Si6 -","- Ba3.98 F2 La6.02 O24 Si6 -","- Ba3.98 F2 La6.02 O24 Si6 -","1","0.0833333","","","","Chemistry of Materials","2005","","","","","10.1021/cm048140l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000554","10.078","0.004","13.22","0.01","9.756","0.008","90","","111.36","0.03","90","","1210.6","1.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Cis,cis-2,5-Diphenyl-1,4-distyrylbenzene","","","- C34 H26 -","- C34 H26 -","- C68 H52 -","2","0.5","","Zengqi Xie; Bing Yang; Gang Cheng; Dong Lin; Linlin Liu; Feng He; Yuguang Ma; Shiyong Liu","Supramolecular Interactions Induced Fluorescence in Crystal: Anomalous Emission of 2,5-Diphenyl-1,4-distyrylbenzene with all cis Double Bonds","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000555","9.524","0.004","9.283","0.004","11.969","0.005","90","","92.26","0.03","90","","1057.3","0.8","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 F6 -","- C28 H16 F6 -","- C56 H32 F12 -","2","0.5","","Shinji Ando; Jun-ichi Nishida; Eiichi Fujiwara; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","Novel p-and n-Type Organic Semiconductors with an Anthracene Unit","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000556","16.009","0.004","16.009","0.004","21.785","0.009","90","","90","","120","","4835","2","296.1","","","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 Cr6 N4 O100 P2 W18 -","- C12 Cr6 N4.02 O100 P2 W18 -","- C24 Cr12 N8.04 O200 P4 W36 -","2","0.166667","","Uchida, Sayaka; Kawamoto, Ryosuke; Akatsuka, Takeo; Hikichi, Shiro; Mizuno, Noritaka","Structures and Sorption Properties of Ionic Crystals of Macrocation-Dawson-Type Polyoxometalates with Different Charges","Chemistry of Materials","2005","17","6","1367","1375","10.1021/cm047879s","","","0.7107","MoKα","","","0.042","","","","0.045","","","","","","1.128","","","","has coordinates","178241","2020-10-21","18:00:00",""
"4000557","12.3765","0.0015","7.8142","0.0009","7.733","0.0009","90","","98.867","0.002","90","","738.94","0.15","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Ho2.5 Si7 -","- Co2 Ho2.5 Si7 -","- Co8 Ho10 Si28 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047959w","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000558","12.314","0.0016","7.778","0.001","7.7053","0.001","90","","98.815","0.002","90","","729.28","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co4 Si14 Tm5 -","- Co4 Si14 Tm5 -","- Co8 Si28 Tm10 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm047959w","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000559","12.2552","0.0006","7.7537","0.0007","7.673","0.0011","90","","98.946","0.007","90","","720.24","0.13","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Si7 Yb2.5 -","- Co2 Si7 Yb2.5 -","- Co8 Si28 Yb10 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047959w","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000560","8.7736","0.0003","19.1568","0.0006","15.7834","0.0005","90","","100.106","0.001","90","","2611.62","0.15","150","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H50 Cl8 N4 O14 Pd -","- C43 H50 Cl8 N4 O14 Pd -","- C86 H100 Cl16 N8 O28 Pd2 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0483691","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000561","12.337","0.002","7.799","0.0014","7.7144","0.0015","90","","98.89","0.003","90","","733.3","0.2","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Er2.5 Si7 -","- Co2 Er2.5 Si7 -","- Co8 Er10 Si28 -","4","1","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000562","8.3887","0.0006","8.3887","0.0006","8.0804","0.0008","90","","90","","120","","492.44","0.07","293","2","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K0.96 Na1.04 O7 -","- Al2 B2 K0.959 Na1.041 O6.99 -","- Al6 B6 K2.877 Na3.123 O20.97 -","3","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050142y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4000563","5.864","0.0005","9.024","0.001","6.7515","0.0006","90","","90","","90","","357.27","0.06","293","","","","","","","","","","","4","Xmcm(00\g)000","","","","","","- Cd1.3 Li0.4 O4 V -","","","4","","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000564","5.8676","0.0005","9.0327","0.0008","6.745","0.0006","90","","90","","90","","357.49","0.05","293","","","","","","","","","","","4","Xmcm(00\g)000","","","","","","- Cd1.2857 Li0.4286 O4 V -","","","4","","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000565","5.8705","0.001","9.028","0.002","6.7112","0.0006","90","","90","","90","","355.68","0.1","293","","","","","","","","","","","4","Xmcm(00\g)000","","","","","","- Cd1.25 Li0.5 O4 V -","","","4","","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000566","7.1154","0.0007","7.4994","0.0007","8.3375","0.0008","90","","90","","90","","444.9","0.07","298","2","298","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- Ag2 Ba Se4 Sn -","- Ag2 Ba Se4 Sn -","- Ag4 Ba2 Se8 Sn2 -","2","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050102u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000567","11.1215","0.0013","11.2373","0.0013","6.7531","0.0008","90","","90","","90","","843.97","0.17","298","2","298","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba Cu2 Se4 Sn -","- Ba Cu2 Se4 Sn -","- Ba4 Cu8 Se16 Sn4 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050102u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000568","6.6246","0.0007","13.6012","0.0014","23.097","0.002","90","","94.723","0.002","90","","2074","0.4","298","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba3 Cu1.94 Se10 Sn3 -","- Ba3 Cu1.941 Se10 Sn3 -","- Ba12 Cu7.764 Se40 Sn12 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050102u","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000569","5.9112","0.0004","8.975","0.0005","6.5135","0.0005","90","","90","","90","","345.56","0.04","293","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd Li O4 V -","- Cd Li O4 V -","- Cd4 Li4 O16 V4 -","4","0.25","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000570","5.9006","0.0005","9.0001","0.0006","6.5877","0.0003","90","","90","","90","","349.85","0.04","293","1","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd1.1111 Li0.7778 O4 V -","- Cd1.1111 Li0.7778 O4 V -","- Cd4.4444 Li3.1112 O16 V4 -","4","0.25","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000571","22.447","0.002","10.947","0.0012","14.6431","0.0015","90","","90","","90","","3598.2","0.6","173","2","","","","","","","","","","7","P n a 21","P 2c -2n","33","","(G1)1:LiBETI","","- C8 H10 F10 Li N O6 S2 -","- C8 H10 F10 Li N O6 S2 -","- C64 H80 F80 Li8 N8 O48 S16 -","8","2","","","","Chemistry of Materials","2005","","","","","10.1021/cm047881j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4000572","32.016","0.007","16.227","0.004","19.156","0.005","90","","92.954","0.012","90","","9939","4","98","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","(G2)2:LiTFSI","","- C14 H28 F6 Li N O10 S2 -","- C14 H28 F6 Li N O10 S2 -","- C224 H448 F96 Li16 N16 O160 S32 -","16","4","","","","Chemistry of Materials","2005","","","","","10.1021/cm047881j","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000573","10.694","0.005","10.846","0.005","23.441","0.007","90","","102.48","0.03","90","","2654.6","1.8","173","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(G2)1/2:LiTFSI","","- C20 H28 F24 Li4 N4 O22 S8 -","- C20 H28 F24 Li4 N4 O22 S8 -","- C40 H56 F48 Li8 N8 O44 S16 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm047881j","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000574","9.125","0.003","14.278","0.004","17.443","0.005","88.389","0.005","88.871","0.005","74.54","0.004","2189.5","1","173","2","","","","","","","","","","7","P -1","-P 1","2","","(G3)1:LiBETI","","- C12 H18 F10 Li N O8 S2 -","- C12 H18 F10 Li N O8 S2 -","- C48 H72 F40 Li4 N4 O32 S8 -","4","2","","","","Chemistry of Materials","2005","","","","","10.1021/cm047881j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000575","12.981","0.003","6.1396","0.0012","5.9926","0.0012","90","","90","","90","","477.6","0.16","295","2","295","2","","","","","","","","3","P b c m","-P 2c 2b","57","ytterbium chromium antimonide","ytterbium chromium triantimonide","","- Cr Sb3 Yb -","- Cr Sb3 Yb -","- Cr4 Sb12 Yb4 -","4","0.5","","Crerar, Shane J.; Deakin, Laura; Mar, Arthur","Structure and Physical Properties of Ternary Antimonide YbCr~3~Sb~3~","Chemistry of Materials","2005","17","10","2780","2784","10.1021/cm0506151","","","0.71073","MoKα","","0.071","0.059","","","0.155","0.1613","","","","","","1.173","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000576","12.82","0.003","4.6019","0.0009","12.477","0.003","90","","90","","90","","736.1","0.3","293","2","293","2","","","","","","","","3","P m n a","-P 2ac 2","53","Trituliumpentaborate","Trituliumpentaborate","","- B5 O12 Tm3 -","- B5 O12 Tm3 -","- B20 O48 Tm12 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.0642","0.0376","","","0.0922","0.1001","","","","","","0.814","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000577","12.774","0.003","4.5864","0.0009","12.451","0.003","90","","90","","90","","729.5","0.3","293","2","293","2","","","","","","","","3","P m n a","-P 2ac 2","53","Triytterbiumpentaborate","Triytterbiumpentaborate","","- B5 O12 Yb3 -","- B5 O12 Yb3 -","- B20 O48 Yb12 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.067","0.0445","","","0.0982","0.1084","","","","","","1.182","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000578","12.7651","0.0004","4.575","0.0002","12.4418","0.0004","90","","90","","90","","726.605","0.045","200","2","200","2","","","","","","","","3","P m n a","-P 2ac 2","53","Trilutetiumpentaborate","Trilutetiumpentaborate","","- B5 Lu3 O12 -","- B5 Lu3 O12 -","- B20 Lu12 O48 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.0566","0.029","","","0.0776","0.085","","","","","","0.957","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000579","13.4904","0.0017","16.202","0.002","17.065","0.002","90","","90","","90","","3729.9","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 In N2 O6 -","- C22 H14 In N2 O6 -","- C176 H112 In8 N16 O48 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047748r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000580","13.1446","0.0006","15.4921","0.0008","17.2293","0.0008","90","","100.469","0.001","90","","3450.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 In2 N4 O10 -","- C40 H25 In2 N4 O10 -","- C160 H100 In8 N16 O40 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047748r","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000581","14.26","0.006","14.184","0.006","18.653","0.008","90","","90","","90","","3773","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H11 In N2 O7.25 -","- C19 H13 In N2 O7.25 -","- C152 H104 In8 N16 O58 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047748r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000582","16.3679","0.0003","16.989","0.0003","18.9093","0.0004","90","","90","","90","","5258.19","0.17","150","1","150","1","","","","","","","","7","P b n 21","P 2c -2ab","33","","","","- C50 H29 B F24 N3 O3 Re -","- C50 H29 B F24 N3 O3 Re -","- C200 H116 B4 F96 N12 O12 Re4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047794r","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000583","14.325","0.003","21.482","0.004","28.585","0.006","90","","90.4","0.03","90","","8796","3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- La2 Mo2 O9 -","- La2 Mo2 O9 -","- La96 Mo96 O432 -","48","24","","","","Chemistry of Materials","2005","","","","","10.1021/cm050049+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000584","7.1547","0.0001","7.1547","0.0001","7.1547","0.0001","90","","90","","90","","366.25","0.01","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo1.75 O8.96 W0.25 -","- La2 Mo1.75 O8.96 W0.25 -","- La4 Mo3.5 O17.92 W0.5 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000585","7.1589","0.0007","7.1589","0.0007","7.1589","0.0007","90","","90","","90","","366.9","0.1","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo1.5 O8.96 W0.5 -","- La2 Mo1.5 O8.96 W0.5 -","- La4 Mo3 O17.92 W -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000586","7.154","0.0001","7.154","0.0001","7.154","0.0001","90","","90","","90","","366.1","0","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo1.25 O8.96 W0.75 -","- La2 Mo1.25 O8.96 W0.75 -","- La4 Mo2.5 O17.92 W1.5 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000587","7.1506","0.0001","7.1506","0.0001","7.1506","0.0001","90","","90","","90","","365.6","0","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo O8.96 W -","- La2 Mo O8.96 W -","- La4 Mo2 O17.92 W2 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000588","7.1459","0.0001","7.1459","0.0001","7.1459","0.0001","90","","90","","90","","364.9","0","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo0.8 O8.96 W1.2 -","- La2 Mo0.8 O8.96 W1.2 -","- La4 Mo1.6 O17.92 W2.4 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000589","7.1408","0.0001","7.1408","0.0001","7.1408","0.0001","90","","90","","90","","364.1","0","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo0.6 O8.96 W1.4 -","- La2 Mo0.6 O8.96 W1.4 -","- La4 Mo1.2 O17.92 W2.8 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000590","13.302","0.004","4.0381","0.0011","16.388","0.005","90","","94.347","0.005","90","","877.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag Bi2.66 S5 Sb0.34 -","- Ag Bi2.658 S5 Sb0.34 -","- Ag4 Bi10.632 S20 Sb1.36 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0502931","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000591","13.345","0.003","4.0416","0.0008","16.439","0.003","90","","94.158","0.003","90","","884.3","0.3","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ag Bi3 S5 -","- Ag Bi3 S5 -","- Ag4 Bi12 S20 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0502931","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000592","22.49","0.005","4.8389","0.001","13.824","0.003","90","","99.49","0.03","90","","1483.8","0.5","130","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Guanylurea dicyanamide","","","- C4 H7 N7 O -","- C4 H7 N7 O -","- C32 H56 N56 O8 -","8","1","","Bettina V. Lotsch; Wolfgang Schnick","Thermal Conversion of Guanylurea Dicyanamide into Graphitic Carbon Nitride via Prototype CNx Precursors","Chemistry of Materials","2005","","","","","10.1021/cm050350q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000593","12.5807","0.0013","12.7201","0.0013","13.913","0.0014","90","0.001","108.744","0.002","90","0.002","2108.4","0.4","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- Co2 H4 Mo10 N4 O38 -","- Co Mo5 N2.5 O23 -","- Co4 Mo20 N10 O92 -","4","2","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm0503634","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000594","15.7","0.005","13.05","0.005","26.98","0.005","90","0.005","105.713","0.005","90","0.005","5321","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Co5 Mo5 N5 O14 -","- Co5 Mo10 N9 O54 -","- Co20 Mo40 N36 O216 -","4","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm0503634","","","","","","","","","","","","","","","","","","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4000595","8.0012","0.0001","14.1769","0.0002","14.1819","0.0002","108.005","0.0005","99.8834","0.0005","97.6791","0.0005","1476.98","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Bi Br3 S6 -","- C24 H24 Bi Br3 S6 -","- C48 H48 Bi2 Br6 S12 -","2","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm050377+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000596","12.2882","0.0002","12.5597","0.0001","13.065","0.0002","71.5783","0.0005","86.4844","0.0004","68.5989","0.0005","1777.84","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Bi2 Br6 S6 -","- C24 H24 Bi2 Br6 S6 -","- C48 H48 Bi4 Br12 S12 -","2","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm050377+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000597","8.9547","0.0001","14.8258","0.0001","16.5651","0.0002","103.969","0.0004","100.399","0.0004","94.5313","0.0006","2081.71","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Bi2 Br6 S6 -","- C30 H36 Bi2 Br6 S6 -","- C60 H72 Bi4 Br12 S12 -","2","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm050377+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000598","32.1249","0.0003","16.07","0.0002","22.8463","0.0002","90","","96.4605","0.0003","90","","11719.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H112 Bi4 Br12 S12 -","- C85 H96 Bi4 Br12 S12 -","- C340 H384 Bi16 Br48 S48 -","4","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm050377+","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000599","5.7676","0.0011","8.5369","0.0016","22.949","0.004","100.272","0.004","94.846","0.003","92.07","0.004","1106.3","0.4","253","2","253","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H20 S2 -","- C32 H20 S2 -","- C64 H40 S4 -","2","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm0504889","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4000600","8.0077","0.0008","5.6402","0.0005","23.749","0.002","90","","99.215","0.002","90","","1058.78","0.17","253","2","253","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H20 S2 -","- C30 H20 S2 -","- C60 H40 S4 -","2","0.5","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm0504889","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000601","6.221","0.003","6.221","0.003","21.403","0.002","90","","90","","90","","828.3","0.2","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Al7 La2 Ni -","- Al7.001 La2 Ni0.999 -","- Al28.004 La8 Ni3.996 -","4","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050513a","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000602","11.773","0.003","12.173","0.003","14.493","0.002","62.95","0.05","67.76","0.05","70.49","0.05","1678.9","0.6","105.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H43 N6 O8 -","- C34 H43 N6 O8 -","- C68 H86 N12 O16 -","2","1","","Tomoaki Ise; Daisuke Shiomi; Kazunobu Sato; Takeji Takui","'Syntheses, Crystal Structures and Magnetic Properties of Nitronyl Nitroxide Triradicals Composed of Ground-State Singlet Biradicals and Monoradicals: Molecular Spin Clusters in the Crystal'","Chemistry of Materials","2005","","","","","10.1021/cm050558b","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000603","17.6802","0.0009","10.3712","0.0004","21.565","0.001","90","","96.092","0.003","90","","3931.9","0.3","143.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 N6 O10 -","- C37 H51 N6 O10 -","- C148 H204 N24 O40 -","4","1","","Tomoaki Ise; Daisuke Shiomi; Kazunobu Sato; Takeji Takui","'Syntheses, Crystal Structures and Magnetic Properties of Nitronyl Nitroxide Triradicals Composed of Ground-State Singlet Biradicals and Monoradicals: Molecular Spin Clusters in the Crystal'","Chemistry of Materials","2005","","","","","10.1021/cm050558b","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000604","5.84414","0.00019","5.84414","","14.4089","0.0006","90","","90","","120","","426.189","0.035","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Mg O9 Sb2 -","- Ba3 Mg O9 Sb2 -","- Ba6 Mg2 O18 Sb4 -","2","0.0833333","","Lufaso, Michael W.; Hopkins, Elizabeth; Bell, Steven M.; Llobet, Anna","Crystal chemistry and microwave dielectric properties of Ba~3~MNb~2-x~Sb~x~O~9~ (M = Mg, Ni, Zn)","Chemistry of Materials","2005","17","16","4250","4255","10.1021/cm050631y","","","","","","","","","","","","","","","","","","","","","has coordinates","277948","2022-09-17","22:55:20",""
"4000605","5.85382","0.0001","5.85382","","14.44977","0.00031","90","","90","","120","","428.816","0.018","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 O9 Sb2 Zn -","- Ba3 O9 Sb2 Zn -","- Ba6 O18 Sb4 Zn2 -","2","0.0833333","","Lufaso, Michael W.; Hopkins, Elizabeth; Bell, Steven M.; Llobet, Anna","Crystal chemistry and microwave dielectric properties of Ba~3~MNb~2-x~Sb~x~O~9~ (M = Mg, Ni, Zn)","Chemistry of Materials","2005","17","16","4250","4255","10.1021/cm050631y","","","","","","","","","","","","","","","","","","","","","has coordinates","277948","2022-09-17","22:55:20",""
"4000606","19.421","0.004","3.7296","0.0007","20.57","0.004","90","","108.14","0.03","90","","1415.9","0.5","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diaminoguanidinium azotetrazolate monohydrate","","","- C4 H16 N18 O -","- C4 H16 N18 O -","- C16 H64 N72 O4 -","4","0.5","","Hiskey, Michael A.; Hammerl, Anton; Holl, Gerhard; Klapötke, Thomas M.; Polborn, Kurt; Stierstorfer, Jörg; Weigand, Jan J.","Azidoformamidinium and Guanidinium 5,5'-Azotetrazolate Salts","Chemistry of Materials","2005","","","","","10.1021/cm050684f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000607","9.928","0.002","6.9088","0.0008","10.0255","0.0019","90","","90.158","0.017","90","","687.6","0.2","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N20 -","- C4 H8 N20 -","- C8 H16 N40 -","2","0.5","","Hiskey, Michael A.; Hammerl, Anton; Holl, Gerhard; Klapötke, Thomas M.; Polborn, Kurt; Stierstorfer, Jörg; Weigand, Jan J.","Azidoformamidinium and Guanidinium 5,5'-Azotetrazolate Salts","Chemistry of Materials","2005","","","","","10.1021/cm050684f","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000608","7.1981","0.0007","11.962","0.0012","17.4481","0.0018","90","","90","","90","","1502.3","0.3","298","2","298","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C4 H8 Ag N2 O3.5 -","- C4 H3 Ag N2 O3.5 -","- C32 H24 Ag8 N16 O28 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050739d","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000609","7.5756","0.0004","5.4207","0.0002","12.5711","0.0006","90","","117.506","0.003","90","","457.9","0.1","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 Ag N2 O -","- C4 H3 Ag N2 O -","- C16 H12 Ag4 N8 O4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050739d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000610","19.9772","0.0007","39.3924","0.0015","3.539","0.0001","90","","90","","90","","2785.4","0.2","298","","298","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C4 H5 Ag N4 O3 -","- C4 H2 Ag N4 O3 -","- C64 H32 Ag16 N64 O48 -","16","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050739d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000611","5.6054","0.0002","8.3407","0.0003","13.7479","0.0006","90","","93.333","0.003","90","","641.7","0.1","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H2 Ag N3 O3 -","- C4 H2 Ag N3 O -","- C8 H4 Ag2 N6 O2 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050739d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000612","12.7484","0.0014","24.891","0.003","9.2115","0.001","90","","90","","90","","2923","0.5","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba7 Se13 Sn3 -","- Ba7 Se13 Sn3 -","- Ba28 Se52 Sn12 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050787y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000613","12.9596","0.0006","25.2417","0.0011","9.292","0.0004","90","","90","","90","","3039.6","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba7 Se10.76 Sn3 Te2.24 -","- Ba7 Se10.755 Sn3 Te2.245 -","- Ba28 Se43.02 Sn12 Te8.98 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050787y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000614","12.9244","0.0006","25.1831","0.0012","9.2746","0.0004","90","","90","","90","","3018.7","0.2","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba7 Se11.24 Sn3 Te1.75 -","- Ba7 Se11.243 Sn3 Te1.757 -","- Ba28 Se44.972 Sn12 Te7.028 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050787y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000615","12.845","0.003","25.098","0.006","9.2421","0.0015","90","","90","","90","","2979.6","1.1","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba7 Se11.9 Sn3 Te1.1 -","- Ba7 Se11.897 Sn3 Te1.103 -","- Ba28 Se47.588 Sn12 Te4.412 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050787y","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000616","9.3338","0.0007","10.0713","0.0008","14.1923","0.0011","90","","95.1","0.001","90","","1328.84","0.18","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","exo-Ph-pyrrole","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050803r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000617","5.97469","0.00017","6.11883","0.00017","8.53249","0.00024","90","","90","","90","","311.932","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- O Pr0.33 Sr0.32 -","- O Pr0.333333 Sr0.321 -","- O12 Pr4 Sr3.852 -","12","1.5","","Thundathil, Mary A.; Jones, Camille Y.; Snyder, G. Jeffrey; Haile, Sossina M.","Nonstoichiometry, Structure, and Electrical Properties of ""SrPrO~3~""","Chemistry of Materials","2005","17","20","5146","5154","10.1021/cm050895k","powder diffraction","neutron","1.5398","","","","","","","","","0.04961","","1.17","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000618","5.988","0.00017","6.12136","0.00017","8.54858","0.00024","90","","90","","90","","313.346","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- O3 Pr Sr0.96 -","- O3 Pr Sr0.963 -","- O12 Pr4 Sr3.852 -","4","0.5","","Thundathil, Mary A.; Jones, Camille Y.; Snyder, G. Jeffrey; Haile, Sossina M.","Nonstoichiometry, Structure, and Electrical Properties of ""SrPrO~3~""","Chemistry of Materials","2005","17","20","5146","5154","10.1021/cm050895k","powder diffraction","neutron","1.5398","","","","","","","","","0.03313","","1.14","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000619","14.739","0.0017","7.0271","0.0005","6.0959","0.0007","90","","99.209","0.014","90","","623.23","0.11","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C30 H26 N2 O8 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050929o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000620","16.002","0.002","16.002","0.002","6.04","0.0012","90","","90","","120","","1339.4","0.4","173","2","173","2","","","","","","","","4","P 32","P 32","145","","","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C60 H78 N6 O3 -","3","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050929o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000621","9.5669","0.0002","9.5023","0.0002","10.3717","0.0003","90","","93.474","0.002","90","","941.13","0.04","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Ca O6 P2 -","- Ca O6 P2 -","- Ca8 O48 P16 -","8","2","","","Synthesis and structure of a calcium polyphosphate with a unique criss-cross arrangement of helical phosphate chains","Chemistry of Materials","2005","","","","","10.1021/cm050984x","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000622","10.086","0.002","17.585","0.005","10.811","0.003","90","","111.538","0.007","90","","1783.5","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H54 Cu4 P2 S4 -","- C22 H54 Cu4 P2 S4 -","- C44 H108 Cu8 P4 S8 -","2","0.5","","","Synthesis and structure of a calcium polyphosphate with a unique criss-cross arrangement of helical phosphate chains","Chemistry of Materials","2005","","","","","10.1021/cm051175g","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000623","10.769","0.003","13.454","0.003","21.964","0.005","94.124","0.004","92.615","0.004","101.141","0.004","3108.6","1.3","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H85 O P4 Pt2 -","- C61 H85 O P4 Pt2 -","- C122 H170 O2 P8 Pt4 -","2","1","","","Synthesis and structure of a calcium polyphosphate with a unique criss-cross arrangement of helical phosphate chains","Chemistry of Materials","2005","","","","","10.1021/cm0512878","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000624","11.00922","0.00019","11.40631","0.00019","3.94327","0.00006","90","","90","","90","","495.175","0.021","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- La2 O5 Ti -","- La2 O5 Ti -","- La8 O20 Ti4 -","4","0.5","","Martín-Sedeño, M. C.; Marrero-López, D.; Losilla, E. R.; León-Reina, L.; Bruque, S.; Núñez, P.; Aranda, M. A. G.","Structural and electrical investigation of oxide ion and proton conducting titanium cuspidines","Chemistry of Materials","2005","17","24","5989","5998","10.1021/cm051117v","powder diffraction","","","","","","","","","","","","","2.17","","","","","","","has coordinates","277952","2022-09-18","01:03:30",""
"4000625","7.96293","0.00015","11.09998","0.00023","11.8294","0.0004","90","","109.689","0.004","90","","984.45","0.05","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga0.25 La O2.39 Ti0.25 -","- Ga0.24825 La O2.385 Ti0.25175 -","- Ga3.972 La16 O38.16 Ti4.028 -","16","4","","Martín-Sedeño, M. C.; Marrero-López, D.; Losilla, E. R.; León-Reina, L.; Bruque, S.; Núñez, P.; Aranda, M. A. G.","Structural and electrical investigation of oxide ion and proton conducting titanium cuspidines","Chemistry of Materials","2005","17","24","5989","5998","10.1021/cm051117v","powder diffraction","","","","","","","","","","","","","3.02","","","","","","","has coordinates","277951","2022-09-18","00:39:59",""
"4000626","8.00474","0.00033","11.1123","0.0005","11.8456","0.0008","90","","109.788","0.008","90","","991.46","0.11","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga0.25 La O2.37 Ti0.25 -","- Ga0.25 La O2.365 Ti0.25 -","- Ga4 La16 O37.84 Ti4 -","16","4","","Martín-Sedeño, M. C.; Marrero-López, D.; Losilla, E. R.; León-Reina, L.; Bruque, S.; Núñez, P.; Aranda, M. A. G.","Structural and electrical investigation of oxide ion and proton conducting titanium cuspidines","Chemistry of Materials","2005","17","24","5989","5998","10.1021/cm051117v","powder diffraction","neutron","1.88035","","","","","","","","","0.04019","","1.48","","","","","","","has coordinates","277952","2022-09-18","01:03:30",""
"4000627","14.5452","0.0007","14.5452","0.0007","28.524","0.002","90","","90","","90","","6034.6","0.6","173","2","173","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C38 H0 F6 I6 N5 O4 Pr S2 -","- C38 H80 F6 I6 N5 O4 Pr S2 -","- C152 H320 F24 I24 N20 O16 Pr4 S8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051137x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000628","14.648","0.002","14.648","0.002","28.469","0.005","90","","90","","90","","6108.4","1.6","173","2","173","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C38 H80 F6 I6 N5 O4 Pr S2 -","- C38 H80 F6 I6 N5 O4 Pr S2 -","- C152 H320 F24 I24 N20 O16 Pr4 S8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051137x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000629","12.3204","0.0012","12.4261","0.0014","22.64","0.002","94.44","0.009","102.632","0.008","105.792","0.008","3219.8","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H40 F30 N7 O20 Pr S10 -","- C28.21 H40 F30 N7 O20 Pr S10 -","- C56.42 H80 F60 N14 O40 Pr2 S20 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm051137x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4000630","7.2765","0.0002","7.5673","0.0001","11.2579","0.0003","86.385","0.001","80.176","0.002","61.485","0.001","536.59","0.02","78","2","78","2","","","","","","","","4","P -1","-P 1","2","azoxy dimer of 2-(2',4'-dinitrobenzyl)pyridine","","","- C24 H18 N6 O5 -","- C24 H18 N6 O5 -","- C24 H18 N6 O5 -","1","0.5","","Yuji Ohashi; Kenji Sakurai; Ng, Seik Weng","","Chemistry of Materials","2005","","","","","10.1021/cm051145d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","198544","2020-10-21","18:00:00",""
"4000631","9.9484","0.0005","4.1968","0.0002","25.6637","0.0013","90","","92.623","0.002","90","","1070.37","0.09","78","2","78","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","azoxy dimer of 2-(2',4'-dinitrobenzyl)pyridine","","","- C24 H18 N6 O5 -","- C24 H18 N6 O5 -","- C48 H36 N12 O10 -","2","0.5","","Yuji Ohashi; Kenji Sakurai; Ng, Seik Weng","","Chemistry of Materials","2005","","","","","10.1021/cm051145d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000632","4.279","0.0006","4.279","0.0006","9.235","0.001","90","","90","","90","","169.09","0.04","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Ho Ni0.6 Sb2 -","- Ho Ni0.597 Sb2 -","- Ho2 Ni1.194 Sb4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000633","4.31","0.0009","4.31","0.0009","9.397","0.0016","90","","90","","90","","174.56","0.06","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Gd Ni0.63 Sb2 -","- Gd Ni0.631 Sb2 -","- Gd2 Ni1.262 Sb4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm051196a","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000634","4.291","0.0007","4.291","0.0007","9.322","0.0014","90","","90","","90","","171.64","0.05","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Ni0.6 Sb2 Tb -","- Ni0.596 Sb2 Tb -","- Ni1.192 Sb4 Tb2 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm051196a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000635","4.284","0.0005","4.284","0.0005","9.266","0.0012","90","","90","","90","","170.06","0.04","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Dy Ni0.59 Sb2 -","- Dy Ni0.592 Sb2 -","- Dy2 Ni1.184 Sb4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm051196a","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000637","4.275","0.005","4.275","0.005","9.2","0.011","90","","90","","90","","168.1","0.3","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Er Ni0.53 Sb2 -","- Er Ni0.53 Sb2 -","- Er2 Ni1.06 Sb4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm051196a","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000638","14.241","0.004","10.358","0.003","18.104","0.005","90","","110.074","0.004","90","","2508.4","1.1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 F12 Mg N2 O4 -","- C18 H21 F12 Mg N2 O4 -","- C72 H84 F48 Mg4 N8 O16 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm0512528","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000639","10.985","0.002","13.6047","0.0018","16.897","0.003","90","","90.479","0.014","90","","2525.1","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 F12 Mg N2 O4 -","- C18 H22 F12.003 Mg N2 O4 -","- C72 H88 F48.012 Mg4 N8 O16 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm0512528","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000640","9.1241","0.0014","14.6756","0.0014","17.772","0.002","90","","102.225","0.003","90","","2325.7","0.5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 F12 Mg N2 O4 -","- C16 H18 F12 Mg N2 O4 -","- C64 H72 F48 Mg4 N8 O16 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0512528","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000641","12.17","0.005","15.244","0.006","19.126","0.007","90","","100.156","0.006","90","","3493","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 F18 Mg N2 O6 -","- C25 H27 F18 Mg N2 O6 -","- C100 H108 F72 Mg4 N8 O24 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm0512528","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000642","5.9035","0.0001","5.9035","0.0001","5.9035","0.0001","90","","90","","90","","205.746","0.003","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Li4ZnP2","","","- Li4 P2 Zn -","- Li4 P2 Zn -","- Li8 P4 Zn2 -","2","0.0104167","","Marie-Pierre Bichat; Jean-Louis Pascal; Frederic Gillot; Frederic Favier","","Chemistry of Materials","2005","","","","","10.1021/cm0513379","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","208236","2020-10-21","18:00:00",""
"4000643","2.7709","0.0008","2.7709","0.0008","4.3785","0.0009","90","","90","","120","","29.09","0.02","298","","298","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Li Zn4 -","- Li0.2 Zn0.8 -","- Li0.4 Zn1.6 -","2","0.0833333","","Marie-Pierre Bichat; Jean-Louis Pascal; Frederic Gillot; Frederic Favier","","Chemistry of Materials","2005","","","","","10.1021/cm0513379","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000644","8.7433","0.0005","20.7448","0.0011","34.3664","0.0018","90","","90","","90","","6233.3","0.6","275","2","275","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Perles, Josefina; Iglesias, Marta; Martín-Luengo, Maria-Ángeles; Monge, M. Ángeles; Ruiz-Valero, Caridad; Snejko, Natalia","Metal−Organic Scandium Framework: Useful Material for Hydrogen Storage and Catalysis","Chemistry of Materials","2005","17","23","5837","5842","10.1021/cm051362e","","","","","","","","","","","","","","","","","","","","","has coordinates","192410","2020-10-21","18:00:00",""
"4000645","13.064","0.002","12.7709","0.0014","19.98","0.004","90","","103.971","0.013","90","","3234.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H112 N24 Si6 Ti2 -","- C36 H112 N24 Si6 Ti2 -","- C72 H224 N48 Si12 Ti4 -","2","0.5","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000646","9.22","0.003","11.433","0.003","11.776","0.003","79.169","0.005","86.376","0.007","90.256","0.008","1216.6","0.6","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Br2 N2 S2 -","- C24 H30 Br2 N2 S2 -","- C48 H60 Br4 N4 S4 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm051561y","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000647","4.7658","0.0009","8.318","0.004","15.109","0.007","80.49","0.03","82.94","0.03","76.76","0.02","572.8","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 F2 S2 -","- C26 H32 F2 S2 -","- C26 H32 F2 S2 -","1","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051563i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000648","20.705","0.006","8.9432","0.0007","8.1539","0.0001","90","","94.192","0.007","90","","1505.8","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 S4 -","- C34 H38 S4 -","- C68 H76 S8 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051563i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000649","7.3811","0.0014","7.3811","0.0014","4.2637","0.0016","90","","90","","90","","232.29","0.11","120","2","120","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ge2 In Sm2 -","- Ge2 In Sm2 -","- Ge4 In2 Sm4 -","2","0.125","","Tobash, Paul H.; Bobev, Svilen","Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)","Chemistry of Materials","2005","","","","","10.1021/cm051618g","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000650","7.3394","0.0008","7.3394","0.0008","4.2296","0.0009","90","","90","","90","","227.83","0.06","120","2","120","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Gd2 Ge2 In -","- Gd2 Ge2 In -","- Gd4 Ge4 In2 -","2","0.125","","Tobash, Paul H.; Bobev, Svilen","Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)","Chemistry of Materials","2005","","","","","10.1021/cm051618g","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000651","7.32","0.0012","7.32","0.0012","4.1999","0.0013","90","","90","","90","","225.04","0.09","120","2","120","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ge2 In Tb2 -","- Ge2 In Tb2 -","- Ge4 In2 Tb4 -","2","0.125","","Tobash, Paul H.; Bobev, Svilen","Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)","Chemistry of Materials","2005","","","","","10.1021/cm051618g","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000652","7.2961","0.0014","7.2961","0.0014","4.1694","0.0017","90","","90","","90","","221.95","0.11","120","2","120","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Dy2 Ge2 In -","- Dy2 Ge2 In -","- Dy4 Ge4 In2 -","2","0.125","","Tobash, Paul H.; Bobev, Svilen","Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)","Chemistry of Materials","2005","","","","","10.1021/cm051618g","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000653","7.2457","0.0012","7.2457","0.0012","4.1541","0.0014","90","","90","","90","","218.09","0.09","120","2","120","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ge2 Ho2 In -","- Ge2 Ho2 In -","- Ge4 Ho4 In2 -","2","0.125","","Tobash, Paul H.; Bobev, Svilen","Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)","Chemistry of Materials","2005","","","","","10.1021/cm051618g","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000654","7.1985","0.0016","7.1985","0.0016","4.3026","0.0019","90","","90","","90","","222.95","0.12","120","2","120","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ge2 In Yb2 -","- Ge2 In Yb2 -","- Ge4 In2 Yb4 -","2","0.125","","Tobash, Paul H.; Bobev, Svilen","Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)","Chemistry of Materials","2005","","","","","10.1021/cm051618g","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000655","7.1664","0.0001","28.4756","0.0006","8.5418","0.0002","90","","104.976","0.001","90","","1683.9","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs3 Eu O15 Si6 -","- Cs3 Eu O15 Si6 -","- Cs12 Eu4 O60 Si24 -","4","1","","Huang, Meow-Yu; Chen, Yi-Hsiu; Chang, Bor-Chen; Lii, Kwang-Hwa","High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structure, and Luminescence Properties of Cs~3~EuSi~6~O~15~, a Europium(III) Silicate with a Three-Dimensional Framework Structure","Chemistry of Materials","2005","17","23","5743","5747","10.1021/cm051703o","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000656","5.5414","0.0009","5.4986","0.0009","28.81","0.005","90","","90","","90","","877.8","0.4","600","","","","","","","","","","","4","B b m m","-B 2 2b","63","","","","- Fe3 Nd O9 Sr3 -","- Fe3 O9.02 Sr4 -","- Fe12 O36.08 Sr16 -","4","0.25","","Barrier, N.; Pelloquin, D.; Nguyen, N.; Giot, M.; Bourrée, F.; Raveau, B.","Ferrite Sr~3~NdFe~3~O~9~: An Original Intergrowth between the Brownmillerite and K~2~NiF~4~-type Structures","Chemistry of Materials","2005","17","26","6619","6623","10.1021/cm051729f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","203895","2020-10-21","18:00:00",""
"4000657","8.3825","0.0019","8.3825","0.0019","7.0775","0.0018","90","","90","","90","","497.3","0.2","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Cadmium Germanium Telluride","","","- Cd Ge Te4 Tl2 -","- Cd Ge Te4 Tl2 -","- Cd2 Ge2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm0518067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000658","8.425","0.0004","8.425","0.0004","7.2171","0.0005","90","","90","","90","","512.27","0.05","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Cadmium Tin Telluride","","","- Cd Sn Te4 Tl2 -","- Cd Sn Te4 Tl2 -","- Cd2 Sn2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm0518067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000659","8.3571","0.0011","8.3571","0.0011","7.0684","0.0014","90","","90","","90","","493.67","0.13","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Mercury Germanium Telluride","","","- Ge Hg Te4 Tl2 -","- Ge Hg Te4 Tl2 -","- Ge2 Hg2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm0518067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000660","8.397","0.004","8.397","0.004","7.157","0.006","90","","90","","90","","504.6","0.5","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Mercury Tin Telluride","","","- Hg Sn Te4 Tl2 -","- Hg Sn Te4 Tl2 -","- Hg2 Sn2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm0518067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000661","8.399","0.003","8.399","0.003","6.963","0.003","90","","90","","90","","491.2","0.3","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Manganese Germanium Telluride","","","- Ge Mn Te4 Tl2 -","- Ge Mn Te4 Tl2 -","- Ge2 Mn2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm0518067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000662","8.4503","0.0013","8.4503","0.0013","7.1078","0.0015","90","","90","","90","","507.55","0.15","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Manganese Tin Telluride","","","- Mn Sn Te4 Tl2 -","- Mn Sn Te4 Tl2 -","- Mn2 Sn2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm0518067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000663","88.86899","","88.86899","","88.86899","","90","","90","","90","","701860","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C H Cr O -","- C6528 Cr816 O8560 -","- C6528 Cr816 O8560 -","","","","Lebedev, O. I.; Millange, F.; Serre, C.; Van Tendeloo, G.; Férey, G.","First direct imaging of giant pores of the Metal-Organic Framework MIL-101","Chemistry of Materials","2005","","","","","10.1021/cm051870o","powder diffraction","","","","","","","","","","","","5.6408","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000664","8.6048","0.0011","8.4436","0.0011","16.095","0.002","90","","90","","90","","1169.4","0.3","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","9,10-Dimethoxyanthracene","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051874t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000665","5.195","0.0018","7.458","0.003","9.002","0.003","74.066","0.005","73.691","0.004","89.762","0.005","320.87","0.19","173","","173","","","","","","","","","3","P -1","-P 1","2","9,10-Bis(methylthio)anthracene","","","- C16 H14 S2 -","- C16 H14 S2 -","- C16 H14 S2 -","1","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051874t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000666","20.24","0.003","5.7906","0.0007","15.698","0.002","90","","129.482","0.001","90","","1420","0.3","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","9,10-Bis(methyltelluro)anthracene","","","- C16 H14 Te2 -","- C16 H14 Te2 -","- C64 H56 Te8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051874t","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000667","23.262","0.004","10.0197","0.0019","15.761","0.003","90","","94.638","0.003","90","","3661.5","1.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","9,10-Bis(methyltelluro)anthracene-AgNO3","","","- C16 H14 Ag N O3.5 Te2 -","- C16 H14 Ag N O3.5 Te2 -","- C128 H112 Ag8 N8 O28 Te16 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm051874t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000668","20.7116","0.0014","6.8564","0.0005","10.5497","0.0007","90","","90","","90","","1498.13","0.18","193","2","193","2","","","","","","","","5","C m c 21","C 2c -2","36","cesium uranyl vanadyl phosphate","","","- Cs2 O14.59 P2 U V2 -","- Cs2 O14.59 P2 U V2 -","- Cs8 O58.36 P8 U4 V8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm052079i","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000669","12.2831","0.0004","6.368","0.0001","10.2245","0.0003","90","","105.064","0.001","90","","772.27","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Mn N18 -","- C8 H8 Mn N18 -","- C16 H16 Mn2 N36 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0521830","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001602","16.4176","0.0009","16.4176","","77.83","0.004","90","","90","","120","","18167.6","1.4","150","2","150","2","","","","","","","","6","P 65","P 65","170","","","","- C42.33 H52.67 Br Cl0.67 N O3 -","- C42 H52 Br N O3 -","- C756 H936 Br18 N18 O54 -","18","3","","Melville, James L.; Lovelock, Kevin R. J.; Wilson, Claire; Allbutt, Bryan; Burke, Edmund K.; Lygo, Barry; Hirst, Jonathan D.","Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D Quantitative Structure−Selectivity Relationships","Journal of Chemical Information and Modeling","2005","45","4","971","","10.1021/ci050051l","","","0.71073","MoKα","","0.1964","0.0923","","","0.2454","0.2839","","","","","","0.968","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001603","10.3704","0.0012","11.6816","0.0013","15.3131","0.0019","90","","90","","90","","1855.1","0.4","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H28 B F4 Li O6 -","- C12 H28 B F4 Li O6 -","- C48 H112 B4 F16 Li4 O24 -","4","0.5","","Andreev, Yuri G.; Seneviratne, Varuni; Khan, Masood; Henderson, Wesley A.; Frech, Roger E.; Bruce, Peter G.","Crystal Structures of Poly(Ethylene Oxide)3:LiBF4and (Diglyme)n:LiBF4(n= 1,2)","Chemistry of Materials","2005","17","4","767","","10.1021/cm048310u","","","0.71073","MoKα","","0.1005","0.0579","","","0.1407","0.1686","","","","","","1.027","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001736","6.7147","","6.7147","","6.4688","","90","","90","","120","","252.585","","","","","","","","","","","","","4","P 32","P 32","145","","Bi B2 O4 F","","- B2 Bi F O4 -","- B2 Bi F O4 -","- B6 Bi3 F3 O12 -","3","1","","Li, G.; Lin, J.; Wang, Y.; Li, L.; Liao, F.","Bismuth borates: One-dimensional borate chains and nonlinear optical properties","Chemistry of Materials (1,1989-)","2005","17","","4174","4180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002373","7.149","","7.149","","7.149","","90","","90","","90","","365.373","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","La2 Mo1.9 Cr0.1 O8.96","","- Cr0.1 La2 Mo1.9 O8.96 -","- Cr0.1 La2 Mo1.9 O8.96 -","- Cr0.2 La4 Mo3.8 O17.92 -","2","0.166667","","Corbel, G.; Goutenoire, F.; Laligant, Y.; Suard, E.; Lacorre, P.","Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the crystal structure of the fast oxide-ion conductor structural effects of W(6+)","Chemistry of Materials (1,1989-)","2005","17","","4678","4684","","","","","","","","","","","","","","","","","","","","","","has coordinates","150610","2020-10-21","18:00:00",""
"4002374","7.1463","","7.1463","","7.1463","","90","","90","","90","","364.959","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","La2 Mo1.8 Cr0.2 O8.90","","- Cr0.2 La2 Mo1.8 O8.9 -","- Cr0.2 La2 Mo1.8 O8.9 -","- Cr0.4 La4 Mo3.6 O17.8 -","2","0.166667","","Corbel, G.; Laligant, Y.; Goutenoire, F.; Suard, E.; Lacorre, P.","Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the crystal structure of the fast oxide-ion conductor structural effects of W(6+)","Chemistry of Materials (1,1989-)","2005","17","","4678","4684","","","","","","","","","","","","","","","","","","","","","","has coordinates","150611","2020-10-21","18:00:00",""
"4002375","7.1389","","7.1389","","7.1389","","90","","90","","90","","363.826","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","La2 Mo1.5 Cr0.5 O8.96","","- Cr0.5 La2 Mo1.5 O8.96 -","- Cr0.5 La2 Mo1.5 O8.96 -","- Cr La4 Mo3 O17.92 -","2","0.166667","","Corbel, G.; Goutenoire, F.; Laligant, Y.; Suard, E.; Lacorre, P.","Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the crystal structure of the fast oxide-ion conductor structural effects of W(6+)","Chemistry of Materials (1,1989-)","2005","17","","4678","4684","","","","","","","","","","","","","","","","","","","","","","has coordinates","150612","2020-10-21","18:00:00",""
"4002382","7.432","","4.44","","7.087","","90","","90","","90","","233.857","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ce (Rh0.69 Ir0.31) Ge","","- Ce Ge Ir0.31 Rh0.69 -","- Ce Ge Ir0.31 Rh0.69 -","- Ce4 Ge4 Ir1.24 Rh2.76 -","4","0.5","","Gaudin, E.; Chevalier, B.; Heying, B.; Rodewald, U.C.; Poettgen, R.","Valence and structural transitions in the pseudo-ternary germanide Ce (Rh0.69 Ir0.31) Ge","Chemistry of Materials (1,1989-)","2005","17","","2693","2700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002409","4.3","","8.587","","10.518","","113.11","","100.5","","90.36","","349.919","","","","","","","","","","","","","1","P 1","P 1","1","","Bi (B4 O6 (O H)2) (O H)","","- Bi0.5 -","- Bi0.5 -","- Bi -","2","2","","Li, L.; Li, G.; Wang, Y.; Lin, J.; Liao, F.","Bismuth borates: One-dimensional borate chains and nonlinear optical properties","Chemistry of Materials (1,1989-)","2005","17","","4174","4180","","","","","","","","","","","","","","","","","","","","","","has coordinates","151256","2020-10-21","18:00:00",""
"4002410","6.6257","","6.6238","","6.6541","","89.998","","89.982","","119.332","","254.591","","","","","","","","","","","","","1","P 1","P 1","1","","Bi3 (B6 O13 (O H))","","- Bi -","- Bi -","- Bi -","1","1","","Li, L.; Liao, F.; Li, G.; Wang, Y.; Lin, J.","Bismuth borates: One-dimensional borate chains and nonlinear optical properties","Chemistry of Materials (1,1989-)","2005","17","","4174","4180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002429","4.289","","4.289","","9.299","","90","","90","","90","","171.06","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Y Ni0.57 Sb2","","- Ni0.57 Sb2 Y -","- Ni0.567 Sb2 Y -","- Ni1.134 Sb4 Y2 -","2","0.125","","Thomas, E.L.; Chan, J.Y.; Young, D.P.; Moldovan, M.","Synthesis, structure, and magneto-transport of Ln Ni(1-x) Sb2 (Ln = Y, Gd - Er)","Chemistry of Materials (1,1989-)","2005","17","","5810","5816","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002629","7.429","","4.467","","7.121","","90","","90","","90","","236.313","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Rh Ge","","- Ce Ge Rh -","- Ce Ge Rh -","- Ce4 Ge4 Rh4 -","4","0.5","","Gaudin, E.; Rodewald, U.C.; Chevalier, B.; Heying, B.; Poettgen, R.","Valence and Structural Transitions in the Pseudo-Ternary Germanide Ce (Rh0.69 Ir0.31) Ge","Chemistry of Materials (1,1989-)","2005","17","","2693","2700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002635","7.072","","4.3742","","7.573","","90","","90","","90","","234.266","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Ir Ge","","- Ce Ge Ir -","- Ce Ge Ir -","- Ce4 Ge4 Ir4 -","4","0.5","","Gaudin, E.; Chevalier, B.; Poettgen, R.; Heying, B.; Rodewald, U.C.","Valence and Structural Transitions in the Pseudo-Ternary Germanide Ce (Rh0.69 Ir0.31) Ge","Chemistry of Materials (1,1989-)","2005","17","","2693","2700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4004041","3.80329","0.00006","3.80329","0.00006","4.64989","0.0001","90","","90","","90","","67.261","0.002","","","90","","","","100","","","","","3","P 4 m m","P 4 -2","99","PbVO3 perovskite at 90 K","","","- O3 Pb V -","- O3 Pb V -","- O3 Pb V -","1","0.125","","Belik, A.A.; Azuma, M.; Saito, T.; Shimakawa, Y.; Takano, M.","Crystallographic features and tetragonal phase stability of PbVO3, a new memmber of PbTiO3 family : At 90 K","Chemistry of Materials","2005","17","","269","273","10.1021/cm048387i","","","","","","","","","","","","","","","","","","","","","has coordinates","270200","2021-11-02","08:27:47",""
"4004042","3.80391","0.00005","3.80391","0.00005","4.6768","0.00008","90","","90","","90","","67.672","0.0017","","","300","","","","100","","","","","3","P 4 m m","P 4 -2","99","PbVO3 perovskite at 300 K","","","- O3 Pb V -","- O3 Pb V -","- O3 Pb V -","1","0.125","","Belik, A.A.; Azuma, M.; Saito, T.; Shimakawa, Y.; Takano, M.","Crystallographic features and tetragonal phase stability of PbVO3, a new memmber of PbTiO3 family : At 300 K","Chemistry of Materials","2005","17","","269","273","10.1021/cm048387i","","","","","","","","","","","","","","","","","","","","","has coordinates","270201","2021-11-02","08:28:36",""
"4004043","3.80721","0.00005","3.80721","0.00005","4.69819","0.00009","90","","90","","90","","68.0995","0.0018","","","530","","","","100","","","","","3","P 4 m m","P 4 -2","99","PbVO3 perovskite at 530 K","","","- O3 Pb V -","- O3 Pb V -","- O3 Pb V -","1","0.125","","Belik, A.A.; Azuma, M.; Saito, T.; Shimakawa, Y.; Takano, M.","Crystallographic features and tetragonal phase stability of PbVO3, a new memmber of PbTiO3 family : At 530 K","Chemistry of Materials","2005","17","","269","273","10.1021/cm048387i","","","","","","","","","","","","","","","","","","","","","has coordinates","270202","2021-11-02","08:29:18",""
"4020000","12.762","0.0016","6.8946","0.0009","17.222","0.002","90","","98.533","0.002","90","","1498.5","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N2 O0.5 -","- C17 H21 N2 O0.5 -","- C68 H84 N8 O2 -","4","2","","Steven M. Allin; Christopher I. Thomas; Kevin Doyle; Mark R. J. Elsegood","","Journal of Organic Chemistry","2005","70","","357","359","10.1021/jo040245k","","x-ray","0.71073","MoKα","","0.0687","0.0429","","","0.0918","0.1051","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020001","6.9145","0.001","20.9656","0.0019","21.9283","0.0017","90","","90","","90","","3178.9","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 N6 O8 Si -","- C28 H42 N6 O8 Si -","- C112 H168 N24 O32 Si4 -","4","1","","Yu Lin Jiang; Carissa J. Wiederholf; Jennifer N. Patro; Kazuhiro Haraguchi; Marc M. Greenberg","","Journal of Organic Chemistry","2005","70","","141","149","10.1021/jo048253o","","","0.71073","","","0.0796","0.0615","","","0.1513","0.1618","","","","","","1.108","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020002","9.6715","0.0003","9.9913","0.0003","10.0792","0.0004","69.312","0.0014","85.197","0.0015","72.302","0.0016","867.73","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","7,7'-dihydroxy-8,8'-biquinolyl dimethanol solvate","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Blakemore, Paul R.; Kilner, Colin; Milicevic, Selena D.","Harnessing Anionic Rearrangements on the Benzenoid Ring of Quinoline for the Synthesis of 6,6'-Disubstituted 7,7'-Dihydroxy-8,8'-biquinolyls","The Journal of Organic Chemistry","2005","70","1","373","376","10.1021/jo048258l","","x-ray","0.71073","MoKα","","0.1072","0.0843","","","0.2792","0.3006","","","","","","1.213","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020003","10.361","0.0002","7.742","0.0002","15.539","0.0004","90","","107.664","0.001","90","","1187.69","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl (8-iodo-7-hydroxy-6-quinolyl)carboxamide","","- C12 H11 I N2 O2 -","- C12 H11 I N2 O2 -","- C48 H44 I4 N8 O8 -","4","1","","Blakemore, Paul R.; Kilner, Colin; Milicevic, Selena D.","Harnessing Anionic Rearrangements on the Benzenoid Ring of Quinoline for the Synthesis of 6,6'-Disubstituted 7,7'-Dihydroxy-8,8'-biquinolyls","The Journal of Organic Chemistry","2005","70","1","373","376","10.1021/jo048258l","","x-ray","0.71073","MoKα","","0.0362","0.0254","","","0.0637","0.0671","","","","","","1.054","","","","has coordinates","270064","2021-10-23","04:42:05",""
"4020004","12.3233","0.0002","18.2087","0.0004","13.2098","0.0003","90","","102.782","0.0011","90","","2890.71","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7,7'-bis(diethylaminocarbonyloxy)-6,6'-diiodo-8,8'-biquinolyl","","- C28 H28 I2 N4 O4 -","- C28 H28 I2 N4 O4 -","- C112 H112 I8 N16 O16 -","4","1","","Blakemore, Paul R.; Kilner, Colin; Milicevic, Selena D.","Harnessing Anionic Rearrangements on the Benzenoid Ring of Quinoline for the Synthesis of 6,6'-Disubstituted 7,7'-Dihydroxy-8,8'-biquinolyls","The Journal of Organic Chemistry","2005","70","1","373","376","10.1021/jo048258l","","","0.71073","MoKα","","0.0603","0.0352","","","0.0775","0.086","","","","","","1.025","","","","has coordinates","270064","2021-10-23","04:42:05",""
"4020005","9.7483","0.0014","17.536","0.003","21.06","0.003","90","","90","","90","","3600.1","0.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 N2 O2 P2 Pd -","- C44 H38 N2 O2 P2 Pd -","- C176 H152 N8 O8 P8 Pd4 -","4","1","","Kevin R. Campos; Michel Journet; Sandra Lee; Edward J. J. Grabowski; Richard D. Tillyer","","Journal of Organic Chemistry","2005","70","","268","274","10.1021/jo048305+","","","0.71073","MoKα","","0.0578","0.0469","","","0.0873","0.0904","","","","","","0.895","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020006","9.5","0.0019","10.95","0.002","11.14","0.002","62.38","0.03","79.77","0.03","80.06","0.03","1005","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","8-Benzyloxycarbonylaminomethyl-1-phenyl-2-thia-6-aza-bicyclo[4.2.0]octan-7-one","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C42 H44 N4 O6 S2 -","2","1","","Xu, J. X.; Jiao, Lei; Liang, Yong; Zhang, Shiwei","","Journal of Organic Chemistry","2005","70","","334","337","10.1021/jo048328o","","x-ray","0.71073","MoKα","","0.0927","0.0563","","","0.1439","0.1545","","","","","","1.018","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020007","6.7258","0.0004","14.2377","0.001","16.1488","0.0011","90","","96.325","0.004","90","","1536.99","0.18","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C64 H96 O16 -","4","1","","Takahiro Tokuyasu; Shigeki Kunikawa; Kevin J. McCullough; Araki Masuyama; Masatomo Nojima","","Journal of Organic Chemistry","2005","70","","251","260","10.1021/jo048359j","","","0.71073","MoKα","","0.0581","0.043","","","0.1257","0.1342","","","","","","1.106","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020008","8.0723","0.0016","12.111","0.002","34.684","0.007","90","","90","","90","","3391","1.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C152 H136 N24 O8 -","8","2","","Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave","","Journal of Organic Chemistry","2005","70","","301","308","10.1021/jo048380k","","","0.71073","MoKα","","0.1149","0.0462","","","0.0825","0.0986","","","","","","1.031","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020009","15.139","0.003","7.9773","0.0016","10.163","0.002","90","","90","","90","","1227.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave","","Journal of Organic Chemistry","2005","70","","301","308","10.1021/jo048380k","","","0.71073","MoKα","","0.0706","0.0492","","","0.0887","0.0957","","","","","","1.125","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020010","7.1662","0.0014","7.6325","0.0015","23.207","0.005","90","","90","","90","","1269.3","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13.5 Cl2 N2 Zn -","- C9 H13.5 Cl2 N2 Zn -","- C36 H54 Cl8 N8 Zn4 -","4","1","","Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave","","Journal of Organic Chemistry","2005","70","","301","308","10.1021/jo048380k","","","0.71073","MoKα","","0.1261","0.0956","","","0.1703","0.1787","","","","","","1.378","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020011","10.6675","0.0004","11.0586","0.0005","16.5092","0.0007","90","","90","","90","","1947.55","0.14","198","2","198","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C80 H120 N8 O24 -","8","1","","Mingshi Dai; Xuqing Zhang; Seock-Kyu Khim; Arthur G. Schultz","","Journal of Organic Chemistry","2005","70","","384","387","10.1021/jo048408s","","","0.71073","MoKα","","0.0312","0.0303","","","0.081","0.0822","","","","","","1.034","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020012","19.3269","0.0009","13.4544","0.0007","19.8413","0.0009","90","","90","","90","","5159.4","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H34 N2 O2 -","- C32 H33.33 N2 O2 -","- C256 H266.64 N16 O16 -","8","1","","Shoji, Mitsuru; Imai, Hiroki; Mukaida, Makoto; Sakai, Ken; Kakeya, Hideaki; Osada, Hiroyuki; Ayashi, Yujiro","The Total Synthesis of Epoxyquinols A, B, C and RKB-3564D and the Reactivity of a 2H-Pyran Derivative as the Diene Component in the Diels-Alder Reaction","Journal of Organic Chemistry","2005","70","","79","91","10.1021/jo048425h","","","0.71073","MoKα","","0.08","0.0647","","","0.1339","0.1407","","","","","","1.204","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020013","16.04","0.06","9.16","0.03","16.62","0.1","90","","117.75","0.04","90","","2162.7","1.7","193.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H72 I2 N2 Sn2 -","- C26 H14 I2 N2 Sn2 -","- C52 H28 I4 N4 Sn4 -","2","1","","Robert E. Gawley; Sanjay Narayan; David A. Vicic","Absolute Configuration of 2-(Tributylstannyl)pyrrolidine by Anomalous Dispersion X-ray Analysis","Journal of Organic Chemistry","2005","70","","328","329","10.1021/jo048569w","","","0.7107","MoKα","","","0.097","","","","0.144","","","","","","14.209","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020014","16.6111","0.0004","16.6111","0.0004","14.6749","0.0008","90","","90","","120","","3506.7","0.2","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C12 H36 Cl Cu8 F6 O12 P7 S12 -","- C12 H36 Cl Cu8 F6 O12 P7 S12 -","- C36 H108 Cl3 Cu24 F18 O36 P21 S36 -","3","0.166667","","Gerald F. Manbeck; Adam J. Lipman; Robert A. Stockland, Jr.; Adrienne L. Freidl; Amy F. Hasler; Joshua J. Stone; Ilia A. Guzei","Organosoluble Copper Clusters as Precatalysts for Carbon-Heteroelement Bond-Forming Reactions: Microwave and Conventional Heating","Journal of Organic Chemistry","2005","70","","244","250","10.1021/jo048761y","","","0.71073","MoKα","","0.0227","0.0218","","","0.057","0.0577","","","","","","1.066","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020015","6.589","0.001","8.452","0.001","10.757","0.001","108.41","0.01","96.9","0.01","92.79","0.01","561.9","0.1","293","2","293","2","","","","","","","","3","P 1","P 1","1","","3B,8A,9B-TRIACETOXY-4A-HYDROXY-7-EPI-EUDESMANE","","- C21 H36 O8 -","- C21 H36 O8 -","- C21 H36 O8 -","1","1","","García-Granados, A.; Gutiérrez, M.C.; Martínez, A.; Rivas, F.","Enzyme-catalyzed rearrangement of a diepoxy-germacrane compound into a new 7-epi-eudesmane derivative","Journal of Organic Chemistry","2005","70","","338","341","10.1021/jo048783k","","","0.71073","MoKα","","0.048","0.0449","","","0.145","0.1532","","","","","","0.804","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020016","12.511","0.014","5.682","0.008","18.53","0.02","90","","102.443","0.01","90","","1286","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C48 H40 N8 O24 -","4","1","","Francesca Aulenta; Michael G.B. Drew; Alison Foster; Wayne Hayes; Steven Rannard; David W. Thornthwaite; David R. Worrall; Tristan G.A. Youngs","","Journal of Organic Chemistry","2005","70","","63","78","10.1021/jo048799a","","","0.71073","MoKα","","0.1252","0.0953","","","0.1773","0.1895","","","","","","1.264","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020017","12.6","0.015","6.37","0.009","14.56","0.017","90","","98.771","0.01","90","","1155","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","","Francesca Aulenta; Michael G.B. Drew; Alison Foster; Wayne Hayes; Steven Rannard; David W. Thornthwaite; David R. Worrall; Tristan G.A. Youngs","","Journal of Organic Chemistry","2005","70","","63","78","10.1021/jo048799a","","","0.71073","MoKα","","0.1562","0.1129","","","0.2632","0.2979","","","","","","1.201","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020018","9.7591","0.0009","11.4941","0.001","13.7768","0.0012","78.389","0.001","83.621","0.002","65.844","0.001","1380.5","0.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","VAPOL","","","- C40 H26 O2 -","- C40 H26 O2 -","- C80 H52 O4 -","2","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.08","0.044","","","0.0774","0.0858","","","","","","0.847","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020019","11.4168","0.0012","11.4846","0.0012","12.6673","0.0013","100.841","0.002","113.661","0.002","95.133","0.002","1468.8","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","VAPOL","","","- C42 H30 O3 -","- C42 H30 O3 -","- C84 H60 O6 -","2","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.1378","0.0712","","","0.1904","0.2717","","","","","","0.979","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020020","11.4378","0.0009","11.8855","0.0009","13.221","0.001","93.018","0.001","110.931","0.001","113.913","0.001","1493","0.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","VAPOL","","","- C43.5 H26 O2 -","- C43.5 H26 O2 -","- C87 H52 O4 -","2","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.0989","0.0745","","","0.1665","0.1788","","","","","","1.125","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020021","11.422","0.003","11.422","0.003","40.05","0.02","90","","90","","120","","4525","3","153","2","153","2","","","","","","","","4","P 32 2 1","P 32 2""","154","VAPOL","","","- C40.5 H27 Cl O2 -","- C40.5 H27 Cl O2 -","- C243 H162 Cl6 O12 -","6","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.1009","0.0672","","","0.1208","0.1536","","","","","","0.873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020022","11.174","0.001","13.185","0.001","56.18","0.005","90","","90","","90","","8277","1.2","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","VAPOL","","","- C40 H26 O2 -","- C40 H26 O2 -","- C480 H312 O24 -","12","3","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.1388","0.0703","","","0.122","0.1526","","","","","","0.8","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020023","8.2629","0.0004","8.2629","0.0004","41.448","0.003","90","","90","","90","","2829.9","0.3","153","2","153","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","VAPOL","","","- C40 H26 O2 -","- C40 H26 O2 -","- C160 H104 O8 -","4","0.5","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.0739","0.065","","","0.115","0.1181","","","","","","1.237","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020024","15.881","0.0003","8.831","0.0002","18.638","0.0004","90","","121.089","0.0009","90","","2238.44","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","noe-si","AcNH-C4Ser-CH2O-SiPh2tBu","","- C23 H31 N O3 Si -","- C23 H31 N O3 Si -","- C92 H124 N4 O12 Si4 -","4","1","","Alberto Avenoza; Jesus H Busto; Noelia Canal; Jesus M Peregrina","","Journal of Organic Chemistry","2005","70","","330","333","10.1021/jo048943s","","","0.71073","MoKα","","0.0682","0.0501","","","0.1314","0.144","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020025","15.0571","0.0005","8.5111","0.0003","9.6337","0.0003","90","","105.119","0.0007","90","","1191.88","0.08","128","2","128","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ac-Glu(Oet)-OMe","2-acetamido-4-etoxicarbonilbutanoato de metilo","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C40 H68 N4 O20 -","4","1","","Alberto Avenoza; Jesus H Busto; Noelia Canal; Jesus M Peregrina","","Journal of Organic Chemistry","2005","70","","330","333","10.1021/jo048943s","","","0.71073","MoKα","","0.1","0.0728","","","0.2017","0.2225","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020026","10.9138","0.0002","14.241","0.0004","15.8931","0.0004","83.7604","0.0016","69.9967","0.0016","76.1331","0.0009","2252.53","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","noe-13-6","(Z)-2-hidroxi-1-TBDPS-1-acetamidociclobutano","","- C23 H31 N O3 Si -","- C46 H62 N2 O6 Si2 -","- C92 H124 N4 O12 Si4 -","2","1","","Alberto Avenoza; Jesus H Busto; Noelia Canal; Jesus M Peregrina","","Journal of Organic Chemistry","2005","70","","330","333","10.1021/jo048943s","","","0.71073","MoKα","","0.1294","0.0608","","","0.1445","0.1742","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020027","5.122","0.003","17.263","0.008","21.099","0.007","90","","90","","90","","1865.6","1.5","153.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O6 -","- C20 H17 Br O6 -","- C80 H68 Br4 O24 -","4","1","","Hiroyuki Suga; Kei Inoue; Shuichi Inoue; Akikazu Kalehi; Motoo Shiro","","Journal of Organic Chemistry","2005","70","","47","56","10.1021/jo049007f","","","0.7107","MoKα","","","0.026","","","","0.0521","","","","","","1.025","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020028","14.1821","0.0004","11.6288","0.0004","14.4777","0.0004","90","","90","","90","","2387.67","0.13","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C104 H144 Cl8 N8 O8 -","8","1","","Albert Padwa; Paitoon Rashatasakhon; Ayse Daut Ozdemir; Jerremey Willis","","Journal of Organic Chemistry","2005","70","","519","528","10.1021/jo048314i","","","1.54178","CuKα","","0.0514","0.0463","","","0.1156","0.1181","","","","","","1.215","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020029","7.7918","0.0013","19.181","0.003","10.7621","0.0018","90","","102.2","0.003","90","","1572.1","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","2","","Kazuaki Katakawa; Mariko Kitajima; Norio Aimi; Hiroko Seki; Kentaro Yamaguchi; Kazuo Furihata; Takashi Harayama; Hiromitsu Takayama","","Journal of Organic Chemistry","2005","70","","658","663","10.1021/jo0483825","","","0.71073","MoKα","","0.1437","0.0715","","","0.1576","0.2011","","","","","","0.917","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020030","7.698","0.002","20.7","0.005","11.647","0.003","90","","104","3","90","","1798","26","100.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 N O3 -","- C19 H31 N O3 -","- C76 H124 N4 O12 -","4","2","","Kazuaki Katakawa; Mariko Kitajima; Norio Aimi; Hiroko Seki; Kentaro Yamaguchi; Kazuo Furihata; Takashi Harayama; Hiromitsu Takayama","","Journal of Organic Chemistry","2005","70","","658","663","10.1021/jo0483825","","","0.7107","MoKα","","","0.0496","","","","0.0717","","","","","","0.949","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020031","8.2604","0.0015","8.8032","0.0016","12.583","0.002","84.95","0.004","79.407","0.004","66.465","0.004","824.5","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","1-isopropyl-2-[1-(2-isopropylphenyl)vinyl]benzene","","- C20 H24 -","- C20 H24 -","- C40 H48 -","2","1","","Lodovico Lunazzi; Andrea Mazzanti; Mirko Minzoni","Stereomutations of two-Bladed Propeller Derivatives: ortho-Substituted Diaryl-Ethylene and Diaryl-Ketone.","Journal of Organic Chemistry","2005","70","","456","462","10.1021/jo0483926","","","0.71073","MoKα","","0.086","0.0637","","","0.1962","0.2136","","","","","","1.074","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020032","12.26","0.003","7.9032","0.0016","23.177","0.005","90","","90","","90","","2245.7","0.9","84","2","84","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","methylphenylthioether","","","- C12 H16 S2 -","- C12 H16 S2 -","- C96 H128 S16 -","8","1","","Reginald H. Mitchell; Rachel Blunden; Gavin Hollett; Subhajit Bandyopadhyay; Richard Vaughan Williams; Brendan Twamley","","Journal of Organic Chemistry","2005","70","","675","680","10.1021/jo0484272","","","0.71073","MoKα","","0.0794","0.0504","","","0.1146","0.1291","","","","","","1.087","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020033","13.258","0.003","6.215","0.001","17.517","0.013","90","","94.7","0.03","90","","1438.5","1.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(p-trifluoromethylphenyl)buta-1,3-diyne","","- C18 H8 F6 -","- C18 H8 F6 -","- C72 H32 F24 -","4","1","","Batsanov, Andrei S.; Collings, Jonathan C.; Fairlamb, Ian J. S.; Holland, J. P.; Howard, J. A. K.; Lin, Z.; Marder, T. B.; Parsons, A. C.; Ward, R. M.; Zhu, J.","","Journal of Organic Chemistry","2005","70","","703","706","10.1021/jo048428u","","","0.71073","MoKα","","0.0595","0.0447","","","0.1142","0.1205","","","","","","1.057","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020034","21.693","0.002","7.4264","0.0004","21.2705","0.0016","90","","111.716","0.007","90","","3183.5","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-[4-Bromo-5-(hydroxyphenylmethyl)-thiazol-2-yl]-2,2-dimethylpropanamide","","- C15 H17 Br N2 O2 S -","- C15 H17 Br N2 O2 S -","- C120 H136 Br8 N16 O16 S8 -","8","1","","Peter Stanetty; Michael Schnürch; Kurt Mereiter; Marko D. Mihovilovic","","Journal of Organic Chemistry","2005","70","","567","574","10.1021/jo0484326","","","0.71073","MoKα","","0.0533","0.0409","","","0.1053","0.1137","","","","","","1.036","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020035","11.9778","0.0013","7.1149","0.0008","14.3189","0.0016","90","","99.461","0.002","90","","1203.7","0.2","297","2","297","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","N-[5-Bromo-3-methyl-thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide","","- C9 H13 Br N2 O S -","- C9 H13 Br N2 O S -","- C36 H52 Br4 N8 O4 S4 -","4","1","","Peter Stanetty; Michael Schnürch; Kurt Mereiter; Marko D. Mihovilovic","","Journal of Organic Chemistry","2005","70","","567","574","10.1021/jo0484326","","","0.71073","MoKα","","0.0571","0.041","","","0.1151","0.1268","","","","","","1.06","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020036","9.0101","0.0007","10.5938","0.0008","30.086","0.002","90","","91.797","0.002","90","","2870.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydro-2-phenylimino-thiazole-3-carboxylic acid 1,1-dimethylethylester","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","2","","Peter Stanetty; Michael Schnürch; Kurt Mereiter; Marko D. Mihovilovic","","Journal of Organic Chemistry","2005","70","","567","574","10.1021/jo0484326","","","0.71073","MoKα","","0.0684","0.05","","","0.105","0.1122","","","","","","1.062","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020037","12.5501","0.0004","12.5501","0.0004","29.4265","0.0014","90","","90","","90","","4634.8","0.3","158","","158","","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C40 H56 Fe2 I2 N2 O2 Pd2 Si2 -","- C40 H56 Fe2 I2 N2 O2 Pd2 Si2 -","- C160 H224 Fe8 I8 N8 O8 Pd8 Si8 -","4","0.5","","Carolyn E. Anderson; Yariv Donde; Christopher J. Douglas; Larry E. Overman","","Journal of Organic Chemistry","2005","70","","648","657","10.1021/jo048490r","","","0.71073","MoKα","","0.0211","0.0195","","0.0403","0.0399","","","","1.159","1.167","1.167","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4020038","12.3661","0.0006","12.3661","0.0006","31.502","0.003","90","","90","","90","","4817.3","0.5","153","","153","","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C44 H64 Fe2 I2 N2 O4 Pd2 Si2 -","- C44 H64 Fe2 I2 N2 O4 Pd2 Si2 -","- C176 H256 Fe8 I8 N8 O16 Pd8 Si8 -","4","0.5","","Carolyn E. Anderson; Yariv Donde; Christopher J. Douglas; Larry E. Overman","","Journal of Organic Chemistry","2005","70","","648","657","10.1021/jo048490r","","","0.71073","MoKα","","0.0348","0.028","","0.0638","0.0617","","","","1.125","1.141","1.141","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4020039","15.627","0.003","15.627","0.003","9.717","0.003","90","","90","","90","","2373","0.9","173","2","173","2","","","","","","","","3","P 42 21 2","P 4n 2n","94","","","","- C50 H34 I6 -","- C50 H34 I6 -","- C100 H68 I12 -","2","0.25","","Kenji Kobayashi; Norifumi Kobayashi; Masahiro Ikuta; Bruno Therrien; Shigeru Sakamoto; Kentaro Yamaguchi","","Journal of Organic Chemistry","2005","70","","749","752","10.1021/jo048521i","","","0.71073","MoKα","","0.1055","0.0587","","","0.1524","0.197","","","","","","1.069","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020040","11.637","0.004","13.29","0.004","18.076","0.005","92.762","0.004","102.061","0.004","111.491","0.004","2519.9","1.2","100.2","","100.2","","","","","","","","","3","P -1","-P 1","2","","","","- C55 H53 O12.5 -","- C55 H25 O12.25 -","- C110 H50 O24.5 -","2","1","","Kenji Kobayashi; Norifumi Kobayashi; Masahiro Ikuta; Bruno Therrien; Shigeru Sakamoto; Kentaro Yamaguchi","","Journal of Organic Chemistry","2005","70","","749","752","10.1021/jo048521i","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020041","7.892","0.002","7.1872","0.0008","11.873","0.003","90","","98.59","0.02","90","","665.9","0.3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 F3 N O2 -","- C13 H14 F3 N O2 -","- C26 H28 F6 N2 O4 -","2","1","","Nguyen Thi Ngoc Tam; Guillaume Magueur; Michèle Ourévitch; Benoit Crousse; Jean-Pierre Bégué; Danièle Bonnet-Delpon","","Journal of Organic Chemistry","2005","70","","699","702","10.1021/jo0485233","","","0.71073","MoKα","","0.0905","0.0672","","0.1116","0.0811","0.0811","","","","","","1.0238","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020042","6.1456","0.0003","10.4226","0.0006","18.8079","0.001","90","","90","","90","","1204.7","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","1","","Bhalchandra V. Joshi; Hyung Ryong Moon; James C. Fettinger; Victor E. Marquez; Kenneth A. Jacobson","","Journal of Organic Chemistry","2005","70","","439","447","10.1021/jo0487606","","","0.71073","MoKα","","0.0406","0.0323","","","0.0766","0.0804","","","","","","1.123","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020043","9.741","0.006","4.787","0.004","27.44","0.02","90","","97.63","0.06","90","","1268","1","93.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H17 N O3 -","- C14 H12 N O3 -","- C56 H48 N4 O12 -","4","1","","Azusa Sato; Hisanaka Ito; Takeo Taguchi","","Journal of Organic Chemistry","2005","70","","709","712","10.1021/jo0489216","","","0.7107","MoKα","","","0.072","","","","0.154","","","","","","1.051","","","","has coordinates,has disorder","178378","2020-10-21","18:00:00",""
"4020044","17.5307","0.0015","17.4709","0.0015","25.626","0.002","90","","105.381","0.001","90","","7567.5","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C78 H104 O26 -","- C78 H98 O26 -","- C312 H392 O104 -","4","1","","Huang, Feihe; Zakharov, Lev N.; Rheingold, Arnold L.; Ashraf-Khorassani, Mehdi","Synthesis of a Symmetric Cylindrical Bis(crown ether) Host and Its Complexation with Paraquat","Journal of Organic Chemistry","2005","70","","809","813","10.1021/jo048111u","","","0.71073","MoKα","","0.0818","0.0622","","","0.1517","0.1628","","","","","","1.071","","","","has coordinates,has disorder","178378","2020-10-21","18:00:00",""
"4020045","14.0015","0.0012","20.6348","0.0018","20.0547","0.0018","90","","101.645","0.001","90","","5674.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H129 F24 N7 O24 P4 -","- C96 H120 F24 N4 O24 P4 -","- C192 H240 F48 N8 O48 P8 -","2","0.5","","Huang, Feihe; Zakharov, Lev N.; Rheingold, Arnold L.; Ashraf-Khorassani, Mehdi","Synthesis of a Symmetric Cylindrical Bis(crown ether) Host and Its Complexation with Paraquat","Journal of Organic Chemistry","2005","70","","809","813","10.1021/jo048111u","","","0.71073","MoKα","","0.1428","0.1101","","","0.3122","0.3366","","","","","","1.092","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020046","11.833","0.002","15.927","0.003","15.686","0.003","90","","110.56","0.03","90","","2768.2","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H18 Cl2 O6 -","- C35 H18 Cl2 O6 -","- C140 H72 Cl8 O24 -","4","1","","Xiao-Zhang Zhu; Chuan-Feng Chen","","Journal of Organic Chemistry","2005","70","","917","924","10.1021/jo0483015","","","0.71073","MoKα","","0.1571","0.0685","","","0.1537","0.1811","","","","","","1.081","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020047","6.608","0.0011","8.373","0.0005","12.307","0.0008","100.772","0.005","98.244","0.009","111.589","0.008","605","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","""1-methyl-1-(2-oxo-propyl)-4a,5,8,8a-tetrahydro-1H-naphthalen-2-0ne"".","","","- C14 H18 O2 -","- C14 H18 O2 -","- C28 H36 O4 -","2","1","","Vishwakarma Singh; Sridhar R. Iyer; Shaikh M. Mobin","","Journal of Organic Chemistry","2005","70","","973","981","10.1021/jo048320e","","","0.7093","MoKα","","0.0969","0.0523","","","0.1167","0.1392","","","","","","1.067","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020048","9.147","0.001","24.654","0.003","10.642","0.002","90","","103.71","0.01","90","","2331.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 N O7 -","- C23 H33 N O7 -","- C92 H132 N4 O28 -","4","1","","Kay M. Brummond; Sang-phyo Hong","","Journal of Organic Chemistry","2005","70","","907","916","10.1021/jo0483567","","","0.71073","MoKα","","0.1036","0.0487","","0.1382","0.1099","","","","1.041","1.162","1.162","","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020049","9.1321","0.0004","9.1935","0.0004","22.2192","0.001","80.69","0.001","82.866","0.001","69.114","0.001","1715.42","0.13","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H45 N O7 -","- C37 H45 N O7 -","- C74 H90 N2 O14 -","2","2","","Kay M. Brummond; Sang-phyo Hong","","Journal of Organic Chemistry","2005","70","","907","916","10.1021/jo0483567","","","0.71073","MoKα","","0.0991","0.0632","","","0.1585","0.173","","","","","","1.164","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020050","10.1891","0.0004","15.7633","0.0007","26.655","0.001","90","","90","","90","","4281.2","0.3","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 N O2 P -","- C28 H20 N O2 P -","- C224 H160 N8 O16 P8 -","8","2","","Heiko Bernsmann; Michel van den Berg; Rob Hoen; Adriaan J. Minnaard; Gerlinde Mehler; Manfred T. Reetz; Johannes G. de Vries; Ben L. Feringa","","Journal of Organic Chemistry","2005","70","","943","951","10.1021/jo048374o","","","0.71073","MoKα","","0.0422","0.0385","","","0.0957","0.0971","","","","","","0.993","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020051","9.4395","0.0011","11.589","0.0014","15.0764","0.0018","90","","104.516","0.002","90","","1596.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C68 H64 O24 -","4","1","","Shengming Ma; Lianghua Lu; Ping Lu","","Journal of Organic Chemistry","2005","70","","1063","1065","10.1021/jo048430l","","","0.71073","MoKα","","0.0965","0.0455","","","0.0801","0.0927","","","","","","0.833","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020052","9.605","0.004","12.504","0.005","12.317","0.005","90","","115.094","0.004","90","","1339.7","1","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl P Se -","- C12 H16 Cl P Se -","- C48 H64 Cl4 P4 Se4 -","4","1","","Tsutomu Kimura; Toshiaki Murai","","Journal of Organic Chemistry","2005","70","","952","959","10.1021/jo0484979","","","0.7107","MoKα","","","0.0361","","","","0.0979","","","","","","1.065","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020053","7.542","0.004","17.893","0.009","14.607","0.008","90","","96.622","0.006","90","","1958","1","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 P S Se Si -","- C15 H27 P S Se Si -","- C60 H108 P4 S4 Se4 Si4 -","4","1","","Tsutomu Kimura; Toshiaki Murai","","Journal of Organic Chemistry","2005","70","","952","959","10.1021/jo0484979","","","0.7107","MoKα","","","0.0465","","","","0.0903","","","","","","1.002","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020054","7.51","0.001","13.032","0.002","17.576","0.002","90","","99.495","0.008","90","","1696.5","0.4","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 P Se2 -","- C16 H19 P Se2 -","- C64 H76 P4 Se8 -","4","1","","Tsutomu Kimura; Toshiaki Murai","","Journal of Organic Chemistry","2005","70","","952","959","10.1021/jo0484979","","","0.7107","MoKα","","","0.0398","","","","0.0682","","","","","","0.81","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020055","9.555","0.0002","6.4178","0.0001","10.1281","0.0002","90","","104.113","0.001","90","","602.33","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C28 H44 O4 -","2","1","","Jamie B. Scaglione; Nigam P. Rath; Douglas F. Covey","","Journal of Organic Chemistry","2005","70","","1089","1092","10.1021/jo048561m","","","0.71073","MoKα","","0.0409","0.0359","","","0.0855","0.0885","","","","","","1.052","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020056","7.3819","0.0002","16.9618","0.0007","22.3703","0.0008","90","","90","","90","","2800.99","0.17","150","1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C112 H96 N16 O48 -","8","1","","Tung Siu; Christine J. Picard; Andrei K. Yudin","","Journal of Organic Chemistry","2005","70","","932","937","10.1021/jo048591p","","","0.71073","MoKα","","0.0679","0.0435","","","0.1021","0.1159","","","","","","1.02","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020057","7.9575","0.0001","8.8478","0.0001","17.3936","0.0003","87.621","0.001","79.699","0.001","73.659","0.001","1156.16","0.03","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N3 O6 S -","- C26 H23 N3 O6 S -","- C52 H46 N6 O12 S2 -","2","1","","Tung Siu; Christine J. Picard; Andrei K. Yudin","","Journal of Organic Chemistry","2005","70","","932","937","10.1021/jo048591p","","","0.71073","MoKα","","0.0448","0.0364","","","0.0897","0.0949","","","","","","1.045","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020058","7.9615","0.0002","9.9599","0.0002","38.3334","0.001","90","","90","","90","","3039.68","0.13","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","2","","Tung Siu; Christine J. Picard; Andrei K. Yudin","","Journal of Organic Chemistry","2005","70","","932","937","10.1021/jo048591p","","","0.71073","MoKα","","0.0614","0.0418","","","0.0862","0.0936","","","","","","1.022","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020059","17.2915","0.0015","10.6152","0.0008","5.8951","0.0004","90","","90","","90","","1082.06","0.14","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H18 O3 -","- C10 H18 O3 -","- C40 H72 O12 -","4","1","","Guindon, Yvan; Brigitte Guérin; Cardinal-David, Benoit","Structure of GUIN23","Journal of Organic Chemistry","2005","70","","776","784","10.1021/jo048687j","","","1.54178","CuKα","","0.0853","0.0743","","","0.2162","0.2277","","","","","","1.073","","","","has coordinates","201926","2020-10-21","18:00:00",""
"4020060","5.178","0.001","7.536","0.001","14.232","0.001","95.17","0.009","99.84","0.01","108.99","0.01","511.03","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl (2R*,3aS*)-2-(Aminocarbonyl) tetrahydropyrrolo[1,2-b]isoxazole-3a(4H)-carboxylate","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C18 H28 N4 O8 -","2","1","","Franca M. Cordero; Federica Pisaneschi; Karina Meschini Batista; Silvia Valenza; Fabrizio Machetti; Alberto Brandi","","Journal of Organic Chemistry","2005","70","","856","867","10.1021/jo0487653","","","1.54178","CuKα","","0.0504","0.0485","","","0.1239","0.1262","","","","","","1.065","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020061","6.527","0.001","10.719","0.001","23.553","0.003","90","0.007","90","0.007","90","0.008","1647.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2R,7aR)-3-Oxo-2-{[(1R)-1-phenylethyl]amino} tetrahydro-1H-pyrrolizine-7a(5H)-carboxylate","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","1","","Franca M. Cordero; Federica Pisaneschi; Karina Meschini Batista; Silvia Valenza; Fabrizio Machetti; Alberto Brandi","","Journal of Organic Chemistry","2005","70","","856","867","10.1021/jo0487653","","","1.54178","CuKα","","0.0389","0.0387","","","0.1089","0.1094","","","","","","1.047","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020062","15.9446","0.0012","16.674","0.0013","6.3663","0.0005","90","","90","","90","","1692.5","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H21 Cl2 N O -","- C17 H21 Cl2 N O -","- C68 H84 Cl8 N4 O4 -","4","1","","Yu-Gui Si; Song-Po Guo; Wan-Jun Wang; Biao Jiang","","Journal of Organic Chemistry","2005","70","","1494","1496","10.1021/jo048101t","","","0.71073","MoKα","","0.0552","0.0422","","","0.0885","0.0933","","","","","","0.952","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020063","10.814","0.0001","13.7985","0.0002","23.5044","0.0003","90","","90","","90","","3507.26","0.07","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C152 H160 O56 -","8","1","","Craig I. Turner; Michael N. Paddon-Row; Anthony C. Willis; Michael S. Sherburn","","Journal of Organic Chemistry","2005","70","","1154","1163","10.1021/jo048108a","","","0.71073","MoKα","","0.0392","0.0339","","0.0451","0.041","0.041","","","","","","1.0803","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020064","8.8162","0.0001","10.3256","0.0002","19.0296","0.0003","90","","94.8911","0.0006","90","","1726.01","0.05","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C76 H80 O28 -","4","1","","Craig I. Turner; Michael N. Paddon-Row; Anthony C. Willis; Michael S. Sherburn","","Journal of Organic Chemistry","2005","70","","1154","1163","10.1021/jo048108a","","","0.71073","MoKα","","0.0371","0.0318","","0.0424","0.0386","0.0386","","","","","","1.112","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020065","8.549","0.004","10.236","0.004","35.646","0.015","90","","90","","90","","3119","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Isoxazolidine","","","- C32 H37 N O8 S -","- C32 H37 N O8 S -","- C128 H148 N4 O32 S4 -","4","1","","Narayan S. Karunjule; Shankar D. Markad; Tarun Sharma; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","","Journal of Organic Chemistry","2005","70","","1356","1363","10.1021/jo048176x","","","0.71073","MoKα","","0.0584","0.044","","","0.0976","0.1099","","","","","","1.126","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020066","6.0773","0.0014","18.504","0.004","13.822","0.003","90","","98.045","0.005","90","","1539","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Isoxazolidine","","","- C32 H37 N O8 S -","- C32 H37 N O8 S -","- C64 H74 N2 O16 S2 -","2","1","","Narayan S. Karunjule; Shankar D. Markad; Tarun Sharma; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","","Journal of Organic Chemistry","2005","70","","1356","1363","10.1021/jo048176x","","","0.71073","MoKα","","0.0912","0.0471","","","0.0831","0.095","","","","","","1.014","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020067","9.14","0.0018","11.024","0.002","12.862","0.003","66.1","0.03","83.81","0.03","86.17","0.03","1177.5","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H9 Cl9 -","- C26 H8 Cl9.0015 -","- C52 H16 Cl18.003 -","2","1","","Su-Yuan Xie; Yin Peng; Meng Chen; Rong-Bin Huang; Yuan L. Chow; Lan-Sun Zheng","","Journal of Organic Chemistry","2005","70","","1400","1407","10.1021/jo048190+","","","0.71073","MoKα","","0.1699","0.0721","","","0.1425","0.1832","","","","","","1.022","","","","has coordinates","201202","2020-10-21","18:00:00",""
"4020068","18.836","0.003","14.828","0.003","14.441","0.003","90","","99.516","0.003","90","","3978.1","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 Cl3 N2 O4 -","- C49 H36 Cl3 N2 O4 -","- C196 H144 Cl12 N8 O16 -","4","0.5","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.71073","MoKα","","0.1535","0.0777","","","0.2011","0.248","","","","","","1.039","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020069","19.55","0.003","14.449","0.002","14.925","0.002","90","","96.767","0.003","90","","4186.7","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H42 N2 O4.5 -","- C52 H42 N2 O4.5 -","- C208 H168 N8 O18 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.71073","MoKα","","0.1289","0.0908","","","0.26","0.2954","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020070","11.2677","0.0019","16.808","0.003","25.638","0.004","90","","90","","90","","4855.5","1.4","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H50 N2 O6 -","- C62 H50 N2 O6 -","- C248 H200 N8 O24 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.71073","MoKα","","0.1616","0.0818","","","0.1983","0.2358","","","","","","0.847","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020071","22.015","0.005","13.7857","0.0008","14.917","0.002","90","","108.93","0.02","90","","4282","1","298.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 N2 O4 -","- C54 H46 N2 O4 -","- C216 H184 N8 O16 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","1.5418","CuKα","","","0.0534","","","","0.0736","","","","","","1.696","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020072","21.571","0.004","10.548","0.002","19.756","0.003","90","","107.503","0.003","90","","4286","1","273.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 N2 O4 -","- C50 H54 N2 O4 -","- C200 H216 N8 O16 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.7107","MoKα","","","0.0685","","","","0.0768","","","","","","1.702","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020073","11.133","0.006","9.044","0.002","12.669","0.005","90","","90.45","0.04","90","","1275.6","0.7","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 N O3 -","- C29 H33 N O3 -","- C58 H66 N2 O6 -","2","1","","Stéphanie Desvergnes; Sandrine Py; Yannick Vallée","","Journal of Organic Chemistry","2005","70","","1459","1462","10.1021/jo048237r","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020074","6.102","0.002","9.911","0.004","30.75","0.01","90","","90","","90","","1859","1","150.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C96 H100 N4 O12 -","4","1","","Takashi Sakai; Yu Liu; Hiroshi Ohta; Toshinobu Korenaga; Tadashi Ema","","Journal of Organic Chemistry","2005","70","","1369","1375","10.1021/jo048243n","","","0.7107","MoKα","","","0.0694","","","","0.1851","","","","","","1.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020075","5.6757","0.001","21.665","0.004","16.651","0.003","90","","94.057","0.003","90","","2042.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 S2 -","- C16 H10 O2 S2 -","- C96 H60 O12 S12 -","6","1.5","","Yasuo Miyata; Tohru Nishinaga; Koichi Komatsu","Synthesis and Structural, Electronic, and Optical Properties of Oligo(thienylfuran)s in Comparison with Oligothiophenes and Oligofurans","Journal of Organic Chemistry","2005","70","","1147","1153","10.1021/jo048282z","","","0.71073","MoKα","","0.1615","0.0852","","","0.2019","0.2264","","","","","","1.094","","","","has coordinates,has disorder","178378","2020-10-21","18:00:00",""
"4020076","24.32","0.08","24.32","0.08","55.8","0.3","90","","90","","120","","28606","207","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C73 H80 Cl2 N2 O P2 Ru -","- C73 H72 Cl2 N2 O P2 Ru -","- C1314 H1296 Cl36 N36 O18 P36 Ru18 -","18","2","","Helen L. Ngo; Wenbin Lin","","Journal of Organic Chemistry","2005","70","","1177","1187","10.1021/jo048333s","","","0.71073","MoKα","","0.0932","0.0656","","","0.1416","0.1542","","","","","","1.086","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020077","5.8916","0.0004","8.8285","0.0005","26.731","0.0018","90","","90","","90","","1390.39","0.15","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F3 O2 -","- C14 H17 F3 O2 -","- C56 H68 F12 O8 -","4","1","","Alice E. Lurain; Patrick J. Carroll; Patrick J. Walsh","","Journal of Organic Chemistry","2005","70","","1262","1268","10.1021/jo048345d","","","0.71069","MoKα","","0.0505","0.0475","","","0.1255","0.1293","","","","","","1.068","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020078","17.069","0.006","5.886","0.002","12.681","0.005","90","","102.407","0.003","90","","1244.3","0.8","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H17 F O2 -","- C13 H17 F O2 -","- C52 H68 F4 O8 -","4","1","","Alice E. Lurain; Patrick J. Carroll; Patrick J. Walsh","","Journal of Organic Chemistry","2005","70","","1262","1268","10.1021/jo048345d","","","0.71069","MoKα","","0.0749","0.0598","","","0.1515","0.1696","","","","","","1.111","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020079","8.7951","0.0011","9.1204","0.0012","11.2495","0.0014","80.729","0.002","78.798","0.002","70.32","0.002","829","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Qinghai Zhang; Wei Xu; Xiyan Lu","","Journal of Organic Chemistry","2005","70","","1505","1507","10.1021/jo048414o","","","0.71073","MoKα","","0.0628","0.0476","","","0.1236","0.1317","","","","","","0.948","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020080","17.2682","0.0007","14.3146","0.0005","25.106","0.001","90","","90","","90","","6205.9","0.4","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C67.5 H77.25 N1.75 O12 -","- C67.5 H77.25 N1.75 O12 -","- C270 H309 N7 O48 -","4","1","","Anh Huu Tran; David O. Miller; Paris E. Georghiou","","Journal of Organic Chemistry","2005","70","","1115","1121","10.1021/jo0484427","","","0.71073","MoKα","","0.0476","0.0395","","","0.1053","0.111","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020081","6.435","0.005","6.853","0.005","12.112","0.005","90","0.005","103.75","0.005","90","0.005","518.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2R,3R)-1-Phenyl-2-methyl-1,3-butanediol-(1R,2R,3R)-anti,anti-5","","- C11 H16 O2 -","- C11 H16 O2 -","- C22 H32 O4 -","2","1","","Agnese Abate; Elisabetta Brenna; Claudio Fuganti; Francesco G. Gatti; Tommaso Giovenzana; Luciana Malpezzi; Stefano Serra","","Journal of Organic Chemistry","2005","70","","1281","1290","10.1021/jo048445j","","","1.54179","CuKα","","0.0473","0.04","","","0.117","0.1234","","","","","","1.066","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020082","4.966","0.004","9.84","0.009","6.919","0.005","90","","107.73","0.03","90","","322.1","0.5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4'-H~2~Bim","4,4'-Biimidazole","","- C6 H6 N4 -","- C6 H6 N4 -","- C12 H12 N8 -","2","0.5","","Yasushi Morita; Tsuyoshi Murata; Kozo Fukui; Satoru Yamada; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Hiroshi Kitagawa; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bonded Networks in Organic Conductors: Crystal Structures and Electronic Properties of Charge-Transfer Salts of Tetracyanoquinodimethane with 4,4'-Biimidazolium having Multi Protonated States","Journal of Organic Chemistry","2005","70","","2739","2744","10.1021/jo047768c","","","0.71069","MoKα","","0.0526","0.0382","","","0.084","0.089","","","","","","0.879","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020083","7.0007","0.0009","11.1965","0.0015","11.5453","0.0017","92.422","0.008","96.659","0.01","90.102","0.005","898","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","(4,4'-H~4~Bim)(TCNQ)~3~(H~2~O)~2~","Di-protonated 4,4'-Biimidazolium tetracyanoquinodimethide complex","","- C42 H24 N16 O2 -","- C42 H24 N16 O2 -","- C42 H24 N16 O2 -","1","0.5","","Yasushi Morita; Tsuyoshi Murata; Kozo Fukui; Satoru Yamada; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Hiroshi Kitagawa; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bonded Networks in Organic Conductors: Crystal Structures and Electronic Properties of Charge-Transfer Salts of Tetracyanoquinodimethane with 4,4'-Biimidazolium having Multi Protonated States","Journal of Organic Chemistry","2005","70","","2739","2744","10.1021/jo047768c","","","0.71075","MoKα","","0.1137","0.0594","","","0.1797","0.2243","","","","","","1.038","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020084","6.886","0.008","10.615","0.011","14.45","0.02","98.52","0.04","100.7","0.04","91.32","0.03","1025","2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","(4,4'-H~3~Bim)~2~(TCNQ)~3~","Mono-protonated 4,4'-biimidazolium tetracyanoquinodimethide complex","","- C48 H26 N20 -","- C48 H26 N20 -","- C48 H26 N20 -","1","0.5","","Yasushi Morita; Tsuyoshi Murata; Kozo Fukui; Satoru Yamada; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Hiroshi Kitagawa; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bonded Networks in Organic Conductors: Crystal Structures and Electronic Properties of Charge-Transfer Salts of Tetracyanoquinodimethane with 4,4'-Biimidazolium having Multi Protonated States","Journal of Organic Chemistry","2005","70","","2739","2744","10.1021/jo047768c","","","0.71075","MoKα","","0.0514","0.0401","","","0.1448","0.1569","","","","","","1.153","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020085","33.157","0.0006","8.369","0.0002","17.171","0.0004","90","","96.033","0.001","90","","4738.41","0.18","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C56 H54 O11 -","- C56 H54 O11 -","- C224 H216 O44 -","4","1","","Suvarn S. Kulkarni; Yi-Hung Liu; Shang-Cheng Hung","","Journal of Organic Chemistry","2005","70","","2808","2811","10.1021/jo047794a","","","0.71073","MoKα","","0.1441","0.093","","","0.2369","0.26","","","","","","1.593","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020086","6.5473","0.0002","10.862","0.0003","18.6055","0.0006","90","","90","","90","","1323.16","0.07","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1-Dibromo-2-(trans,trans-2-methoxy-1-methyl-3-phenylcyclopropyl)ethene","","- C13 H14 Br2 O -","- C13 H14 Br2 O -","- C52 H56 Br8 O4 -","4","1","","Gottschling, Stephen E.; Grant, Tina N.; Milnes, Kaarina K.; Jennings, Michael, C.; Baines, Kim M.","Cyclopropyl Alkynes as Mechanistic Probes to Distinguish Between Vinyl Radical and Ionic Intermediates","Journal of Organic Chemistry","2005","70","","2686","2695","10.1021/jo047797n","","","0.71073","MoKα","","0.0788","0.0611","","","0.1403","0.1512","","","","","","1.073","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020087","10.7665","0.0003","11.2765","0.0003","7.9422","0.0002","90","","100.695","0.001","90","","947.5","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-bromo-3-phenylcyclopent-3-en-2-one","","- C11 H9 Br O -","- C11 H9 Br O -","- C44 H36 Br4 O4 -","4","1","","Gottschling, Stephen E.; Grant, Tina N.; Milnes, Kaarina K.; Jennings, Michael, C.; Baines, Kim M.","Cyclopropyl Alkynes as Mechanistic Probes to Distinguish Between Vinyl Radical and Ionic Intermediates","Journal of Organic Chemistry","2005","70","","2686","2695","10.1021/jo047797n","","","0.71073","MoKα","","0.0814","0.0475","","","0.1193","0.1344","","","","","","1.042","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020088","12.3996","0.0002","9.324","0.0001","33.224","0.0005","90","","95.5013","0.0004","90","","3823.46","0.09","295.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C184 H136 N24 O16 -","8","2","","Sun-Liang Cui; Xu-Feng Lin; Yan-Guang Wang","","Journal of Organic Chemistry","2005","70","","2866","2869","10.1021/jo047823h","","","0.7107","MoKα","","","0.051","","","","0.131","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020089","13.45","0.01","19.8","0.01","18.97","0.01","90","","93.82","0.03","90","","5039.6","0.6","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H36 Cl2 Rh2 -","- C40 H36 Cl2 Rh2 -","- C240 H216 Cl12 Rh12 -","6","3","","Yusuke Otomaru; Kazuhiro Okamoto; Ryo Shintani; Tamio Hayashi","","Journal of Organic Chemistry","2005","70","","2503","2508","10.1021/jo047831y","","","0.7107","MoKα","","","0.029","","","","0.043","","","","","","2.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020090","9.2462","0.0006","8.8456","0.0006","32.222","0.002","90","","90","","90","","2635.3","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,11-dicyclopropylpyrido[2,3-e]Bis[1,2,4]triazolo[4,3-a:3',4'-c]pyrazine","","- C15 H13 N7 -","- C15 H13 N7 -","- C120 H104 N56 -","8","1","","Unciti-Broceta, A.; Pineda-de-las-Infantas, M.J.; Díaz-Mochón, J.J.; Romagnoli, R.; Baraldi, P.G.; Gallo, M.A.; Espinosa, A.","","Journal of Organic Chemistry","2005","70","","2878","2880","10.1021/jo0478398","","","0.71073","MoKα","","0.0726","0.0569","","","0.1302","0.1383","","","","","","1.136","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020091","9.9826","0.0009","14.2394","0.0013","15.8551","0.0014","100.842","0.001","106.831","0.001","97.898","0.001","2074.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-chloro-9-cyclopropylpyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazine","","- C11 H8 Cl N5 -","- C11 H8 Cl N5 -","- C88 H64 Cl8 N40 -","8","4","","Unciti-Broceta, A.; Pineda-de-las-Infantas, M.J.; Díaz-Mochón, J.J.; Romagnoli, R.; Baraldi, P.G.; Gallo, M.A.; Espinosa, A.","","Journal of Organic Chemistry","2005","70","","2878","2880","10.1021/jo0478398","","","0.71073","MoKα","","0.0932","0.0629","","","0.1224","0.1341","","","","","","1.059","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020092","7.545","0.002","17.79","0.006","8.415","0.003","90","","91.146","0.009","90","","1129.3","0.6","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 F3 N O3 -","- C9 H14 F3 N O3 -","- C36 H56 F12 N4 O12 -","4","1","","Gary A. Molander; Elizabeth Pollina Cormier","","Journal of Organic Chemistry","2005","70","","2622","2626","10.1021/jo047887s","","","0.71069","MoKα","","0.0663","0.0558","","","0.1499","0.1622","","","","","","1.1","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020093","6.7547","0.0009","7.2224","0.0009","34.039","0.004","90","","95.258","0.006","90","","1653.6","0.4","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","","Gary A. Molander; Elizabeth Pollina Cormier","","Journal of Organic Chemistry","2005","70","","2622","2626","10.1021/jo047887s","","","0.71069","MoKα","","0.1106","0.0796","","","0.2005","0.2234","","","","","","1.064","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020094","8.101","0.006","9.767","0.007","18.669","0.013","90","","90","","90","","1477.3","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O2 -","- C16 H17 Br O2 -","- C64 H68 Br4 O8 -","4","1","","Shengming Ma; Bin Wu; Xuefeng Jiang; Shimin Zhao","","Journal of Organic Chemistry","2005","70","","2568","2575","10.1021/jo0480038","","","0.71073","MoKα","","0.0711","0.0376","","","0.0663","0.0717","","","","","","0.772","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020095","10.1964","0.0007","14.2476","0.0009","18.0359","0.0011","90","","91.374","0.004","90","","2619.4","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-bis(2-methylphenyl)-1,2-bis(4-carbmethoxyphenyl)- 1,2-ethanediol","","- C32 H30 O6 -","- C32 H30 O6 -","- C128 H120 O24 -","4","0.5","","Konosonoks, Armands; Wright, P. John; Tsao, Meng-Lin; Pika, Jana; Novak, Kevin; Mandel, Sarah M.; Krause Bauer, Jeanette A.; Bohne, Cornelia; Gudmundsdóttir, Anna D.","Photoenolization of 2-(2-Methyl Benzoyl) Benzoic Acid, Methyl Ester: Effect of E Photoenol Lifetime on the Photochemistry","The Journal of Organic Chemistry","2005","70","7","2763","2770","10.1021/jo048055x","","","1.54178","CuKα","","0.0599","0.0483","","","0.1331","0.1411","","","","","","1.053","","","","has coordinates","270065","2021-10-23","05:09:20",""
"4020096","8.0922","0.0009","8.6918","0.0009","10.0834","0.001","111.314","0.002","91.303","0.002","108.706","0.002","617.96","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)benzoic acid methyl ester","","- C16 H12 O4 -","- C16 H12 O4 -","- C32 H24 O8 -","2","1","","Konosonoks, Armands; Wright, P. John; Tsao, Meng-Lin; Pika, Jana; Novak, Kevin; Mandel, Sarah M.; Krause Bauer, Jeanette A.; Bohne, Cornelia; Gudmundsdóttir, Anna D.","Photoenolization of 2-(2-Methyl Benzoyl) Benzoic Acid, Methyl Ester: Effect of E Photoenol Lifetime on the Photochemistry","The Journal of Organic Chemistry","2005","70","7","2763","2770","10.1021/jo048055x","","","0.71073","MoKα","","0.0639","0.0469","","","0.1073","0.1145","","","","","","1.032","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020097","7.727","0.0004","9.1842","0.0005","11.0217","0.0005","112.124","0.001","109.389","0.001","91.253","0.001","673.76","0.06","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","2-(2-formyl-benzyl)benzoic acid methyl ester","","- C16 H12 O4 -","- C16 H12 O4 -","- C32 H24 O8 -","2","1","","Konosonoks, Armands; Wright, P. John; Tsao, Meng-Lin; Pika, Jana; Novak, Kevin; Mandel, Sarah M.; Krause Bauer, Jeanette A.; Bohne, Cornelia; Gudmundsdóttir, Anna D.","Photoenolization of 2-(2-Methyl Benzoyl) Benzoic Acid, Methyl Ester: Effect of E Photoenol Lifetime on the Photochemistry","The Journal of Organic Chemistry","2005","70","7","2763","2770","10.1021/jo048055x","","","0.71073","MoKα","","0.0534","0.0382","","","0.0994","0.1108","","","","","","1.035","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020098","28.868","0.013","7.868","0.003","6.302","0.003","90","","90","","90","","1431.5","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H22 Cl N O -","- C14 H22 Cl N O -","- C56 H88 Cl4 N4 O4 -","4","1","","Shengming Ma; Bin Wu; Xuefeng Jiang","","Journal of Organic Chemistry","2005","70","","2588","2593","10.1021/jo0480996","","","0.71073","MoKα","","0.0879","0.0764","","","0.2031","0.2143","","","","","","1.053","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020099","8.664","0.0016","9.292","0.0017","9.9179","0.0019","104.905","0.003","103.761","0.003","101.298","0.003","720.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N O -","- C16 H18 Cl N O -","- C32 H36 Cl2 N2 O2 -","2","1","","Shengming Ma; Bin Wu; Xuefeng Jiang","","Journal of Organic Chemistry","2005","70","","2588","2593","10.1021/jo0480996","","","0.71073","MoKα","","0.0921","0.0508","","","0.0927","0.105","","","","","","0.828","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020100","21.3129","0.0003","31.6796","0.0005","7.7621","0.0001","90","","90","","90","","5240.8","0.1","296.2","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H26 N6 O S -","- C30 H26 N6 O S -","- C240 H208 N48 O8 S8 -","8","1","","Hidehiro Sakurai; Mendra T. S. Ritonga; Harumi Shibatani; Toshikazu Hirao","","Journal of Organic Chemistry","2005","70","","2754","2762","10.1021/jo048324j","","","0.7107","MoKα","","","0.0546","","","","0.1804","","","","","","0.78","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020101","6.2277","0.0005","19.004","0.002","21.034","0.002","90","","93.283","0.002","90","","2485.4","0.3","277.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N6 -","- C32 H26 N6 -","- C128 H104 N24 -","4","1","","Hidehiro Sakurai; Mendra T. S. Ritonga; Harumi Shibatani; Toshikazu Hirao","","Journal of Organic Chemistry","2005","70","","2754","2762","10.1021/jo048324j","","","0.7107","MoKα","","","0.0658","","","","0.1941","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020102","15.87156","0.00003","11.15139","0.00004","15.78242","0.00001","90","","135.908","0.0002","90","","1943.64","0.008","173","1","173","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 -","- C29 H18 -","- C116 H72 -","4","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.71069","MoKα","","0.1101","0.0812","","","0.1597","0.1713","","","","","","1.145","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020103","12.9713","0.0009","9.9393","0.0007","16.472","0.001","90","","95.578","0.002","90","","2113.7","0.2","173.2","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C31 H18 -","- C31 H18 -","- C124 H72 -","4","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.7107","MoKα","","","0.0553","","","","0.1407","","","","","","1.577","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020104","7.411","0.003","10.466","0.004","11.746","0.005","116.09","0.03","104.12","0.04","92.52","0.03","781.5","0.5","120","1","120","1","","","","","","","","2","P 1","P 1","1","","","","- C49 H26 -","- C49 H26 -","- C49 H26 -","1","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.71075","MoKα","","0.129","0.0826","","","0.2003","0.2269","","","","","","1.044","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020105","5.9175","","17.806","0.0001","15.1418","0.0001","90","","93.1104","0.0006","90","","1593.11","0.02","173.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 O -","- C24 H12 O -","- C96 H48 O4 -","4","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.7107","MoKα","","","0.0406","","","","0.1003","","","","","","0.76","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020106","8.9492","0.0012","22.822","0.003","13.7252","0.0018","90","","102.24","0.003","90","","2739.5","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N S2 -","- C35 H27 N S2 -","- C140 H108 N4 S8 -","4","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.1764","0.0578","","","0.0906","0.1162","","","","","","0.699","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020107","7.5426","0.001","12.0543","0.0015","22.414","0.003","90","","90.244","0.003","90","","2037.9","0.4","295","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N -","- C28 H23 N -","- C112 H92 N4 -","4","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.2021","0.056","","","0.0757","0.0998","","","","","","0.728","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020108","10.5425","0.0007","11.792","0.0005","19.307","0.002","88.382","0.006","80.163","0.007","71.376","0.005","2240.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H48 Cl2 N2 -","- C56 H43 N2 -","- C112 H86 N4 -","2","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","1.5418","CuKα","","0.0971","0.0788","","","0.2301","0.2478","","","","","","0.981","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020109","7.484","0.002","12.286","0.004","16.015","0.005","101.624","0.007","91.596","0.006","101.812","0.007","1408.1","0.7","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H31 N -","- C40 H31 N -","- C80 H62 N2 -","2","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.2128","0.0712","","","0.1252","0.1673","","","","","","0.747","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020110","10.014","0.003","11.776","0.003","12.422","0.003","93.439","0.006","103.626","0.005","91.543","0.006","1419.8","0.6","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H31 N -","- C40 H31 N -","- C80 H62 N2 -","2","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.146","0.0531","","","0.0803","0.1008","","","","","","0.766","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020111","8.099","0.002","13.782","0.004","25.681","0.007","90","","95.354","0.006","90","","2854","1.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 N -","- C40 H31 N -","- C160 H124 N4 -","4","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.23","0.057","","","0.0837","0.1187","","","","","","0.703","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020112","11.1642","0.0015","11.6529","0.0016","12.7118","0.0017","82.228","0.003","67.199","0.003","70.834","0.003","1440","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H31 N -","- C40 H31 N -","- C80 H62 N2 -","2","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.1111","0.0477","","","0.0705","0.0837","","","","","","0.782","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020113","11.145","0.003","22.855","0.007","10.089","0.004","90","","90","","90","","2569.9","1.4","298","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","(aS,S)-piperidinomethylpyrrolidine","","","- C29 H35 N2 O P -","- C29 N2 O P -","- C116 N8 O4 P4 -","4","1","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","1.54178","CuKα","","0.051","0.048","","0.261","0.261","0.261","","","0.753","0.596","0.596","0.596","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020114","15.889","0.005","13.899","0.006","10.271","0.003","90","","99.75","0.03","90","","2235.4","1.4","298","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","3-Bromo-N-(2-diPhPO-6-MeOphenyl)piperidine","","","- C24 H25 Br N O2 P -","- C24 Br N O2 P -","- C96 Br4 N4 O8 P4 -","4","2","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","1.54178","CuKα","","0.05","0.048","","0.178","0.177","0.177","","","0.779","0.718","0.718","0.718","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020115","15.852","0.005","13.838","0.006","10.219","0.003","90","","99.95","0.02","90","","2207.8","1.3","298","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(R)-Chlorpiperidine","","","- C24 H25 Cl N O2 P -","- C24 Cl N O2 P -","- C96 Cl4 N4 O8 P4 -","4","2","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","","CuKα","","0.045","0.041","","0.193","0.192","0.192","","","0.899","0.649","0.649","0.649","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020116","15.407","0.005","6.635","0.003","13.278","0.005","90","","99.97","0.03","90","","1337","0.9","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","(sR,S)pyperidinopyrrolidine","","","- C29 H35 N2 O P -","- C29 N2 O P -","- C58 N4 O2 P2 -","2","1","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","1.54178","CuKα","","0.06","0.052","","0.186","0.186","0.186","","","0.782","0.552","0.552","0.552","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020117","4.6416","0.0004","15.0604","0.0011","20.9786","0.0014","92.323","0.003","93.095","0.003","98.4404","0.0016","1446.75","0.19","180","2","180","2","","","","","","","","4","P -1","-P 1","2","H2salamo","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","2","","Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima","","Journal of Organic Chemistry","2005","70","","1704","1711","10.1021/jo048030y","","","0.71069","MoKα","","0.07","0.0453","","","0.1099","0.1213","","","","","","1.054","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020118","4.694","0.004","14.616","0.006","12.356","0.004","90","","98.065","0.003","90","","839.3","0.9","120","2","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","H2(3-MeOsalamo)","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","","Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima","","Journal of Organic Chemistry","2005","70","","1704","1711","10.1021/jo048030y","","","0.71069","MoKα","","0.2089","0.0816","","","0.1696","0.233","","","","","","0.979","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020119","33.113","0.005","16.85","0.003","12.654","0.002","90","","110.583","0.003","90","","6609.3","1.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","H2(3,5-tBu2salamo)","","","- C32 H48.5 N2 O4.25 -","- C32 H48 N2 O4.25 -","- C256 H384 N16 O34 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima","","Journal of Organic Chemistry","2005","70","","1704","1711","10.1021/jo048030y","","","0.71069","MoKα","","0.1138","0.0716","","","0.1515","0.1747","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020120","15.272","0.012","4.628","0.003","23.257","0.018","90","","104.485","0.011","90","","1591","2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","monomethoxy H2salamo","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima","","Journal of Organic Chemistry","2005","70","","1704","1711","10.1021/jo048030y","","","0.71069","MoKα","","0.1135","0.0749","","","0.1687","0.19","","","","","","1.054","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020121","8.9309","0.0008","11.7081","0.001","11.941","0.001","78.59","0.002","73.669","0.002","86.681","0.002","1174.54","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C54 H54 N2 O8 S2 -","2","1","","Min-Ruei Tsai; Bo-Fong Chen; Chih-Ching Cheng; Nein-Chen Chang","","Journal of Organic Chemistry","2005","70","","1780","1785","10.1021/jo048073e","","","0.71073","MoKα","","0.063","0.0462","","","0.1386","0.1531","","","","","","1.062","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020122","7.2994","0.0005","14.3444","0.0009","20.455","0.0013","90","","90","","90","","2141.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C92 H100 N4 O20 S4 -","4","1","","Min-Ruei Tsai; Bo-Fong Chen; Chih-Ching Cheng; Nein-Chen Chang","","Journal of Organic Chemistry","2005","70","","1780","1785","10.1021/jo048073e","","","0.71073","MoKα","","0.0503","0.0371","","","0.0879","0.0955","","","","","","1.074","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020123","8.2004","0.0001","22.606","0.0005","8.5199","0.0001","90","","117.599","0.001","90","","1399.69","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.0564","0.0496","","","0.1262","0.1316","","","","","","1.075","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020124","9.5717","0.0004","8.288","0.0003","18.8257","0.0008","90","","92.399","0.002","90","","1492.14","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.1142","0.0488","","","0.1003","0.1206","","","","","","0.948","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020125","11.1017","0.0003","11.9013","0.0004","24.0165","0.0007","90","","101.88","0.002","90","","3105.21","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N O -","- C20 H21 N O -","- C160 H168 N8 O8 -","8","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.058","0.0405","","","0.0915","0.1002","","","","","","1.047","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020126","10.5641","0.0003","15.7433","0.0005","8.3622","0.0002","90","","90","","90","","1390.75","0.07","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.0453","0.0352","","","0.0765","0.0806","","","","","","1.038","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020127","11.3938","0.0004","14.0951","0.0006","9.4791","0.0004","90","","92.901","0.002","90","","1520.36","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.0689","0.0432","","","0.0977","0.1098","","","","","","1.027","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020128","14.6421","0.0005","7.4495","0.0004","14.4893","0.0007","90","","116.974","0.002","90","","1408.51","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1545","1551","10.1021/jo048118b","","","0.71073","MoKα","","0.087","0.0441","","","0.0945","0.1111","","","","","","0.992","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020129","10.2478","0.0003","10.1404","0.0002","12.6013","0.0003","90","","95.208","0.001","90","","1304.08","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1545","1551","10.1021/jo048118b","","","0.71073","MoKα","","0.0472","0.0382","","","0.0931","0.0993","","","","","","1.034","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020130","10.15","0.0002","8.3473","0.0002","16.6953","0.0004","90","","92.633","0.001","90","","1413.02","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1545","1551","10.1021/jo048118b","","","0.71073","MoKα","","0.0543","0.0464","","","0.1098","0.1152","","","","","","1.026","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020131","6.1921","0.0001","15.5228","0.0003","14.087","0.0003","90","","99.315","0.001","90","","1336.17","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1545","1551","10.1021/jo048118b","","","0.71073","MoKα","","0.0624","0.0497","","","0.1173","0.1274","","","","","","1.046","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020132","4.919","0.005","7.728","0.007","12.222","0.012","75.244","0.016","83.76","0.017","78.475","0.017","439.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 I N O -","- C7 H12 I N O -","- C14 H24 I2 N2 O2 -","2","1","","Li Liu; Qian Chen; Yun-Dong Wu; Chaozhong Li","","Journal of Organic Chemistry","2005","70","","1539","1544","10.1021/jo0481349","","","0.71073","MoKα","","0.046","0.043","","","0.1082","0.1105","","","","","","1.103","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020133","8.607","0.003","9.146","0.003","15.608","0.002","90","","90.8","0.02","90","","1228.5","0.6","20","","193","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","?","- C312 H378 Cl46 N32 O96 P8 Si8 -","- C312 H378 Cl46 N32 O96 P8 Si8 -","","","","Li Liu; Qian Chen; Yun-Dong Wu; Chaozhong Li","","Journal of Organic Chemistry","2005","70","","1539","1544","10.1021/jo0481349","","","0.71073","MoKα","","0.1078","0.0614","","","0.1258","0.1454","","","","","","1.001","","","","has coordinates,has disorder","201202","2020-10-21","18:00:00",""
"4020134","26.465","0.0013","9.6298","0.0005","21.3983","0.0011","90","","105.37","0.001","90","","5258.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N O5 -","- C29 H31.5 N O5 -","- C232 H252 N8 O40 -","8","2","","Kay M. Brummond; Dennis P. Curran; Branko Mitasev; Stefan Fischer","","Journal of Organic Chemistry","2005","70","","1745","1753","10.1021/jo0481607","","","0.71073","MoKα","","0.1235","0.0718","","","0.1676","0.1877","","","","","","1.088","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020135","15.4047","0.0009","8.272","0.0005","15.9411","0.0009","90","","90","","90","","2031.3","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Kay M. Brummond; Dennis P. Curran; Branko Mitasev; Stefan Fischer","","Journal of Organic Chemistry","2005","70","","1745","1753","10.1021/jo0481607","","","0.71073","MoKα","","0.1158","0.0704","","","0.1252","0.1393","","","","","","1.089","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020136","31.545","0.005","6.9687","0.001","11.2953","0.0017","90","","94.753","0.003","90","","2474.5","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29.5 H28 Cl N O3 -","- C29.5 H28 Cl N O3 -","- C118 H112 Cl4 N4 O12 -","4","1","","Yong-Gui Zhou; Peng-Yu Yang; Xiu-Wen Han","","Journal of Organic Chemistry","2005","70","","1679","1683","10.1021/jo048212s","","","0.71073","MoKα","","0.1198","0.0711","","","0.1675","0.198","","","","","","0.888","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020137","19.0391","0.0012","11.1986","0.0007","23.9408","0.0015","90","","95.338","0.003","90","","5082.3","0.6","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C101 H132 N4 O44 -","- C101 H132 N4 O44 -","- C202 H264 N8 O88 -","2","1","","Huifang Wu; Denzil Bernard; Weibin Chen; Gary D. Strahan; Jeffrey R. Deschamps; Damon A. Parrish; John W. Lewis; Alexander D. MacKerell, Jr.; Andrew Coop","","Journal of Organic Chemistry","2005","70","","1907","1910","10.1021/jo048388u","","","1.54178","CuKα","","0.1029","0.0847","","","0.2246","0.2396","","","","","","1.048","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020138","10.265","0.001","11.501","0.004","20.442","0.005","90","","90","","90","","2413.3","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 N O5 -","- C29 H35 N O5 -","- C116 H140 N4 O20 -","4","1","","Huifang Wu; Denzil Bernard; Weibin Chen; Gary D. Strahan; Jeffrey R. Deschamps; Damon A. Parrish; John W. Lewis; Alexander D. MacKerell, Jr.; Andrew Coop","","Journal of Organic Chemistry","2005","70","","1907","1910","10.1021/jo048388u","","","1.54178","CuKα","","0.0634","0.0501","","","0.1334","0.1474","","","","","","1.032","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020139","11.5806","0.0002","22.8486","0.0004","12.1009","0.0002","90","","113.623","0.001","90","","2933.59","0.09","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H83 Cl2 N5 O2 S2 -","- C60 H83 Cl2 N5 O2 S2 -","- C120 H166 Cl4 N10 O4 S4 -","2","1","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.0988","0.0507","","","0.0909","0.1074","","","","","","0.986","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020140","15.1902","0.0005","18.6941","0.0006","20.9059","0.0008","90","","98.979","0.002","90","","5863.8","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H82 Cl5 N5 O S2 -","- C52 H78 Cl N5 O S2 -","- C208 H312 Cl4 N20 O4 S8 -","4","1","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.1892","0.0956","","","0.1495","0.1583","","","","","","1.727","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020141","10.4748","0.0002","13.6047","0.0002","13.2513","0.0002","90","","92.435","0.001","90","","1886.69","0.05","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 Cl4 N4 O S -","- C38 H44 Cl4 N4 O S -","- C76 H88 Cl8 N8 O2 S2 -","2","0.5","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.1085","0.0467","","","0.1002","0.117","","","","","","1.044","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020142","12.022","0.0002","14.461","0.0002","17.705","0.0003","70.801","0.0009","88.999","0.0008","72.493","0.0008","2760.82","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H81 Cl2 N5 O2 S2 -","- C55 H79 Cl2 N5 O2 S2 -","- C110 H158 Cl4 N10 O4 S4 -","2","1","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.1929","0.0754","","","0.1271","0.1416","","","","","","1.607","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020143","16.469","0.003","9.1484","0.0016","25.911","0.004","90","","106.831","0.004","90","","3736.6","1.1","223","2","223","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 -","- C53 H46 -","- C212 H184 -","4","1","","Michael J. Marsella; Kunsang Yoon; Samia Estassi; Fook S. Tham; Dan B. Borchardt; Binh H. Bui; Peter R. Schreiner","","Journal of Organic Chemistry","2005","70","","1881","1884","10.1021/jo0485132","","","0.71073","MoKα","","0.0868","0.0623","","","0.158","0.1788","","","","","","1.041","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020144","7.38","0.004","13.236","0.007","11.185","0.006","90","","90.073","0.009","90","","1092.5","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 B F2 N2 -","- C9 H17 B F2 N2 -","- C36 H68 B4 F8 N8 -","4","1","","Kyung-Ho Park; Will J. Marshall","","Journal of Organic Chemistry","2005","70","","2075","2081","10.1021/jo047798f","","","0.71069","MoKα","","0.1131","0.0724","","","0.2046","0.2318","","","","","","1.071","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020145","7.2817","0.0007","11.9407","0.0011","12.571","0.0012","90","","96.115","0.002","90","","1086.81","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cl N -","- C4 H8 Cl N -","- C32 H64 Cl8 N8 -","8","2","","Kyung-Ho Park; Will J. Marshall","","Journal of Organic Chemistry","2005","70","","2075","2081","10.1021/jo047798f","","","0.71073","MoKα","","0.0272","0.0244","","","0.0656","0.0675","","","","","","1.039","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020146","16.1895","0.0013","10.3998","0.0009","21.2941","0.0018","90","","92.68","0.002","90","","3581.3","0.5","187","2","187","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene","","- C52 H38 N2 -","- C52 H38 N2 -","- C208 H152 N8 -","4","0.5","","Xuefeng Mei; Christian Wolf","","Journal of Organic Chemistry","2005","70","","2299","2305","10.1021/jo0479361","","","0.71073","MoKα","","0.0774","0.052","","","0.1228","0.1309","","","","","","1.074","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020147","10.8531","0.0014","12.2879","0.0016","14.4533","0.0019","108.655","0.003","90.794","0.003","91.44","0.003","1825.2","0.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","Mono-cp3","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene-N-mono-oxide","","- C52 H38 N2 O -","- C52 H38 N2 O -","- C104 H76 N4 O2 -","2","1","","Xuefeng Mei; Christian Wolf","","Journal of Organic Chemistry","2005","70","","2299","2305","10.1021/jo0479361","","","0.71073","MoKα","","0.1614","0.0785","","","0.1789","0.206","","","","","","0.954","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020148","13.8017","0.0012","11.308","0.001","15.029","0.0014","90","","113.116","0.002","90","","2157.2","0.3","187","2","187","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene N,N-dioxides","","- C54 H42 Cl4 N2 O2 -","- C54 H42 Cl4 N2 O2 -","- C108 H84 Cl8 N4 O4 -","2","0.5","","Xuefeng Mei; Christian Wolf","","Journal of Organic Chemistry","2005","70","","2299","2305","10.1021/jo0479361","","","0.71073","MoKα","","0.0954","0.0619","","","0.1789","0.1958","","","","","","1.103","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020149","14.3227","0.0004","11.6876","0.0003","26.106","0.0008","90","","102.836","0.001","90","","4260.9","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-Ferrocenylsulfonyl-8-[(4-methylphenyl)sulfonyl]-5- [(4-vinylphenyl)sulfonyl]-2,5,8-triazatrindane","","- C38.5 H35 Cl2.77 Fe N3 O6 S3 -","- C38.5 H35 Cl2.76 Fe N3 O6 S3 -","- C154 H140 Cl11.04 Fe4 N12 O24 S12 -","4","1","","González, Ivan; Pla-Quintana, Anna; Roglans, Anna; Torrent, Anna; Moreno-Mañas, Marcial; Parella, Teodor; Benet-Buchholz, Jordi","Transition Metal-Mediated Intramolecular [2+2+2] Cycloadditions of Cyclic Triynes and Enediynes","Journal of Organic Chemistry","2005","70","","2033","2041","10.1021/jo048056p","","","0.71073","MoKα","","0.1214","0.069","","","0.1676","0.204","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020150","9.838","0.002","11.258","0.002","17.227","0.003","90","","106.15","0.03","90","","1832.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1,3-Di-tert-butyl-2,5-dioxo-imidazolidin-4-yl)-3,3,3-trifluoro-propionic acid ethyl ester","","- C16 H25 F3 N2 O4 -","- C16 H25 F3 N2 O4 -","- C64 H100 F12 N8 O16 -","4","1","","A.Volonterio; C. Ramirez de Arellano; M. Zanda","Synthesis of 1,3,5-trisubstituted hydantoins by regiospecific domino condensation/aza-Michael/O-N acyl migration of carbodiimides with activated α,β-carboxylic acids","Journal of Organic Chemistry","2005","70","","2161","2170","10.1021/jo0480848","","","0.71073","MoKα","","0.0514","0.0404","","","0.1056","0.1123","","","","","","1.025","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020151","19.684","0.004","5.4468","0.0011","20.36","0.004","90","","118.43","0.03","90","","1919.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3-(4-methoxy-phenyl)-5-(2,2,2-trifluoro-1-trifluoromethyl-ethyl) -imidazolidine-2,4-dione","","- C20 H16 F6 N2 O3 -","- C20 H16 F6 N2 O3 -","- C80 H64 F24 N8 O12 -","4","1","","A.Volonterio; C. Ramirez de Arellano; M. Zanda","Synthesis of 1,3,5-trisubstituted hydantoins by regiospecific domino condensation/aza-Michael/O-N acyl migration of carbodiimides with activated α,β-carboxylic acids","Journal of Organic Chemistry","2005","70","","2161","2170","10.1021/jo0480848","","","0.71073","MoKα","","0.0517","0.0353","","","0.083","0.0902","","","","","","1.026","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020152","12.3045","0.0006","15.9117","0.0007","24.1391","0.0012","90","","90","","90","","4726.1","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H38 B2 F6 N2 -","- C20 H38 B2 F6 N2 -","- C160 H304 B16 F48 N16 -","8","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0651","0.0405","","","0.0876","0.0982","","","","","","1.009","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020153","7.8196","0.0009","11.4374","0.0012","19.142","0.002","90","","90","","90","","1712","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B F3 N -","- C17 H25 B F3 N -","- C68 H100 B4 F12 N4 -","4","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0673","0.0432","","","0.0924","0.1043","","","","","","0.971","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020154","8.1041","0.0007","10.5248","0.0008","10.7006","0.0009","102.898","0.002","95.855","0.002","107.391","0.002","834.92","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 Cl N -","- C18 H28 Cl N -","- C36 H56 Cl2 N2 -","2","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0564","0.0436","","","0.1126","0.1198","","","","","","1.019","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020155","12.3939","0.0013","13.7953","0.0014","14.2655","0.0015","107.587","0.002","113.209","0.003","90.358","0.003","2114.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H36 Cl N -","- C21 H36 Cl N -","- C84 H144 Cl4 N4 -","4","2","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0857","0.0518","","","0.1097","0.1223","","","","","","1.019","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020156","10.6045","0.001","11.0631","0.001","19.7482","0.0019","90","","90","","90","","2316.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H19 B F3 N -","- C10 H19 B F3 N -","- C80 H152 B8 F24 N8 -","8","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0536","0.0419","","","0.0992","0.105","","","","","","1.118","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020157","7.94","0.002","15.739","0.004","13.357","0.003","90","","105.846","0.004","90","","1605.7","0.6","296.2","","296.2","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl N4 Pd -","- C16 H17 Cl N4 Pd -","- C64 H68 Cl4 N16 Pd4 -","4","1","","Takashi Mino; Yoshiaki Shirae; Masami Sakamoto; Tsutomu Fujita","","Journal of Organic Chemistry","2005","70","","2191","2194","10.1021/jo048107i","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020158","5.63","0.0003","9.508","0.0005","9.74","0.001","100.476","0.006","99.667","0.006","104.537","0.004","483.63","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-((-Nitromethyl)-1,6,7,7a-tetrahydro-3a,6-epoxy-2-benzothiophene","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","1","","Irishi N. N. Namboothiri; Madhu Ganesh; Shaikh M. Mobin; Miriam Cojocaru","","Journal of Organic Chemistry","2005","70","","2235","2243","10.1021/jo048262x","","","0.71073","MoKα","","0.0394","0.0351","","","0.0857","0.0897","","","","","","1.046","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4020159","8.167","0.0013","10.762","0.0012","11.823","0.002","103.069","0.013","95.201","0.018","89.954","0.011","1007.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-((-Nitromethyl)-4,4a,5,6-tetrahydro-3H-6,8a,7,8-diepoxyisochromene","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C40 H52 N4 O20 -","4","2","","Irishi N. N. Namboothiri; Madhu Ganesh; Shaikh M. Mobin; Miriam Cojocaru","","Journal of Organic Chemistry","2005","70","","2235","2243","10.1021/jo048262x","","","0.71073","MoKα","","0.0694","0.0374","","","0.0941","0.107","","","","","","1.015","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020160","8.528","0.001","10.67","0.0007","16.31","0.001","90","","103.067","0.007","90","","1445.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5R,6R)-1,3,3a,4,5,6-Hexahydro-1-(nitromethyl) isobenzofuran-5,6-diacetate","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","1","","Irishi N. N. Namboothiri; Madhu Ganesh; Shaikh M. Mobin; Miriam Cojocaru","","Journal of Organic Chemistry","2005","70","","2235","2243","10.1021/jo048262x","","","0.71073","MoKα","","0.1076","0.045","","","0.1037","0.124","","","","","","0.995","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020161","30.727","0.004","8.2906","0.001","29.838","0.004","90","","104.767","0.002","90","","7350","1.5","130","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H60 N O4.5 S Si2 -","- C32 H60 N O4.5 S Si2 -","- C256 H480 N8 O36 S8 Si16 -","8","1","","Kathryn Hassall; Sofia Lobachevsky; Jonathan M. White","","Journal of Organic Chemistry","2005","70","","1993","1997","10.1021/jo048384p","","","0.71073","MoKα","","0.0854","0.0491","","","0.0908","0.0987","","","","","","0.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020162","8.2494","0.0012","10.7414","0.0016","12.6185","0.0018","83.686","0.002","75.608","0.002","70.555","0.002","1020.8","0.3","130","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H30 F3 N O3 S Si -","- C17 H30 F3 N O3 S Si -","- C34 H60 F6 N2 O6 S2 Si2 -","2","1","","Kathryn Hassall; Sofia Lobachevsky; Jonathan M. White","","Journal of Organic Chemistry","2005","70","","1993","1997","10.1021/jo048384p","","","0.71073","MoKα","","0.0454","0.04","","","0.1065","0.1104","","","","","","1.04","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020163","10.159","0.001","11.094","0.001","17.907","0.001","90","0.003","90","0.003","90","0.003","2018.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R,E,SS)-Trimethyl-[2-(2-tert-butoxycarbonylamino-2- methoxycarbonylethylsulfinyl)vinyl]silane","","- C14 H27 N O5 S Si -","- C14 H27 N O5 S Si -","- C56 H108 N4 O20 S4 Si4 -","4","1","","Maria C. Aversa; Anna Barattucci; Paola Bonaccorsi; Placido Giannetto","L-Cysteine, a Versatile Source of Sulfenic Acids. Synthesis of Enantiopure Alliin analogues","Journal of Organic Chemistry","2005","70","","1986","1992","10.1021/jo048662k","","","1.54178","CuKα","","0.0707","0.0623","","","0.1367","0.1405","","","","","","1.171","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020164","34.3241","0.0015","18.0281","0.0008","18.0481","0.0008","90","","90","","90","","11168.1","0.9","143","1","143","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C128 H134 N4 O25 Pd -","- C128 H134 N4 O25 Pd -","- C512 H536 N16 O100 Pd4 -","4","1","","Olga S. Finikova; Sergei E. Aleshchenkov; Raymond P. Brinas; Andrei V. Cheprakov; Patrick J. Carroll; Sergei A. Vinogradov","","Journal of Organic Chemistry","2005","70","","4617","4628","10.1021/jo047741t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020165","8.872","0.003","17.86","0.007","10.311","0.004","90","","94.796","0.006","90","","1628.1","1.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H41 N O3 Sn -","- C37 H41 N O3 Sn -","- C74 H82 N2 O6 Sn2 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020166","5.4049","0.0019","8.413","0.003","17.658","0.006","90","","92.23","0.006","90","","802.3","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O2 S -","- C15 H20 N4 O2 S -","- C30 H40 N8 O4 S2 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020167","8.87","0.002","5.2473","0.0014","21.735","0.006","90","","97.428","0.006","90","","1003.1","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O -","- C25 H27 N O -","- C50 H54 N2 O2 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020168","6.4713","0.0018","27.311","0.007","14.938","0.004","90","","90.22","0.005","90","","2640","1.2","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H68 Br2 N2 O10 -","- C54 H68 Br2 N2 O10 -","- C108 H136 Br4 N4 O20 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020169","8.5839","0.0016","14.514","0.003","30.157","0.006","90","","90","","90","","3757.3","1.2","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H45 Br N2 O4 S -","- C40 H45 Br N2 O4 S -","- C160 H180 Br4 N8 O16 S4 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020170","6.419","0.0011","17.531","0.003","22.374","0.004","90","","90","","90","","2517.8","0.8","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 Br N O4 -","- C26 H32 Br N O4 -","- C104 H128 Br4 N4 O16 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020171","5.554","0.003","10.954","0.005","20.878","0.009","90","","90","","90","","1270.2","1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Br O2 -","- C14 H17 Br O2 -","- C56 H68 Br4 O8 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020172","15.123","0.003","12.592","0.003","25.895","0.005","90","","94.988","0.003","90","","4912.4","1.7","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H32 Br N O3 -","- C26 H32 Br N O3 -","- C208 H256 Br8 N8 O24 -","8","2","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020173","6.149","0.002","24.262","0.008","16.606","0.005","90","","99.24","0.006","90","","2445.3","1.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Br N O4 -","- C26 H32 Br N O4 -","- C104 H128 Br4 N4 O16 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020174","7.623","0.003","6.294","0.003","15.896","0.006","90","","100.643","0.007","90","","749.6","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 Br N O3 -","- C15 H18 Br N O3 -","- C30 H36 Br2 N2 O6 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020175","12.374","0.007","6.317","0.004","18.86","0.011","90","","94.881","0.01","90","","1468.8","1.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 Br N O5 -","- C30 H38 Br N O5 -","- C60 H76 Br2 N2 O10 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020176","13.251","0.001","17.85","0.002","7.369","0.001","90","","92.1","0.01","90","","1741.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Br F3 N4 O2 -","- C17 H10 Br F3 N4 O2 -","- C68 H40 Br4 F12 N16 O8 -","4","1","","Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Gabriella Macaluso; Nicolò Vivona; Domenico Spinelli; Gianluca Giorgi","","Journal of Organic Chemistry","2005","70","","3288","3291","10.1021/jo047766s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020177","7.9132","0.0012","9.9342","0.0016","10.9874","0.0018","109.281","0.003","97.029","0.003","107.275","0.003","754.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cl2 F2 N O4 -","- C13 H13 Cl2 F2 N O4 -","- C26 H26 Cl4 F4 N2 O8 -","2","1","","Fu-Lu Zhao; Jin-Tao Liu","","Journal of Organic Chemistry","2005","70","","3801","3805","10.1021/jo0477852","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020178","9.287","0.0002","9.393","0.0002","10.735","0.0003","81.726","0.001","72.983","0.001","71.805","0.002","849.25","0.03","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C46 H36 N4 -","2","1","","Arumugasamy Elangovan; Kuo-Ming Kao; Shu-Wen Yang; Yu-Ling Chen; Tong-Ing Ho; Yuhlong Oliver Su","","Journal of Organic Chemistry","2005","70","","4460","4469","10.1021/jo0477953","","","","","","","0.0483","","","0.1278","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020179","9.204","0.0002","9.325","0.0002","11.096","0.0003","72.871","0.002","80.424","0.001","71.413","0.001","859.86","0.04","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N -","- C24 H19 N -","- C48 H38 N2 -","2","1","","Arumugasamy Elangovan; Kuo-Ming Kao; Shu-Wen Yang; Yu-Ling Chen; Tong-Ing Ho; Yuhlong Oliver Su","","Journal of Organic Chemistry","2005","70","","4460","4469","10.1021/jo0477953","","","","","","","0.0451","","","0.1232","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020180","14.2335","0.0003","7.2938","0.0007","18.4191","0.0009","90","","90","","90","","1912.2","0.2","295","2","295","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","0.5","","Man-kit Leung; M. Balaji Viswanath; Pi-Tai Chou; Shih-Chieh Pu; Hsin-Chieh Lin; Bih-Yaw Jin","","Journal of Organic Chemistry","2005","70","","3560","3568","10.1021/jo047802n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020181","5.4679","0.0004","10.7485","0.0008","11.6878","0.0008","89.132","0.001","81.738","0.001","82.582","0.001","674.09","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 F6 O2 Sb -","- C10 H13 F6 O2 Sb -","- C20 H26 F12 O4 Sb2 -","2","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020182","11.9578","0.0008","8.3099","0.0006","12.325","0.0008","90","","106.164","0.001","90","","1176.3","0.14","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 F6 O2 Sb -","- C8 H9 F6 O2 Sb -","- C32 H36 F24 O8 Sb4 -","4","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020183","23.943","0.002","8.1333","0.0007","12.6599","0.0011","90","","105.33","0.004","90","","2377.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 F6 O2 Sb -","- C6 H13 F6 O2 Sb -","- C48 H104 F48 O16 Sb8 -","8","2","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020184","6.7427","0.0005","8.3135","0.0006","10.9042","0.0008","100.161","0.002","95.705","0.002","108.593","0.002","562.26","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 F8 O2 Sb -","- C7 H5 F8 O2 Sb -","- C14 H10 F16 O4 Sb2 -","2","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020185","8.2975","0.0007","11.5995","0.0011","21.6279","0.0019","90","","90","","90","","2081.6","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 As F8 O2 -","- C7 H5 As F8 O2 -","- C56 H40 As8 F64 O16 -","8","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020186","7.6413","0.0005","19.59","0.0012","12.4123","0.0008","90","","102.162","0.001","90","","1816.3","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 As F6 O4 -","- C16 H17 As F6 O4 -","- C64 H68 As4 F24 O16 -","4","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020187","5.697","0.001","14.758","0.015","18.239","0.011","90","","98.58","0.05","90","","1516.3","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 O7 S -","- C12 H22 O7 S -","- C48 H88 O28 S4 -","4","2","","Alibés, Ramón; Blanco, Pilar; Casas, Eva; Closa, Montserrat; de March, Pedro; Figueredo, Marta; Font, Josep; Sanfeliu, Elena; Alvarez-Larena, Angel","Asymmetric Synthesis of the Azabicyclic Core of the Stemona Alkaloids","Journal of Organic Chemistry","2005","70","","3157","3167","10.1021/jo047867q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020188","22.1109","0.0004","6.9308","0.0001","22.1109","0.0004","90","","95.128","0.001","90","","3374.85","0.1","213","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","2","","Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu","","Journal of Organic Chemistry","2005","70","","3850","3858","10.1021/jo047870+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020189","8.5729","0.0004","9.3557","0.0004","13.7085","0.0006","107.284","0.001","99.774","0.001","102.644","0.001","991.32","0.08","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N O3 -","- C26 H17 N O3 -","- C52 H34 N2 O6 -","2","1","","Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu","","Journal of Organic Chemistry","2005","70","","3850","3858","10.1021/jo047870+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020190","17.615","0.004","9.153","0.0018","15.264","0.003","90","","92.83","0.03","90","","2458","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N2 O7 -","- C29 H22 N2 O7 -","- C116 H88 N8 O28 -","4","1","","Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu","","Journal of Organic Chemistry","2005","70","","3850","3858","10.1021/jo047870+","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020191","9.0982","0.0001","23.0174","0.0001","11.7352","0.0002","90","","96.273","0.001","90","","2442.83","0.05","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O6 -","- C28 H19 Br N2 O6 -","- C112 H76 Br4 N8 O24 -","4","1","","Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu","","Journal of Organic Chemistry","2005","70","","3850","3858","10.1021/jo047870+","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020192","11.253","0.0014","6.0225","0.0007","14.1891","0.0018","90","","95.661","0.003","90","","956.9","0.2","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O5 -","- C19 H29 N O5 -","- C38 H58 N2 O10 -","2","1","","Darren B. Hansen; Xiaobo Wan; Patrick J. Carroll; Madeleine M. Joullié","","Journal of Organic Chemistry","2005","70","","3120","3126","10.1021/jo047876z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020193","10.0857","0.0007","15.8359","0.0011","17.7444","0.0014","90","","90","","90","","2834.1","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O7 -","- C33 H37 N O7 -","- C132 H148 N4 O28 -","4","1","","Darren B. Hansen; Xiaobo Wan; Patrick J. Carroll; Madeleine M. Joullié","","Journal of Organic Chemistry","2005","70","","3120","3126","10.1021/jo047876z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020194","15.6234","0.0013","10.6788","0.0009","18.9084","0.0016","90","","97.854","0.002","90","","3125.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","thiacyclophanes","","","- C37 H30 O2 S2 -","- C37 H30 O2 S2 -","- C148 H120 O8 S8 -","4","2","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020195","11.692","0.001","5.268","0.003","15.011","0.004","90","","108.56","0.02","90","","876.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","thiacyclophanes","","","- C18 H20 S4 -","- C18 H20 S4 -","- C36 H40 S8 -","2","0.5","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020196","8.426","0.001","9.219","0.003","16.82","0.004","82.93","0.03","104.02","0.02","108.97","0.02","1197.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O4 S4 -","- C22 H28 O4 S4 -","- C44 H56 O8 S8 -","2","1","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","7,16,19,22-Tetramethoxy-1,3,10,12-Tetrathiatricyclo[14.2.2.2^19,20^] Docosa 5, 7,14,16,19,21-Hexane","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4020197","9.109","0.002","10.048","0.006","13.347","0.005","97.39","0.04","90.96","0.03","103.47","0.03","1176.8","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O4 S4 -","- C22 H28 O4 S4 -","- C44 H56 O8 S8 -","2","1","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","7,15,19,22-Tetramethoxy-1,3,10,12-Tetrathiatricyclo[14.2.2.2^19,20^] Docosa 5, 7,14,16,19,21-Hexane","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4020198","25.6814","0.0005","6.0774","0.0001","3.8911","0.0001","90","","90","","90","","607.31","0.02","120","1","120","1","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- C16 H8 S3 -","- C16 H8 S3 -","- C32 H16 S6 -","2","0.5","","Wex, Brigitte; Kaafarani B. R.; Kirschbaum, Kristin; Neckers, Douglas, C.","","Journal of Organic Chemistry","2005","70","","4502","4505","10.1021/jo048010w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020199","12.2959","0.0002","5.8414","0.0001","35.8324","0.0007","90","","90","0.03","90","","2573.67","0.08","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Br N2 O3 -","- C14 H11 Br N2 O3 -","- C112 H88 Br8 N16 O24 -","8","2","","N. R. Conley; R. J. Hung; C. G. Willson","","Journal of Organic Chemistry","2005","70","","4553","4555","10.1021/jo048031q","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020200","11.5904","0.0004","5.7419","0.0002","16.1679","0.0007","90","","106.644","0.0013","90","","1030.91","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br N2 O2 -","- C10 H7 Br N2 O2 -","- C40 H28 Br4 N8 O8 -","4","1","","N. R. Conley; R. J. Hung; C. G. Willson","","Journal of Organic Chemistry","2005","70","","4553","4555","10.1021/jo048031q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020201","5.9611","0.0002","7.5339","0.0002","11.4495","0.0004","76.697","0.002","77.861","0.002","85.168","0.002","488.87","0.03","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Br N2 O2 -","- C10 H7 Br N2 O2 -","- C20 H14 Br2 N4 O4 -","2","1","","N. R. Conley; R. J. Hung; C. G. Willson","","Journal of Organic Chemistry","2005","70","","4553","4555","10.1021/jo048031q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020202","32.547","0.005","32.547","0.005","12.972","0.003","90","","90","","120","","11900","5","293","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C23 H32 N4 O7 -","- C23 H32 N4 O7 -","- C414 H576 N72 O126 -","18","1","","Orazio A. Attanasi; Gianfranco Favi; Paolino Filippone; Amalija Golobi; Branko Stanovnik; Jurij Svete","","Journal of Organic Chemistry","2005","70","","4307","4313","10.1021/jo0480343","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020203","7.8536","0.0001","12.4334","0.0002","19.9054","0.0004","90","","96.84","0.001","90","","1929.87","0.06","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O7 -","- C18 H19 N3 O7 -","- C72 H76 N12 O28 -","4","1","","Orazio A. Attanasi; Gianfranco Favi; Paolino Filippone; Amalija Golobi; Branko Stanovnik; Jurij Svete","","Journal of Organic Chemistry","2005","70","","4307","4313","10.1021/jo0480343","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020204","10.8538","0.0002","11.2617","0.0002","18.0806","0.0003","84.9176","0.0008","86.9092","0.0007","73.4702","0.0007","2109.41","0.06","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C80 H92 N12 O28 -","4","2","","Orazio A. Attanasi; Gianfranco Favi; Paolino Filippone; Amalija Golobi; Branko Stanovnik; Jurij Svete","","Journal of Organic Chemistry","2005","70","","4307","4313","10.1021/jo0480343","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4020205","10.958","0.002","16.203","0.003","9.101","0.002","90","","91.3","0.03","90","","1615.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Wei-Dong Z. Li; Bao-Chun Ma","","Journal of Organic Chemistry","2005","70","","3277","3280","10.1021/jo048046o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020206","21.67","0.002","21.67","0.002","23.534","0.002","90","","90","","120","","9570.3","1.5","100","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H120 Cl20 N26 Na7 O72 -","- C60 H120 Cl20 N26 Na7 O72 -","- C180 H360 Cl60 N78 Na21 O216 -","3","0.166667","","Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Lucia Borsari; Claudia Giorgi; Barbara Valtancoli; Carmen Anda; Antoni Llobet","","Journal of Organic Chemistry","2005","70","","4257","4266","10.1021/jo048142p","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020207","18.885","0.0015","10.3754","0.0008","16.7388","0.0014","90","","123.789","0.001","90","","2725.8","0.4","187","2","187","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","dipq","","","- C40 H26 N2 -","- C40 H26 N2 -","- C160 H104 N8 -","4","0.5","","Gilbert E. Tumambac; Christian Wolf","","Journal of Organic Chemistry","2005","70","","2930","2938","10.1021/jo048399n","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020208","17.9579","0.0019","7.8494","0.0009","11.428","0.0015","90","","120.223","0.001","90","","1391.9","0.3","243","2","243","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H17 N O7 -","- C12 H17 N O7 -","- C48 H68 N4 O28 -","4","1","","Rena Bodner; Bridget K. Marcellino; Alexandra Severino; Abigail L. Smenton; Christian M. Rojas","","Journal of Organic Chemistry","2005","70","","3988","3996","10.1021/jo0500129","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020209","11.8288","0.0003","17.1521","0.0004","17.8083","0.0005","90","","90","","90","","3613.1","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 N4 O7 -","- C38 H48 N4 O7 -","- C152 H192 N16 O28 -","4","1","","Eric J. Stoner; Michael S. Allen; Alan C. Christesen; Rodger F. Henry; L. Steven Hollis; Robert Keyes; Ian Marsden; Tamara C. Rehm; Sandeep G. Shiroor; Niru B. Soni; Kent D. Stewart","","Journal of Organic Chemistry","2005","70","","3332","3335","10.1021/jo0500131","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020210","10.4915","0.0003","16.6596","0.0004","17.7783","0.0004","90","","90","","90","","3107.37","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 N2 O7 -","- C34 H42 N2 O7 -","- C136 H168 N8 O28 -","4","1","","Eric J. Stoner; Michael S. Allen; Alan C. Christesen; Rodger F. Henry; L. Steven Hollis; Robert Keyes; Ian Marsden; Tamara C. Rehm; Sandeep G. Shiroor; Niru B. Soni; Kent D. Stewart","","Journal of Organic Chemistry","2005","70","","3332","3335","10.1021/jo0500131","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020211","6.903","0.0003","10.877","0.0007","16.728","0.0009","83.182","0.003","79.392","0.004","77.474","0.004","1201.08","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 O5 Si -","- C23 H34 O5 Si -","- C46 H68 O10 Si2 -","2","1","","Jean-Pierre Uttaro; Gérard Audran; Honoré Monti","","Journal of Organic Chemistry","2005","70","","3484","3489","10.1021/jo050039s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020212","13.7526","0.0019","6.4876","0.0009","15.415","0.002","90","","91.779","0.003","90","","1374.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H37 F2 N O5 Si -","- C24 H37 F2 N O5 Si -","- C48 H74 F4 N2 O10 Si2 -","2","1","","Xiao-Long Qiu; Feng-Ling Qing","","Journal of Organic Chemistry","2005","70","","3826","3837","10.1021/jo050057+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020213","10.5215","0.001","14.6712","0.0014","24.061","0.002","90","","90","","90","","3714.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H53 F2 N3 O7 Si2 -","- C28 H52 F2 N3 O7 Si2 -","- C112 H208 F8 N12 O28 Si8 -","4","1","","Xiao-Long Qiu; Feng-Ling Qing","","Journal of Organic Chemistry","2005","70","","3826","3837","10.1021/jo050057+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020214","6.003","0.0012","9.981","0.002","26.437","0.005","90","","90","","90","","1584","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C60 H104 O16 -","4","1","","Alex M. Szpilman; Edward E. Korshin; Haim Rozenberg; Mario D. Bachi","","Journal of Organic Chemistry","2005","70","","3618","3632","10.1021/jo050074z","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020215","8.506","0.001","26.258","0.005","6.205","0.002","95.67","0.02","103.93","0.02","88.93","0.01","1338.6","0.5","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020216","6.3071","0.0003","12.1522","0.0009","32.017","0.002","90","","90","","90","","2454","0.2","93.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N O3 -","- C27 H29 Cl2 N O3 -","- C108 H116 Cl8 N4 O12 -","4","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020217","6.3028","0.0005","12.7985","0.0009","31.838","0.004","90","","90","","90","","2568.2","0.4","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N O3 -","- C27 H28 Cl2 N O3 -","- C108 H112 Cl8 N4 O12 -","4","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020218","6.275","0.004","12.617","0.008","31.923","0.019","90","","90","","90","","2527","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N O3 -","- C27 H29 Cl2 N O3 -","- C108 H116 Cl8 N4 O12 -","4","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020219","17.2663","","9.2015","","21.2939","","90","","99","","90","","3336.95","","150.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 Co Si2 -","- C35 H37 Co Si2 -","- C140 H148 Co4 Si8 -","4","1","","Shunji Ito; Mariko Ando; Akiko Nomura; Noboru Morita; Chizuko Kabuto; Hidetomo Mukai; Kazuchika Ohta; Jun Kawakami; Atsushi Yoshizawa; Akio Tajiri","","Journal of Organic Chemistry","2005","70","","3939","3949","10.1021/jo0500986","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020220","8.1622","0.0014","25.266","0.002","8.8758","0.0011","90","","115.558","0.012","90","","1651.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","","Fátima Churruca; Raul San Martín; Mónica Carril; Urtiaga, M.K.; Xavier Solans.; Imanol Tellitu; Esther Domínguez","","Journal of Organic Chemistry","2005","70","","3178","3187","10.1021/jo0501036","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020221","16.5","0.006","3.962","0.003","17.251","0.007","90","","113.076","0.013","90","","1037.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 F O3 -","- C12 H11 F O3 -","- C48 H44 F4 O12 -","4","1","","Gillian E. Morton; Anthony G. M. Barrett","","Journal of Organic Chemistry","2005","70","","3525","3529","10.1021/jo050112e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020222","3.9446","0.0003","15.7446","0.0011","18.1173","0.0014","90","","90","","90","","1125.2","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br F O3 -","- C12 H10 Br F O3 -","- C48 H40 Br4 F4 O12 -","4","1","","Gillian E. Morton; Anthony G. M. Barrett","","Journal of Organic Chemistry","2005","70","","3525","3529","10.1021/jo050112e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020223","18.0517","0.0011","6.2044","0.0004","10.8293","0.0007","90","","91.692","0.003","90","","1212.35","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N O -","- C12 H21 N O -","- C48 H84 N4 O4 -","4","1","","Fleming, Fraser F.; Gudipati, Subrahmanyam; Zhang, Zhiyu; Liu, Wang; Steward, Omar W.","Cyclic Nitriles: Diastereoselective Alkylations","Journal of Organic Chemistry","2005","70","10","3845","3849","10.1021/jo0501184","","","","","","","","","","","","","","","","","","","","","has coordinates","209047","2020-10-21","18:00:00",""
"4020224","8.266","0.003","11.948","0.004","27.816","0.01","90","","90","","90","","2747.3","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H20 N O S3 -","- C14.5 H14.5 N0.5 O S1.5 -","- C116 H116 N4 O8 S12 -","8","2","","Yolanda Arroyo; Ángela Meana; J. Félix Rodríguez; Mercedes Santos; M. Ascensión Sanz-Tejedor; José. L. García Ruano","","Journal of Organic Chemistry","2005","70","","3914","3920","10.1021/jo050129x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020225","6.3998","0.0001","22.1292","0.0002","8.4297","0.0001","90","","111.597","0.001","90","","1110.02","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C48 H48 O12 S4 -","4","1","","J. L. García Ruano; Cristina Fajardo; Alberto Fraile; M. Rosario Martín","","Journal of Organic Chemistry","2005","70","","4300","4306","10.1021/jo050131o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020226","15.8574","0.0001","7.1566","0.0001","22.6412","0.0002","90","","107.188","0.001","90","","2454.69","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 O3 S -","- C13 H14 O3 S -","- C104 H112 O24 S8 -","8","2","","J. L. García Ruano; Cristina Fajardo; Alberto Fraile; M. Rosario Martín","","Journal of Organic Chemistry","2005","70","","4300","4306","10.1021/jo050131o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020227","8.0985","0.0012","10.4719","0.0016","12.3827","0.0019","90","","90.47","0.003","90","","1050.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Br I O3 -","- C8 H8 Br I O3 -","- C32 H32 Br4 I4 O12 -","4","1","","Carlos Silva López; Rosana Álvarez; Belén Vaz; Olalla Nieto Faza; Ángel R. de Lera","","Journal of Organic Chemistry","2005","70","","3654","3659","10.1021/jo0501339","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020228","21.199","0.005","10.42","0.0017","38.634","0.006","90","","95.578","0.006","90","","8494","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 O -","- C27 H26 O -","- C432 H416 O16 -","16","2","","Shaolin Zhou; Bin Yan; Yuanhong Liu","","Journal of Organic Chemistry","2005","70","","4006","4012","10.1021/jo050152i","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020229","10.417","0.002","11.773","0.003","14.433","0.004","77.35","0.02","81.38","0.02","69.06","0.01","1608","0.7","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 N2 O4.5 -","- C34 H42 N2 O4.5 -","- C68 H84 N4 O9 -","2","1","","Jacques Eustache; Pierre Van de Weghe; Didier Le Nouen; Hiroshi Uyehara; Chizuko Kabuto; Yoshinori Yamamoto","","Journal of Organic Chemistry","2005","70","","4043","4053","10.1021/jo0501543","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020230","12.992","0.003","10.203","0.003","18.76","0.005","90","","100.518","0.0011","90","","2445","1.1","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H42 N2 O4 -","- C24 H42 N2 O4 -","- C96 H168 N8 O16 -","4","2","","Jacques Eustache; Pierre Van de Weghe; Didier Le Nouen; Hiroshi Uyehara; Chizuko Kabuto; Yoshinori Yamamoto","","Journal of Organic Chemistry","2005","70","","4043","4053","10.1021/jo0501543","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020231","13.914","0.003","6.448","0.002","6.075","0.002","100.19","0.02","97.74","0.02","87.12","0.02","531.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","","Alessia Bacchi; Mirco Costa; Nicola Della Cà; Bartolo Gabriele; Giuseppe Salerno; Silvia Cassoni","","Journal of Organic Chemistry","2005","70","","4971","4979","10.1021/jo050155v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020232","15.528","0.003","18.993","0.004","10.971","0.002","74.7","0.02","86.06","0.02","82.38","0.02","3091.4","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C128 H136 N8 O32 -","8","4","","Alessia Bacchi; Mirco Costa; Nicola Della Cà; Bartolo Gabriele; Giuseppe Salerno; Silvia Cassoni","","Journal of Organic Chemistry","2005","70","","4971","4979","10.1021/jo050155v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020233","6.4741","0.0007","8.8315","0.001","12.1985","0.0014","75.98","0.002","86.42","0.002","76.949","0.002","659.18","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","t-butylacetyl chloride * ZrCl4","","","- C12 H22 Cl10 O2 Zr2 -","- C12 H22 Cl10 O2 Zr2 -","- C12 H22 Cl10 O2 Zr2 -","1","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020234","8.8905","0.0007","7.0693","0.0006","9.3375","0.0007","90","","98.594","0.002","90","","580.27","0.08","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","fluorobenzoyl chloride * GaCl3","","","- C7 H4 Cl4 F Ga O -","- C7 H4 Cl4 F Ga O -","- C14 H8 Cl8 F2 Ga2 O2 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020235","8.917","0.002","12.313","0.002","16.573","0.003","90","","98.349","0.004","90","","1800.4","0.6","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chloroheptamethylbenzenium GaCl4","","","- C13 H20 Cl5 Ga -","- C13 H20 Cl5 Ga -","- C52 H80 Cl20 Ga4 -","4","1","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020236","8.8001","0.0008","11.934","0.0011","11.531","0.0011","90","","102.361","0.002","90","","1182.9","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","acetophenone * TiCl4","","","- C16 H16 Cl8 O2 Ti2 -","- C16 H16 Cl8 O2 Ti2 -","- C32 H32 Cl16 O4 Ti4 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020237","8.5649","0.0015","12.261","0.002","11.769","0.002","90","","102.185","0.005","90","","1208","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","hydrindone * TiCl4","","","- C18 H16 Cl8 O2 Ti2 -","- C18 H16 Cl8 O2 Ti2 -","- C36 H32 Cl16 O4 Ti4 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020238","9.389","0.005","9.676","0.003","10.123","0.004","66.44","0.03","74.06","0.03","86.43","0.02","809.4","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","hydrindone * ZrCl4","","","- C20 H20 Cl12 O2 Zr2 -","- C20 H20 Cl12 O2 Zr2 -","- C20 H20 Cl12 O2 Zr2 -","1","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020239","8.9723","0.0005","7.1793","0.0004","10.5981","0.0006","90","","103.835","0.001","90","","662.87","0.06","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","benzoyl chloride*SbCl5","","","- C7 H5 Cl6 O Sb -","- C7 H5 Cl6 O Sb -","- C14 H10 Cl12 O2 Sb2 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020240","8.1706","0.0008","8.8513","0.0009","9.5658","0.001","64.311","0.002","77.905","0.002","72.173","0.002","591.11","0.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","benzoyl chloride * TiCl4","","","- C14 H10 Cl10 O2 Ti2 -","- C14 H10 Cl10 O2 Ti2 -","- C14 H10 Cl10 O2 Ti2 -","1","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020241","7.4816","0.0006","18.3327","0.0014","9.5736","0.0008","90","","107.525","0.002","90","","1252.15","0.17","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-toluoyl chloride * TiCl4","","","- C16 H14 Cl10 O2 Ti2 -","- C16 H14 Cl10 O2 Ti2 -","- C32 H28 Cl20 O4 Ti4 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020242","7.0758","0.0004","18.5263","0.0011","9.3579","0.0005","90","","105.328","0.001","90","","1183.08","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","fluorobenzoyl chloride * TiCl4","","","- C14 H8 Cl10 F2 O2 Ti2 -","- C14 H8 Cl10 F2 O2 Ti2 -","- C28 H16 Cl20 F4 O4 Ti4 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020243","10.73","0.002","19.233","0.004","8.9878","0.0018","90","","94.2","0.03","90","","1849.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl3 N3 O3 -","- C15 H14 Cl3 N3 O3 -","- C60 H56 Cl12 N12 O12 -","4","1","","Weifeng Shi; Fengping Xiao; Jianbo Wang","","Journal of Organic Chemistry","2005","70","","4318","4322","10.1021/jo050173c","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020244","8.2829","0.0017","12.724","0.003","13.209","0.003","67","0.03","78.3","0.03","86.13","0.03","1254.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 Cl4 O6 -","- C24 H22 Cl4 O6 -","- C48 H44 Cl8 O12 -","2","1","","Ying Cheng; Qing Zhu; Quan Song Li; Otto Meth-Cohn","","Journal of Organic Chemistry","2005","70","","4840","4846","10.1021/jo0501792","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020245","17.79","0.004","7.9794","0.0016","22.872","0.005","90","","90","","90","","3246.8","1.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H28 Br2 Cl2 O10 -","- C30 H28 Br2 Cl2 O10 -","- C120 H112 Br8 Cl8 O40 -","4","1","","Ying Cheng; Qing Zhu; Quan Song Li; Otto Meth-Cohn","","Journal of Organic Chemistry","2005","70","","4840","4846","10.1021/jo0501792","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020246","7.8493","0.0009","8.5693","0.0009","16.0885","0.0018","76.683","0.008","81.06","0.009","71.79","0.008","996.24","0.19","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 S6 -","- C18 H16 N2 S6 -","- C36 H32 N4 S12 -","2","1","","Claudia Loosli; Chunyang Jia; Shi-Xia Liu; Marco Haas; Maryléne Dias; Eric Levillain; Antonia Neels; Gael Labat; Andreas Hauser; Silvio Decurtins","","Journal of Organic Chemistry","2005","70","","4988","4992","10.1021/jo0501801","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020247","14.4612","0.0016","11.6741","0.0013","10.6275","0.0011","90","","90","","90","","1794.2","0.3","218","2","218","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 F12 N2 P2 -","- C12 H14 F12 N2 P2 -","- C48 H56 F48 N8 P8 -","4","0.5","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020248","17.688","0.003","11.184","0.002","18.034","0.005","90","","96.03","0.014","90","","3547.9","1.8","241","2","241","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H45 N O14 -","- C37 H45 N O14 -","- C148 H180 N4 O56 -","4","0.5","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020249","13.9159","0.0017","21.217","0.002","21.768","0.002","90","","95.423","0.009","90","","6398.3","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H77 F12 N3 O17 P2 -","- C58 H77 F12 N3 O17 P2 -","- C232 H308 F48 N12 O68 P8 -","4","1","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020250","10.3991","0.0006","13.6159","0.0008","19.3423","0.0012","87.759","0.001","82.524","0.001","72.675","0.001","2592.3","0.3","218","2","218","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H63 F6 N4 O13.5 P -","- C45 H52 F6 N4 O13 P -","- C90 H104 F12 N8 O26 P2 -","2","1","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020251","11.871","0.003","23.066","0.005","20.45","0.006","90","","90.307","0.008","90","","5599.5","2.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 F12 N2 O14 P2 -","- C52 H67 F12 N2 O14 P2 -","- C208 H268 F48 N8 O56 P8 -","4","1","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020252","10.7938","0.0013","20.226","0.0019","21.431","0.002","63.096","0.009","83.239","0.01","84.292","0.009","4137.6","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C81 H115.86 O29.93 -","- C81 H101 O29.931 -","- C162 H202 O59.862 -","2","1","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020253","11.2195","0.0011","7.181","0.0007","12.868","0.0013","90","","92.559","0.005","90","","1035.71","0.18","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O2 S2 -","- C21 H26 N2 O2 S2 -","- C42 H52 N4 O4 S4 -","2","1","","Efraín Barragán; Horacio F. Olivo; Moisés Romero-Ortega; Seth Sarduy","","Journal of Organic Chemistry","2005","70","","4214","4217","10.1021/jo050188a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020254","7.7798","0.0008","9.7832","0.001","11.1085","0.0011","75.16","0.005","79.807","0.005","67.272","0.005","750.93","0.13","190","2","190","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H40 N2 O3 S2 Si -","- C23.4404 H29.5082 N2 O3 S2 Si0.33 -","- C23.4404 H29.5082 N2 O3 S2 Si0.33 -","1","1","","Efraín Barragán; Horacio F. Olivo; Moisés Romero-Ortega; Seth Sarduy","","Journal of Organic Chemistry","2005","70","","4214","4217","10.1021/jo050188a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020255","13.963","0.003","22.947","0.004","31.616","0.005","70.01","0.02","87.85","0.02","83.46","0.02","9458","3","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H76 P2 Si2 -","- C44.05 H64.75 P2 Si2 -","- C352.4 H518 P16 Si16 -","8","4","","Shigekazu Ito; Hiromichi Jin; Shigeo Kimura; Masaaki Yoshifuji","","Journal of Organic Chemistry","2005","70","","3537","3541","10.1021/jo050195z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020256","15.2131","0.0008","16.864","0.002","10.598","0.001","95.069","0.001","107.446","0.004","81.572","0.004","2563.1","0.4","143","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H88 P2 Si2 -","- C50 H88 P2 Si2 -","- C100 H176 P4 Si4 -","2","1","","Shigekazu Ito; Hiromichi Jin; Shigeo Kimura; Masaaki Yoshifuji","","Journal of Organic Chemistry","2005","70","","3537","3541","10.1021/jo050195z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020257","10.65","0.001","16.92","0.002","27.253","0.001","90","","100.309","0.003","90","","4831.7","0.7","130","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H82 P2 Si2 -","- C46 H82 P2 Si2 -","- C184 H328 P8 Si8 -","4","1","","Shigekazu Ito; Hiromichi Jin; Shigeo Kimura; Masaaki Yoshifuji","","Journal of Organic Chemistry","2005","70","","3537","3541","10.1021/jo050195z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020258","10.5921","0.0005","14.9698","0.0006","29.559","0.001","90","","94.8471","0.0006","90","","4670.1","0.4","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H78 P2 Si2 -","- C44 H78 P2 Si2 -","- C176 H312 P8 Si8 -","4","1","","Shigekazu Ito; Hiromichi Jin; Shigeo Kimura; Masaaki Yoshifuji","","Journal of Organic Chemistry","2005","70","","3537","3541","10.1021/jo050195z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020259","11.7529","0.0007","11.7529","0.0007","15.9649","0.0019","90","","90","","90","","2205.2","0.3","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C18 H19 Br N4 O8 -","- C18 H19 Br N4 O8 -","- C72 H76 Br4 N16 O32 -","4","1","","Manuela Tosin; Colin O'Brien; Geraldine M. Fitzpatrick; Helge Müller-Bunz; W. Kenneth Glass; Paul V. Murphy","","Journal of Organic Chemistry","2005","70","","4096","4106","10.1021/jo0501994","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020260","8.1212","0.0007","14.9889","0.0012","15.8159","0.0013","90","","90","","90","","1925.2","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C72 H80 N16 O32 -","4","1","","Manuela Tosin; Colin O'Brien; Geraldine M. Fitzpatrick; Helge Müller-Bunz; W. Kenneth Glass; Paul V. Murphy","","Journal of Organic Chemistry","2005","70","","4096","4106","10.1021/jo0501994","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020261","11.977","0.002","15.047","0.003","21.319","0.004","90","","90","","90","","3842.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N8 O16 -","- C32 H38 N8 O16 -","- C128 H152 N32 O64 -","4","1","","Manuela Tosin; Paul V. Murphy","","Journal of Organic Chemistry","2005","70","","4107","4117","10.1021/jo050200z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020262","17.509","0.018","17.694","0.017","23.43","0.02","105.17","0.07","93.96","0.09","103.58","0.09","6745","11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C153 H189 Cl3 N16 Zn4 -","- C153 H189 Cl3 N16 Zn4 -","- C306 H378 Cl6 N32 Zn8 -","2","1","","Satoru Hiroto; Atsuhiro Osuka","","Journal of Organic Chemistry","2005","70","","4054","4058","10.1021/jo0502192","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020263","8.672","0.0013","9.721","0.001","11.155","0.0017","103.884","0.008","101.898","0.007","107.401","0.007","831","0.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H26 -","- C22 H26 -","- C44 H52 -","2","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","Zirconocene-Mediated and/or Catalyzed Unprecedented Coupling Reactions of Alkoxymethyl-Substituted Styrene Derivatives","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
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"4020266","13.431","0.001","7.55","0.0003","14.385","0.0011","90","","116.144","0.003","90","","1309.46","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F2 -","- C18 H16 F2 -","- C72 H64 F8 -","4","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020267","13.545","0.0005","7.808","0.0003","20.667","0.0007","90","","116.287","0.002","90","","1959.69","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 F2 O -","- C23 H28 F2 O -","- C92 H112 F8 O4 -","4","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020268","8.478","0.0008","9.898","0.001","17.187","0.0008","90","","91.297","0.005","90","","1441.9","0.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 -","- C19 H22 -","- C76 H88 -","4","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020269","13.156","0.0008","11.6708","0.0007","16.293","0.0009","90","","102.174","0.001","90","","2445.4","0.2","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","corannulene","","","- C20 H10 -","- C20 H10 -","- C160 H80 -","8","2","","Marina A. Petrukhina; Kristian W. Andreini; James Mack; Lawrence T. Scott","","Journal of Organic Chemistry","2005","70","","5713","5716","10.1021/jo050233e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020270","13.1278","0.0007","11.6129","0.0006","16.2338","0.0009","90","","102.068","0.001","90","","2420.2","0.2","90","2","90","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","corannulene","","","- C20 H10 -","- C20 H10 -","- C160 H80 -","8","2","","Marina A. Petrukhina; Kristian W. Andreini; James Mack; Lawrence T. Scott","","Journal of Organic Chemistry","2005","70","","5713","5716","10.1021/jo050233e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020271","10.6129","0.0008","12.1178","0.0009","22.3579","0.0017","101.088","0.002","90.658","0.002","104.314","0.002","2728.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N2 O3 -","- C33 H30 N2 O3 -","- C132 H120 N8 O12 -","4","2","","Sukhdev Manku; Dennis P. Curran","Fluorous Mixture Synthesis of Fused-Tricyclic Hydantoins. Use of a Redundant Tagging Strategy on Fluorinated Substrates","Journal of Organic Chemistry","2005","70","","4470","4473","10.1021/jo0502596","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020272","8.1512","0.0007","11.4529","0.001","12.7178","0.0011","88.247","0.002","78.609","0.002","76.132","0.002","1129.78","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N2 O3 -","- C27 H26 N2 O3 -","- C54 H52 N4 O6 -","2","1","","Sukhdev Manku; Dennis P. Curran","","Journal of Organic Chemistry","2005","70","","4470","4473","10.1021/jo0502596","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020273","6.1","0.007","7.694","0.009","21.66","0.02","90","","94.72","0.02","90","","1013.3","1.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H29 N O5 -","- C21 H29 N O5 -","- C42 H58 N2 O10 -","2","1","","James A. Aikins; Michael Haurez; John R. Rizzo; Jean-Pierre Van Hoeck; Willy Brione; Jean-Paul Kestemont; Christophe Stevens; Xavier Lemair; Gregory A. Stephenson; Eric Marlot; Mindy Forst; Ioannis N. Houpis","","Journal of Organic Chemistry","2005","70","","4695","4705","10.1021/jo050268e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020274","31.656","0.008","6.3516","0.0014","18.371","0.005","90","","124.109","0.004","90","","3058.3","1.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H42 N2 O5 -","- C32 H42 N2 O5 -","- C128 H168 N8 O20 -","4","1","","James A. Aikins; Michael Haurez; John R. Rizzo; Jean-Pierre Van Hoeck; Willy Brione; Jean-Paul Kestemont; Christophe Stevens; Xavier Lemair; Gregory A. Stephenson; Eric Marlot; Mindy Forst; Ioannis N. Houpis","","Journal of Organic Chemistry","2005","70","","4695","4705","10.1021/jo050268e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020275","17.48","0.02","9.14","0.02","26.13","0.01","90","","107.25","0.06","89","","3987","5","173.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 Se7 -","- C28 H28 Se14 -","- C224 H224 Se112 -","8","2","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020276","10.258","0.006","8.901","0.005","12.501","0.005","90","","97.71","0.04","90","","1131","1","173.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 Se8 -","- C16 H16 Se8 -","- C32 H32 Se16 -","2","0.5","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020277","12.61","0.008","8.781","0.003","13.849","0.006","90","","89.86","0.02","90","","1533","1","173.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag F3 O2 Se4 -","- C10 H8 Ag F3 O2 Se4 -","- C40 H32 Ag4 F12 O8 Se16 -","4","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020278","18.561","0.008","10.596","0.005","9.523","0.003","90","","90.92","0.03","90","","1872","1","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 Ag F3 O2 Se5 -","- C12 H10 Ag F3 O2 Se5 -","- C48 H40 Ag4 F12 O8 Se20 -","4","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020279","9.988","0.005","10.253","0.006","9.82","0.006","117.67","0.05","115.71","0.04","64.52","0.04","768.7","0.9","173.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Ag F3 O2 Se4 -","- C10 H8 Ag F3 O2 Se4 -","- C20 H16 Ag2 F6 O4 Se8 -","2","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020280","10.725","0.001","11.207","0.002","12.938","0.002","90","","93.565","0.007","90","","1552.1","0.4","103.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ag N O3 Se5 -","- C10 H10 Ag N O3 Se5 -","- C40 H40 Ag4 N4 O12 Se20 -","4","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020281","9.169","0.003","9.702","0.003","10.523","0.004","92.443","0.005","93.616","0.005","112.089","0.005","863.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O8 -","- C17 H17 N O8 -","- C34 H34 N2 O16 -","2","1","","Hulluri, Surya Prakash Rao; Shanmugam, Sivakumar","","Journal of Organic Chemistry","2005","70","","4524","4527","10.1021/jo050308e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020282","20.153","0.003","20.153","0.003","14.202","0.002","90","","90","","90","","5767.8","1.4","93","2","93","2","","","","","","","","6","I 41","I 4bw","80","","","","- C23 H22 Br4 Cl3 N4 O4.5 -","- C23 H22 Br4 Cl3 N4 O4.5 -","- C184 H176 Br32 Cl24 N32 O36 -","8","1","","Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood","","Journal of Organic Chemistry","2005","70","","5055","5061","10.1021/jo0503106","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020283","23.882","0.005","6.7351","0.0016","13.747","0.004","90","","110.39","0.005","90","","2072.5","0.9","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 N2 -","- C10 H8 Br2 N2 -","- C80 H64 Br16 N16 -","8","1","","Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood","","Journal of Organic Chemistry","2005","70","","5055","5061","10.1021/jo0503106","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020284","7.2876","0.0014","7.3084","0.0008","10.801","0.003","81.55","0.019","88.035","0.018","66.12","0.013","520.11","0.17","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Br2 N2 O -","- C10 H8 Br2 N2 O -","- C20 H16 Br4 N4 O2 -","2","1","","Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood","","Journal of Organic Chemistry","2005","70","","5055","5061","10.1021/jo0503106","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020285","7.8553","0.0001","12.6178","0.0002","21.7682","0.0003","90","","90","","90","","2157.59","0.05","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C88 H116 N4 O28 -","4","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020286","7.183","0.003","12.295","0.004","25.615","0.012","90","","90","","90","","2262.2","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C92 H124 N4 O28 -","4","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020287","7.0009","0.0001","10.7663","0.0001","10.5139","0.0001","90","","98.276","0.001","90","","784.22","0.015","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N O4 Si -","- C14 H21 N O4 Si -","- C28 H42 N2 O8 Si2 -","2","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020288","6.6205","0.0017","10.695","0.005","16.226","0.007","90","","90","","90","","1148.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020289","8.7304","0.0006","6.0986","0.0005","17.0394","0.0013","90","","99.65","0.003","90","","894.4","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H19 Cl F3 N O4 -","- C16 H19 Cl F3 N O4 -","- C32 H38 Cl2 F6 N2 O8 -","2","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020290","7.1847","0.0013","19.703","0.004","11.927","0.002","90","","98.777","0.004","90","","1668.6","0.5","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020291","8.325","0.003","11.534","0.004","17.382","0.007","90","","98.075","0.007","90","","1652.5","1.1","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020292","10.549","0.004","10.483","0.004","14.482","0.005","90","","104.623","0.007","90","","1549.7","1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020293","8.3057","0.0019","10.161","0.002","11.493","0.003","90","","98.305","0.004","90","","959.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","0.5","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020294","17.2719","0.0009","7.3616","0.0004","17.7619","0.0009","90","","115.421","0.001","90","","2039.74","0.19","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 Cl2 N2 O2 -","- C22 H22 Cl2 N2 O2 -","- C88 H88 Cl8 N8 O8 -","4","0.5","","William W. Porter, III; Thomas P. Vaid","","Journal of Organic Chemistry","2005","70","","5028","5035","10.1021/jo050328g","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020295","11.1724","0.0006","17.6479","0.0009","20.256","0.001","73.118","0.001","76.353","0.001","76.596","0.001","3656.1","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 F6 N3 P -","- C27 H23 F6.02 N3 P1.00333 -","- C162 H138 F36.12 N18 P6.02 -","6","3","","William W. Porter, III; Thomas P. Vaid","","Journal of Organic Chemistry","2005","70","","5028","5035","10.1021/jo050328g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020296","8.2006","0.0016","5.99","0.0012","20.888","0.004","90","","100.704","0.003","90","","1008.2","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","04218","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C50 H48 N4 O4 -","2","1","","Craig R. Berry; Richard P. Hsung; Jennifer E. Antoline; Matthew E. Petersen; Rameshkumar Challeppan; Jessica A. Nielson","","Journal of Organic Chemistry","2005","70","","4038","4042","10.1021/jo0503411","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020297","9.566","0.002","10.902","0.003","14.003","0.004","90","","90","","90","","1460.3","0.7","103.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 S -","- C15 H22 O2 S -","- C60 H88 O8 S4 -","4","1","","Yusuke Nakashima; Toshio Shimizu; Kazunori Hirabayashi; Fujiko Iwasaki; Mikio Yamasaki; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5020","5027","10.1021/jo050343l","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020298","6.277","0.005","10.693","0.009","14.43","0.02","89.34","0.04","79.55","0.06","89.99","0.04","952.6","0.2","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 Br O4 -","- C22 H23 Br O4 -","- C44 H46 Br2 O8 -","2","1","","Hideaki Watanabe; Mitsuhiro Iwamoto; Masahisa Nakada","","Journal of Organic Chemistry","2005","70","","4652","4658","10.1021/jo050349a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020299","6.112","0.003","10.011","0.004","30.05","0.01","90","","90","","90","","1838","1","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O4 -","- C21 H21 Br O4 -","- C84 H84 Br4 O16 -","4","1","","Hideaki Watanabe; Mitsuhiro Iwamoto; Masahisa Nakada","","Journal of Organic Chemistry","2005","70","","4652","4658","10.1021/jo050349a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020300","7.7142","0.0002","12.489","0.0003","16.4407","0.0004","90","","90","","90","","1583.94","0.07","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020301","8.5126","0.0002","13.0434","0.0003","10.3263","0.0003","90","","111.545","0.001","90","","1066.45","0.05","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 Cl3 N2 O3 -","- C21 H23 Cl3 N2 O3 -","- C42 H46 Cl6 N4 O6 -","2","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020302","7.2678","0.0002","9.5184","0.0003","9.629","0.0003","103.344","0.002","93.196","0.002","94.762","0.002","643.96","0.03","233","2","233","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H35 N3 O4 -","- C30 H35 N3 O4 -","- C30 H35 N3 O4 -","1","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020303","10.0199","0.0003","14.4855","0.0005","15.229","0.0006","90","","90","","90","","2210.39","0.13","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C104 H112 N8 O12 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020304","8.4712","0.0004","9.1064","0.0004","21.7919","0.0007","90","","90","","90","","1681.07","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020305","9.4969","0.0003","14.4534","0.0004","21.8742","0.0007","90","","90","","90","","3002.51","0.16","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H43 N3 O3 -","- C34 H43 N3 O3 -","- C136 H172 N12 O12 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020306","8.849","0.0002","7.7644","0.0003","18.7321","0.0007","90","","103.497","0.002","90","","1251.48","0.07","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H32 N2 O6 S -","- C28 H32 N2 O6 S -","- C56 H64 N4 O12 S2 -","2","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020307","23.3036","0.0009","23.3036","0.0009","8.5915","0.0006","90","","90","","90","","4665.7","0.4","273","2","273","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C12 H18 O -","- C12 H18 O -","- C192 H288 O16 -","16","1","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti","Stereolabile and Configurationally Stable Atropisomers of Hindered Aryl Carbinols.","Journal of Organic Chemistry","2005","70","","5098","5102","10.1021/jo050382x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020308","8.5188","0.0007","8.1021","0.0008","17.7649","0.0013","90","","98.111","0.007","90","","1213.87","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H38 N0 O5 Si -","- C20 H38 O5 Si -","- C40 H76 O10 Si2 -","2","1","","Paul R. Blakemore; Cindy C. Browder; Jian Hong; Christopher M. Lincoln; Pavel A. Nagornyy; Lonnie A. Robarge; Duncan J. Wardrop; James D. White","","Journal of Organic Chemistry","2005","70","","5449","5460","10.1021/jo0503862","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020309","22.109","0.001","8.375","0.001","19.32","0.001","90","","103.04","0.01","90","","3485.1","0.5","290","2","290","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C31 H56 O6 Si -","- C31 H56 O6 Si -","- C124 H224 O24 Si4 -","4","1","","Paul R. Blakemore; Cindy C. Browder; Jian Hong; Christopher M. Lincoln; Pavel A. Nagornyy; Lonnie A. Robarge; Duncan J. Wardrop; James D. White","","Journal of Organic Chemistry","2005","70","","5449","5460","10.1021/jo0503862","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020310","14.764","0.002","17.671","0.003","11.94","0.002","90","","103.858","0.006","90","","3024.4","0.8","90","2","90","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C27.3895 H44.779 B Cl0.407 F4 O0.2965 P2 Rh S -","- C27.3895 H44.78 B Cl0.407 F4 O0.2965 P2 Rh S -","- C109.558 H179.12 B4 Cl1.628 F16 O1.186 P8 Rh4 S4 -","4","1","","Tiziana Benincori; Tullio Pilati; Simona Rizzo; Franco Sannicoló; Mark J. Burk; Lorenzo de Ferra; Elio Ullucci; Oreste Piccolo","The 2,5-Dimethyl-3,4-bis[(2R,5R)-2,5-dimethylpospholano]thiophene (UluPHOS):the First Member of the Hetero-DuPHOS Family.","Journal of Organic Chemistry","2005","70","","5436","5441","10.1021/jo050390d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020311","12.369","0.004","10.857","0.004","13.911","0.005","90","","113.917","0.005","90","","1707.7","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 Cl Cu N2 -","- C15 H24 Cl Cu N2 -","- C60 H96 Cl4 Cu4 N8 -","4","2","","Silvia Díez-González; Harneet Kaur; Fabiano Kauer Zinn; Edwin D. Stevens; Steven P. Nolan","","Journal of Organic Chemistry","2005","70","","4784","4796","10.1021/jo050397v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020312","23.5521","0.0017","12.9864","0.0009","25.1635","0.0018","90","","116.269","0.001","90","","6901.6","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H124 Cl4 Cu4 O2 P4 -","- C56 H124 Cl4 Cu4 O2 P4 -","- C224 H496 Cl16 Cu16 O8 P16 -","4","0.5","","Silvia Díez-González; Harneet Kaur; Fabiano Kauer Zinn; Edwin D. Stevens; Steven P. Nolan","","Journal of Organic Chemistry","2005","70","","4784","4796","10.1021/jo050397v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020313","8.784","0.0007","15.4247","0.0012","30.289","0.002","90","","90","","90","","4103.9","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl Cu N2 -","- C21 H26 Cl Cu N2 -","- C168 H208 Cl8 Cu8 N16 -","8","1","","Silvia Díez-González; Harneet Kaur; Fabiano Kauer Zinn; Edwin D. Stevens; Steven P. Nolan","","Journal of Organic Chemistry","2005","70","","4784","4796","10.1021/jo050397v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020314","10.7023","0.0004","5.7153","0.0002","17.0466","0.0006","90","","102.982","0.001","90","","1016.04","0.06","125","2","125","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H22 N2 O6 -","- C24 H22 N2 O6 -","- C48 H44 N4 O12 -","2","1","","Sergiu Coseri; G. David Mendenhall; K. U. Ingold","","Journal of Organic Chemistry","2005","70","","4629","4636","10.1021/jo0504060","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020315","12.6673","0.0013","8.121","0.0008","14.0349","0.0014","90","","106.422","0.002","90","","1384.9","0.2","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Sergiu Coseri; G. David Mendenhall; K. U. Ingold","","Journal of Organic Chemistry","2005","70","","4629","4636","10.1021/jo0504060","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020316","5.513","0.006","12.528","0.014","26.192","0.023","90","","90","","90","","1809","3.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Paol02","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","","Xiaochuan Chen; Jinchun Chen; Michael De Paolis; Jieping Zhu","","Journal of Organic Chemistry","2005","70","","4397","4408","10.1021/jo050408k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020317","15.8881","0.0013","9.5511","0.0008","19.7281","0.0015","90","","90.371","0.002","90","","2993.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Br Cl N O9 -","- C28 H31 Br Cl N O9 -","- C112 H124 Br4 Cl4 N4 O36 -","4","1","","Wan-Guo Wei; Zhu-Jun Yao","","Journal of Organic Chemistry","2005","70","","4585","4590","10.1021/jo050414g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020318","9.2669","0.0019","11.841","0.002","18.233","0.004","90","","97.79","0.03","90","","1982.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 Cl2 N O -","- C19 H25 Cl2 N O -","- C76 H100 Cl8 N4 O4 -","4","1","","Congyang Wang; Jiang Lu; Guoliang Mao; Zhenfeng Xi","","Journal of Organic Chemistry","2005","70","","5150","5156","10.1021/jo050433q","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020319","6.4851","0.0006","9.8871","0.0009","10.5663","0.001","100.153","0.001","97.752","0.001","106.194","0.001","628.17","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H39 Br O5 -","- C25 H39 Br O5 -","- C25 H39 Br O5 -","1","1","","Gisele A. Nishiguchi; Daniel Little","","Journal of Organic Chemistry","2005","70","","5249","5256","10.1021/jo050465d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020320","45.53","0.04","33.5","0.04","54.22","0.05","90","","109.04","0.06","90","","78188","124","283","2","283","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C172 H310 B108 Co6 F12 N12 O18 P12 Pt6 S4 -","- C172 B108 Co6 F12 N12 O18 P12 Pt6 S4 -","- C1376 B864 Co48 F96 N96 O144 P96 Pt48 S32 -","8","1","","Manuela Schweiger; Takuya Yamamoto; Peter J. Stang; Dieter Bläser; Roland Boese","","Journal of Organic Chemistry","2005","70","","4861","4864","10.1021/jo050469i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020321","27.979","0.004","43.908","0.006","31.316","0.005","90","","101.585","0.003","90","","37688","9","278","2","278","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C162 H288 B72 Co4 F6 N12 O13 P12 Pt6 S2 -","- C161.5 B72 Co4 F4.5 N12 O11.5 P12 Pt6 S1.5 -","- C646 B288 Co16 F18 N48 O46 P48 Pt24 S6 -","4","1","","Manuela Schweiger; Takuya Yamamoto; Peter J. Stang; Dieter Bläser; Roland Boese","","Journal of Organic Chemistry","2005","70","","4861","4864","10.1021/jo050469i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020322","11.9211","0.0006","8.406","0.0004","9.7895","0.0005","90","","124.064","0.002","90","","812.67","0.07","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 O4 -","- C10 H8 O4 -","- C40 H32 O16 -","4","0.5","","María Victoria Roux; Juan Z. Dávalos; Pilar Jiménez; Rafael Notario; Obis Castaño; James S. Chickos; William Hanshaw; Hui Zhao; Nigam Rath; Joel F. Liebman; Behzad S. Farivar; A. Bashir-Hashemi","","Journal of Organic Chemistry","2005","70","","5461","5470","10.1021/jo050471+","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020323","17.1273","0.0013","9.0809","0.0007","6.937","0.0005","90","","104.85","0.005","90","","1042.88","0.14","143","2","143","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","María Victoria Roux; Juan Z. Dávalos; Pilar Jiménez; Rafael Notario; Obis Castaño; James S. Chickos; William Hanshaw; Hui Zhao; Nigam Rath; Joel F. Liebman; Behzad S. Farivar; A. Bashir-Hashemi","","Journal of Organic Chemistry","2005","70","","5461","5470","10.1021/jo050471+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020324","11.6293","0.0015","13.7395","0.0018","16.846","0.002","90","","105.51","0.002","90","","2593.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Cl6 Cu2 N4 -","- C23 H20 Cl6 Cu2 N4 -","- C92 H80 Cl24 Cu8 N16 -","4","1","","Fabian Mohr; Seth A. Binfield; James C. Fettinger; Andrei N. Vedernikov","","Journal of Organic Chemistry","2005","70","","4833","4839","10.1021/jo050485f","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020325","21.008","0.016","8.111","0.007","15.895","0.013","90","","99.683","0.013","90","","2670","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl3 Cu N2 -","- C11 H9 Cl3 Cu N2 -","- C88 H72 Cl24 Cu8 N16 -","8","1","","Fabian Mohr; Seth A. Binfield; James C. Fettinger; Andrei N. Vedernikov","","Journal of Organic Chemistry","2005","70","","4833","4839","10.1021/jo050485f","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020326","9.1922","0.0007","9.1922","0.0007","29.597","0.003","90","","90","","120","","2165.8","0.3","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C90 H138 N6 O24 -","6","1","","Albert Padwa; John D. Ginn","","Journal of Organic Chemistry","2005","70","","5197","5206","10.1021/jo050515e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020327","13.346","0.002","9.489","0.002","36.686","0.007","89","","89","","90","","4645","1","123.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H17 N5 O -","- C29 H17 N5 O -","- C232 H136 N40 O8 -","8","2","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020328","8.925","0.002","8.797","0.002","31.697","0.007","90","","90","","90","","2488.8","0.8","293.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N5 O -","- C29 H23 N5 O -","- C116 H92 N20 O4 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020329","11.072","0.005","8.503","0.004","24.75","0.01","90","","102.306","0.007","90","","2276","1","153.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 O5 -","- C28 H28 O5 -","- C112 H112 O20 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020330","8.434","0.003","10.485","0.004","25.37","0.009","90","","90","","90","","2243","1","153.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O5 -","- C28 H28 O5 -","- C112 H112 O20 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020331","11.679","0.003","17.481","0.005","20.736","0.005","90","","90","","90","","4233","1","153.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H58 O8 -","- C48 H58 O8 -","- C192 H232 O32 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020332","5.415","0.0002","13.688","0.0005","16.849","0.0007","65.87","0.0015","83.086","0.0015","81.892","0.0018","1125.62","0.07","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H23 F3 N2 O6 S -","- C21 H23 F3 N2 O6 S -","- C42 H46 F6 N4 O12 S2 -","2","2","","Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez Osés; Jesús M. Peregrina","","Journal of Organic Chemistry","2005","70","","5721","5724","10.1021/jo0505371","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020333","10.4839","0.0004","11.3456","0.0005","12.2094","0.0006","103.358","0.002","91.172","0.002","102.271","0.0019","1376.99","0.1","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N2 O6 -","- C34 H32 N2 O6 -","- C68 H64 N4 O12 -","2","1","","Daniel L. Comins; Jeffery T. Kuethe; Teresa M. Miller; Florence C. Février; Clinton A. Brooks","Diels-Alder Reactions of N-Acyl-2-alkyl(aryl)-5-vinyl-2,3-dihydro-4-pyridones","Journal of Organic Chemistry","2005","70","","5221","5234","10.1021/jo050559n","","","","","","","","","","","0.051","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4020334","11.9383","0.0015","12.2754","0.0013","13.8877","0.001","104.563","0.008","90.496","0.008","116.938","0.008","1738.3","0.3","219","","219","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 N O9 S2 -","- C36 H39 N O9 S2 -","- C72 H78 N2 O18 S4 -","2","1","","Daniel L. Comins; Jeffery T. Kuethe; Teresa M. Miller; Florence C. Février; Clinton A. Brooks","Diels-Alder Reactions of N-Acyl-2-alkyl(aryl)-5-vinyl-2,3-dihydro-4-pyridones","Journal of Organic Chemistry","2005","70","","5221","5234","10.1021/jo050559n","","","","","","","","","","","0.047","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020335","8.347","0.003","11.71","0.002","19.072","0.002","90","","97.94","0.02","90","","1846.2","0.7","193.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cl O P S Se -","- C19 H14 Cl O P S Se -","- C76 H56 Cl4 O4 P4 S4 Se4 -","4","1","","Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato","","Journal of Organic Chemistry","2005","70","","5611","5617","10.1021/jo050576c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020336","8.719","0.004","13.16","0.006","15.8","0.007","90","","90","","90","","1812","1","296.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N P S Se -","- C16 H22 N P S Se -","- C64 H88 N4 P4 S4 Se4 -","4","1","","Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato","","Journal of Organic Chemistry","2005","70","","5611","5617","10.1021/jo050576c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020337","16.757","0.001","10.0442","0.0007","22.95","0.002","90","","98.946","0.004","90","","3815.7","0.5","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 F3 O3 P S2 Se -","- C13 H20 F3 O3 P S2 Se -","- C104 H160 F24 O24 P8 S16 Se8 -","8","2","","Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato","","Journal of Organic Chemistry","2005","70","","5611","5617","10.1021/jo050576c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020338","15.4862","0.0017","8.2197","0.0009","12.8638","0.0014","90","","90","","90","","1637.5","0.3","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C72 H96 O16 -","8","2","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020339","12.481","0.005","7.817","0.003","12.573","0.005","90","","98.844","0.007","90","","1212.1","0.9","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020340","10.265","0.0016","5.715","0.0009","16.464","0.003","90","","105.233","0.002","90","","931.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020341","5.439","0.0007","15.375","0.002","10.6474","0.0014","90","","98.727","0.002","90","","880.1","0.2","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C40 H56 O8 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020342","8.2709","0.0009","12.1819","0.0012","8.7432","0.0009","90","","96.475","0.002","90","","875.3","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl O2 -","- C9 H11 Cl O2 -","- C36 H44 Cl4 O8 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020343","12.177","0.002","9.0889","0.0016","8.1797","0.0014","90","","98.466","0.003","90","","895.5","0.3","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C40 H56 O8 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020344","10.6025","0.0004","17.5485","0.0006","37.3067","0.0013","90","","90","","90","","6941.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H78 N9 O21 Rh2 -","- C66 H76 N9 O20 Rh2 -","- C264 H304 N36 O80 Rh8 -","4","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020345","10.8222","0.0014","21.851","0.003","30.51","0.004","90","","90","","90","","7214.9","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Rh2-complex","","","- C66 H84 N8 O22 Rh2 -","- C66 H84.003 N8 O22 Rh2 -","- C264 H336.012 N32 O88 Rh8 -","4","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020346","15.934","0.003","22.317","0.005","24.695","0.005","90","","90","","90","","8782","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C71 H80 N12 O32 Rh2 S4 -","- C71 H80 N12 O32 Rh2 S4 -","- C284 H320 N48 O128 Rh8 S16 -","4","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4020347","14.485","0.0009","15.0017","0.0009","20.52","0.0012","72.813","0.001","89.553","0.001","75.871","0.001","4121","0.4","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C151.5 H164 N28 O48.5 Rh4 S8 -","- C151.5 H164 N28 O48.5 Rh4 S8 -","- C151.5 H164 N28 O48.5 Rh4 S8 -","1","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020348","12.6291","0.0015","5.2257","0.0006","14.0074","0.0016","90","","113.694","0.0019","90","","846.5","0.17","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C52 H24 F8 -","2","1","","Darryl J. Morrison; Tyler K. Trefz; Warren E. Piers; Robert McDonald; Masood Parvez","","Journal of Organic Chemistry","2005","70","","5309","5312","10.1021/jo0506231","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020349","7.096","0.002","11.347","0.003","12.659","0.004","98.315","0.009","95.017","0.009","101.142","0.017","982.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H12 Br F5 -","- C26 H12 Br F5 -","- C52 H24 Br2 F10 -","2","1","","Darryl J. Morrison; Tyler K. Trefz; Warren E. Piers; Robert McDonald; Masood Parvez","","Journal of Organic Chemistry","2005","70","","5309","5312","10.1021/jo0506231","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020350","5.5724","0.0008","12.1744","0.0018","24.426","0.004","90","","90","","90","","1657","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13.33 Cl0.67 N2 O0.67 -","- C12 H13.3333 Cl0.666667 N2 O0.666667 -","- C72 H80 Cl4 N12 O4 -","6","1.5","","Mark S. Kerr; Javier Read de Alaniz; Tomislav Rovis","","Journal of Organic Chemistry","2005","70","","5725","5728","10.1021/jo050645n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020351","7.3144","0.0005","8.326","0.0006","23.569","0.0017","90","","90","","90","","1435.34","0.18","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Thomas Hjelmgaard; Inger Søtofte; David Tanner","","Journal of Organic Chemistry","2005","70","","5688","5697","10.1021/jo0506682","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020352","17.506","0.004","6.9612","0.0016","24.205","0.005","90","","103.629","0.004","90","","2866.7","1.1","105","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cl3 N3 O -","- C34 H26 Cl3 N3 O -","- C136 H104 Cl12 N12 O4 -","4","1","","Michael J. Hall; Shane O. McDonnell; John Killoran; Donal F. O'Shea","","Journal of Organic Chemistry","2005","70","","5571","5578","10.1021/jo050696k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020353","7.3906","0.0005","12.5141","0.0009","18.0913","0.0012","90","","98.244","0.002","90","","1655.9","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O S -","- C18 H20 N2 O S -","- C72 H80 N8 O4 S4 -","4","2","","James C. Anderson; Gareth P. Howell; Ron M. Lawrence; Claire S. Wilson","","Journal of Organic Chemistry","2005","70","","5665","5670","10.1021/jo050762i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020354","17.447","0.008","6.625","0.003","7.767","0.004","90","","90","","90","","897.8","0.7","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H5 N3 O2 -","- C10 H5 N3 O2 -","- C40 H20 N12 O8 -","4","0.5","","Jordan R. Quinn; Steven C. Zimmerman","Structure-Function Studies on a Synthetic Guanosine Receptor That Simultaneously Binds Watson-Crick and Hoogsteen Sites","Journal of Organic Chemistry","2005","70","","7459","7467","10.1021/jo0501689","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020355","13.103","","10.466","","20.244","","90","","102.35","","90","","2711.9","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N O5 P S -","- C28 H30 N O5 P S -","- C112 H120 N4 O20 P4 S4 -","4","1","","Jean-Luc Pirat; Jérôme Monbrun; David Virieux; Jean-Noël Volle; Monique Tillard; Henri-Jean Cristau","Diastereoselective Addition of 2H-2-Oxo-1,4,2-oxazaphosphinanes to Aldehydes and Imines","Journal of Organic Chemistry","2005","70","","7035","7041","10.1021/jo050201r","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020356","9.6172","0.0009","10.6768","0.001","18.0297","0.0016","90","","90","","90","","1851.3","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O8 -","- C19 H25 N O8 -","- C76 H100 N4 O32 -","4","1","","Michael L. Wilson; Patrick J. Carroll; David R. Dalton","","Journal of Organic Chemistry","2005","70","","6492","6495","10.1021/jo050264+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020357","15.2205","0.0013","6.8785","0.0005","18.554","0.0017","90","","108.506","0.001","90","","1842.1","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","2","","Michael L. Wilson; Patrick J. Carroll; David R. Dalton","","Journal of Organic Chemistry","2005","70","","6492","6495","10.1021/jo050264+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020358","9.4604","0.0015","9.2409","0.0015","14.71","0.002","90","","95.02","0.02","90","","1281.1","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 N2 O2 S2 -","- C26 H36 N2 O2 S2 -","- C52 H72 N4 O4 S4 -","2","1","","Maurizio Benaglia; Tiziana Benincori; Patrizia Mussini; Tullio Pilati; Simona Rizzo; Franco Sannicolò","Steric and Electronic Tuning of Chiral Bis(oxazoline) Ligands with 3,3'-Bithiophene Backbone","Journal of Organic Chemistry","2005","70","","7488","7495","10.1021/jo050267m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020359","11.6524","0.0003","12.5094","0.0001","14.5268","0.0005","80.161","0.002","73.563","0.001","74.995","0.002","1950.78","0.09","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N4 O7 S3 -","- C36 H40 N4 O7 S3 -","- C72 H80 N8 O14 S6 -","2","1","","Sven H. Hausner; Cynthia A. F. Striley; Jeanette A. Krause-Bauer; Hans Zimmer","","Journal of Organic Chemistry","2005","70","","5804","5817","10.1021/jo050281z","","","","","","","0.0784","","","0.2227","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020360","12.733","0.002","8.8578","0.0013","13.232","0.002","90","","96.619","0.003","90","","1482.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C60 H88 N8 O12 -","2","0.5","","Sven H. Hausner; Cynthia A. F. Striley; Jeanette A. Krause-Bauer; Hans Zimmer","","Journal of Organic Chemistry","2005","70","","5804","5817","10.1021/jo050281z","","","","","","","0.0619","","","0.1148","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020361","14.8742","0.0014","6.7877","0.0007","16.8008","0.0016","90","","108.737","0.002","90","","1606.3","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(8-Formyl-pyren-1-yl)-benzonitrile","","","- C24 H13 N O -","- C24 H13 N O -","- C96 H52 N4 O4 -","4","1","","Matthias Beinhoff; Wilfried Weigel; Wolfgang Rettig; Irene Brüdgam; Hans Hartl; Dieter Schlüter","Towards Quantifying a Solvation Gradient in Dendrimers. Phenylene-Alkylene-Dendrons with Site-Specifically Incorporated Solvatochromic Pyrene Probes","Journal of Organic Chemistry","2005","70","","6583","6591","10.1021/jo050302p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020362","14.929","0.003","11.194","0.002","15.075","0.003","90","","99.23","0.03","90","","2486.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Br N2 O6 -","- C25 H20 Br N2 O6 -","- C100 H80 Br4 N8 O24 -","4","1","","James R. Davies; Peter D. Kane; Christopher J. Moody; Alexandra M. Z. Slawin","","Journal of Organic Chemistry","2005","70","","5840","5851","10.1021/jo050303h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020363","21.844","0.009","9.342","0.004","24.778","0.01","90","","90","","90","","5057","4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C192 H256 N16 O48 -","8","1","","James R. Davies; Peter D. Kane; Christopher J. Moody; Alexandra M. Z. Slawin","","Journal of Organic Chemistry","2005","70","","5840","5851","10.1021/jo050303h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020364","7.5246","0.001","31.609","0.004","9.677","0.0013","90","","98.095","0.002","90","","2278.7","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","","James R. Davies; Peter D. Kane; Christopher J. Moody; Alexandra M. Z. Slawin","","Journal of Organic Chemistry","2005","70","","5840","5851","10.1021/jo050303h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020365","10.4273","0.0002","9.251","0.0002","11.9107","0.0002","90","","98.884","0.001","90","","1135.16","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","2","","Weiming Luo; Qian-sheng Yu; Harold W. Holloway; Damon Parrish; Nigel H. Greig; Arnold Brossi","","Journal of Organic Chemistry","2005","70","","6171","6176","10.1021/jo0503052","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020366","13.0355","0.0019","13.636","0.002","8.6759","0.0012","90","","100.941","0.002","90","","1514.1","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Weiming Luo; Qian-sheng Yu; Harold W. Holloway; Damon Parrish; Nigel H. Greig; Arnold Brossi","","Journal of Organic Chemistry","2005","70","","6171","6176","10.1021/jo0503052","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020367","5.924","0.0002","14.236","0.0003","7.727","0.0006","90","","102.184","0.002","90","","636.97","0.06","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H24 N4 -","- C13 H24 N4 -","- C26 H48 N8 -","2","1","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020368","16.4812","0.0011","12.3362","0.0007","17.855","0.0016","90","","90","","90","","3630.2","0.5","115","2","115","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H29 Br N4 -","- C19 H29 Br N4 -","- C152 H232 Br8 N32 -","8","1","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020369","12.311","0.0002","8.18","0.0001","31.303","0.0005","90","","99.872","0.001","90","","3105.66","0.08","115","2","115","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Cl N4 O2.5 -","- C12 H28 Cl N4 O2.5 -","- C96 H224 Cl8 N32 O20 -","8","1","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020370","7.084","0.0005","10.3889","0.0005","8.9091","0.0005","90","","98.045","0.001","90","","649.2","0.2","115","2","115","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 N4 -","- C14 H26 N4 -","- C28 H52 N8 -","2","0.5","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020371","13.678","0.004","15.941","0.003","17.499","0.003","90","","103.49","0.02","90","","3710","1","301.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H46 N4 O8 Si -","- C34 H46 N4 O8 Si -","- C136 H184 N16 O32 Si4 -","4","1","","Ken-ichi Sato; Shoji Akai; Naoki Sugita; Tadatsugu Ohsawa; Tomokazu Kogure; Hirotsugu Shoji; Juji Yoshimura","Novel and Stereocontrolled Synthesis of (±)-Tetrodotoxin from myo-Inositol","Journal of Organic Chemistry","2005","70","","7496","7504","10.1021/jo050342t","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020372","6.928","","9.9129","","12.5725","","90","","90","","90","","863.44","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H N S -","- C28 H52 N4 O8 S4 -","- C28 H52 N4 O8 S4 -","","","","Li Gao; Rawle I. Hollingsworth","Design and Evaluation of Dihydroxytetrahydro-1H-pyrrolo[2,1-c]-[1,4]benzothiazines as Conformationally Restricted Transition-State Inhibitors of β-Ribosidases","Journal of Organic Chemistry","2005","70","","9013","9016","10.1021/jo050374g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020374","5.6269","0.0006","36.295","0.004","7.6556","0.0009","90","","90.712","0.004","90","","1563.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","2","","Jonathan D. Toker; Martin R. Tremblay; Jari Yli-Kauhaluoma; Anita D. Wentworth; Bin Zhou; Paul Wentworth, Jr.; Kim D. Janda","Exploring the Scope of the 29G12 Antibody Catalyzed 1,3-Dipolar Cycloaddition Reaction","Journal of Organic Chemistry","2005","70","","7810","7815","10.1021/jo050410b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020375","9.729","0.001","10.142","0.003","10.829","0.002","111.07","0.02","91.51","0.02","106.99","0.02","943.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C50 H38 N2 O6 -","2","1","","Hassan Sheibani; Paul V. Bernhardt; Curt Wentrup","","Journal of Organic Chemistry","2005","70","","5859","5861","10.1021/jo050428m","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020376","16.512","0.0002","12.197","0.0002","26.853","0.0004","90","","99.718","0.0005","90","","5330.51","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 O7 W -","- C29 H22 O7 W -","- C232 H176 O56 W8 -","8","1","","Vito Capriati; Saverio Florio; Renzo Luisi; Filippo Maria Perna; José Barluenga","","Journal of Organic Chemistry","2005","70","","5852","5858","10.1021/jo050443r","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020377","7.674","0.001","13.3249","0.0017","25.56","0.003","90","","91.49","0.003","90","","2612.8","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F3 N2 O -","- C15 H11 F3 N2 O -","- C120 H88 F24 N16 O8 -","8","2","","Choong Leol Yoo; James C. Fettinger; Mark J. Kurth","Stannous Chloride in Alcohol: A One-Pot Conversion of 2-Nitro-N-arylbenzamides to 2,3-Dihydro-1H-quinazoline-4-ones","Journal of Organic Chemistry","2005","70","","6941","6943","10.1021/jo050450f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020378","7.8186","0.0005","12.8815","0.0008","13.7597","0.0008","90","","90","","90","","1385.81","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 F3 N2 O -","- C16 H13 F3 N2 O -","- C64 H52 F12 N8 O4 -","4","1","","Choong Leol Yoo; James C. Fettinger; Mark J. Kurth","Stannous Chloride in Alcohol: A One-Pot Conversion of 2-Nitro-N-arylbenzamides to 2,3-Dihydro-1H-quinazoline-4-ones","Journal of Organic Chemistry","2005","70","","6941","6943","10.1021/jo050450f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020379","10.1002","0.0006","11.4854","0.0007","11.816","0.0007","90","","90","","90","","1370.71","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Fe N4 O -","- C17 H12 Fe N4 O -","- C68 H48 Fe4 N16 O4 -","4","1","","Francisco Otón; Alberto Tarraga; Arturo Espinosa; Maria D. Velasco; Delia Bautista; Pedro Molina","Preparation, Structure, and Anion Sensing Properties of 1,n-Diaza[n]ferrocenophanes","Journal of Organic Chemistry","2005","70","","6603","6608","10.1021/jo050458p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020380","14.755","0.003","12.198","0.002","6.98","0.0014","90","","97.27","0.03","90","","1246.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N4 S -","- C13 H10 N4 S -","- C52 H40 N16 S4 -","4","0.5","","Fangfang Jian; Pusu Zhao; Lan Zhang; Yuxia Hou","Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical Studies on Atomic Charge Distributions of 2,3-Diphenyltetrazole-5-thione","Journal of Organic Chemistry","2005","70","","8322","8326","10.1021/jo0504767","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020381","18.381","0.004","6.1799","0.0012","6.1865","0.0012","90","","90","","90","","702.7","0.2","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C7.5 H7 N2 S0.5 -","- C7.5 H7 N2 S0.5 -","- C30 H28 N8 S2 -","4","1","","Fangfang Jian; Pusu Zhao; Lan Zhang; Yuxia Hou","Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical Studies on Atomic Charge Distributions of 2,3-Diphenyltetrazole-5-thione","Journal of Organic Chemistry","2005","70","","8322","8326","10.1021/jo0504767","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020382","5.16","0.002","10.5619","0.0007","11.939","0.002","108.097","0.008","99","0.03","94.537","0.017","605.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O6 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","","Teresa M. V. D. Pinho e Melo; Maria I. L. Soares; António M. d'A. Rocha Gonsalves; José A. Paixão; Ana Matos Beja; Manuela Ramos Silva","N-Vinyl- and C-Vinylpyrroles from Azafulvenium Methides. Flash Vacuum Pyrolysis Route to 5-Oxo-5H-pyrrolizines and 1-Azabenzo[f]azulenes","Journal of Organic Chemistry","2005","70","","6629","6638","10.1021/jo050480i","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020383","13.1511","0.0009","14.4021","0.001","15.4194","0.0011","87.811","0.001","76.823","0.001","62.993","0.001","2526.3","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Cl3 I O2 Si -","- C50 H64 Cl3 I O2 Si -","- C100 H128 Cl6 I2 O4 Si2 -","2","1","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions","Journal of Organic Chemistry","2005","70","","8273","8280","10.1021/jo050488s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020384","13.2179","0.001","18.0859","0.0014","22.4324","0.0018","106.191","0.001","90.743","0.001","101.502","0.002","5033.1","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H63 F3 O5 S Si -","- C50 H58.5 F3 O5 S Si -","- C200 H234 F12 O20 S4 Si4 -","4","2","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions","Journal of Organic Chemistry","2005","70","","8273","8280","10.1021/jo050488s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020385","11.757","0.004","46.193","0.014","9.611","0.003","90","","106.585","0.005","90","","5002","3","193","2","193","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C60 H64 O2 -","- C60 H64 O2 -","- C240 H256 O8 -","4","1","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions","Journal of Organic Chemistry","2005","70","","8273","8280","10.1021/jo050488s","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020386","14.0559","0.0014","24.827","0.002","12.3001","0.0012","90","","92.362","0.002","90","","4288.6","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55 F3 O5 S -","- C47 H55 F3 O5 S -","- C188 H220 F12 O20 S4 -","4","1","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions","Journal of Organic Chemistry","2005","70","","8273","8280","10.1021/jo050488s","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020387","14.013","0.002","13.884","0.002","12.1079","0.0018","90","","120.106","0.002","90","","2037.9","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C16 H21 Br Cl3 N O Pd -","- C16 H21 Br Cl3 N O Pd -","- C64 H84 Br4 Cl12 N4 O4 Pd4 -","4","1","","Ke Yuan; Ting Ke Zhang; Xue Long Hou","","Journal of Organic Chemistry","2005","70","","6085","6088","10.1021/jo050491b","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020388","14.914","0.0013","8.475","0.0011","11.915","0.0006","90","0.005","102.592","0.006","90","0.01","1469.8","0.2","122","2","122","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","E,E-2,3,4,5-Tetrabromo-1,4-Bis- [2-(N-methyl-pyridininium)-vinyl]-benzene methylsulfate","","","- C24 H24 Br4 N2 O8 S2 -","- C24 H24 Br4 N2 O8 S2 -","- C48 H48 Br8 N4 O16 S4 -","2","0.5","","Christian B. Nielsen; Mette Johnsen; Jacob Arnbjerg; Michael Pittelkow; Sean P. McIlroy; Peter R. Ogilby; Mikkel Jørgensen","Synthesis and Characterization of Water-Soluble Phenylene-Vinylene-Based Singlet Oxygen Sensitizers for Two-Photon Excitation","Journal of Organic Chemistry","2005","70","","7065","7079","10.1021/jo050507y","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020389","8.1636","0.0013","8.7184","0.0014","10.1021","0.0016","79.409","0.004","74.124","0.004","81.613","0.004","676.31","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 N3 O5 P -","- C11 H14 N3 O5 P -","- C22 H28 N6 O10 P2 -","2","1","","Diana S. Stoianova; Alan Whitehead; Paul R. Hanson","P-Heterocyclic Building Blocks: Application to the Stereoselective Synthesis of P-Sugars.","Journal of Organic Chemistry","2005","70","","5880","5889","10.1021/jo0505122","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020390","10.7925","0.0016","11.2104","0.0017","15.047","0.002","90","","90","","90","","1820.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O5 S -","- C17 H26 N2 O5 S -","- C68 H104 N8 O20 S4 -","4","1","","Ravindranadh V. Somu; Rodney L. Johnson","","Journal of Organic Chemistry","2005","70","","5954","5963","10.1021/jo050529k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020391","9.8902","0.0013","10.0941","0.0013","23.188","0.003","90","","90","","90","","2314.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N4 O5 S -","- C21 H32 N4 O5 S -","- C84 H128 N16 O20 S4 -","4","1","","Ravindranadh V. Somu; Rodney L. Johnson","","Journal of Organic Chemistry","2005","70","","5954","5963","10.1021/jo050529k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020392","11.476","0.002","14.104","0.002","14.63","0.002","90","","90","","90","","2367.9","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N4 O6 S -","- C21 H34 N4 O6 S -","- C84 H136 N16 O24 S4 -","4","1","","Ravindranadh V. Somu; Rodney L. Johnson","","Journal of Organic Chemistry","2005","70","","5954","5963","10.1021/jo050529k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020393","9.6126","0.0006","25.343","0.0017","8.5716","0.0006","90","","107.937","0.001","90","","1986.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C92 H80 N8 O12 S4 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020394","11.7418","0.0012","7.5791","0.0007","25.423","0.003","90","","97.206","0.002","90","","2244.6","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O4 S -","- C25 H26 N2 O4 S -","- C100 H104 N8 O16 S4 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020395","7.9459","0.0015","10.902","0.002","12.047","0.002","96.386","0.003","94.215","0.004","95.746","0.004","1028.1","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O4 S -","- C24 H21 N O4 S -","- C48 H42 N2 O8 S2 -","2","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020396","10.626","0.0016","20.419","0.003","9.0204","0.0012","90","","108.971","0.003","90","","1850.8","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl N2 -","- C22 H25 Cl N2 -","- C88 H100 Cl4 N8 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020397","12.1159","0.0012","11.3755","0.0011","10.6198","0.001","90","","95.253","0.002","90","","1457.5","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020398","9.2246","0.0008","11.634","0.0011","14.77","0.0014","90","","91.058","0.002","90","","1584.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020399","12.5015","0.0008","35.409","0.002","14.2168","0.001","90","","110.7","0.008","90","","5887.1","0.7","200","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C59 H75 N3 O4 S5 -","- C59 H73 N3 O4 S5 -","- C236 H292 N12 O16 S20 -","4","1","","Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé","","Journal of Organic Chemistry","2005","70","","6254","6257","10.1021/jo0505876","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020400","12.9144","0.0009","23.419","0.0013","38.574","0.003","90","","90","","90","","11666.4","1.4","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C117 H149 Cl2 N5 O8 S8 -","- C117 H128 Cl2 N5 O8 S8 -","- C468 H512 Cl8 N20 O32 S32 -","4","1","","Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé","","Journal of Organic Chemistry","2005","70","","6254","6257","10.1021/jo0505876","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020401","8.047","0.002","8.266","0.002","10.044","0.003","101.308","0.004","106.61","0.004","113.598","0.004","548.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Li2 O4 S2 -","- C20 H30 Li2 O4 S2 -","- C20 H30 Li2 O4 S2 -","1","0.5","","Kevin L. Jantzi; Craig L. Puckett; Ilia A. Guzei; Hans J. Reich","Solution Structure and Chelation Properties of 2-Thienyllithium Reagents","Journal of Organic Chemistry","2005","70","","7520","7529","10.1021/jo050592+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020402","4.354","0.004","22.74","0.02","12.12","0.01","90","","105.022","0.008","90","","1159","1.8","296.2","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","","Yoshihito Ueno; Takumi Kato; Kumiko Sato; Yasutomo Ito; Mahito Yoshida; Takumi Inoue; Aya Shibata; Masahiro Ebihara; Yukio Kitade","Synthesis and Properties of Nucleic Acid Analogues Consisting of a Benzene-Phosphate Backbone","Journal of Organic Chemistry","2005","70","","7925","7935","10.1021/jo050635m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020403","8.4023","0.0002","16.1062","0.0004","17.4221","0.0006","90","","90","","90","","2357.72","0.11","150","","150","","","","","","","","","3","P n a a","-P 2ac 2bc","56","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C112 H128 O16 -","8","1","","Jeremy Robertson; Petra M. Stafford; Stephen J. Bell","Silatropic Carbonyl Ene Cyclizations in the Synthesis of Pseudosugars and Hydroxylated Piperidines","Journal of Organic Chemistry","2005","70","","7133","7148","10.1021/jo050644v","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020404","11.4814","0.0001","36.1664","0.0005","14.6605","0.0002","90","","99.361","0.001","90","","6006.57","0.13","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 F10 N6 O5 -","- C55 H81 F10 N6 O4 -","- C220 H324 F40 N24 O16 -","4","1","","Jonathan L. Sessler; Won-Seob Cho; Dustin E. Gross; James A. Shriver; Vincent M. Lynch; Manuel Márquez","","Journal of Organic Chemistry","2005","70","","5982","5986","10.1021/jo050662c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020405","13.6372","0.0002","17.3214","0.0002","21.0872","0.0003","65.928","0.001","85.442","0.001","81.976","0.001","4502.01","0.11","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 Cl F8 N5 -","- C44 H64 Cl F8 N5 -","- C176 H256 Cl4 F32 N20 -","4","2","","Jonathan L. Sessler; Won-Seob Cho; Dustin E. Gross; James A. Shriver; Vincent M. Lynch; Manuel Márquez","","Journal of Organic Chemistry","2005","70","","5982","5986","10.1021/jo050662c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020406","7.828","0.001","14.7948","0.0018","20.827","0.003","90","","96.982","0.002","90","","2394.2","0.5","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N6 S2 -","- C27 H22 N6 S2 -","- C108 H88 N24 S8 -","4","1","","Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel","Benzotriazole-Assisted Thioacylation","Journal of Organic Chemistry","2005","70","","7866","7881","10.1021/jo050670t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020407","7.3216","0.0013","21.448","0.004","28.651","0.005","90","","90","","90","","4499.2","1.4","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H18 N6 S2 -","- C25 H18 N6 S2 -","- C200 H144 N48 S16 -","8","1","","Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel","Benzotriazole-Assisted Thioacylation","Journal of Organic Chemistry","2005","70","","7866","7881","10.1021/jo050670t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020408","9.8636","0.0015","10.2583","0.0016","10.4084","0.0016","99.58","0.003","107.887","0.003","115.446","0.002","848.7","0.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","15d","","","- C16 H16 N6 S2 -","- C16 H16 N6 S2 -","- C32 H32 N12 S4 -","2","1","","Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel","Benzotriazole-Assisted Thioacylation","Journal of Organic Chemistry","2005","70","","7866","7881","10.1021/jo050670t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020409","6.8229","0.0008","15.473","0.0017","18.734","0.002","90","","90","","90","","1977.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O9 -","- C19 H27 N O9 -","- C76 H108 N4 O36 -","4","1","","Jhimli Sengupta; Ranjan Mukhopadhyay; Anup Bhattacharjya; Mohan M. Bhadbhade; Gaurav V. Bhosekar","Synthesis and Intramolecular Nitrile Oxide Cycloaddition of 3,5'-Ether-Linked Pseudooligosaccharide Derivatives: An Approach to Chiral Macrooxacycles","Journal of Organic Chemistry","2005","70","","8579","8582","10.1021/jo050689w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020410","11.9781","0.0011","12.6453","0.0011","12.747","0.0011","91.735","0.002","99.01","0.002","104.966","0.002","1837.2","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H28 F6 N2 S2 -","- C45 H28 F6 N2 S2 -","- C90 H56 F12 N4 S4 -","2","1","","Hyunbong Choi; Hyowon Lee; Youngjin Kang; Eunkyoung Kim; Sang Ook Kang; Jaejung Ko","Photochromism and Electrical Transport Characteristics of a Dyad and a Polymer with Diarylethene and Quinoline Units","Journal of Organic Chemistry","2005","70","","8291","8297","10.1021/jo050710t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020411","11.5153","0.0008","13.6718","0.001","15.2276","0.0011","109.756","0.001","105.981","0.001","102.121","0.002","2043.8","0.3","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F6 N2 O S2 -","- C46 H28 F6 N2 O S2 -","- C92 H56 F12 N4 O2 S4 -","2","1","","Hyunbong Choi; Hyowon Lee; Youngjin Kang; Eunkyoung Kim; Sang Ook Kang; Jaejung Ko","Photochromism and Electrical Transport Characteristics of a Dyad and a Polymer with Diarylethene and Quinoline Units","Journal of Organic Chemistry","2005","70","","8291","8297","10.1021/jo050710t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020412","7.2972","0.0006","8.6769","0.0007","9.8312","0.0012","114.432","0.002","111.244","0.002","92.708","0.002","513.78","0.09","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H24 Fe N2 -","- C27 H24 Fe N2 -","- C27 H24 Fe N2 -","1","1","","Jimmi Gerner Seitzberg; Carsten Dissing; Inger Søtofte; Per-Ola Norrby; Mogens Johannsen","Design and Synthesis of a New Type of Ferrocene-Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis","Journal of Organic Chemistry","2005","70","","8332","8337","10.1021/jo050714y","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020413","9.0037","0.0004","23.3605","0.001","10.2352","0.0005","90","","105.384","0.001","90","","2075.64","0.16","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 Fe N2 -","- C27 H24 Fe N2 -","- C108 H96 Fe4 N8 -","4","2","","Jimmi Gerner Seitzberg; Carsten Dissing; Inger Søtofte; Per-Ola Norrby; Mogens Johannsen","Design and Synthesis of a New Type of Ferrocene-Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis","Journal of Organic Chemistry","2005","70","","8332","8337","10.1021/jo050714y","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020414","14.3192","0.0008","14.3192","0.0008","27.995","0.002","90","","90","","120","","4971.1","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C168 H192 N18 O75 -","- C168 H186 N18 O75.06 -","- C168 H186 N18 O75.06 -","1","0.0555556","","Valentyn Rudzevich; Dieter Schollmeyer; Damien Braekers; Jean F. Desreux; Romain Diss; Georges Wipff; Volker Böhmer","Carbamoylmethylphosphinoxide (CMPO) Derivatives Besed on the Triphenylmethyl Skeleton. Synthesis and Extraction Properties","Journal of Organic Chemistry","2005","70","","6027","6033","10.1021/jo050717a","","","","","","","","","","0.2175","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020415","12.4354","0.0005","12.1584","0.0003","17.9173","0.0008","90","","95.922","0.002","90","","2694.54","0.18","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 O9 -","- C28 H25 N3 O9 -","- C112 H100 N12 O36 -","4","1","","Valentyn Rudzevich; Dieter Schollmeyer; Damien Braekers; Jean F. Desreux; Romain Diss; Georges Wipff; Volker Böhmer","Carbamoylmethylphosphinoxide (CMPO) Derivatives Besed on the Triphenylmethyl Skeleton. Synthesis and Extraction Properties","Journal of Organic Chemistry","2005","70","","6027","6033","10.1021/jo050717a","","","","","","","","","","0.1512","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020416","9.792","0.004","10.144","0.005","22.818","0.014","90","","90","","90","","2266.5","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","FLAMANT021","","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C84 H120 N8 O20 -","4","1","","Sukeerthi Kumar; Céline Flamant-Robin; Qian Wang; Angèle Chiaroni; N. André Sasaki","","Journal of Organic Chemistry","2005","70","","5946","5953","10.1021/jo050736k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020417","8.142","0.005","10.888","0.005","14.672","0.005","95.894","0.005","99.268","0.005","102.143","0.005","1242.3","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H28 O15 -","- C22 H28 O15 -","- C44 H56 O30 -","2","1","","Faiz Ahmed Khan; Jyotirmayee Dash; Ch. Sudheer; Nilam Sahu; Karuppasamy Parasuraman","Concise Synthesis of Novel Oxa-Bridged Compounds","Journal of Organic Chemistry","2005","70","","7565","7577","10.1021/jo0507385","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020418","8.062","0.005","10.868","0.005","13.771","0.005","104.681","0.005","90.614","0.005","102.133","0.005","1138.5","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 Cl2 O12 -","- C21 H24 Cl2 O12 -","- C42 H48 Cl4 O24 -","2","1","","Faiz Ahmed Khan; Jyotirmayee Dash; Ch. Sudheer; Nilam Sahu; Karuppasamy Parasuraman","Concise Synthesis of Novel Oxa-Bridged Compounds","Journal of Organic Chemistry","2005","70","","7565","7577","10.1021/jo0507385","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020419","19.741","0.0015","9.546","0.0009","13.3","0.0011","90","","96.51","0.007","90","","2490.2","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H30 O14 -","- C23 H30 O14 -","- C92 H120 O56 -","4","0.5","","Faiz Ahmed Khan; Jyotirmayee Dash; Ch. Sudheer; Nilam Sahu; Karuppasamy Parasuraman","Concise Synthesis of Novel Oxa-Bridged Compounds","Journal of Organic Chemistry","2005","70","","7565","7577","10.1021/jo0507385","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020420","9.87","0.003","13.506","0.004","21.404","0.006","90","","90","","90","","2853.2","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H47 N3 O4 -","- C24 H47 N3 O4 -","- C96 H188 N12 O16 -","4","1","","Stephen Hanessian; Hongying Yun; Yihua Hou; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Azacyclic Hydroxyethylene Isosteres as Aspartic Protease Inhibitors: Dipolar Cycloaddition and Related Methodologies toward Branched Pyrrolidine and Pyrrolidinone Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6746","6756","10.1021/jo050740w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020421","23.472","0.009","15.475","0.004","19.37","0.004","90","","125.82","0.02","90","","5705","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H45 N3 O5 -","- C25 H45 N3 O5 -","- C200 H360 N24 O40 -","8","2","","Stephen Hanessian; Hongying Yun; Yihua Hou; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Azacyclic Hydroxyethylene Isosteres as Aspartic Protease Inhibitors: Dipolar Cycloaddition and Related Methodologies toward Branched Pyrrolidine and Pyrrolidinone Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6746","6756","10.1021/jo050740w","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020422","10.3139","0.0009","16.569","0.002","22.171","0.003","83.097","0.004","79.186","0.004","77.884","0.004","3625.7","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H96 N12 O18 -","- C66 H78 N10 O16 -","- C132 H156 N20 O32 -","2","1","","Amanda J. Gallant; Joseph K.-H. Hui; Federico E. Zahariev; Yan Alexander Wang; Mark J. MacLachlan","Synthesis, Structure, and Computational Studies of Soluble Conjugated Multidentate Macrocycles","Journal of Organic Chemistry","2005","70","","7936","7946","10.1021/jo050742g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020423","7.109","0.002","9.531","0.002","13.161","0.003","80.08","0.02","83.7","0.02","85.63","0.02","871.5","0.4","298.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C36 H38 N2 O8 S2 -","2","1","","Shengming Ma; Zhenhua Gu; Zhanqian Yu","","Journal of Organic Chemistry","2005","70","","6291","6294","10.1021/jo0507441","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020424","16.8651","0.0017","8.9696","0.001","7.6142","0.0008","90","","90","","90","","1151.8","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","0.5","","Shengming Ma; Zhenhua Gu; Zhanqian Yu","","Journal of Organic Chemistry","2005","70","","6291","6294","10.1021/jo0507441","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020425","5.9105","0.0005","9.4071","0.0008","27.0869","0.0019","90","","94.813","0.007","90","","1500.7","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H38 N2 O5 S2 -","- C31 H38 N2 O5 S2 -","- C62 H76 N4 O10 S4 -","2","1","","Donald Craig; Fabienne Grellepois; Andrew J. P. White","Asymmetric Decarboxylative Claisen Rearrangement Reactions of Sulfoximine-Substituted Allylic Tosylacetic Esters","Journal of Organic Chemistry","2005","70","","6827","6832","10.1021/jo050747d","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020426","11.7597","0.0009","12.5439","0.0008","13.2635","0.0009","108.493","0.006","102.329","0.006","107.814","0.006","1658.7","0.2","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H47 N O3 S2 -","- C32 H47 N O3 S2 -","- C64 H94 N2 O6 S4 -","2","2","","Donald Craig; Fabienne Grellepois; Andrew J. P. White","Asymmetric Decarboxylative Claisen Rearrangement Reactions of Sulfoximine-Substituted Allylic Tosylacetic Esters","Journal of Organic Chemistry","2005","70","","6827","6832","10.1021/jo050747d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020427","8.201","0.0002","12.235","0.0003","35.164","0.0011","90","","90","","90","","3528.33","0.16","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N6 O4 S2 -","- C15 H18 N6 O4 S2 -","- C120 H144 N48 O32 S16 -","8","1","","Regis Leung-Toung; Tim F. Tam; Yanqing Zhao; Craig D. Simpson; Wanren Li; Denis Desilets; Khashayar Karimian","","Journal of Organic Chemistry","2005","70","","6230","6241","10.1021/jo0507486","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020428","9.71","0.003","10.824","0.002","21.069","0.008","90","","90","","90","","2214.4","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C96 H124 N4 O12 -","4","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020429","7.636","0.002","10.547","0.004","15.442","0.007","80.12","0.04","79.42","0.03","68.96","0.03","1133.4","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C48 H62 N2 O6 -","2","2","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020430","10.464","0.004","10.343","0.003","10.866","0.006","90","","93.45","0.04","90","","1173.9","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C54 H58 N2 O6 -","2","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020431","7.781","0.003","24.48","0.011","10.034","0.004","90","","90","","90","","1911.3","1.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020432","10.9502","0.0002","9.038","0.0002","11.4961","0.0002","90","","91.385","0.001","90","","1137.41","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C54 H58 N2 O6 -","2","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020433","12.445","0.003","10.28","0.003","12.701","0.003","90","","111","0.02","90","","1517","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H45 N O3 Si -","- C29.982 H45 N O3 Si -","- C59.964 H90 N2 O6 Si2 -","2","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020434","9.98","0.002","10.189","0.005","10.21","0.003","96.32","0.03","113.03","0.02","105.45","0.03","893.7","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H53 N O2 S2 Si -","- C34 H53 N O2 S2 Si -","- C34 H53 N O2 S2 Si -","1","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020435","5.7176","0.0009","10.4131","0.0015","17.571","0.003","90","","96.229","0.013","90","","1040","0.3","296","2","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 O8 P -","- C18 H25 O8 P -","- C36 H50 O16 P2 -","2","1","","Silvano Cruz-Gregorio; Mario Sánchez; Angel Clara-Sosa; Sylvain Bèrnes; Leticia Quintero; Fernando Sartillo-Piscil","Intramolecular Hydrogen Bonding (P=O‒H) Stabilizes the Chair Conformation of Six-Membered Ring Phosphates","Journal of Organic Chemistry","2005","70","","7107","7113","10.1021/jo050753+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020436","18.3858","0.0003","26.1493","0.0004","10.2794","0.0002","90","","90","","90","","4942.09","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C224 H240 N16 O24 -","8","2","","Gregory K. Friestad; Cristian Draghici; Mustapha Soukri; Jun Qin","","Journal of Organic Chemistry","2005","70","","6330","6338","10.1021/jo050756m","","","","","","","0.0644","","","0.1213","0.1285","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020437","5.9344","0.0002","24.3093","0.0009","9.4231","0.0004","90","","98.668","0.001","90","","1343.86","0.09","150.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O -","- C18 H18 O -","- C72 H72 O4 -","4","1","","Reema K. Thalji; Kateri A. Ahrendt; Robert G. Bergman; Jonathan A. Ellman","Annulation of Aromatic Imines via Directed C-H Bond Activation","Journal of Organic Chemistry","2005","70","","6775","6781","10.1021/jo050757e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020438","16.1589","0.0007","8.0433","0.0002","18.0403","0.0007","90","","93.164","0.001","90","","2341.14","0.15","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 6b","","","- C29 H20 Cl F N2 O2 -","- C29 H20 Cl F N2 O2 -","- C116 H80 Cl4 F4 N8 O8 -","4","1","","Kamal M. Dawood; Toshio Fuchigami","Electrolytic Partial Fluorination of Organic Compounds. Anodic Fluorination of Spiropyrazoline-5,3'-chroman-4-ones and Thiochromanone Analogues. A Route to Aroyl Fluoride Derivatives","Journal of Organic Chemistry","2005","70","","7537","7541","10.1021/jo0507587","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020439","12.859","0.001","14.567","0.002","14.729","0.002","90","","92.67","0.01","90","","2756","0.6","293","2","293","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C31 H20 Cl4 N2 O5 -","- C31 H20 Cl4 N2 O5 -","- C124 H80 Cl16 N8 O20 -","4","1","","Stéphanie Leroy-Lhez; Jérôme Baffreau; Lara Perrin; Eric Levillain; Magali Allain; María-Jesús Blesa; Piétrick Hudhomme","","Journal of Organic Chemistry","2005","70","","6313","6320","10.1021/jo050766n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020440","14.615","0.001","15.929","0.001","8.391","0.002","90","","90","","90","","1953.3","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O2 S -","- C23 H24 O2 S -","- C92 H96 O8 S4 -","4","1","","Chisato Mukai; Fuyuhiko Inagaki; Tatsunori Yoshida; Katsuya Yoshitani; Yasuyuki Hara; Shinji Kitagaki","Rh(I)-Catalyzed Pauson-Khand Reaction and Cycloisomerization of Allenynes: Selective Preparation of Monocyclic, Bicyclo[m.3.0], and Bicyclo[5.2.0] Ring Systems","Journal of Organic Chemistry","2005","70","","7159","7171","10.1021/jo050770z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020441","12.6369","0.0003","12.6369","0.0003","40.5962","0.0009","90","","90","","90","","6482.9","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C64 H94 Ca O16 -","- C64 H94 Ca O16 -","- C256 H376 Ca4 O64 -","4","0.5","","Eun Joo Kang; Eun Jin Cho; Mi Kyung Ji; Young Eun Lee; Dong Mok Shin; Soo Young Choi; Young Keun Chung; Jong-Seo Kim; Hie-Joon Kim; Sueg-Geun Lee; Myoung Soo Lah; Eun Lee","","Journal of Organic Chemistry","2005","70","","6321","6329","10.1021/jo0507993","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020442","13.427","0.003","20.167","0.004","13.818","0.003","90","","112.033","0.004","90","","3468.6","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H99 Cl4 Na O16 -","- C66.007 H98 Cl4 Na O16 -","- C132.014 H196 Cl8 Na2 O32 -","2","1","","Eun Joo Kang; Eun Jin Cho; Mi Kyung Ji; Young Eun Lee; Dong Mok Shin; Soo Young Choi; Young Keun Chung; Jong-Seo Kim; Hie-Joon Kim; Sueg-Geun Lee; Myoung Soo Lah; Eun Lee","","Journal of Organic Chemistry","2005","70","","6321","6329","10.1021/jo0507993","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020443","5.7086","0.0003","13.0589","0.0007","15.2878","0.0008","90","","90","","90","","1139.68","0.1","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Thomas D. Avery; Daniela Caiazza; Julie A. Culbert; Dennis K. Taylor; Edward R. T. Tiekink","1,2-Dioxines Containing Tethered Hydroxyl Functionality as Convenient Precursors for Pyran Syntheses","Journal of Organic Chemistry","2005","70","","8344","8351","10.1021/jo050806n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020444","35.331","0.003","10.4015","0.0008","8.7744","0.0007","90","","96.181","0.002","90","","3205.8","0.4","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","2","","Thomas D. Avery; Daniela Caiazza; Julie A. Culbert; Dennis K. Taylor; Edward R. T. Tiekink","1,2-Dioxines Containing Tethered Hydroxyl Functionality as Convenient Precursors for Pyran Syntheses","Journal of Organic Chemistry","2005","70","","8344","8351","10.1021/jo050806n","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020445","5.5546","0.0005","39.599","0.003","7.3808","0.0006","90","","98.301","0.002","90","","1606.4","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Thomas D. Avery; Daniela Caiazza; Julie A. Culbert; Dennis K. Taylor; Edward R. T. Tiekink","1,2-Dioxines Containing Tethered Hydroxyl Functionality as Convenient Precursors for Pyran Syntheses","Journal of Organic Chemistry","2005","70","","8344","8351","10.1021/jo050806n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020446","11.699","0.008","17.054","0.01","14.58","0.009","90","","107.79","0.016","90","","2770","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 N O3 Si -","- C30 H33 N O3 Si -","- C120 H132 N4 O12 Si4 -","4","2","","Cristóbal de los Ríos; Louis S. Hegedus","","Journal of Organic Chemistry","2005","70","","6541","6543","10.1021/jo050813b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020447","7.2232","0.0008","7.5093","0.0009","7.8888","0.0009","107.757","0.002","103.321","0.002","115.075","0.002","335.49","0.07","150","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C12 H12 N4 O6 -","2","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:47",""
"4020448","8.714","0.001","25.943","0.003","11.641","0.002","90","","90.931","0.002","90","","2631.3","0.6","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","- C120 H128 N8 O24 -","4","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020449","7.972","0.001","8.15","0.001","12.401","0.002","85.164","0.004","88.471","0.004","71.878","0.004","763.02","0.18","150","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O8 -","- C14 H18 N2 O8 -","- C28 H36 N4 O16 -","2","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020450","11.937","0.002","7.5972","0.0009","16.739","0.002","90","","110.521","0.005","90","","1421.7","0.3","110","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H35 N3 O5 S -","- C32 H35 N3 O5 S -","- C64 H70 N6 O10 S2 -","2","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020451","8.976","0.003","8.976","0.003","17.269","0.005","90","","90","","120","","1204.9","0.7","150","2","","","","","","","","","","4","P 31","P 31","144","","","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C51 H48 N6 O18 -","3","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020452","15.0599","0.001","13.7053","0.001","10.3642","0.0009","90","","94.456","0.002","90","","2132.7","0.3","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C96 H104 N8 O24 -","4","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020453","10.421","0.003","22.846","0.005","11.407","0.003","90","","114.904","0.004","90","","2463.2","1.1","150","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C108 H128 N8 O24 -","4","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020454","12.689","0.002","16.874","0.002","26.23","0.004","90","","90","","90","","5616.2","1.4","150","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 N2 O7 -","- C29 H36 N2 O7 -","- C232 H288 N16 O56 -","8","2","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020455","11.0652","0.0013","14.1943","0.0019","13.049","0.002","90","","113.227","0.011","90","","1883.4","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C84 H84 N4 O28 -","4","1","","Xiangshu Xiao; Mark Cushman","","Journal of Organic Chemistry","2005","70","","6496","6498","10.1021/jo050831t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020456","9.0715","0.0003","12.551","0.0005","17.8175","0.0007","90","","90","","90","","2028.64","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C72 H132 N4 O16 -","4","1","","Esa T. T. Kumpulainen; Juho Helaja; Jari Koivisto; Ari M. P. Koskinen; Heidi Mansikkamäki; Kari Rissanen","","Journal of Organic Chemistry","2005","70","","6447","6453","10.1021/jo050838a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020457","6.325","0.0007","10.4854","0.0016","24.049","0.004","90","","90","","90","","1594.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C56 H100 N4 O16 -","4","1","","Esa T. T. Kumpulainen; Juho Helaja; Jari Koivisto; Ari M. P. Koskinen; Heidi Mansikkamäki; Kari Rissanen","","Journal of Organic Chemistry","2005","70","","6447","6453","10.1021/jo050838a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020458","11.466","0.002","13.3","0.003","12.444","0.003","90","","90.18","0.03","90","","1897.7","0.7","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C44 H52 O8 -","- C44 H52 O8 -","- C88 H104 O16 -","2","1","","Carmen Mateo; Concepción Pérez-Melero; Rafael Peláez; Manuel Medarde","","Journal of Organic Chemistry","2005","70","","6544","6547","10.1021/jo0508393","","","","","","","0.0629","","","0.1663","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020459","16.8495","0.001","4.0353","0.0003","14.816","0.0009","90","","94.338","0.007","90","","1004.5","0.11","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H7 Br2 N O2 -","- C9 H7 Br2 N O2 -","- C36 H28 Br8 N4 O8 -","4","1","","J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling","","Journal of Organic Chemistry","2005","70","","6398","6403","10.1021/jo050846r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020460","8.9454","0.0001","10.6027","0.0002","22.6236","0.0003","90","","90","","90","","2145.74","0.05","213","2","213","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H12 Br4 O8 -","- C19.995 H12 Br4 O7.995 -","- C79.98 H48 Br16 O31.98 -","4","1","","J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling","","Journal of Organic Chemistry","2005","70","","6398","6403","10.1021/jo050846r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020461","38.2555","0.001","4.6699","0.0001","14.6279","0.0004","90","","94.597","0.002","90","","2604.86","0.11","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br2 N2 O5 -","- C10 H10 Br2 N2 O5 -","- C80 H80 Br16 N16 O40 -","8","1","","J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling","","Journal of Organic Chemistry","2005","70","","6398","6403","10.1021/jo050846r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020462","17.7013","0.0007","6.9932","0.0003","16.8375","0.0006","90","","118.152","0.001","90","","1837.7","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F3 N3 -","- C9 H10 F3 N3 -","- C72 H80 F24 N24 -","8","2","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020463","7.4427","0.0001","14.1667","0.0002","16.6939","0.0003","90","","90","","90","","1760.18","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 F3 N3 -","- C21 H18 F3 N3 -","- C84 H72 F12 N12 -","4","1","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020464","5.3233","0.0002","13.1981","0.0005","14.7664","0.0006","90","","96.62","0.02","90","","1030.53","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 F2 N3 O -","- C10 H13 F2 N3 O -","- C40 H52 F8 N12 O4 -","4","1","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020465","8.7228","0.0003","18.3386","0.0007","7.2367","0.0003","90","","99.587","0.002","90","","1141.44","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 F2 N3 O -","- C11 H15 F2 N3 O -","- C44 H60 F8 N12 O4 -","4","1","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020466","13.5798","0.0018","14.1602","0.0019","17.503","0.002","91.381","0.002","94.924","0.002","98.849","0.002","3311","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H22 N4 O3 -","- C15 H22 N4 O3 -","- C120 H176 N32 O24 -","8","4","","Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan","","Journal of Organic Chemistry","2005","70","","6461","6467","10.1021/jo0508705","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020467","6.467","0.004","13.91","0.008","16.488","0.01","90.717","0.011","91.918","0.011","95.011","0.011","1476.6","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H42 N4 O3 -","- C31 H42 N4 O3 -","- C62 H84 N8 O6 -","2","1","","Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan","","Journal of Organic Chemistry","2005","70","","6461","6467","10.1021/jo0508705","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020468","23.675","0.003","18.479","0.003","30.427","0.004","90","","100.69","0.003","90","","13081","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N4 O3 -","- C23 H26 N4 O3 -","- C552 H624 N96 O72 -","24","6","","Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan","","Journal of Organic Chemistry","2005","70","","6461","6467","10.1021/jo0508705","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020469","12.065","0.009","13.786","0.01","14.428","0.01","98.58","0.03","108.43","0.02","100.28","0.02","2185","3","406","2","406","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N4 O5 -","- C21 H24 N4 O5 -","- C84 H96 N16 O20 -","4","2","","Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan","","Journal of Organic Chemistry","2005","70","","6461","6467","10.1021/jo0508705","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020470","11.1268","0.0011","11.8072","0.0012","13.0058","0.0013","112.48","0.002","108.985","0.002","97.156","0.002","1431","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 I O4 -","- C14 H13 I O4 -","- C56 H52 I4 O16 -","4","2","","Shengming Ma; Lianghua Lu","An Efficient Stereoselective Synthesis of 4,5-trans-1,5-cis-3-Oxabicyclo[3.1.0]hexan-2-ones via the Iodolactonization of Alkylidenecyclopropyl Esters","Journal of Organic Chemistry","2005","70","","7629","7633","10.1021/jo050878e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020471","12.1972","0.0014","8.5235","0.001","15.2518","0.0018","90","","96.356","0.002","90","","1575.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 I O4 Si -","- C12 H19 I O4 Si -","- C48 H76 I4 O16 Si4 -","4","1","","Shengming Ma; Lianghua Lu","An Efficient Stereoselective Synthesis of 4,5-trans-1,5-cis-3-Oxabicyclo[3.1.0]hexan-2-ones via the Iodolactonization of Alkylidenecyclopropyl Esters","Journal of Organic Chemistry","2005","70","","7629","7633","10.1021/jo050878e","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020472","9.1492","0.0004","10.8893","0.0004","13.6216","0.0006","69.105","0.003","79.378","0.003","71.933","0.003","1201.18","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N2 O6 -","- C25 H32 N2 O6 -","- C50 H64 N4 O12 -","2","1","","Albert Padwa; Scott K. Bur; Hongjun Zhang","Sequential Aminodiene Diels-Alder Approach to the Ergoline Skeleton","Journal of Organic Chemistry","2005","70","","6833","6841","10.1021/jo0508797","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020473","9.2284","0.0016","8.5326","0.0014","10.1189","0.0016","90","","116.292","0.004","90","","714.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Chad D. Hopkins; Lisa Guan; Helena C. Malinakova","Regiocontrolled, Palladium-Catylized Bisfuntionalization of Allenyl Esters. Multi-Component Coupling Approaches to Highly Substituted α,β-Unsaturated δ-Lactones","Journal of Organic Chemistry","2005","70","","6848","6862","10.1021/jo050886v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020474","10.1647","0.0003","10.1944","0.0003","67.375","0.002","90","","90","","90","","6981.6","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O8 -","- C23.3333 H28.3333 O8.83333 -","- C280 H340 O106 -","12","3","","Chaomin Li; John A. Porco, Jr.","Synthesis and NF-kB Inhibition of the Anti-Angiogenesis Agent(+) -Epoxyquinol A and Related Molecules","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020475","8.256","0.006","7.118","0.005","14.087","0.011","90","","96.259","0.019","90","","823","1","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","1","","Chaomin Li; John A. Porco, Jr.","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020476","8.007","0.0016","10.307","0.002","41.274","0.008","90","","90","","90","","3406.4","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 Br2 O11 -","- C38 H26 Br2 O11 -","- C152 H104 Br8 O44 -","4","1","","Chaomin Li; John A. Porco, Jr.","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020477","14.3118","0.0012","7.8572","0.0007","14.4216","0.0012","90","","114.959","0.002","90","","1470.3","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H33 Cl3 O8 Si -","- C27 H33 Cl3 O8 Si -","- C54 H66 Cl6 O16 Si2 -","2","1","","Chaomin Li; John A. Porco, Jr.","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020478","10.216","0.002","11.299","0.002","19.715","0.004","90","","90","","90","","2275.7","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 O7 -","- C27 H26 O7 -","- C108 H104 O28 -","4","1","","Chaomin Li; John A. Porco, Jr.","","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020479","11.609","0.002","14.989","0.003","7.186","0.0014","90","","93.828","0.004","90","","1247.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 O2 P -","- C13 H19 O2 P -","- C52 H76 O8 P4 -","4","1","","Susana López-Cortina; Danute I. Basiulis; Kenneth L. Marsi; Miguel Angel Muñoz-Hernández; Mario Ordoñez; Mario Fernández-Zertuche","Synthesis of New 1,3-Oxaphosphorinanium Salts. Stereochemistry of Hydroxide-Induced Displacement of Methoxide Ion","Journal of Organic Chemistry","2005","70","","7473","7478","10.1021/jo050901w","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020480","14.698","0.002","11.72","0.001","7.3105","0.0007","90","","97.916","0.009","90","","1247.3","0.2","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O5 -","- C14 H12 O5 -","- C56 H48 O20 -","4","1","","Mingjin Fan; Zeyi Yan; Weimin Liu; Yongmin Liang","DABCO-Catalyzed Reaction of α-Halo Carbonyl Compounds with Dimethyl Acetylenedicarboxylate: A Novel Method for the Preparation of Polysubstituted Furans and Highly Functionalized 2H-Pyrans","Journal of Organic Chemistry","2005","70","","8204","8207","10.1021/jo050903g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020481","7.468","0.002","19.811","0.005","14.249","0.004","90","","96.801","0.004","90","","2093.2","1","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O6 -","- C24 H22 O6 -","- C96 H88 O24 -","4","1","","Mingjin Fan; Zeyi Yan; Weimin Liu; Yongmin Liang","DABCO-Catalyzed Reaction of α-Halo Carbonyl Compounds with Dimethyl Acetylenedicarboxylate: A Novel Method for the Preparation of Polysubstituted Furans and Highly Functionalized 2H-Pyrans","Journal of Organic Chemistry","2005","70","","8204","8207","10.1021/jo050903g","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020482","5.7312","0.0003","8.9039","0.0005","37.933","0.002","90","","90","","90","","1935.74","0.19","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N3 -","- C25 H21 N3 -","- C100 H84 N12 -","4","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020483","10.0747","0.0012","14.7392","0.0018","10.136","0.0012","90","","97.14","0.003","90","","1493.5","0.3","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020484","13.7371","0.0007","8.9665","0.0005","32.7695","0.0017","90","","99.261","0.001","90","","3983.7","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18.5 Cl2 N3.5 Zn -","- C19 H18.5 Cl2 N3.5 Zn -","- C152 H148 Cl16 N28 Zn8 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020485","8.9367","0.0007","5.8108","0.0004","19.5331","0.0015","90","","92.8","0.002","90","","1013.13","0.13","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H23 N -","- C27 H23 N -","- C54 H46 N2 -","2","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020486","12.8987","0.0009","15.5092","0.001","13.2871","0.0009","90","","115.029","0.003","90","","2408.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 N2 O5 S -","- C27 H26 N2 O5 S -","- C108 H104 N8 O20 S4 -","4","2","","Cody Timmons; Li Guo; Junying Liu; John F. Cannon; Guigen Li","Asymmetric Halo-Mannich-Type Reaction Provides Access to Pyrrolidines and -Proline Derivatives","Journal of Organic Chemistry","2005","70","","7634","7639","10.1021/jo0509051","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020487","17.118","0.003","12.253","0.003","10.721","0.002","90","","105.56","0.03","90","","2166.4","0.7","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Robin A. Weatherhead-Kloster; Hugh D. Selby; Walter B. Miller III; Eugene A. Mash","Organic Crystal Engineering with 1,4-Piperazine-2,5-diones. 6. Studies of the Hydrogen-Bond Association of Cyclo[(2-methylamino-4,7-dimethoxyindan-2-carboxylic acid) (2-amino-4,7-dimethoxyindan-2-carboxylic acid)]","Journal of Organic Chemistry","2005","70","","8693","8702","10.1021/jo0509096","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020488","9.5534","0.0016","12.199","0.002","19.099","0.003","90","","91.436","0.004","90","","2225.2","0.6","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Robin A. Weatherhead-Kloster; Hugh D. Selby; Walter B. Miller III; Eugene A. Mash","Organic Crystal Engineering with 1,4-Piperazine-2,5-diones. 6. Studies of the Hydrogen-Bond Association of Cyclo[(2-methylamino-4,7-dimethoxyindan-2-carboxylic acid) (2-amino-4,7-dimethoxyindan-2-carboxylic acid)]","Journal of Organic Chemistry","2005","70","","8693","8702","10.1021/jo0509096","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020489","20.49","0.01","21.137","0.006","11.439","0.003","90","","90","","90","","4953","3","298.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H27 O P -","- C30 H27 O P -","- C240 H216 O8 P8 -","8","1","","Kimihiro Komeyama; Tomonori Kawabata; Katsuomi Takehira; Ken Takaki","Rare-Earth Silylamide-Catalyzed Selective Dimerization of Terminal Alkynes and Subsequent Hydrophosphination in One Pot","Journal of Organic Chemistry","2005","70","","7260","7266","10.1021/jo0509206","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020490","9.6976","0.0019","10.401","0.002","14.886","0.003","74.6","0.03","85.88","0.03","80.69","0.03","1427.8","0.5","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H46 O7 -","- C30 H46 O7 -","- C60 H92 O14 -","2","2","","Tony K. M. Shing; Gulice Y. C. Leung; To Luk","Arabinose-Derived Ketones as Catalysts for Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","7279","7289","10.1021/jo050928f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020491","9.5506","0.0019","13.846","0.003","20.022","0.004","90","","90","","90","","2647.6","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O7 -","- C30 H32 O7 -","- C120 H128 O28 -","4","1","","Tony K. M. Shing; Gulice Y. C. Leung; To Luk","Arabinose-Derived Ketones as Catalysts for Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","7279","7289","10.1021/jo050928f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020492","18.322","0.012","8.456","0.005","16.45","0.01","90","","114.74","0.02","90","","2314.7","2.5","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","diaF4-(15R,17S)","","","- C28 H36 N2 -","- C28 H36 N2 -","- C112 H144 N8 -","4","1","","Karine Jakubowicz; Yung-Sing Wong; Angèle Chiaroni; Michel Bénéchie; Christian Marazano","New Polycyclic Diamine Scaffolds from Dimerization of 3-Alkyl-1,4-dihydropyridines in Acidic Medium","Journal of Organic Chemistry","2005","70","","7780","7783","10.1021/jo050937o","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020493","12.066","0.006","16.939","0.008","12.505","0.006","90","","115.22","0.02","90","","2312.2","1.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","diaF3-(15R,17R)","","","- C28 H36 N2 -","- C28 H36 N2 -","- C112 H144 N8 -","4","1","","Karine Jakubowicz; Yung-Sing Wong; Angèle Chiaroni; Michel Bénéchie; Christian Marazano","New Polycyclic Diamine Scaffolds from Dimerization of 3-Alkyl-1,4-dihydropyridines in Acidic Medium","Journal of Organic Chemistry","2005","70","","7780","7783","10.1021/jo050937o","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020494","9.3064","0.0002","31.7893","0.0006","16.7359","0.0004","90","","96.432","0.001","90","","4920.05","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 N10 O8 -","- C46 H62 N10 O8 -","- C184 H248 N40 O32 -","4","1","","Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel","","Journal of Organic Chemistry","2005","70","","6499","6502","10.1021/jo050938g","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020495","9.31","0.0006","13.8731","0.0003","17.3108","0.0012","106.925","0.003","101.196","0.003","96.105","0.003","2066.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H52 N8 O8 -","- C41 H52 N8 O8 -","- C82 H104 N16 O16 -","2","1","","Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel","","Journal of Organic Chemistry","2005","70","","6499","6502","10.1021/jo050938g","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020496","12.7343","0.0001","23.3747","0.0003","19.9727","0.0003","90","","94.989","0.001","90","","5922.56","0.13","120","1","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 N12 O12 -","- C54 H84 N12 O12 -","- C216 H336 N48 O48 -","4","1","","Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel","","Journal of Organic Chemistry","2005","70","","6499","6502","10.1021/jo050938g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020497","11.0669","0.0017","13.257","0.002","22.029","0.003","90","","90","","90","","3232.1","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 N2 O3 -","- C38 H44 N2 O3 -","- C152 H176 N8 O12 -","4","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado","Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones","Journal of Organic Chemistry","2005","70","","7273","7278","10.1021/jo0509509","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020498","5.6118","0.0019","16.53","0.006","9.846","0.003","90","","98.642","0.006","90","","903","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C44 H42 N2 O6 -","2","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado","Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones","Journal of Organic Chemistry","2005","70","","7273","7278","10.1021/jo0509509","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020499","13.18","0.03","16.3","0.04","8.618","0.019","90","","90","","90","","1852","7","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado","Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones","Journal of Organic Chemistry","2005","70","","7273","7278","10.1021/jo0509509","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020500","23.604","0.004","23.604","0.004","13.515","0.003","90","","90","","90","","7530","2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C10 H15 Cl O -","- C10 H15 Cl O -","- C320 H480 Cl32 O32 -","32","2","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020501","32.987","0.007","6.8136","0.0013","22.424","0.005","90","","111.084","0.016","90","","4702.6","1.7","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 O4 S -","- C11 H18 O4 S -","- C176 H288 O64 S16 -","16","2","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020502","12.1189","0.0013","14.4813","0.0015","15.04","0.0016","80.519","0.009","78.775","0.009","67.896","0.008","2386.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 O4 S -","- C11 H18 O4 S -","- C88 H144 O32 S8 -","8","4","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020503","8.355","0.002","11.4931","0.0012","10.8936","0.0013","90","","90.204","0.015","90","","1046.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020504","24.277","0.005","10.13","0.002","9.365","0.002","90","","105.93","0.03","90","","2214.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 O3 S -","- C11 H18 O3 S -","- C88 H144 O24 S8 -","8","1","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020505","24.44","0.005","9.935","0.002","9.545","0.002","90","","107.67","0.03","90","","2208.3","0.9","283","2","283","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","jr08","","","- C11 H18 O3 S -","- C11 H18 O3 S -","- C88 H144 O24 S8 -","8","1","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020506","13.2845","0.0006","7.8086","0.0004","15.4619","0.0007","90","","101.82","0.001","90","","1569.9","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 N O5 -","- C15 H17 Cl2 N O5 -","- C60 H68 Cl8 N4 O20 -","4","1","","Xiaoguang Lei; Nava Zaarur; Michael Y. Sherman; John A. Porco, Jr.","","Journal of Organic Chemistry","2005","70","","6474","6483","10.1021/jo050956y","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020507","7.2933","0.001","8.2345","0.0012","24.418","0.003","90","","90","","90","","1466.4","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C64 H60 N12 O20 -","4","1","","Xiaoguang Lei; Nava Zaarur; Michael Y. Sherman; John A. Porco, Jr.","","Journal of Organic Chemistry","2005","70","","6474","6483","10.1021/jo050956y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020508","9.4064","0.0008","11.4106","0.0008","12.0893","0.001","90","","97.524","0.007","90","","1286.4","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N O3 S -","- C14 H18 N O3 S -","- C56 H72 N4 O12 S4 -","4","1","","William J. Layman, Jr.; Thomas D. Greenwood; Aaron L. Downey; James F. Wolfe","Synthesis of 2H-1,2-Benzothiazine 1,1-Dioxides via Heteroannulation Reactions of 2-Iodobenzenesulfonamide with Ketone Enolates under S~RN1~ Conditions","Journal of Organic Chemistry","2005","70","","9147","9155","10.1021/jo050964e","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020509","17.464","0.0011","12.6256","0.0008","22.5394","0.0014","90","","90","","90","","4969.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Cl I O -","- C30 H22 Cl I O -","- C240 H176 Cl8 I8 O8 -","8","1","","Yuanhong Liu; Feijie Song; Liqing Cong","A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans","Journal of Organic Chemistry","2005","70","","6999","7002","10.1021/jo050966z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020510","14.7037","0.0016","16.0224","0.0018","20.793","0.002","90","","91.795","0.002","90","","4896.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl I O -","- C28 H26 Cl I O -","- C224 H208 Cl8 I8 O8 -","8","2","","Yuanhong Liu; Feijie Song; Liqing Cong","A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans","Journal of Organic Chemistry","2005","70","","6999","7002","10.1021/jo050966z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020511","9.1952","0.0011","6.1777","0.0008","15.0039","0.0018","90","","93.846","0.002","90","","850.38","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","C. V. Ramana; Burgula Srinivas; Vedavati G. Puranik; Mukund K. Gurjar","A Carbohydrate-Based Approach for the Total Synthesis of 1,3-Polyol/α-Pyrone Antifungal Natural Products","Journal of Organic Chemistry","2005","70","","8216","8219","10.1021/jo050972v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020512","10.1483","0.0002","10.726","0.0002","12.8232","0.0003","87.0184","0.0007","68.2598","0.0008","74.9384","0.0008","1250.5","","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H39 N O7 Si -","- C21 H39 N O7 Si -","- C42 H78 N2 O14 Si2 -","2","1","","Timothy J. Donohoe; Herman O. Sintim; Jackie Hollinshead","A Noncarbohydrate Based Approach to Polyhydroxylated Pyrrolidizines: Total Syntheses of the Natural Products Hyacinthacine A~1~ and 1-Epiaustraline","Journal of Organic Chemistry","2005","70","","7297","7304","10.1021/jo050977s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020513","7.9433","0.0004","11.9029","0.0006","14.884","0.0009","72.988","0.002","85.3368","0.0019","80.459","0.004","1326.3","","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H41 N O6 Si -","- C22 H41 N O6 Si -","- C44 H82 N2 O12 Si2 -","2","1","","Timothy J. Donohoe; Herman O. Sintim; Jackie Hollinshead","A Noncarbohydrate Based Approach to Polyhydroxylated Pyrrolidizines: Total Syntheses of the Natural Products Hyacinthacine A~1~ and 1-Epiaustraline","Journal of Organic Chemistry","2005","70","","7297","7304","10.1021/jo050977s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020514","9.164","0.002","13.079","0.004","34.4","0.009","90","","90","","90","","4122.8","1.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H28 O Si -","- C22 H28 O Si -","- C176 H224 O8 Si8 -","8","2","","Asunción Barbero; Yolanda Blanco; Francisco J. Pulido","Silylcuprates from Allene and Their Reaction with α,β-Unsaturated Nitriles and Imines. Synthesis of Silylated Oxo Compounds Leading to Cyclopentane and Cycloheptane Ring Formation","Journal of Organic Chemistry","2005","70","","6876","6883","10.1021/jo0509814","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020515","40.563","0.007","6.287","0.001","18.84","0.003","90","","93.912","0.005","90","","4793","1","100.4","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Cl N O2 -","- C24 H40 Cl N O2 -","- C192 H320 Cl8 N8 O16 -","8","1","","Caroline Roche; Katarína Kadlečíková; Amaël Veyron; Philippe Delair; Christian Philouze; Andrew E. Greene; David Flot; Manfred Burghammer","New Asymmetric Approach to Natural Pyrrolizidines: Synthesis of (+)-Amphorogynine A, (+)-Amphorogynine D, and (+)-Retronecine","Journal of Organic Chemistry","2005","70","","8352","8363","10.1021/jo050983o","","","","","","","","","","","","","","","","","","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4020516","27.38","0.05","8.847","0.012","22.82","0.04","90","","102.98","0.03","90","","5386.9","1.3","293.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H28 O2 -","- C35 H27 O2 -","- C280 H216 O16 -","8","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020517","11.85","0.001","17.988","0.002","12.921","0.002","90","","113.523","0.003","90","","2525.3","0.5","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 O2 -","- C35 H28 O2 -","- C140 H112 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020518","11.467","0.0005","14.7091","0.0007","15.4076","0.0007","90","","91.6973","0.0008","90","","2597.7","0.2","223.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 O2 -","- C35 H28 O2 -","- C140 H112 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020519","9.0873","0.0003","35.735","0.001","9.6538","0.0003","90","","105.671","0.001","90","","3018.4","0.2","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 O2 -","- C41 H34 O2 -","- C164 H136 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020520","9.7136","0.0007","12.0508","0.0002","12.8856","0.0002","107.365","0.002","104.062","0.002","97.428","0.002","1362.9","0.1","223.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H30 O -","- C37 H30 O -","- C74 H60 O2 -","2","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020521","12.74","0.004","13.449","0.01","14.248","0.004","90","","115.2","0.02","90","","2209.02","","288.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020522","15.503","0.005","8.505","0.002","16.954","0.003","90","","100.37","0.02","90","","2198.97","","288.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020523","8.6162","0.001","22.137","0.003","12.4884","0.0014","90","","93.563","0.002","90","","2377.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22.5 H12.5 O S5.5 -","- C21.5 H12.5 O S5.5 -","- C86 H50 O4 S22 -","4","1","","Yu-Long Zhao; Qun Liu; Jing-Ping Zhang; Zhi-Qiang Liu","Heteroatom-Substituted Expanded Radialenes: One-Pot Synthesis and Characterization of Expanded 1,3-Dithiolane[n]radialenes","Journal of Organic Chemistry","2005","70","","6913","6917","10.1021/jo050993p","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020524","6.58","0.005","19.219","0.015","12.656","0.01","90","","98.154","0.012","90","","1584","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 S -","- C17 H20 O4 S -","- C68 H80 O16 S4 -","4","1","","Yu-Rong Yang; Wei-Dong Z. Li","A Short Synthesis of 10-Hydroxy 7-Spirocyclopropanated Camphor","Journal of Organic Chemistry","2005","70","","8224","8227","10.1021/jo0509962","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020525","9.499","0.002","10.891","0.002","11.067","0.002","109.873","0.006","112.697","0.007","100.841","0.012","923.7","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 Cl2 O6 -","- C20 H14 Cl2 O6 -","- C40 H28 Cl4 O12 -","2","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020526","9.38","0.002","9.968","0.002","11.335","0.003","87.201","0.008","81.854","0.009","80.257","0.007","1033.7","0.4","105","","105","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 Cl2 O4 -","- C23 H22 Cl2 O4 -","- C46 H44 Cl4 O8 -","2","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020527","10.061","0.002","13.094","0.002","15.974","0.003","90","","96.235","0.009","90","","2091.9","0.7","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl2 O5 -","- C23 H22 Cl2 O5 -","- C92 H88 Cl8 O20 -","4","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020528","10.553","0.004","14.93","0.006","8.221","0.003","90","","96.27","0.02","90","","1287.5","0.9","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl O3 -","- C15 H13 Cl O3 -","- C60 H52 Cl4 O12 -","4","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020529","7.722","0.004","7.949","0.003","7.405","0.003","90","","91.783","0.017","90","","454.3","0.3","105","","105","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H8 Br Cl O2 -","- C8 H8 Br Cl O2 -","- C16 H16 Br2 Cl2 O4 -","2","0.5","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020530","8.4475","0.001","11.312","0.002","21.111","0.004","93.876","0.006","98.152","0.006","107.681","0.006","1889.5","0.5","105","","105","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O5 -","- C23 H24 O5 -","- C92 H96 O20 -","4","2","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020531","9.871","0.002","13.157","0.003","19.747","0.006","82.266","0.012","77.781","0.013","71.274","0.015","2367.7","1","110","","110","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H28 O5 -","- C29 H28 O5 -","- C116 H112 O20 -","4","2","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020532","8.314","0.002","18.175","0.005","14.129","0.004","90","","91.634","0.011","90","","2134.1","1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O7 -","- C23 H23 N O7 -","- C92 H92 N4 O28 -","4","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020533","24.683","0.003","6.5797","0.001","18.174","0.002","90","","109.077","0.008","90","","2789.5","0.6","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C112 H152 B8 O32 -","8","2","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020534","11.72","0.004","10.93","0.004","19.726","0.01","90","","90.018","0.013","90","","2526.9","1.8","105","","105","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 O6 -","- C31 H32 O6 -","- C124 H128 O24 -","4","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020535","6.992","0.002","7.916","0.002","7.998","0.002","94.751","0.01","94.535","0.01","96.537","0.014","436.5","0.2","105","","105","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 B O4 -","- C8 H11 B O4 -","- C16 H22 B2 O8 -","2","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020536","19.7076","0.0011","14.2272","0.0008","23.536","0.0013","90","","90","","90","","6599.1","0.6","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C56 H68 I4 O24 -","- C56 H68 I4 O24 -","- C224 H272 I16 O96 -","4","1","","Viktor V. Zhdankin; Alexey Y. Koposov; Dmitry N. Litvinov; Michael J. Ferguson; Robert McDonald; Thanh Luu; Rik R. Tykwinski","Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine oxidizing reagents with a pseudobenziodoxole structure","Journal of Organic Chemistry","2005","70","","6484","6491","10.1021/jo051010r","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020537","8.0018","0.0003","8.7268","0.0004","11.845","0.0005","91.4834","0.0007","107.912","0.0007","114.697","0.0007","703.56","0.05","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 I O7 -","- C12 H13 I O7 -","- C24 H26 I2 O14 -","2","1","","Viktor V. Zhdankin; Alexey Y. Koposov; Dmitry N. Litvinov; Michael J. Ferguson; Robert McDonald; Thanh Luu; Rik R. Tykwinski","Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine oxidizing reagents with a pseudobenziodoxole structure","Journal of Organic Chemistry","2005","70","","6484","6491","10.1021/jo051010r","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020538","7.11","0.004","10.412","0.008","9.457","0.006","90","","110.29","0.05","90","","656.6","0.7","140","1","140","1","","","","","","","","5","P 1 21 1","P 2yb","4","Compound 11","","","- C11 H15 N O4 S -","- C11 H14 N O4 S -","- C22 H28 N2 O8 S2 -","2","1","","Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field","Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II","Journal of Organic Chemistry","2005","70","","8556","8559","10.1021/jo051012b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020539","13.754","0.004","8.069","0.002","8.041","0.0019","90","","99.81","0.02","90","","879.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound 14","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C36 H42 N2 O8 S2 -","2","1","","Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field","Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II","Journal of Organic Chemistry","2005","70","","8556","8559","10.1021/jo051012b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020540","11.567","0.001","13.101","0.001","13.604","0.002","90","","90","","90","","2061.6","0.4","273.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F3 N O2 -","- C23 H26 F3 N O2 -","- C92 H104 F12 N4 O8 -","4","1","","Hillary M. Peltier; Jonathan A. Ellman","N-Sulfinyl Metalloenamine Conjugate Additions: Asymmetric Synthesis of Piperidines","Journal of Organic Chemistry","2005","70","","7342","7345","10.1021/jo051020s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020541","9.365","0.0002","10.6994","0.0002","13.7621","0.0002","90","","90","","90","","1378.96","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-2-anisyl(t-butyl)methylphosphpine-borane","","","- C12 H22 B O P -","- C12 H22 B O P -","- C48 H88 B4 O4 P4 -","4","1","","Yukitoshi Takahashi; Yoshikazu Yamamoto; Kosuke Katagiri; Hiroshi Danjo; Kentaro Yamaguchi; Tsuneo Imamoto","P-Chiral o-Phosphinophenol as a P/O Hybrid Ligand: Preparation and Use in Cu-Catalyzed Asymmetric Conjugate Addition of Diethylzinc to Acyclic Enones","Journal of Organic Chemistry","2005","70","","9009","9012","10.1021/jo051034y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020542","5.9478","0.0012","8.3754","0.0017","17.855","0.004","90","","97.62","0.03","90","","881.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 O2 S -","- C19 H28 O2 S -","- C38 H56 O4 S2 -","2","1","","Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk","Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid","Journal of Organic Chemistry","2005","70","","7985","7995","10.1021/jo051062g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020543","7.68","","25.48","","42.46","","90","","90","","90","","8308.8","","293","2","293","2","","","","","","","","5","C 2 c b","C -2ac 2","41","","","","- C22 H23 N O6 S -","- C22 H23 N O6 S -","- C352 H368 N16 O96 S16 -","16","","","Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk","Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid","Journal of Organic Chemistry","2005","70","","7985","7995","10.1021/jo051062g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020544","11.565","0.002","19.428","0.004","22.298","0.005","90","","90","","90","","5010.2","1.7","293","2","293","2","","","","","","","","5","P b 21 a","P -2a -2ab","29","","","","- C25 H32 O4 S Si -","- C25 H32 O4 S Si -","- C200 H256 O32 S8 Si8 -","8","2","","Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk","Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid","Journal of Organic Chemistry","2005","70","","7985","7995","10.1021/jo051062g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020545","7.501","0.009","18.09","0.02","14.922","0.016","90","","101.72","0.01","90","","1983","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Br2 O2 -","- C20 H28 Br2 O2 -","- C80 H112 Br8 O8 -","4","1","","Sujaya Sengupta; Michael G. B. Drew; Ranjan Mukhopadhyay; Basudeb Achari; Asish Kr. Banerjee","Stereoselective Syntheses of (±)-Komaroviquinone and (±)-Faveline Methyl Ether through Intramolecular Heck Reaction","Journal of Organic Chemistry","2005","70","","7694","7700","10.1021/jo051082i","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020546","14.229","0.017","10.299","0.012","22.84","0.02","90","","103.564","0.01","90.01","","3253","6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C144 H192 O24 -","8","2","","Sujaya Sengupta; Michael G. B. Drew; Ranjan Mukhopadhyay; Basudeb Achari; Asish Kr. Banerjee","Stereoselective Syntheses of (±)-Komaroviquinone and (±)-Faveline Methyl Ether through Intramolecular Heck Reaction","Journal of Organic Chemistry","2005","70","","7694","7700","10.1021/jo051082i","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020547","7.339","0.002","8.269","0.003","21.022","0.005","90","","90","","90","","1275.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020548","5.018","0.0004","18.2276","0.0017","20.8563","0.0019","90","","90","","90","","1907.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020549","29.185","0.019","5.098","0.004","12.366","0.009","90","","90.209","0.016","90","","1840","2","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020550","11.8865","0.0012","11.8865","0.0012","26.52","0.005","90","","90","","120","","3245","0.8","193","2","193","2","","","","","","","","4","P 65","P 65","170","","","","- C19 H32 N2 O5 -","- C19 H32 N2 O5 -","- C114 H192 N12 O30 -","6","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020551","5.137","0.008","9.703","0.003","22.133","0.008","90","","90.55","0.07","90","","1103.2","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O5 -","- C22 H30 N2 O5 -","- C44 H60 N4 O10 -","2","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020552","5.198","0.004","16.182","0.01","21.494","0.013","90","","90","","90","","1808","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N O8 -","- C15 H25 N O8 -","- C60 H100 N4 O32 -","4","1","","Juhienah K. Khalaf; Apurba Datta","Stereoselective Route to the Ezoaminuroic Acid Core of the Ezomycins","Journal of Organic Chemistry","2005","70","","6937","6940","10.1021/jo051086n","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020553","6.8961","0.0004","14.1021","0.0008","20.3417","0.0014","90","","90","","90","","1978.2","0.2","203","2","203","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C72 H96 N16 O32 -","8","1","","Stefan Spange; Katja Hofmann; Bernhard Walfort; Tobias Rüffer; Heinrich Lang","Chiral 1,2- and 1,3-Diol-Functionalized Chromophores as Lego Building Blocks for Coupled Structures","Journal of Organic Chemistry","2005","70","","8564","8567","10.1021/jo051097g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020554","16.1527","0.0008","10.0182","0.0005","13.8856","0.0007","90","","103.591","0.001","90","","2184.06","0.19","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 F12 N5 P2 S2 -","- C12 H17 F12 N5 P2 S2 -","- C48 H68 F48 N20 P8 S8 -","4","1","","Rosalice M. Silva; Mark D. Smith; James R. Gardinier","Unexpected New Chemistry of the Bis(thioimidazolyl)methanes","Journal of Organic Chemistry","2005","70","","8755","8763","10.1021/jo051101o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020555","13.5218","0.001","36.256","0.003","4.4236","0.0003","90","","90","","90","","2168.6","0.3","150","1","150","1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H12 N4 S2 -","- C9 H12 N4 S2 -","- C72 H96 N32 S16 -","8","0.5","","Rosalice M. Silva; Mark D. Smith; James R. Gardinier","Unexpected New Chemistry of the Bis(thioimidazolyl)methanes","Journal of Organic Chemistry","2005","70","","8755","8763","10.1021/jo051101o","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020556","11.091","0.007","8.924","0.005","19.781","0.012","90","","101.359","0.011","90","","1919.4","1.9","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller","Ene-diamine versus Imine-amine Isomeric Preferences","Journal of Organic Chemistry","2005","70","","8409","8416","10.1021/jo051102g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020557","16.5867","0.0017","44.319","0.006","5.7826","0.0006","90","","90","","90","","4250.8","0.8","110","2","110","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C224 H208 N16 -","8","0.5","","B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller","Ene-diamine versus Imine-amine Isomeric Preferences","Journal of Organic Chemistry","2005","70","","8409","8416","10.1021/jo051102g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020558","9.708","0.002","15.97","0.004","11.254","0.003","90","","115.496","0.003","90","","1574.9","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller","Ene-diamine versus Imine-amine Isomeric Preferences","Journal of Organic Chemistry","2005","70","","8409","8416","10.1021/jo051102g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020559","8.3751","0.0008","17.175","0.002","10.4335","0.0011","90","","116.652","0.004","90","","1341.3","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 N3 O4 -","- C33 H31 N3 O4 -","- C66 H62 N6 O8 -","2","1","","Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin","High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.","Journal of Organic Chemistry","2005","70","","8424","8430","10.1021/jo051105t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020560","11.737","0.001","13.948","0.001","34.381","0.003","90","","90","","90","","5628.4","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H63 N6 O8.5 -","- C66 H62 N6 O8.5 -","- C264 H248 N24 O34 -","4","1","","Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin","High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.","Journal of Organic Chemistry","2005","70","","8424","8430","10.1021/jo051105t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020561","10.275","0.0006","16.361","0.001","17.474","0.001","90","","90","","90","","2937.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 N3 O4 -","- C36 H35 N3 O4 -","- C144 H140 N12 O16 -","4","1","","Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin","High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.","Journal of Organic Chemistry","2005","70","","8424","8430","10.1021/jo051105t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020562","16.4847","0.0017","9.8989","0.001","17.918","0.0018","90","","104.615","0.002","90","","2829.3","0.5","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020563","14.9761","0.0003","19.5973","0.0004","9.6556","0.0002","90","","92.512","0.001","90","","2831.11","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C120 H104 Cl8 N16 O8 -","8","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020564","19.956","0.003","19.956","0.003","6.9569","0.001","90","","90","","90","","2770.6","0.7","203","2","203","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","1","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020565","5.6345","0.0004","8.6257","0.0006","14.7361","0.0009","96.644","0.002","91.487","0.002","93.364","0.001","709.77","0.08","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020566","10.463","0.0002","10.5394","0.0002","12.3151","0.0002","77.202","0.001","84.676","0.001","89.33","0.001","1318.53","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020567","19.1888","0.0003","10.3555","0.0002","13.0681","0.0001","90","","90","","90","","2596.76","0.07","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020568","5.519","0.0008","19.713","0.004","16.914","0.002","90","","98.725","0.007","90","","1818.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020569","10.014","0.008","8.875","0.007","12.341","0.009","90","","90.569","0.013","90","","1096.8","1.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","jrc1281m","","","- C24 H22 F N O5 -","- C24 H22 F N O5 -","- C48 H44 F2 N2 O10 -","2","1","","Lushi Tan; Nobuyoshi Yasuda; Naoki Yoshikawa; Frederick W. Hartner; Kan Kaung Eng; William R. Leonard; Fuh-Rong Tsay; Ralph P. Volante; Richard D. Tillyer","Stereoselective Syntheses of Highly Functionalized Bicyclo[3.1.0]hexanes: A General Methodology for the Synthesis of Potent and Selective mGluR2/3 Agonists","Journal of Organic Chemistry","2005","70","","8027","8034","10.1021/jo0511187","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020570","9.873","0.002","13.001","0.003","15.53","0.003","73.36","0.03","72.13","0.03","85.9","0.03","1817.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H30 Ag N3 O2 -","- C49.5 H30 Ag N3 O1.5 -","- C99 H60 Ag2 N6 O3 -","2","1","","Miłosz Pawlicki; Lechosław Latos-Grżyński","O-Confused Oxaporphyrin-An Intermediate in Formation of 3-Substituted 2-Oxa-21-Carbaporphyrins","Journal of Organic Chemistry","2005","70","","9123","9130","10.1021/jo051141s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020571","13.948","0.005","11.955","0.005","14.073","0.006","90","","95.826","0.009","90","","2334.5","1.6","295","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N O6 S -","- C22 H33 N O6 S -","- C88 H132 N4 O24 S4 -","4","2","","Indrajit Das; Tanmaya Pathak; Cheravakkattu G. Suresh","A Diastereoselective and General Route to 5-Amino-5-deoxysugars: Influence of C-3 Substitution on the Addition of Amines to C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates","Journal of Organic Chemistry","2005","70","","8047","8054","10.1021/jo051143c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020572","5.2721","0.0013","12.916","0.003","23.515","0.006","90","","90","","90","","1601.3","0.7","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Compound 14a","","","- C18 H14 Br Cl F N O -","- C18 H14 Br Cl F N O -","- C72 H56 Br4 Cl4 F4 N4 O4 -","4","1","","Michael C. Hillier; Jean-François Marcoux; Dalian Zhao; Edward J. J. Grabowski; Arlene E. McKeown; Richard D. Tillyer","Stereoselective Formation of Carbon-Carbon Bonds via S~N2~-Displacement: Synthesis of Substituted Cycloalkyl[b]indoles","Journal of Organic Chemistry","2005","70","","8385","8394","10.1021/jo051146p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020573","9.932","0.002","12.608","0.004","8.663","0.002","90","","90","","90","","1084.8","0.5","110","","110","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H13 N O3 S -","- C10 H13 N O3 S -","- C40 H52 N4 O12 S4 -","4","1","","Ron W. Darbeau; Noe T. Alvarez; Gregory A. Trahan; Frank R. Fronczek","Investigating the Reaction of N-Carbobenzoxy-O-carbobenzoxy- hydroxylamine with Dimethyl Sulfoxide: Formation of S,S-Dimethyl-N-[(phenylmethoxy)- carbonyl]sulfoximine.","Journal of Organic Chemistry","2005","70","","9599","9602","10.1021/jo051158a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020574","5.9101","0.0004","14.4928","0.0014","17.659","0.002","90","","90","","90","","1512.6","0.2","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Romain Noël; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Synthesis of New Chiral 6-Carbonyl 2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridines","Journal of Organic Chemistry","2005","70","","9044","9047","10.1021/jo051192p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020575","6.037","0.002","7.533","0.002","30.403","0.005","90","","90","","90","","1382.6","0.6","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Romain Noël; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Synthesis of New Chiral 6-Carbonyl 2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridines","Journal of Organic Chemistry","2005","70","","9044","9047","10.1021/jo051192p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020576","7.9659","0.0014","10.1397","0.0015","18.36","0.004","90","","90","","90","","1483","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Romain Noël; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Synthesis of New Chiral 6-Carbonyl 2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridines","Journal of Organic Chemistry","2005","70","","9044","9047","10.1021/jo051192p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020577","9.8995","0.0003","10.8708","0.0004","12.4037","0.0004","80.6686","0.0015","78.7828","0.0016","84.5341","0.0015","1289.2","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 N2 O6 P2 -","- C60 H58 N2 O6 P2 -","- C60 H58 N2 O6 P2 -","1","0.5","","Vanina V. Guidi; Zhou Jin; Devin Busse; William B. Euler; Brett L. Lucht","Bis(phosphine Imide)s: Easily Tunable Organic Electron Donors","Journal of Organic Chemistry","2005","70","","7737","7743","10.1021/jo051196u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020578","25.418","0.005","6.2412","0.0012","12.466","0.003","90","","90","","90","","1977.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C44 H44 O5 -","- C23 H19 O3 -","- C92 H76 O12 -","4","1","","Jarugu Narasimha Moorthy; Ramalingam Natarajan; Paloth Venugopalan","Three-Dimensional Four-Connecting Organic Scaffolds with a Twist: Synthesis and Self-Assembly","Journal of Organic Chemistry","2005","70","","8568","8571","10.1021/jo051205z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020579","13.5422","0.0014","28.132","0.003","31.458","0.003","90","","90","","90","","11985","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H42 O15 S5 -","- C56 H38 O15 S5 -","- C448 H304 O120 S40 -","8","1","","Jarugu Narasimha Moorthy; Ramalingam Natarajan; Paloth Venugopalan","Three-Dimensional Four-Connecting Organic Scaffolds with a Twist: Synthesis and Self-Assembly","Journal of Organic Chemistry","2005","70","","8568","8571","10.1021/jo051205z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020580","27.5495","0.0014","7.4365","0.0004","11.4908","0.0006","90","","95.919","0.001","90","","2341.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Br O3 -","- C28 H27 Br O3 -","- C112 H108 Br4 O12 -","4","1","","Peter Wipf; David L. Waller; Jonathan T. Reeves","Transition-Metal-Mediated Cascade Reactions: The Water-Accelerated Carboalumination-Claisen Rearrangement-Carbonyl Addition Reaction","Journal of Organic Chemistry","2005","70","","8096","8102","10.1021/jo051211v","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020581","18.052","0.003","5.7905","0.0009","10.1108","0.0017","90","","90","","90","","1056.9","0.3","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","9d","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Alan R. Katritzky; Ashraf A. A. Abdel-Fattah; Anna V. Gromova; Rachel Witek; Peter J. Steel","α-Nitro Ketone Synthesis Using N-Acylbenzotriazoles","Journal of Organic Chemistry","2005","70","","9211","9214","10.1021/jo051231x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020582","12.763","0.002","3.8089","0.0007","12.881","0.002","90","","104.416","0.018","90","","606.48","0.19","100","1","100","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 Br2 N2 O2 -","- C12 H8 Br2 N2 O2 -","- C24 H16 Br4 N4 O4 -","2","0.5","","Ivan Halasz; Ernest Meštrović; Helena Čičak; Zlatko Mihalić; Hrvoj Vančik","Solid-State Reaction Mechanisms in Monomer-Dimer Interconversions of p-Bromonitrosobenzene. Single-Crystal-to-Single-Crystal Photodissociation and Formation of New Non-van der Waals Close Contacts","Journal of Organic Chemistry","2005","70","","8461","8467","10.1021/jo051236u","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020583","6.436","0.003","3.8375","0.0012","12.878","0.004","90","","104.65","0.03","90","","307.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H4 Br N O -","- C6 H4 Br N O -","- C12 H8 Br2 N2 O2 -","2","1","","Ivan Halasz; Ernest Meštrović; Helena Čičak; Zlatko Mihalić; Hrvoj Vančik","Solid-State Reaction Mechanisms in Monomer-Dimer Interconversions of p-Bromonitrosobenzene. Single-Crystal-to-Single-Crystal Photodissociation and Formation of New Non-van der Waals Close Contacts","Journal of Organic Chemistry","2005","70","","8461","8467","10.1021/jo051236u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020584","9.394","0.0007","11.7905","0.0009","15.6033","0.0013","89.384","0.002","73.265","0.001","89.838","0.001","1654.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Na dimer","","","- C28 H38 Na2 O16 S2 -","- C28 H38 Na2 O16 S2 -","- C56 H76 Na4 O32 S4 -","2","1","","Salvatore D. Lepore; Anjan K. Bhunia; Pamela Cohn","Arylsulfonate-Based Nucleophile Assisting Leaving Groups","Journal of Organic Chemistry","2005","70","","8117","8121","10.1021/jo051241y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020585","7.802","0.001","8.305","0.002","11.828","0.003","89.59","0.01","81.61","0.01","74.16","0.01","729","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Li N O2 -","- C14 H24 Li N O2 -","- C28 H48 Li2 N2 O4 -","2","1","","Gideon Fraenkel; Xiao Chen; Albert Chow; Judith C. Gallucci; Hua Liu","Internally Solvated Cyclopentadienyllithium Compounds: Structural Integrity of the Cp^-^Li^+^ Moiety. NMR, Dynamics, X-ray Crystallography, and Calculations","Journal of Organic Chemistry","2005","70","","9131","9138","10.1021/jo0512507","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020586","7.034","0.002","12.941","0.004","15.164","0.005","90","","98.235","0.005","90","","1366","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Takehiko Iida; Hiroki Satoh; Kenji Maeda; Yuhei Yamamoto; Ken-ichi Asakawa; Naotaka Sawada; Toshihiro Wada; Chie Kadowaki; Takahiro Itoh; Toshiaki Mase; Steven A. Weissman; Dave Tschaen; Shane Krska; R. P. Volante","Practical Synthesis of a Neuropeptide Y Antagonist via Stereoselective Addition to a Ketene","Journal of Organic Chemistry","2005","70","","9222","9229","10.1021/jo0512709","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020587","20.345","0.009","10.237","0.004","8.191","0.003","90","","107.27","0.02","90","","1629","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 O7 Te2 -","- C12 H24 O7 Te2 -","- C48 H96 O28 Te8 -","4","0.5","","Thomas G. Back; Dušan Kuzma; Masood Parvez","Aromatic Derivatives and Tellurium Analogues of Cyclic Seleninate Esters and Spirodioxyselenuranes That Act as Glutathione Peroxidase Mimetics","Journal of Organic Chemistry","2005","70","","9230","9236","10.1021/jo0512711","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020588","8.323","","25.216","","10.559","","90","","104.92","","90","","2141.3","","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H19 O7 S -","- C26 H19 O7 S -","- C104 H76 O28 S4 -","4","1","","Asit Patra; Pallab Pahari; Sutapa Ray; Dipakranjan Mal","A Brief and Convergent Synthetic Route to Defucogilvocarcin M Chromophore: The Formal Synthesis of WS-5995 A and C","Journal of Organic Chemistry","2005","70","","9017","9020","10.1021/jo0512960","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020589","7.8941","0.001","15.213","0.002","27.777","0.004","90","","90","","90","","3335.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 O5 Si -","- C34 H50 O5 Si -","- C136 H200 O20 Si4 -","4","1","","Santiago Díaz-Oltra; Juan Murga; Eva Falomir; Miguel Carda; Gabriel Peris; J. Alberto Marco","Double Diastereoselection in Aldol Reactions Mediated by Dicyclohexylchloroborane between Chiral Aldehydes and a Chiral Ethyl Ketone Derived from L-Erythrulose. Synthesis of a C1-C9 Fragment of the Structure of the Antifungal Metabolite Soraphen A~1α~","Journal of Organic Chemistry","2005","70","","8130","8139","10.1021/jo051307p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020590","15.0425","0.0009","18.9412","0.0011","23.4689","0.0014","90","","90.167","0.002","90","","6686.8","0.7","273","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H50 O5 Si -","- C2.47273 H3.63636 O0.363636 Si0.0727273 -","- C272 H400 O40 Si8 -","110","55","","Santiago Díaz-Oltra; Juan Murga; Eva Falomir; Miguel Carda; Gabriel Peris; J. Alberto Marco","Double Diastereoselection in Aldol Reactions Mediated by Dicyclohexylchloroborane between Chiral Aldehydes and a Chiral Ethyl Ketone Derived from L-Erythrulose. Synthesis of a C1-C9 Fragment of the Structure of the Antifungal Metabolite Soraphen A~1α~","Journal of Organic Chemistry","2005","70","","8130","8139","10.1021/jo051307p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020591","9.946","0.002","10.576","0.002","12.964","0.003","90","","107.33","0.03","90","","1301.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 Se2 -","- C14 H14 O2 Se2 -","- C56 H56 O8 Se8 -","4","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020592","6.4768","0.0006","15.168","0.002","13.6745","0.0014","90","","90","","90","","1343.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H6 O2 Se -","- C7 H6 O2 Se -","- C56 H48 O16 Se8 -","8","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020593","10.9213","0.0016","11.6525","0.0015","9.3047","0.0012","90","","93.432","0.016","90","","1182","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 O2 Se -","- C14 H12 O2 Se -","- C56 H48 O8 Se4 -","4","0.5","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020594","10.1688","0.0006","10.8693","0.0007","13.4716","0.0008","90","","104.885","0.001","90","","1439.02","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 Te2 -","- C14 H14 O2 Te2 -","- C56 H56 O8 Te8 -","4","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020595","24.144","0.002","8.0642","0.0007","8.0329","0.0007","90","","97.67","0.002","90","","1550","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 Te2 -","- C14 H12 Cl2 Te2 -","- C56 H48 Cl8 Te8 -","4","0.5","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020596","26.645","0.006","9.494","0.002","18.848","0.005","90","","135.036","0.003","90","","3369.2","1.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 O4 Te2 -","- C16 H18 O4 Te2 -","- C128 H144 O32 Te16 -","8","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020597","8.044","0.002","8.412","0.002","13.015","0.003","90","","92.62","0.03","90","","879.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C34 H42 N2 O10 S2 -","2","1","","José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín","The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes","Journal of Organic Chemistry","2005","70","","8825","8834","10.1021/jo0513111","","","","","","","0.0406","","","0.1142","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020598","10.2987","0.0015","10.2987","0.0015","28.821","0.006","90","","90","","120","","2647.4","0.8","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C102 H126 N6 O30 S6 -","6","1","","José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín","The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes","Journal of Organic Chemistry","2005","70","","8825","8834","10.1021/jo0513111","","","","","","","0.0528","","","0.1416","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020599","51.13","0.016","10.331","0.003","13.379","0.004","90","","92.66","0.005","90","","7059","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H45 N O5 Si -","- C39 H45 N O5 Si -","- C312 H360 N8 O40 Si8 -","8","1","","Louis Morency; Louis Barriault","Studies toward the Total Synthesis of Vinigrol. Synthesis of the Octalin Ring","Journal of Organic Chemistry","2005","70","","8841","8853","10.1021/jo051318i","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020600","8.3015","0.0018","11.127","0.003","15.551","0.003","90.438","0.004","104.188","0.004","104.02","0.004","1347.7","0.5","203","2","203","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H38 O6 -","- C31 H38 O6 -","- C62 H76 O12 -","2","1","","Louis Morency; Louis Barriault","Studies toward the Total Synthesis of Vinigrol. Synthesis of the Octalin Ring","Journal of Organic Chemistry","2005","70","","8841","8853","10.1021/jo051318i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020601","8.5483","0.0011","11.9018","0.0015","20.47","0.003","90","","100.168","0.002","90","","2050","0.5","17","2","17","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O3 -","- C24 H22 N4 O3 -","- C96 H88 N16 O12 -","4","1","","Yat Fan Suen; Håkon Hope; Michael H. Nantz; Makhluf J. Haddadin; Mark J. Kurth","A Novel Route to Fully Substituted 1H-Pyrazoles","Journal of Organic Chemistry","2005","70","","8468","8471","10.1021/jo051319a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020602","7.687","0.007","7.876","0.002","16.673","0.003","90","0.02","90","0.04","90","0.04","1009.4","1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C42 H46 N2 O16 -","2","1","","Yanmei Dong; Rui Li; Jun Lu; Xuenong Xu; Xinyan Wang; Yuefei Hu","An Efficient Kinetic Resolution of Racemic Betti Base Based on an Enantioselective N,O-Deketalization","Journal of Organic Chemistry","2005","70","","8617","8620","10.1021/jo051328j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020603","10.0106","0.0014","10.4397","0.0016","11.6615","0.0015","68.051","0.011","67.541","0.01","70.203","0.011","1017","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C40 H36 N4 O16 -","4","2","","Liwen He; G. S. C. Srikanth; Steven L. Castle","Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions","Journal of Organic Chemistry","2005","70","","8140","8147","10.1021/jo051334f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020604","7.1832","0.0014","11.6551","0.0016","13.933","0.002","90","","100.988","0.016","90","","1145.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","","Liwen He; G. S. C. Srikanth; Steven L. Castle","Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions","Journal of Organic Chemistry","2005","70","","8140","8147","10.1021/jo051334f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020605","4.7423","0.0008","15.197","0.003","21.35","0.004","90","","94.01","0.006","90","","1534.9","0.5","273","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Liwen He; G. S. C. Srikanth; Steven L. Castle","Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions","Journal of Organic Chemistry","2005","70","","8140","8147","10.1021/jo051334f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020606","8.071","0.002","12.681","0.003","13.639","0.003","65.64","0.03","87.93","0.03","74.49","0.03","1221","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O7 -","- C26 H28 N2 O7 -","- C52 H56 N4 O14 -","2","1","","Samaresh Jana; Chandrani Guin; Subhas Chandra Roy","Radical Promoted Wagner-Meerwein-Type Rearrangement of Epoxides in Camphoric Systems Using a Ti(III) Radical Source","Journal of Organic Chemistry","2005","70","","8252","8254","10.1021/jo051338k","","","","","","","0.0914","","","0.2529","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020607","9.5136","0.0013","10.9065","0.0009","12.1105","0.0016","74.844","0.007","81.724","0.012","85.942","0.008","1199.5","0.3","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O9 -","- C25 H23 N3 O9 -","- C50 H46 N6 O18 -","2","1","","Zhiming Zhao; Eileen Duesler; Canhui Wang; Hua Guo; Patrick S. Mariano","Photocyclization Reactions of Cyclohexa- and Cyclopenta-Fused Pyridinium Salts. Factors Governing Regioselectivity","Journal of Organic Chemistry","2005","70","","8508","8512","10.1021/jo051348l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020608","7.633","0.0005","8.8059","0.0015","27.8722","0.0018","90","","90","","90","","1873.4","0.4","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O5 -","- C19 H20 Br N O5 -","- C76 H80 Br4 N4 O20 -","4","1","","Zhiming Zhao; Eileen Duesler; Canhui Wang; Hua Guo; Patrick S. Mariano","Photocyclization Reactions of Cyclohexa- and Cyclopenta-Fused Pyridinium Salts. Factors Governing Regioselectivity","Journal of Organic Chemistry","2005","70","","8508","8512","10.1021/jo051348l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020609","12.8627","0.0011","12.6794","0.001","14.6526","0.0012","90","","99.338","0.001","90","","2358","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","1","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020610","10.5574","0.0009","14.4038","0.0009","15.8173","0.0009","90","","90","","90","","2405.3","0.3","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","0.5","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020611","13.9305","0.0008","11.3566","0.0007","16.3281","0.0009","90","","108.007","0.001","90","","2456.6","0.2","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C120 H112 N16 O8 -","4","1","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020612","13.0277","0.0017","21.343","0.003","8.96","0.0011","90","","97.245","0.003","90","","2471.5","0.5","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C120 H112 N16 O8 -","4","1","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020613","8.876","0.003","15.261","0.005","12.078","0.004","90","","98.481","0.005","90","","1618.2","1","113.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara","N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols","Journal of Organic Chemistry","2005","70","","8148","8153","10.1021/jo051378o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020614","11.106","0.002","10.496","0.001","18.526","0.003","90","","104.256","0.006","90","","2093.2","0.4","193.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O2 S -","- C24 H27 N O2 S -","- C96 H108 N4 O8 S4 -","4","1","","Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara","N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols","Journal of Organic Chemistry","2005","70","","8148","8153","10.1021/jo051378o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020615","17.946","0.009","9.44","0.004","20.057","0.01","90","","95.968","0.006","90","","3379","2","193.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O S -","- C18 H21 N O S -","- C144 H168 N8 O8 S8 -","8","2","","Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara","N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols","Journal of Organic Chemistry","2005","70","","8148","8153","10.1021/jo051378o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020616","6.246","0.005","11.712","0.009","12.776","0.009","93.91","0.01","94.64","0.01","93.54","0.009","927","1","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O S -","- C21 H25 N O S -","- C42 H50 N2 O2 S2 -","2","1","","Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara","N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols","Journal of Organic Chemistry","2005","70","","8148","8153","10.1021/jo051378o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020617","29.217","0.003","54.471","0.005","6.1768","0.0006","90","","90","","90","","9830.2","1.6","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H29 N O3 Si -","- C28 H29 N O3 Si -","- C448 H464 N16 O48 Si16 -","16","1","","Christopher J. T. Hyland; Louis S. Hegedus","Boron-Mediated Stereoselective Syntheses of γ,γ-Disubstituted Allenamides","Journal of Organic Chemistry","2005","70","","8628","8630","10.1021/jo051385c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020618","9.9277","0.0011","11.5704","0.0012","13.2704","0.0014","79.483","0.002","87.858","0.002","72.576","0.002","1429.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cl2 N O3 Si -","- C29 H31 Cl2 N O3 Si -","- C58 H62 Cl4 N2 O6 Si2 -","2","1","","Christopher J. T. Hyland; Louis S. Hegedus","Boron-Mediated Stereoselective Syntheses of γ,γ-Disubstituted Allenamides","Journal of Organic Chemistry","2005","70","","8628","8630","10.1021/jo051385c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020619","12.379","0.001","12.63","0.001","29.244","0.004","88.09","0.003","86.149","0.004","89.771","0.005","4559.6","0.8","250","2","250","2","","","","","","","","3","P -1","-P 1","2","Paquette 1326a","","","- C24 H34 O5 -","- C24 H34 O5 -","- C192 H272 O40 -","8","4","","Leo A. Paquette; Zuosheng Liu; Charla Ramsey; Judith C. Gallucci","Competitive Stereochemical Control Operative during Conrotatory Electrocyclization of Helically Equilibrating Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates","Journal of Organic Chemistry","2005","70","","8154","8161","10.1021/jo0513919","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020620","14.199","0.001","15.373","0.001","15.704","0.002","115.918","0.003","90.979","0.003","107.241","0.005","2901.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Paquette 1304","","","- C31 H39 N O7 -","- C31 H39 N O7 -","- C124 H156 N4 O28 -","4","2","","Leo A. Paquette; Zuosheng Liu; Charla Ramsey; Judith C. Gallucci","Competitive Stereochemical Control Operative during Conrotatory Electrocyclization of Helically Equilibrating Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates","Journal of Organic Chemistry","2005","70","","8154","8161","10.1021/jo0513919","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020621","12.74","0.004","13.449","0.01","14.248","0.004","90","","115.2","0.02","90","","2209.02","","288.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Ken Kokubo; Takuya Koizumi; Kenji Harada; Eiko Mochizuki; Takumi Oshima","Site Selectivity Switch in Lewis Acid Catalysis. Mechanism and Kinetic Simulation of Skeletal Rearrangement of Cyclobutene-Fused Homoquinones","Journal of Organic Chemistry","2005","70","","7776","7779","10.1021/jo051399i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020622","15.503","0.005","8.505","0.002","16.954","0.003","90","","100.37","0.02","90","","2198.97","","288.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Ken Kokubo; Takuya Koizumi; Kenji Harada; Eiko Mochizuki; Takumi Oshima","Site Selectivity Switch in Lewis Acid Catalysis. Mechanism and Kinetic Simulation of Skeletal Rearrangement of Cyclobutene-Fused Homoquinones","Journal of Organic Chemistry","2005","70","","7776","7779","10.1021/jo051399i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020623","22.229","0.009","5.344","0.002","27.376","0.011","90","","111.999","0.007","90","","3015","2","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Naphth[1,2-a]azulene","","","- C22 H16 O -","- C22 H16 O -","- C176 H128 O8 -","8","1","","Kimiaki Yamamura; Shizuka Kawabata; Takatomo Kimura; Kazuo Eda; Masao Hashimoto","Novel Synthesis of Benzalacetone Analogues of Naphth[a]azulenes by Intramolecular Tropylium Ion-Mediated Furan Ring-Opening Reaction and X-ray Investigation of a Naphth[1,2-a]azulene Derivative","Journal of Organic Chemistry","2005","70","","8902","8906","10.1021/jo051409f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020624","5.699","0.004","11.841","0.007","16.163","0.011","72.666","0.013","89.879","0.012","88.608","0.015","1040.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H4 Cl2 N2 S2 -","- C8 H4 Cl2 N2 S2 -","- C32 H16 Cl8 N8 S8 -","4","2","","Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba","From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials","Journal of Organic Chemistry","2005","70","","9314","9325","10.1021/jo0514117","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020625","5.6712","0.0007","8.6976","0.0011","12.308","0.0015","96.964","0.002","90.165","0.003","90.255","0.003","602.61","0.13","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Cl3 N O2 S -","- C10 H6 Cl3 N O2 S -","- C20 H12 Cl6 N2 O4 S2 -","2","1","","Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba","From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials","Journal of Organic Chemistry","2005","70","","9314","9325","10.1021/jo0514117","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020626","13.913","0.006","8.713","0.004","26.063","0.012","90","","102.622","0.009","90","","3083","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl N3 O2 S2 -","- C14 H12 Cl N3 O2 S2 -","- C112 H96 Cl8 N24 O16 S16 -","8","1","","Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba","From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials","Journal of Organic Chemistry","2005","70","","9314","9325","10.1021/jo0514117","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020627","8.1728","0.0005","17.7129","0.0009","11.0657","0.0006","90","","101.171","0.005","90","","1571.56","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Fast and Stable Photochromic Oxazines","Journal of Organic Chemistry","2005","70","","8180","8189","10.1021/jo051417w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020628","37.174","0.002","9.267","0.0007","22.8271","0.0017","90","","103.27","0.006","90","","7653.9","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H61 N3 O6 -","- C39 H61 N3 O6 -","- C312 H488 N24 O48 -","8","1","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Fast and Stable Photochromic Oxazines","Journal of Organic Chemistry","2005","70","","8180","8189","10.1021/jo051417w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020629","9.8838","0.0018","10.5056","0.0018","10.8938","0.0019","117.681","0.003","99.163","0.004","108.395","0.004","885.3","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C24 H18 -","- C24 H18 -","- C48 H36 -","2","1","","Li-Xiong Shao; Min Shi","Facile Synthesis of 2-Alkynyl Buta-1,3-dienes via Sonogashira Cross-Coupling Methodology","Journal of Organic Chemistry","2005","70","","8635","8637","10.1021/jo051434l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020630","14.4972","0.0004","8.1056","0.0002","10.8247","0.0003","90","","95.142","0.001","90","","1266.88","0.06","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F2 N3 O2 S -","- C13 H11 F2 N3 O2 S -","- C52 H44 F8 N12 O8 S4 -","4","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020631","18.7318","0.0004","9.9214","0.0002","23.582","0.0005","90","","90","","90","","4382.61","0.16","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 F2 N3 O2 S -","- C25 H19 F2 N3 O2 S -","- C200 H152 F16 N24 O16 S8 -","8","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020632","7.7158","0.0001","9.1","0.0001","10.1603","0.0002","94.951","0.001","99.041","0.001","97.375","0.001","694.56","0.02","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 F2 N3 O2 S -","- C14 H13 F2 N3 O2 S -","- C28 H26 F4 N6 O4 S2 -","2","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020633","8.3219","0.0001","15.8421","0.0002","11.3786","0.0002","90","","109.429","0.001","90","","1414.69","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F2 N3 O2 S -","- C14 H13 F2 N3 O2 S -","- C56 H52 F8 N12 O8 S4 -","4","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020634","10.1943","0.0005","10.5803","0.0006","14.7937","0.0008","105.942","0.002","103.247","0.002","105.64","0.002","1396","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 F2 N3 O2 S -","- C14 H13 F2 N3 O2 S -","- C56 H52 F8 N12 O8 S4 -","4","2","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020635","21.3729","0.0005","9.7107","0.0002","14.4801","0.0003","90","","90","","90","","3005.3","0.1","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H15 F2 N3 O2 S -","- C15 H15 F2 N3 O2 S -","- C120 H120 F16 N24 O16 S8 -","8","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020636","13.1516","0.0008","9.8626","0.0006","13.2963","0.0008","90","","114.265","0.002","90","","1572.28","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F2 N3 O2 S -","- C16 H17 F2 N3 O2 S -","- C64 H68 F8 N12 O8 S4 -","4","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020637","5.589","0.002","9.069","0.004","11.255","0.004","90","","92.84","0.03","90","","569.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C24 H22 Br2 O4 -","2","1","","Weiqing Yang; Deju Shang; Yanling Liu; Ying Du; Xiaoming Feng","Highly Enantioselective Synthesis of 2,6-Disubstituted and 2,2,6-Trisubstituted Dihydropyrones: A One-Step Synthesis of (R)-(+)-Hepialone and Its Analogues","Journal of Organic Chemistry","2005","70","","8533","8537","10.1021/jo051458s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020638","8.6015","0.0007","19.6864","0.0017","10.4409","0.0009","90","","98.94","0.002","90","","1746.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C84 H92 N12 O4 -","4","1","","Peruncheralathan, S.; Yadav, A. K.; Ila, H.; Junjappa, H.","Highly Regioselective Synthesis of 1-Aryl-3 (or 5)-alkyl/aryl-5 (or 3)-(N-cycloamino)pyrazoles","Journal of Organic Chemistry","2005","70","23","9644","9647","10.1021/jo051478u","","","","","","","","","","","","","","","","","","","","","has coordinates","210953","2020-10-21","18:00:00",""
"4020639","6.0884","0.0006","10.5868","0.001","26.996","0.003","90","","90","","90","","1740.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C84 H92 N12 O4 -","4","1","","Peruncheralathan, S.; Yadav, A. K.; Ila, H.; Junjappa, H.","Highly Regioselective Synthesis of 1-Aryl-3 (or 5)-alkyl/aryl-5 (or 3)-(N-cycloamino)pyrazoles","Journal of Organic Chemistry","2005","70","23","9644","9647","10.1021/jo051478u","","","","","","","","","","","","","","","","","","","","","has coordinates","210953","2020-10-21","18:00:00",""
"4020640","8.4077","0.0012","22.863","0.003","24.921","0.004","90","","90","","90","","4790.4","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H62 O10 Si2 -","- C49 H62 O10 Si2 -","- C196 H248 O40 Si8 -","4","1","","William T. Lambert; Gregory H. Hanson; Farid Benayoud; Steven D. Burke","Halichondrin B: Synthesis of the C1-C22 Subunit","Journal of Organic Chemistry","2005","70","","9382","9398","10.1021/jo051479m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020641","26.2553","0.0017","11.3176","0.0008","11.8892","0.0008","90","","112.159","0.001","90","","3271.9","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H44 O9 S Si -","- C26 H44 O9 S Si -","- C104 H176 O36 S4 Si4 -","4","1","","William T. Lambert; Gregory H. Hanson; Farid Benayoud; Steven D. Burke","Halichondrin B: Synthesis of the C1-C22 Subunit","Journal of Organic Chemistry","2005","70","","9382","9398","10.1021/jo051479m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020642","10.1911","0.0017","11.815","0.002","19.571","0.004","90","","90","","90","","2356.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N3 -","- C28 H33 N3 -","- C112 H132 N12 -","4","1","","José M. Concellón; Pablo L. Bernad; José Ramón Suárez; Santiago García-Granda; M. Rosario Díaz","Selective Ring-Opening of Nonactivated Amino Aziridines by Thiols and Unusual Nucleophilic Substitution of a Dibenzylamino Group","Journal of Organic Chemistry","2005","70","","9411","9416","10.1021/jo0515069","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020643","6.4664","0.0003","12.282","0.0007","15.5671","0.0008","104.96","0.001","90.223","0.001","98.037","0.001","1181.67","0.11","133","2","133","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H35 F N3 O3.5 S -","- C21 H35 F N3 O3.5 S -","- C42 H70 F2 N6 O7 S2 -","2","2","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020644","9.548","0.005","11.666","0.006","47.61","0.02","90","","90","","90","","5303","4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 F N3 O3 S -","- C24 H40 F N3 O3 S -","- C192 H320 F8 N24 O24 S8 -","8","2","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020645","10.26","0.0008","11.8826","0.0009","20.4519","0.0016","90","","90","","90","","2493.4","0.3","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 F N3 O3 S -","- C23 H38 F N3 O3 S -","- C92 H152 F4 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020646","9.7343","0.0008","11.863","0.001","12.4542","0.0011","76.418","0.002","75.299","0.002","85.731","0.003","1352","0.2","115","2","115","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H38 F3 N3 O3 S -","- C24 H38 F3 N3 O3 S -","- C48 H76 F6 N6 O6 S2 -","2","2","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020647","10.23","0.002","12.844","0.002","20.36","0.003","90","","90","","90","","2675.3","0.8","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H41 N3 O3 S -","- C24 H41 N3 O3 S -","- C96 H164 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020648","7.2802","0.0007","9.3347","0.0008","31.939","0.003","90","","90","","90","","2170.5","0.3","116","2","116","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 F N3 O3 S -","- C20 H30 F N3 O3 S -","- C80 H120 F4 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020649","7.096","0.0006","9.3289","0.0007","17.3403","0.0014","90","","94.526","0.002","90","","1144.31","0.16","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H30 F3 N3 O3 S -","- C21 H30 F3 N3 O3 S -","- C42 H60 F6 N6 O6 S2 -","2","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020650","7.3109","0.0005","15.176","0.0011","20.6948","0.0015","90","","90","","90","","2296.1","0.3","117","2","117","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl N3 O3 S -","- C20 H30 Cl N3 O3 S -","- C80 H120 Cl4 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020651","22.067","0.004","19.299","0.004","8.537","0.002","90","","100.13","0.03","90","","3579","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 F18 N4 O12 -","- C26 H15 F18 N4 O12 -","- C104 H60 F72 N16 O48 -","4","1","","Jun Yin; Ronald L. Elsenbaumer","Efficient Synthesis and Characterization of Novel Bibenzimidazole Oligomers and Polymers as Potential Conjugated Chelating Ligands","Journal of Organic Chemistry","2005","70","","9436","9446","10.1021/jo051515h","","","","","","","0.0755","","","0.1797","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020652","6.679","0.001","33.845","0.005","10.224","0.002","90","","97.295","0.01","90","","2292.4","0.7","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 O5 Si -","- C21 H38 O5 Si -","- C84 H152 O20 Si4 -","4","1","","Robert S. Coleman; Srinivas Reddy Gurrala; Soumya Mitra; Amresh Raao","Asymmetric Total Synthesis of Dibenzocyclooctadiene Lignan Natural Products","Journal of Organic Chemistry","2005","70","","8932","8941","10.1021/jo051525i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020653","15.786","0.002","20.987","0.002","10.767","0.001","90","","98.914","0.004","90","","3524","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 O7 Si -","- C36 H52 O7 Si -","- C144 H208 O28 Si4 -","4","1","","Robert S. Coleman; Srinivas Reddy Gurrala; Soumya Mitra; Amresh Raao","Asymmetric Total Synthesis of Dibenzocyclooctadiene Lignan Natural Products","Journal of Organic Chemistry","2005","70","","8932","8941","10.1021/jo051525i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020654","10.691","0.001","11.526","0.001","14.901","0.002","84.33","0.005","75.379","0.005","72.421","0.005","1693.2","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Coleman 1300","","","- C33 H53 O7 Si -","- C33 H53 O7 Si -","- C66 H106 O14 Si2 -","2","1","","Robert S. Coleman; Srinivas Reddy Gurrala; Soumya Mitra; Amresh Raao","Asymmetric Total Synthesis of Dibenzocyclooctadiene Lignan Natural Products","Journal of Organic Chemistry","2005","70","","8932","8941","10.1021/jo051525i","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020655","11.61","0.0003","7.5434","0.0002","12.8521","0.0003","90","","104.621","0.002","90","","1089.12","0.05","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl3 F N2 O4 -","- C21 H18 Cl3 F N2 O4 -","- C42 H36 Cl6 F2 N4 O8 -","2","1","","Hartmut Schirok; Cristina Alonso-Alija; Jordi Benet-Buchholz; Andreas H. Göller; Rolf Grosser; Martin Michels; Holger Paulsen","Efficient Regioselective Synthesis of 6-Amino-5-benzoyl-1-Substituted 2(1H)-Pyridinones","Journal of Organic Chemistry","2005","70","","9463","9469","10.1021/jo0515428","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020656","5.497","0.002","9.9352","0.0006","23.478","0.004","90","","90","","90","","1282.2","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Br2 N2 O3 -","- C10 H10 Br2 N2 O3 -","- C40 H40 Br8 N8 O12 -","4","1","","Jignesh Patel; Nadia Pelloux-Léon; Frédéric Minassian; Yannick Vallée","Syntheses of S-Enantiomers of Hanishin, Longamide B, and Longamide B Methyl Ester from L-Aspartic Acid β-Methyl Ester: Establishment of Absolute Stereochemistry","Journal of Organic Chemistry","2005","70","","9081","9084","10.1021/jo051555l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020657","10.3484","0.0003","12.843","0.0004","26.7241","0.0006","90","","90","","90","","3551.75","0.17","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Diferrocenylcyclobutenedione","","","- C24 H18 Fe2 O2 -","- C24 H18 Fe1.9 O2 -","- C192 H144 Fe15.2 O16 -","8","2","","Angelica Aguilar-Aguilar; Annette D. Allen; Eduardo Peña Cabrera; Andrei Fedorov; Nanyan Fu; Huda Henry-Riyad; Jörg Leuninger; Ulrich Schmid; Thomas T. Tidwell; Rishi Verma","Ferrocenylketene and Ferrocenyl-1,2-bisketenes: Direct Observation and Reactivity Measurements","Journal of Organic Chemistry","2005","70","","9556","9561","10.1021/jo0515677","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020658","6.87","0.001","20.553","0.004","11.365","0.003","90","","104.83","","90","","1551.3","0.6","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ferrocenyl(trimethylsilyl)cyclobutenedione","","","- C17 H18 Fe O2 Si -","- C17 H18 Fe O2 Si -","- C68 H72 Fe4 O8 Si4 -","4","1","","Angelica Aguilar-Aguilar; Annette D. Allen; Eduardo Peña Cabrera; Andrei Fedorov; Nanyan Fu; Huda Henry-Riyad; Jörg Leuninger; Ulrich Schmid; Thomas T. Tidwell; Rishi Verma","Ferrocenylketene and Ferrocenyl-1,2-bisketenes: Direct Observation and Reactivity Measurements","Journal of Organic Chemistry","2005","70","","9556","9561","10.1021/jo0515677","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020659","8.7723","0.0018","8.8405","0.0008","11.9797","0.0011","81.375","0.008","78.537","0.013","85.571","0.013","899.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N Si -","- C22 H21 N Si -","- C44 H42 N2 Si2 -","2","1","","Bogdan Marciniec; Mariusz Majchrzak; Wiesław Prukała; Maciej Kubicki; Dariusz Chadyniak","Highly Stereoselective Synthesis, Structure, and Application of (E)-9-[2-(Silyl)ethenyl]-9H-carbazoles","Journal of Organic Chemistry","2005","70","","8550","8555","10.1021/jo051629t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020660","14.789","0.003","6.036","0.001","18.275","0.004","90","","106.03","0.03","90","","1567.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N Si -","- C17 H19 N Si -","- C68 H76 N4 Si4 -","4","1","","Bogdan Marciniec; Mariusz Majchrzak; Wiesław Prukała; Maciej Kubicki; Dariusz Chadyniak","Highly Stereoselective Synthesis, Structure, and Application of (E)-9-[2-(Silyl)ethenyl]-9H-carbazoles","Journal of Organic Chemistry","2005","70","","8550","8555","10.1021/jo051629t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020661","6.0925","0.0002","12.0434","0.0006","21.4699","0.0011","90","","96.706","0.002","90","","1564.56","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","arufrct2","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Kamyar Afarinkia; Akmal Bahar; Michael J. Bearpark; Yésica García-Ramos; Andrea Ruggiero; Judi Neuss; Maushami Vyas","Investigation of the Diels-Alder Cycloadditions of 2(H)-1,4-Oxazin-2-ones","Journal of Organic Chemistry","2005","70","","9529","9537","10.1021/jo051646i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020662","12.7087","0.0007","10.1688","0.0006","15.6737","0.0009","90","","99.455","0.003","90","","1998","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","aru18f2","","","- C26 H17 Br Cl N O3 -","- C24 H17 Br Cl N O3 -","- C96 H68 Br4 Cl4 N4 O12 -","4","1","","Kamyar Afarinkia; Akmal Bahar; Michael J. Bearpark; Yésica García-Ramos; Andrea Ruggiero; Judi Neuss; Maushami Vyas","Investigation of the Diels-Alder Cycloadditions of 2(H)-1,4-Oxazin-2-ones","Journal of Organic Chemistry","2005","70","","9529","9537","10.1021/jo051646i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020663","7.9987","0.0001","15.5029","0.0003","16.5298","0.0004","90","","103.866","0.0006","90","","1990.01","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Co4 O16 -","- C34 H28 Co4 O16 -","- C68 H56 Co8 O32 -","2","0.5","","Kevin M. Shea; Kristina D. Closser; Miriam M. Quintal","Nicholas Reactions with Carboxylic Acids for the Synthesis of Macrocyclic Diolides","Journal of Organic Chemistry","2005","70","","9088","9091","10.1021/jo051691q","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020664","8.4864","0.0011","8.5814","0.0011","8.6437","0.0012","98.452","0.002","101.45","0.002","114.134","0.002","544.4","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C24 H30 N2 O6 -","2","1","","Yong-Hua Yang; Min Shi","Ring-Expanding Reaction of Cyclopropyl Amides with Triphenylphosphine and Carbon Tetrahalide","Journal of Organic Chemistry","2005","70","","8645","8648","10.1021/jo0516988","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020665","15.511","0.0005","10.2182","0.0003","16.1676","0.0005","90","","90","","90","","2562.48","0.14","140","1","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H11 B F15 N O -","- C28 H11 B F15 N O -","- C112 H44 B4 F60 N4 O4 -","4","1","","Priyadarshine Hewavitharanage; Evgeny O. Danilov; Douglas C. Neckers","Pentafluorophenyl Transfer: A New Group-Transfer Reaction in Organoborate Salts","Journal of Organic Chemistry","2005","70","","10653","10659","10.1021/jo050695s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020666","11.6318","0.0006","18.6066","0.0008","13.2326","0.0007","90","","112.289","0.001","90","","2649.9","0.2","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 Si4 -","- C56 H68 Si4 -","- C112 H136 Si8 -","2","0.5","","Hajime Maeda; Ko-ichi Nishimura; Kazuhiko Mizuno; Minoru Yamaji; Juro Oshima; Seiji Tobita","Synthesis and Photochemical Properties of Stilbenophanes Tethered by Silyl Chains. Control of (2π+2π) Photocycloaddition, Cis-Trans Photoisomerization, and Photocyclization","Journal of Organic Chemistry","2005","70","","9693","9701","10.1021/jo050914+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020667","9.747","0.002","14.336","0.004","15.906","0.004","90","","102.08","0.01","90","","2173.4","0.9","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 Si2 -","- C56 H48 Si2 -","- C112 H96 Si4 -","2","0.5","","Hajime Maeda; Ko-ichi Nishimura; Kazuhiko Mizuno; Minoru Yamaji; Juro Oshima; Seiji Tobita","Synthesis and Photochemical Properties of Stilbenophanes Tethered by Silyl Chains. Control of (2π+2π) Photocycloaddition, Cis-Trans Photoisomerization, and Photocyclization","Journal of Organic Chemistry","2005","70","","9693","9701","10.1021/jo050914+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020668","10.0829","0.0007","13.0345","0.0009","29.465","0.002","90","","97.475","0.001","90","","3839.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Cl8 O8 -","- C36 H34 Cl8 O8 -","- C144 H136 Cl32 O32 -","4","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.0794","0.0562","","","0.1327","0.1447","","","","","","1.029","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020669","12.119","0.002","21.628","0.004","21.812","0.004","114.94","0.03","90.12","0.03","106.06","0.03","4935.7","1.7","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C132 H126 O12 -","- C132 H126 O12 -","- C264 H252 O24 -","2","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.2508","0.1973","","","0.5862","0.6238","","","","","","2.518","","","","has coordinates","178046","2020-10-21","18:00:00",""
"4020670","10.1163","0.0006","13.3844","0.0008","18.6525","0.0012","73.316","0.001","77.567","0.001","68.352","0.001","2231.6","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H50 O4 -","- C64 H50 O4 -","- C128 H100 O8 -","2","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.1853","0.1265","","","0.2148","0.2414","","","","","","1.255","","","","has coordinates","178046","2020-10-21","18:00:00",""
"4020671","24.6645","0.0017","17.5336","0.0012","19.816","0.0014","90","","98.469","0.001","90","","8476.1","1","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90.5 H90 Ag2 B2 Cl F8 N7 O8 -","- C90.5 H90 Ag2 B2 Cl F8 N7 O8 -","- C362 H360 Ag8 B8 Cl4 F32 N28 O32 -","4","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.1466","0.0698","","","0.1869","0.2174","","","","","","0.944","","","","has coordinates","178046","2020-10-21","18:00:00",""
"4020672","20.275","0.002","6.5897","0.0007","28.606","0.002","90","","113.243","0.006","90","","3511.7","0.6","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H40 Ag N3 O7 -","- C42 H40 Ag N3 O7 -","- C168 H160 Ag4 N12 O28 -","4","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.1287","0.0653","","","0.1607","0.1944","","","","","","0.964","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020673","17.431","0.003","9.0482","0.0013","11.2508","0.0016","90","","105.479","0.011","90","","1710.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N3 O3 -","- C16 H22 N3 O3 -","- C64 H88 N12 O12 -","4","1","","Maxim A. Voinov; Julya F. Polienko; Thomas Schanding; Andrey A. Bobko; Valery V. Khramtsov; Yury V. Gatilov; Tatyana V. Rybalova; Alex I. Smirnov; Igor A. Grigor'ev","Synthesis, Structure, and X-Band (9.5 GHz) EPR Characterization of the New Series of pH-Sensitive Spin Probes: N,N-Disubstituted 4-Amino-2,2,5,5-tetramethyl-3-imidazoline 1-Oxyls","Journal of Organic Chemistry","2005","70","","9702","9711","10.1021/jo0510890","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020674","15.833","0.004","4.6775","0.0011","12.142","0.003","90","","100.159","0.005","90","","885.1","0.4","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C44 H40 O8 -","2","0.5","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020675","35.281","0.004","4.6868","0.0005","12.1021","0.0013","90","","97.519","0.002","90","","1984","0.4","183","2","183","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","0.5","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020676","19.63","0.003","4.6867","0.0006","12.0309","0.0016","90","","94.459","0.002","90","","1103.5","0.3","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C52 H56 O8 -","2","0.5","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020677","44.904","0.004","4.675","0.0004","12.0495","0.001","90","","104.224","0.001","90","","2451.9","0.4","183","2","183","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C112 H128 O16 -","4","0.5","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020678","13.742","0.0017","14.6337","0.0019","13.1471","0.0018","90","","115.786","0.002","90","","2380.6","0.5","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C112 H128 O16 -","4","1","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020679","10.354","0.002","11.028","0.002","14.928","0.002","90","","90","","90","","1704.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N O3 -","- C18 H29 N O3 -","- C72 H116 N4 O12 -","4","1","","Rajesh Iyengar; Klaas Schildknegt; Martha Morton; Jeffrey Aubé","Revisiting a Classic Approach to the Aspidosperma Alkaloids: An Intramolecular Schmidt Reaction Mediated Synthesis of (+)-Aspidospermidine","Journal of Organic Chemistry","2005","70","","10645","10652","10.1021/jo051212n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020680","10.1624","0.0011","15.3277","0.0016","21.681","0.002","90","","94.117","0.002","90","","3368.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 B2 F8 S4 -","- C32 H30 B2 F8 S4 -","- C128 H120 B8 F32 S16 -","4","1","","Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire","Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols","Journal of Organic Chemistry","2005","70","","9764","9770","10.1021/jo051317q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020681","20.296","0.004","13.134","0.002","18.991","0.003","90","","116.989","0.003","90","","4511.1","1.4","273","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 B F4 S2 -","- C22 H25 B F4 S2 -","- C176 H200 B8 F32 S16 -","8","1","","Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire","Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols","Journal of Organic Chemistry","2005","70","","9764","9770","10.1021/jo051317q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020682","11.4982","0.0013","12.4392","0.0015","23.139","0.003","90","","99.488","0.002","90","","3264.2","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 B2 F8 N S4 -","- C31 H27 B2 F8 N S4 -","- C124 H108 B8 F32 N4 S16 -","4","1","","Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire","Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols","Journal of Organic Chemistry","2005","70","","9764","9770","10.1021/jo051317q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020683","12.43","0.002","5.3168","0.001","12.926","0.002","90","","106.652","0.004","90","","818.4","0.3","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C30 H48 O10 -","2","1","","Jorge García-Fortanet; Juan Murga; Eva Falomir; Miguel Carda; J. Alberto Marco","Stereoselective Total Synthesis and Absolute Configuration of the Natural Decanolides (-)-Microcarpalide and (+)-Lethaloxin. Identity of (+)-Lethaloxin and (+)-Pinolidoxin","Journal of Organic Chemistry","2005","70","","9822","9827","10.1021/jo051353p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020684","18.718","0.004","26.983","0.005","13.365","0.003","90","","128.971","0.002","90","","5248.2","1.8","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 F6 O2 -","- C29 H26 F6 O2 -","- C232 H208 F48 O16 -","8","1","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020685","14.602","0.003","9.4947","0.0017","19.285","0.003","90","","105.271","0.003","90","","2579.4","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 F6 O2 -","- C29 H26 F6 O2 -","- C116 H104 F24 O8 -","4","1","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020686","11.284","0.003","9.34","0.002","18.119","0.004","90","","93.793","0.004","90","","1905.4","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 F6 O2 -","- C23 H14 F6 O2 -","- C92 H56 F24 O8 -","4","1","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020687","12.337","0.004","9.686","0.003","31.46","0.01","90","","90","","90","","3760","2","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H14 F6 O2 -","- C23 H14 F6 O2 -","- C184 H112 F48 O16 -","8","2","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020688","10.3524","0.0002","9.7016","0.0002","31.2564","0.0005","90","","94.7012","0.0005","90","","3128.7","","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 O9 S2 -","- C16 H24 O9 S2 -","- C96 H144 O54 S12 -","6","3","","Elizabeth J. Grayson; Sarah J. Ward; Alison L. Hall; Phillip M. Rendle; David P. Gamblin; Andrei S. Batsanov; Benjamin G. Davis","Glycosyl Disulfides: Novel Glycosylating Reagents with Flexible Aglycon Alteration","Journal of Organic Chemistry","2005","70","","9740","9754","10.1021/jo051374j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020689","9.279","0.004","9.314","0.005","47.04","0.02","90","","90","","90","","4065","3","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O11 S2 -","- C15 H22 O11 S2 -","- C120 H176 O88 S16 -","8","2","","Elizabeth J. Grayson; Sarah J. Ward; Alison L. Hall; Phillip M. Rendle; David P. Gamblin; Andrei S. Batsanov; Benjamin G. Davis","Glycosyl Disulfides: Novel Glycosylating Reagents with Flexible Aglycon Alteration","Journal of Organic Chemistry","2005","70","","9740","9754","10.1021/jo051374j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020690","29.18","0.01","12.689","0.005","19.779","0.008","90","","120.77","0.03","90","","6293.9","0.5","123.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 B F4 N6 O4.5 -","- C33 H30 B F4 N6 O4.5 -","- C264 H240 B8 F32 N48 O36 -","8","1","","Shin-ichi Naya; Junya Nishimura; Makoto Nitta","Novel Synthesis, Properties, and NAD^+^-NADH Type Redox Ability of 1,3-Dimethylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions Annulated with Additional Pyrrolo[2,3-d]pyrimidine-1,3(2,4H)-dione and Furan Analogue, and Their Hydride Adducts","Journal of Organic Chemistry","2005","70","","9780","9788","10.1021/jo0514523","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020691","12.317","0.007","11.894","0.007","19.91","0.01","90","","100.5","0.05","90","","2868.7","0.3","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 B F4 N6 O4 -","- C31 H25 B F4 N6 O4 -","- C124 H100 B4 F16 N24 O16 -","4","1","","Shin-ichi Naya; Junya Nishimura; Makoto Nitta","Novel Synthesis, Properties, and NAD^+^-NADH Type Redox Ability of 1,3-Dimethylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions Annulated with Additional Pyrrolo[2,3-d]pyrimidine-1,3(2,4H)-dione and Furan Analogue, and Their Hydride Adducts","Journal of Organic Chemistry","2005","70","","9780","9788","10.1021/jo0514523","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020692","7.782","0.0016","11.145","0.002","13.821","0.003","72.23","0.03","75.48","0.03","70.62","0.03","1061.8","0.4","568","2","568","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C46 H68 O8 -","2","1","","Mihirbaran Mandal; Heedong Yun; Gregory B. Dudley; Songnian Lin; Derek S. Tan; Samuel J. Danishefsky","Total Synthesis of Guanacastepene A: A Route to Enantiomeric Control","Journal of Organic Chemistry","2005","70","","10619","10637","10.1021/jo051470k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020693","14.747","0.002","18.745","0.002","5.702","0.001","90","","90","","90","","1576.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H26 N2 O2 -","- C14 H26 N2 O2 -","- C56 H104 N8 O8 -","4","1","","Claude Grison; Philippe Coutrot; Stéphane Genève; Claude Didierjean; Michel Marraud","Structural Investigation of ""cis"" and ""trans"" Vinylogous Peptides: cis-Vinylog Turn in Folded cis-Vinylogous Peptides, an Excellent Mimic of the Natural β-Turn","Journal of Organic Chemistry","2005","70","","10753","10764","10.1021/jo051483y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020694","8.635","0.0004","8.793","0.0003","10.356","0.0006","82.257","0.003","73.341","0.002","66.915","0.003","692.76","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H36 Cl2 N4 O5.3 -","- C21 H36 Cl2 N4 O5.3 -","- C21 H36 Cl2 N4 O5.3 -","1","1","","Claude Grison; Philippe Coutrot; Stéphane Genève; Claude Didierjean; Michel Marraud","Structural Investigation of ""cis"" and ""trans"" Vinylogous Peptides: cis-Vinylog Turn in Folded cis-Vinylogous Peptides, an Excellent Mimic of the Natural β-Turn","Journal of Organic Chemistry","2005","70","","10753","10764","10.1021/jo051483y","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020695","9.2819","0.0005","9.716","0.0006","21.2585","0.0012","83.289","0.001","80.492","0.001","64.244","0.001","1700.78","0.17","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H16 Cl2 F8 -","- C30 H16 Cl2 F8 -","- C90 H48 Cl6 F24 -","3","3","","William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga","A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene","Journal of Organic Chemistry","2005","70","","10336","10341","10.1021/jo051488v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020696","9.3031","0.0005","14.1979","0.0008","16.3548","0.0009","90","","104.872","0.002","90","","2087.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H14 F8 -","- C30 H14 F8 -","- C120 H56 F32 -","4","1","","William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga","A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene","Journal of Organic Chemistry","2005","70","","10336","10341","10.1021/jo051488v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020697","9.2818","0.0007","14.745","0.002","15.9431","0.0011","90","","105.49","0.002","90","","2102.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H14 F8 O -","- C30 H14 F8 O -","- C120 H56 F32 O4 -","4","1","","William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga","A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene","Journal of Organic Chemistry","2005","70","","10336","10341","10.1021/jo051488v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020698","9.921","0.005","27.47","0.01","10.021","0.005","90","","118.67","0.05","90","","2396","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O5 -","- C27 H29 N O5 -","- C108 H116 N4 O20 -","4","2","","Jean-François Poisson; Arturo Orellana; Andrew E. Greene","Stereocontrolled Synthesis of (-)-Kainic Acid from trans-4-Hydroxy-L-proline","Journal of Organic Chemistry","2005","70","","10860","10863","10.1021/jo051508t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020699","20.4347","0.0016","6.6251","0.0006","19.3921","0.0014","90","","96.979","0.007","90","","2605.9","0.4","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C104 H152 N8 O32 -","8","1","","Birte Basler; Oliver Schuster; Thorsten Bach","Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening","Journal of Organic Chemistry","2005","70","","9798","9808","10.1021/jo0515226","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020700","32.3497","0.0006","9.9117","0.0001","12.2514","0.0002","90","","90","","90","","3928.3","0.1","143","2","143","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22.5 H25 Cl N2 O3 -","- C22.5 H25 Cl N2 O3 -","- C180 H200 Cl8 N16 O24 -","8","1","","Birte Basler; Oliver Schuster; Thorsten Bach","Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening","Journal of Organic Chemistry","2005","70","","9798","9808","10.1021/jo0515226","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020701","14.599","0.005","6.156","0.002","18","0.007","90","","106.209","0.007","90","","1553.5","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H48 O6 -","- C34 H48 O6 -","- C68 H96 O12 -","2","1","","Bingfeng Shi; Pingping Tang; Xiaoyi Hu; Jun O. Liu; Biao Yu","OSW Saponins: Facile Synthesis toward a New Type of Structures with Potent Antitumor Activities","Journal of Organic Chemistry","2005","70","","10354","10367","10.1021/jo051536b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020702","28.197","0.007","6.3152","0.0017","22.247","0.006","90","","127.911","0.004","90","","3125.5","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H50 O5 Si -","- C28.6 H50 O5 Si -","- C114.4 H200 O20 Si4 -","4","1","","Bingfeng Shi; Pingping Tang; Xiaoyi Hu; Jun O. Liu; Biao Yu","OSW Saponins: Facile Synthesis toward a New Type of Structures with Potent Antitumor Activities","Journal of Organic Chemistry","2005","70","","10354","10367","10.1021/jo051536b","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020703","6.16","0.0012","12.062","0.002","19.348","0.004","90","","93.85","0.03","90","","1434.3","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O6 -","- C30 H48 O6 -","- C60 H96 O12 -","2","1","","Zihao Hua; David A. Carcache; Yuan Tian; Yue-Ming Li; Samuel J. Danishefsky","The Synthesis and Preliminary Biological Evaluation of a Novel Steroid with Neurotrophic Activity: NGA0187","Journal of Organic Chemistry","2005","70","","9849","9856","10.1021/jo051556d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020704","8.403","0.003","14.622","0.006","9.752","0.004","90","","91.29","0.03","90","","1198","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H23 N4 O P -","- C28 H23 N4 O P -","- C56 H46 N8 O2 P2 -","2","1","","Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel","Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives","Journal of Organic Chemistry","2005","70","","9835","9840","10.1021/jo051586g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020705","8.4707","0.0002","14.16","0.0003","23.7508","0.0007","90","","97.37","0.005","90","","2825.3","0.1","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C131 H98 Cl2 N16 O10 P8 -","- C131 H98 Cl2 N16 O10 P8 -","- C131 H98 Cl2 N16 O10 P8 -","1","0.5","","Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel","Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives","Journal of Organic Chemistry","2005","70","","9835","9840","10.1021/jo051586g","","","","","","","","","","","","","","","","","","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4020706","8.118","0.0003","20.8664","0.0008","8.9972","0.0003","90","","108.976","0.005","90","","1441.24","0.09","173","","173","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H27 N4 O5 P -","- C32 H27 N4 O5 P -","- C64 H54 N8 O10 P2 -","2","0.5","","Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel","Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives","Journal of Organic Chemistry","2005","70","","9835","9840","10.1021/jo051586g","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020707","6.855","0.001","10.497","0.001","20.241","0.003","90","","90","","90","","1456.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Ramón Badorrey; Carlos Cativiela; María D. Díaz-de-Villegas; Roberto Díez; Fabrizio Galbiati; José A. Gálvez","Highly Diastereoselective Cyanation of Methyl Ketimines Obtained from (R)-Glyceraldehyde","Journal of Organic Chemistry","2005","70","","10102","10105","10.1021/jo051592c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020708","9.808","0.002","11.955","0.002","17.065","0.003","90","","90","","90","","2001","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 N2 O5 -","- C18 H30 N2 O5 -","- C72 H120 N8 O20 -","4","1","","Pijus Kumar Mandal; Kumar K. Kaluarachchi; Douglas Ogrin; Simon G. Bott; John S. McMurray","An Efficient Synthesis of the Constrained Peptidomimetic 2-Oxo-3-(N-9-fluorenyloxy-carbonylamino)- 1-azabicyclo[4.3.0]nonane-9-carboxylic Acid from Pyroglutamic Acid","Journal of Organic Chemistry","2005","70","","10128","10131","10.1021/jo0515935","","","","","","","0.0491","","","0.099","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020709","18.068","0.002","18.068","0.004","25.243","0.004","90","","90","","90","","8241","2","298","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C13 H20 Cl K N2 O12 -","- C13 H18 Cl K N2 O12 -","- C208 H288 Cl16 K16 N32 O192 -","16","1","","Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik","Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation","Journal of Organic Chemistry","2005","70","","9867","9873","10.1021/jo051594x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020710","11.3291","0.0012","21.53","0.003","10.342","0.002","90","","98.036","0.01","90","","2497.9","0.6","298","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 F6 K N3 O8 P -","- C15 H23 F6 K N3 O8 P -","- C60 H92 F24 K4 N12 O32 P4 -","4","1","","Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik","Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation","Journal of Organic Chemistry","2005","70","","9867","9873","10.1021/jo051594x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020711","16.419","0.003","8.0011","0.0014","17.43","0.005","90","","91.24","0.02","90","","2289.3","1","298","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H20 Cl N2 Na2 O16 -","- C13 H20 Cl2 N2 Na2 O16 -","- C52 H80 Cl8 N8 Na8 O64 -","4","1","","Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik","Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation","Journal of Organic Chemistry","2005","70","","9867","9873","10.1021/jo051594x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020712","13.0799","0.0011","13.5478","0.001","23.1224","0.0019","90","","90","","90","","4097.4","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Cu F3 O5 P4 S -","- C37 H56 Cu F3 O5 P4 S -","- C148 H224 Cu4 F12 O20 P16 S4 -","4","1","","Alexandre Côté; André B. Charette","Multicomponent One-Pot Procedure for the Synthesis of Free α-Chiral Amines from Aldehydes","Journal of Organic Chemistry","2005","70","","10864","10867","10.1021/jo0516483","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020713","7.7036","0.0013","10.137","0.0017","18.605","0.003","90","","94.481","0.003","90","","1448.4","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N8 O14 -","- C26 H32 N8 O14 -","- C52 H64 N16 O28 -","2","0.5","","Jason Lagona; James C. Fettinger; Lyle Isaacs","Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies","Journal of Organic Chemistry","2005","70","","10381","10392","10.1021/jo051655r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020714","10.1433","0.0005","18.4828","0.0009","18.5254","0.0009","90","","93.667","0.001","90","","3466","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N10 O14 -","- C30 H38 N10 O14 -","- C120 H152 N40 O56 -","4","1","","Jason Lagona; James C. Fettinger; Lyle Isaacs","Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies","Journal of Organic Chemistry","2005","70","","10381","10392","10.1021/jo051655r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020715","11.4566","0.0005","12.8691","0.0006","21.024","0.0009","92.876","0.001","98.905","0.001","106.952","0.001","2914.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H66 N16 O45 -","- C36 H63.8 N16 O45 -","- C72 H127.6 N32 O90 -","2","1","","Jason Lagona; James C. Fettinger; Lyle Isaacs","Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies","Journal of Organic Chemistry","2005","70","","10381","10392","10.1021/jo051655r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020716","9.6635","0.0003","16.6677","0.0005","21.0632","0.0006","90","","94.878","0.001","90","","3380.33","0.17","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N12 O10 -","- C30 H36 N12 O10 -","- C120 H144 N48 O40 -","4","1","","Jason Lagona; James C. Fettinger; Lyle Isaacs","Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies","Journal of Organic Chemistry","2005","70","","10381","10392","10.1021/jo051655r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020717","9.4195","0.0003","21.7175","0.0006","10.4372","0.0003","90","","90.8136","0.0007","90","","2134.9","0.1","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl O4 -","- C24 H23 Cl O4 -","- C96 H92 Cl4 O16 -","4","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba","In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters","Journal of Organic Chemistry","2005","70","","10408","10419","10.1021/jo051659w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020718","11.847","0.008","8.94","0.007","19.015","0.006","90","","93.27","0.04","90","","2010","1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br Cl O4 -","- C20 H20 Br Cl O4 -","- C80 H80 Br4 Cl4 O16 -","4","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba","In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters","Journal of Organic Chemistry","2005","70","","10408","10419","10.1021/jo051659w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020719","5.9017","0.0001","8.0644","0.0006","13.7216","0.0005","90","","94.785","0.002","90","","650.79","0.06","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba","In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters","Journal of Organic Chemistry","2005","70","","10408","10419","10.1021/jo051659w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020720","12.0726","0.0007","22.2121","0.0011","12.0726","0.0007","90","","113.741","0.002","90","","2963.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H68 O14 -","- C70 H68 O14 -","- C140 H136 O28 -","2","0.5","","José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados","Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes","Journal of Organic Chemistry","2005","70","","10400","10407","10.1021/jo0516638","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020721","11.1749","0.0001","12.1186","0.0001","27.6517","0.0003","90","","90.607","0.001","90","","3744.5","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C83 H92 Cl2 O14 -","- C83 H92 Cl2 O14 -","- C166 H184 Cl4 O28 -","2","0.5","","José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados","Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes","Journal of Organic Chemistry","2005","70","","10400","10407","10.1021/jo0516638","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020722","11.8114","0.0002","21.0977","0.0004","15.827","0.0003","90","","109.64","0.001","90","","3714.53","0.12","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H86 Br2 O14 -","- C80 H86 Br2 O14 -","- C160 H172 Br4 O28 -","2","0.5","","José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados","Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes","Journal of Organic Chemistry","2005","70","","10400","10407","10.1021/jo0516638","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020723","9.3699","0.001","10.4362","0.0012","13.2079","0.0018","101.103","0.011","94.95","0.01","111.346","0.01","1163","0.2","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C44 H52 N4 O24 -","- C44 H52 N4 O24 -","- C44 H52 N4 O24 -","1","1","","Tetsuya Kodama; Marc M. Greenberg","Preparation and Analysis of Oligonucleotides Containing Lesions Resulting from C5'-Oxidation","Journal of Organic Chemistry","2005","70","","9916","9924","10.1021/jo051666k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020724","5.384","0.0005","12.0829","0.0012","17.7316","0.0016","90","","90","","90","","1153.52","0.19","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O6 -","- C11 H14 O6 -","- C44 H56 O24 -","4","1","","N. Nieto; P. Molas; J. Benet-Buchholz; A. Vidal-Ferran","Practical Synthesis of Shi's Diester Fructose Derivative for Catalytic Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","10143","10146","10.1021/jo051682h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020725","22.246","0.011","23.698","0.011","5.599","0.002","90","","90","","90","","2952","2","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H20 O9 -","- C13 H20 O9 -","- C104 H160 O72 -","8","2","","N. Nieto; P. Molas; J. Benet-Buchholz; A. Vidal-Ferran","Practical Synthesis of Shi's Diester Fructose Derivative for Catalytic Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","10143","10146","10.1021/jo051682h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020726","8.817","0.002","14.894","0.003","32.741","0.007","90","","90","","90","","4299.6","1.6","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H52 N4 O2 -","- C52 H52 N4 O2 -","- C208 H208 N16 O8 -","4","1","","Jacek Gawroński; Małgorzata Brzostowska; Marcin Kwit; Agnieszka Plutecka; Urszula Rychlewska","Rhombimines-Cyclic Tetraimines of trans-1,2-Diaminocyclohexane Shaped by the Diaryl Ether Structural Motif","Journal of Organic Chemistry","2005","70","","10147","10150","10.1021/jo051687e","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020727","30.895","0.003","5.5887","0.0007","7.818","0.001","90","","93.066","0.009","90","","1348","0.3","198.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H12 F3 N O -","- C17 F3 N O -","- C68 F12 N4 O4 -","4","1","","Tsutomu Konno; Jungha Chae; Tomotsugu Miyabe; Takashi Ishihara","Regioselective One-Step Synthesis of 4-Fluoroalkylated Isoquinolines via Carbopalladation Reaction of Fluorine-Containing Alkynes","Journal of Organic Chemistry","2005","70","","10172","10174","10.1021/jo051700v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020728","10.9618","0.0005","14.605","0.0007","17.6987","0.0008","82.011","0.003","86.542","0.003","85.712","0.003","2794.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H40 B10 O4 P2 Pt -","- C16 H40 B10 O4 P2 Pt -","- C64 H160 B40 O16 P8 Pt4 -","4","2","","Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana","Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles","Journal of Organic Chemistry","2005","70","","10440","10446","10.1021/jo0517085","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020729","14.0198","0.0006","15.82","0.0007","16.3241","0.0005","90.049","0.002","114.665","0.002","114.321","0.0015","2932.3","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H156 B20 O8 P8 Pt4 -","- C84 H156 B20 O8 P8 Pt4 -","- C84 H156 B20 O8 P8 Pt4 -","1","0.5","","Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana","Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles","Journal of Organic Chemistry","2005","70","","10440","10446","10.1021/jo0517085","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020730","20.1146","0.0003","25.0555","0.0004","22.5939","0.0003","90","","99.0506","0.0008","90","","11245.1","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H168 B20 O10 P8 Pt4 -","- C90 H168 B20 O10 P8 Pt4 -","- C360 H672 B80 O40 P32 Pt16 -","4","1","","Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana","Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles","Journal of Organic Chemistry","2005","70","","10440","10446","10.1021/jo0517085","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020731","10.501","0.006","11.277","0.007","9.106","0.007","104.1","0.06","93.87","0.06","68.2","0.04","971","1","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","","Hiroyuki Suga; Yasutaka Ebiura; Kazuaki Fukushima; Akikazu Kakehi; Toshihide Baba","Efficient Catalytic Effects of Lewis Acids in the 1,3-Dipolar Cycloaddition Reactions of Carbonyl Ylides with Imines","Journal of Organic Chemistry","2005","70","","10782","10791","10.1021/jo051743b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020732","8.476","0.009","12.54","0.01","18.38","0.01","90","","95.71","0.08","90","","1943","3","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Hiroyuki Suga; Yasutaka Ebiura; Kazuaki Fukushima; Akikazu Kakehi; Toshihide Baba","Efficient Catalytic Effects of Lewis Acids in the 1,3-Dipolar Cycloaddition Reactions of Carbonyl Ylides with Imines","Journal of Organic Chemistry","2005","70","","10782","10791","10.1021/jo051743b","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020733","5.0172","0.0003","11.8925","0.0006","24.7383","0.0012","90","","90","","90","","1476.06","0.14","90","2","90","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Huw M. L. Davies; Simon J. Hedley; Brooks R. Bohall","Asymmetric Intermolecular C-H Functionalization of Benzyl Silyl Ethers Mediated by Chiral Auxiliary-Based Aryldiazoacetates and Chiral Dirhodium Catalysts","Journal of Organic Chemistry","2005","70","","10737","10742","10.1021/jo051747g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020734","10.1562","0.0008","10.4485","0.0008","19.7286","0.0015","90","","90","","90","","2093.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C88 H84 N4 O24 S4 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020735","11.5923","0.0008","17.0433","0.0012","17.9971","0.0013","90","","108.321","0.002","90","","3375.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O7 S2 -","- C35 H36 N2 O7 S2 -","- C140 H144 N8 O28 S8 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020736","15.3098","0.0013","15.6606","0.0013","12.3382","0.001","90","","91.245","0.002","90","","2957.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N2 O6 S2 -","- C32 H30 N2 O6 S2 -","- C128 H120 N8 O24 S8 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020737","7.6675","0.0008","13.814","0.0015","22.914","0.003","92.491","0.002","93.885","0.002","98.992","0.002","2388.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O4 S -","- C27 H25 N O4 S -","- C108 H100 N4 O16 S4 -","4","2","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020738","6.3576","0.0009","8.9534","0.0013","31.589","0.005","90","","91.829","0.003","90","","1797.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 F N O3 S -","- C19 H17 F N O3 S -","- C76 H68 F4 N4 O12 S4 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020739","20.5357","0.0016","11.4427","0.0009","20.5964","0.0015","90","","117.564","0.002","90","","4290.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C168 H176 N16 O48 S8 -","8","2","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020740","11.0446","0.001","12.4582","0.0012","14.1435","0.0013","90","","91.214","0.002","90","","1945.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020741","10.157","0.0004","10.07","0.0004","31.991","0.0013","90","","103.547","0.001","90","","3181","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O3 -","- C14 H20 N4 O3 -","- C112 H160 N32 O24 -","8","2","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020742","22.528","0.004","10.072","0.002","24.147","0.005","90","","101.265","0.004","90","","5373.4","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N8 O6 -","- C24 H32 N8 O6 -","- C192 H256 N64 O48 -","8","1","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020743","11.6506","0.0015","15.143","0.0019","8.9226","0.0011","90","","108.742","0.003","90","","1490.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 N4 O3 -","- C11 H13 N4 O3 -","- C44 H52 N16 O12 -","4","1","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020744","9.4903","0.0006","11.1867","0.0007","16.2401","0.001","84.059","0.001","78.766","0.001","82.3","0.001","1670.53","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H41 N10 O6 -","- C27 H41 N10 O6 -","- C54 H82 N20 O12 -","2","1","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020745","15.733","0.0008","11.6432","0.0006","19.0192","0.001","90","","102.185","0.001","90","","3405.5","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H18 N4 O3 S -","- C16 H18 N4 O3 S -","- C128 H144 N32 O24 S8 -","8","2","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020746","10.2504","0.0006","13.3758","0.0008","17.822","0.001","90.941","0.001","94.799","0.001","99.773","0.001","2398.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H72 N8 O6 S2 -","- C42 H72 N8 O6 S2 -","- C84 H144 N16 O12 S4 -","2","1","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020747","17","0.003","8.31","0.0017","15.24","0.003","90","","102.9","0.03","90","","2098.6","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N5 O3 S -","- C21 H21 N5 O3 S -","- C84 H84 N20 O12 S4 -","4","1","","Jian Liu; Raymond J. Patch; Carsten Schubert; Mark R. Player","Single-Step Syntheses of 2-Amino-7-chlorothiazolo[5,4-d]pyrimidines: Intermediates for Bivalent Thiazolopyrimidines","Journal of Organic Chemistry","2005","70","","10194","10197","10.1021/jo0517702","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020748","11.3626","0.0016","8.8591","0.0013","13.0108","0.0019","90","","99.29","0.002","90","","1292.5","0.3","273","2","273","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 -","- C34 H30 -","- C68 H60 -","2","0.5","","Lodovico Lunazzi; Andrea Mazzanti; Mirko Minzoni","Static and Dynamic Stereochemistry of the Conformational Atropisomers of Tetra(o-tolyl)benzene","Journal of Organic Chemistry","2005","70","","10062","10066","10.1021/jo051783f","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020749","5.2719","0.0001","8.0229","0.0001","30.5228","0.0003","90","","90","","90","","1290.99","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C52 H64 O12 S4 -","4","1","","M. Carmen Carreño; M. Jesús Sanz-Cuesta","Conjugate Additions of Me~2~CuLi to Enantiopure γ-Hydroxy-δ-sulfinyl and Sulfonyl Pentenoates","Journal of Organic Chemistry","2005","70","","10036","10045","10.1021/jo051788c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020750","9.37","0.02","6.782","0.003","15.72","0.03","90","","106.44","0.09","90","","958","3","150","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O8 -","- C20 H21 N O8 -","- C40 H42 N2 O16 -","2","1","","Dieter Enders; Achim Lenzen; Michael Backes; Carsten Janeck; Kelly Catlin; Marie-Isabelle Lannou; Jan Runsink; Gerhard Raabe","Asymmetric Total Synthesis of the 1-epi-Aglycon of the Cripowellins A and B","Journal of Organic Chemistry","2005","70","","10538","10551","10.1021/jo0518093","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020751","5.842","0.002","7.803","0.002","9.58","0.005","98.06","0.03","100.15","0.03","91.75","0.03","425","0.3","298.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 S2 -","- C10 H6 S2 -","- C20 H12 S4 -","2","1","","Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo","Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes","Journal of Organic Chemistry","2005","70","","10569","10571","10.1021/jo051812m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020752","5.7985","0.0006","7.9434","0.0008","9.864","0.001","97.41","0.01","101.48","0.01","91.567","0.009","440.87","0.09","298.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 Se2 -","- C10 H6 Se2 -","- C20 H12 Se4 -","2","1","","Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo","Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes","Journal of Organic Chemistry","2005","70","","10569","10571","10.1021/jo051812m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020753","5.822","0.002","8.122","0.002","10.292","0.003","95.85","0.02","102.59","0.02","91.3","0.02","472","0.2","298.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 Te2 -","- C10 H6 Te2 -","- C20 H12 Te4 -","2","1","","Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo","Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes","Journal of Organic Chemistry","2005","70","","10569","10571","10.1021/jo051812m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020754","10.096","0.002","10.316","0.002","12.523","0.003","71.918","0.003","78.502","0.003","80.289","0.003","1207","0.5","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 O Si -","- C26 H36 O Si -","- C52 H72 O2 Si2 -","2","1","","Asunción Barbero; Pilar Castreño; Gloria Fernández; Francisco J. Pulido","Intramolecular Ene Reaction of Epoxyallylsilanes: Synthesis of Allyl- and Vinylsilane-Functionalized Cyclohexanols","Journal of Organic Chemistry","2005","70","","10747","10752","10.1021/jo051868g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020755","10.807","0.0003","9.6599","0.0003","12.5622","0.0004","90","","113.068","0.0012","90","","1206.57","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 O2 P -","- C13 H15 O2 P -","- C52 H60 O8 P4 -","4","1","","Katherine S. Dunne; Fabrice Bisaro; Barbara Odell; Jean-Marc Paris; Véronique Gouverneur","Diastereoselective Ring-Closing Metathesis: Synthesis of P-Stereogenic Phosphinates from Prochiral Phosphinic Acid Derivatives","Journal of Organic Chemistry","2005","70","","10803","10809","10.1021/jo0518708","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020756","9.4409","0.0002","10.4204","0.0002","12.9663","0.0003","90","","110.814","0.0009","90","","1192.35","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 O2 P -","- C13 H15 O2 P -","- C52 H60 O8 P4 -","4","1","","Katherine S. Dunne; Fabrice Bisaro; Barbara Odell; Jean-Marc Paris; Véronique Gouverneur","Diastereoselective Ring-Closing Metathesis: Synthesis of P-Stereogenic Phosphinates from Prochiral Phosphinic Acid Derivatives","Journal of Organic Chemistry","2005","70","","10803","10809","10.1021/jo0518708","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020757","29.4897","0.0005","5.6348","0.0002","18.6928","0.0003","90","","98.2735","0.0007","90","","3073.83","0.13","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 O2 P -","- C18 H17 O2 P -","- C144 H136 O16 P8 -","8","2","","Katherine S. Dunne; Fabrice Bisaro; Barbara Odell; Jean-Marc Paris; Véronique Gouverneur","Diastereoselective Ring-Closing Metathesis: Synthesis of P-Stereogenic Phosphinates from Prochiral Phosphinic Acid Derivatives","Journal of Organic Chemistry","2005","70","","10803","10809","10.1021/jo0518708","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020758","18.9165","0.0002","19.0923","0.0003","26.6298","0.0005","90","","90","","90","","9617.6","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C93 H123 F9 N4 O12.5 -","- C93.1 H93 F9 N4 O12.5 -","- C372.4 H372 F36 N16 O50 -","4","1","","Ulrich Darbost; Xianshun Zeng; Michel Giorgi; Ivan Jabin","Optically Pure Calix[6]tris-ammoniums: Syntheses and Host-Guest Properties toward Neutral Guests","Journal of Organic Chemistry","2005","70","","10552","10560","10.1021/jo051886y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020759","8.931","0.002","5.4806","0.0012","11.847","0.003","90","","110.988","0.004","90","","541.4","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Scott E. Denmark; Shinji Fujimori; Son M. Pham","Lewis Base Catalyzed Aldol Additions of Chiral Trichlorosilyl Enolates and Silyl Enol Ethers","Journal of Organic Chemistry","2005","70","","10823","10840","10.1021/jo051930+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020760","10.1869","0.0009","5.016","0.0005","10.8921","0.001","90","","102.478","0.002","90","","543.41","0.09","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Scott E. Denmark; Shinji Fujimori; Son M. Pham","Lewis Base Catalyzed Aldol Additions of Chiral Trichlorosilyl Enolates and Silyl Enol Ethers","Journal of Organic Chemistry","2005","70","","10823","10840","10.1021/jo051930+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020761","18.12","0.007","6.607","0.002","12.804","0.005","90","","107.072","0.005","90","","1465.4","0.9","300.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 O Si -","- C12 H20 N2 O Si -","- C48 H80 N8 O4 Si4 -","4","1","","Seigo Okugawa; Hyuma Masu; Kentaro Yamaguchi; Kei Takeda","Nitrile Anion Cyclization with Epoxysilanes Followed by Brook Rearrangement/Ring-Opening of Cyclopropane Nitriles/Alkylation","Journal of Organic Chemistry","2005","70","","10515","10523","10.1021/jo0519413","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020762","22.0841","0.0007","10.4436","0.0003","17.3447","0.0005","90","","105.705","0.002","90","","3851","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 Se -","- C23 H20 N2 Se -","- C184 H160 N16 Se8 -","8","2","","Jan M. Pedersen; W. Russell Bowman; Mark R. J. Elsegood; Anthony J. Fletcher; Peter J. Lovell","Synthesis of Ellipticine: A Radical Cascade Protocol to Aryl- and Heteroaryl-Annulated[b]carbazoles","Journal of Organic Chemistry","2005","70","","10615","10618","10.1021/jo0519920","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020763","7.1979","0.001","9.1954","0.001","17.7887","0.001","98.044","0.01","101.57","0.01","98.183","0.01","1124.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 Co2 Cr O11 -","- C20 H10 Co2 Cr O11 -","- C40 H20 Co4 Cr2 O22 -","2","1","","Marta Rosillo; Gema Domínguez; Luis Casarrubios; Javier Pérez-Castells","Arene-Chromium Tricarbonyl Complexes in the Pauson-Khand Reaction","Journal of Organic Chemistry","2005","70","","10611","10614","10.1021/jo0519965","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020764","23.36","0.002","28.872","0.003","8.928","0.001","90","","98.553","0.002","90","","5954.5","1","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.75 H37.25 F3 N4 O5.38 S -","- C22 H17 F3 N4 O2 S -","- C176 H136 F24 N32 O16 S8 -","8","1","","Thorfinnur Gunnlaugsson; Paul E. Kruger; Paul Jensen; Juliann Tierney; Haslin Dato Paduka Ali; Gillian M. Hussey","Colorimetric ""Naked Eye"" Sensing of Anions in Aqueous Solution","Journal of Organic Chemistry","2005","70","","10875","10878","10.1021/jo0520487","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4027831","7.247","0.003","9.391","0.003","14.271","0.005","94.612","0.006","99.09","0.006","108.824","0.006","898.7","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 N Pt Re S4 -","- C10 H26 N Pt Re S4 -","- C20 H52 N2 Pt2 Re2 S8 -","2","1","","Haijun Yao; Thomas B. Rauchfuss; Scott R. Wilson","[Me~8~Pt~4~ReS~4~]^-^ and related PtMe~2~-containing clusters derived from tetrathiorhenate","Journal of Organometallic Chemistry","2005","690","1","193","196","10.1016/j.jorganchem.2004.09.010","","","0.71073","MoKα","","0.1133","0.0659","","","0.1539","0.1723","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028889","10.6695","0.0008","18.7483","0.0014","23.9407","0.0018","90","","98.397","0.002","90","","4737.6","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H47.25 Cl5.75 N4 O12 P Si -","- C39 H47.25 Cl5.75 N4 O12 P Si -","- C156 H189 Cl23 N16 O48 P4 Si4 -","4","2","","Le Clézio, Ingrid; Gornitzka, Heinz; Escudier, Jean-Marc; Vigroux, Alain","Constrained Nucleic Acids (CNA). Part 2. Synthesis of Conformationally Restricted Dinucleotide Units Featuring Noncanonical α/β/γ or δ/ε/ζ Torsion Angle Combinations","The Journal of Organic Chemistry","2005","70","5","1620","1629","10.1021/jo048136t","","","0.71073","MoKα","","0.1078","0.0614","","","0.1258","0.1454","","","","","","1.001","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028892","9.6373","0.0016","18.901","0.003","11.2859","0.0018","90","","109.531","0.003","90","","1937.5","0.5","293","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 B2 F8 N2 S4 -","- C36 H36 B2 F8 N2 S4 -","- C72 H72 B4 F16 N4 S8 -","2","0.5","","Shine, Henry J.; Rangappa, Paramashivappa; Marx, John N.; Shelly, Dennis C.; Ould-Ely, Teyeb; Whitmire, Kenton H.","Adducts of Thianthrene- and Phenoxathiin Cation Radical Salts with Symmetrical Alkynes. Structure and Formation of Cumulenes on Alumina Leading to α-Diketones, α-Hydroxyalkynes, and α-Acetamidoalkynes","The Journal of Organic Chemistry","2005","70","10","3877","3883","10.1021/jo050198b","","","0.71073","MoKα","","0.157","0.0878","","","0.2134","0.2444","","","","","","1.201","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4029681","6.211","0.002","9.483","0.002","17.825","0.003","90","","90","","90","","1049.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,3S)-1-Phenyl-2-methyl-1,3-butanediol-(1R,2S,3S)-syn,anti-5","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Abate, Agnese; Brenna, Elisabetta; Fuganti, Claudio; Gatti, Francesco G.; Giovenzana, Tommaso; Malpezzi, Luciana; Serra, Stefano","Chirality and fragrance chemistry: stereoisomers of the commercial chiral odorants Muguesia and Pamplefleur.","The Journal of organic chemistry","2005","70","4","1281","1290","10.1021/jo048445j","","","1.54179","CuKα","","0.0964","0.0623","","","0.1527","0.1769","","","","","","1.04","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4031271","11.4446","","9.9304","","14.6192","","90","","91.423","","90","","1660.95","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Fe (O2 C H)2 (H C O2 H)0.3333","","- C2.3333 H2.6666 Fe O4.6666 -","- C2.33333 H2 Fe O4.66667 -","- C28 H24 Fe12 O56 -","12","3","","Viertelhaus, M.; Clerac, R.; Adler, P.; Powell, A.K.; Anson, C.E.","Iron(II) formate [Fe (O2 C H)2].1/3H C O2 H: a mesoporous magnet - solvothermal syntheses and crystal structures of the isomorphous framework metal(II) formates [M (O2 C H)2].n(Solvent) (M = Fe, Co, Ni, Zn, Mg)","European Journal of Inorganic Chemistry","2005","2005","","692","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031272","11.2727","","9.8335","","14.4249","","90","","91.242","","90","","1598.63","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Co (C H O O)2) (H C O O H)0.3333 (H2 O)0.3333","","- C2.3333 H3.3332 Co O4.9999 -","- C2.33333 H2 Co O5 -","- C28 H24 Co12 O60 -","12","3","","Viertelhaus, M.; Adler, P.; Anson, C.E.; Clerac, R.; Powell, A.K.","Iron(II) formate [Fe (O2 C H)2].1/3H C O2 H: a mesoporous magnet - solvothermal syntheses and crystal structures of the isomorphous framework metal(II) formates [M (O2 C H)2] * n(Solvent) (M= Fe, Co, Ni, Zn, Mg)","European Journal of Inorganic Chemistry","2005","2005","","692","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031273","11.3407","","9.7856","","14.4334","","90","","91.449","","90","","1601.24","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Zn (C H O O)2) (H C O O H)0.3333","","- C2.3333 H2.6666 O4.6666 Zn -","- C2.33333 H2 O4.46667 Zn -","- C28 H24 O53.6 Zn12 -","12","3","","Viertelhaus, M.; Adler, P.; Clerac, R.; Anson, C.E.; Powell, A.K.","Iron(II) formate [Fe (O2 C H)2].1/3H C O2 H: a mesoporous magnet - solvothermal syntheses and crystal structures of the isomorphous framework metal(II) formates [M (O2 C H)2] * n(Solvent) (M= Fe, Co, Ni, Zn, Mg)","European Journal of Inorganic Chemistry","2005","2005","","692","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031352","3.8221","0.0002","16.9654","0.0009","9.0963","0.0004","90","","95.104","0.004","90","","587.5","0.05","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C2 H6 N6 O2 -","- C2 H6 N6 O2 -","- C8 H24 N24 O8 -","4","1","","A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; V.A. Revenko; R.S. Stepanov","Nitroimines: II. Structure of Nitroamino-1,2,4-triazoles","Russian Journal of Organic Chemistry","2005","41","6","910","915","10.1007/s11178-005-0265-0","","","1.54056","","","0.0256","0.0253","","","0.0657","0.0659","","","","","","1.037","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"4031353","5.1186","0.0002","13.5688","0.0009","10.063","0.0006","90","","99.428","0.004","90","","689.47","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N5 O3 -","- C3 H7 N5 O3 -","- C12 H28 N20 O12 -","4","1","","A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; V.A. Revenko; R.S. Stepanov","Nitroimines: II. Structure of Nitroamino-1,2,4-triazoles","Russian Journal of Organic Chemistry","2005","41","6","910","915","10.1007/s11178-005-0265-0","","","1.54056","","","0.0455","0.0366","","","0.1015","0.1057","","","","","","1.133","","","","has coordinates,has Fobs","153520","2020-10-21","18:00:00",""
"4031569","12.9709","","38.72","","21.4221","","90","","90","","90","","10758.9","","","","","","","","","","","","","7","P b c m","-P 2c 2b","57","","K4 Na7 ((Si Fe3 W9 (O H)3 O34)2 (O H)3) O40.8","","- Fe6 H9 K4 Na7 O117.8 Si2 W18 -","- Fe6 K4 Na7 O117.8 Si2 W18 -","- Fe24 K16 Na28 O471.2 Si8 W72 -","4","0.5","","Anderson, T.M.; Ammam, M.; Cao, R.; Neiwert, W.A.; Hardcastle, K.I.; Hill, C.L.; Nadjo, L.; Keita, B.","Structural and Electrochemical Studies of Dimerization and Rotational Isomerization in Multi-Iron Silicotungstates","European Journal of Inorganic Chemistry","2005","2005","","1770","1775","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031571","11.814","","11.814","","29.974","","90","","90","","120","","3623.01","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bi5 (Ga Cl4)3","","- Bi5 Cl12 Ga3 -","- Bi5 Cl12 Ga3 -","- Bi30 Cl72 Ga18 -","6","0.333333","","Lindsjoe, M.; Kloo, L.; Fischer, A.","Improvements of and insights into the isolation of bismuth polycations from benzene solution - single-crystal structure determinations of Bi8 [Ga Cl4]2 and Bi5 [Ga Cl4]3","European Journal of Inorganic Chemistry","2005","2005","","670","675","","","","","","","","","","","","","","","","","","","","","","has coordinates","161457","2020-10-21","18:00:00",""
"4031572","17.76","","17.76","","12.979","","90","","90","","120","","3545.34","","","","","","","","","","","","","3","P 63","P 6c","173","","Bi8 (Ga Cl4)2","","- Bi8 Cl8 Ga2 -","- Bi8 Cl8 Ga2 -","- Bi48 Cl48 Ga12 -","6","1","","Lindsjoe, M.; Fischer, A.; Kloo, L.","Improvements of and insights into the isolation of bismuth polycations from benzene solution - single-crystal structure determinations of Bi8 [Ga Cl4]2 and Bi5 [Ga Cl4]3","European Journal of Inorganic Chemistry","2005","2005","","670","675","","","","","","","","","","","","","","","","","","","","","","has coordinates","161463","2020-10-21","18:00:00",""
"4031573","12.169","","5.441","","9.164","","90","","90","","90","","606.762","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na2 (Fe (H P O3)2)","","- Fe H2 Na2 O6 P2 -","- Fe H2 Na2 O6 P2 -","- Fe4 H8 Na8 O24 P8 -","4","0.5","","Liu, W.; Chen, H.-H.; Yang, X.X.; Zhao, J.T.","Two novel transition-metal phosphite compounds with 4-, 6- and 12-membered rings: hydrothermal syntheses, crystal structures and magnetic properties of Na2 [M (H P O3)2] (M = Fe, Co)","European Journal of Inorganic Chemistry","2005","2005","","946","951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031574","12.091","","5.3998","","9.115","","90","","90","","90","","595.109","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na2 (Co (H P O3)2)","","- Co H2 Na2 O6 P2 -","- Co H2 Na2 O6 P2 -","- Co4 H8 Na8 O24 P8 -","4","0.5","","Liu, W.; Chen, H.-H.; Zhao, J.T.; Yang, X.X.","Two novel transition-metal phosphite compounds with 4-, 6- and 12-membered rings: hydrothermal syntheses, crystal structures and magnetic properties of Na2 [M (H P O3)2] (M = Fe, Co)","European Journal of Inorganic Chemistry","2005","2005","","946","951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031595","23.6503","","23.6503","","25.2697","","90","","90","","120","","12240.6","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","K4 (S4 (Re F3)4) (H2 O)3.375","","- F12 H6.75 K4 O3.375 Re4 S4 -","- F12 K4 O3.375 Re4 S4 -","- F288 K96 O81 Re96 S96 -","24","1.33333","","Mironov, Yu.V.; Fedorov, V.E.; Naumov, D.Yu.; Yarovoi, S.S.; Simon, A.; Kozlova, S.G.; Kuratieva, N.V.","First eamples of chalcofluoride rhenium cluster complexes with cubane-like anions (Re4 Q4 F12)4- (Q= S, Se)","European Journal of Inorganic Chemistry","2005","2005","","2476","2479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031596","10.6451","","14.6853","","16.9349","","66.842","","84.846","","85.574","","2421.69","","","","","","","","","","","","","6","P -1","-P 1","2","","K4 (Se4 (Re F3)4) (H2 O)6","","- F12 H12 K4 O6 Re4 Se4 -","- F12 K4 O6 Re4 Se4 -","- F48 K16 O24 Re16 Se16 -","4","2","","Mironov, Yu.V.; Yarovoi, S.S.; Naumov, D.Yu.; Kuratieva, N.V.; Simon, A.; Kozlova, S.G.; Fedorov, V.E.","First eamples of chalcofluoride rhenium cluster complexes with cubane-like anions (Re4 Q4 F12)4- (Q= S, Se)","European Journal of Inorganic Chemistry","2005","2005","","2476","2479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031627","7.4996","","7.5424","","7.6541","","102.154","","110.228","","100.874","","380.672","","","","","","","","","","","","","5","P -1","-P 1","2","","(N H4)2 (Pt2 (S O4)4 (H2 O)2)","","- H12 N2 O18 Pt2 S4 -","- H12 N2 O18 Pt2 S4 -","- H12 N2 O18 Pt2 S4 -","1","0.5","","Pley, M.; Wickleder, M.S.","Monomers, chains and layers of [Pt2 (S O4)4] units in the crystal structures of the platinum(III) sulfates (N H4)2 [Pt2 (S O4)4 (H2 O)2], K4 [Pt2 (S O4)5] and Cs [Pt2 (S O4)3 (H S O4)]","European Journal of Inorganic Chemistry","2005","2005","","529","535","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4031628","17.2482","","8.8128","","9.3513","","90","","100.397","","90","","1398.1","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cs (Pt2 (S O4)3 (H S O4))","","- Cs H O16 Pt2 S4 -","- Cs H O16 Pt2 S4 -","- Cs4 H4 O64 Pt8 S16 -","4","1","","Pley, M.; Wickleder, M.S.","Monomers, chains and layers of [Pt2 (S O4)4] units in the crystal structures of the platinum(III) sulfates (N H4)2 [Pt2 (S O4)4 (H2 O)2], K4 [Pt2 (S O4)5] and Cs [Pt2 (S O4)3 (H S O4)]","European Journal of Inorganic Chemistry","2005","2005","","529","535","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031629","9.7559","","13.3177","","14.9097","","101.156","","96.278","","102.849","","1829.3","","","","","","","","","","","","","4","P -1","-P 1","2","","K4 (Pt2 (S O4)5)","","- K4 O20 Pt2 S5 -","- K4 O20 Pt2 S5 -","- K16 O80 Pt8 S20 -","4","2","","Pley, M.; Wickleder, M.S.","Monomers, chains and layers of [Pt2 (S O4)4] units in the crystal structures of the platinum(III) sulfates (N H4)2 [Pt2 (S O4)4 (H2 O)2], K4 [Pt2 (S O4)5] and Cs [Pt2 (S O4)3 (H S O4)]","European Journal of Inorganic Chemistry","2005","2005","","529","535","","","","","","","","","","","","","","","","","","","","","","has coordinates","164389","2020-10-21","18:00:00",""
"4033569","6.8055","0.0005","10.4899","0.0007","11.1946","0.0008","80.269","0.006","87.949","0.006","88.337","0.006","786.95","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- c11 cl h8 n5 o6 re -","- C11 H8 Cl N5 O6 Re -","- C22 H16 Cl2 N10 O12 Re2 -","2","1","","Illán-Cabeza, Nuria A.; García-García, Antonio R.; Moreno-Carretero, Miguel N.; Martínez-Martos, José M.; Ramírez-Expósito, María J.","Synthesis, characterization and antiproliferative behavior of tricarbonyl complexes of rhenium(I) with some 6-amino-5-nitrosouracil derivatives: Crystal structure of fac-[ReCl(CO)3(DANU-N5,O4)] (DANU=6-amino-1,3-dimethyl-5-nitrosouracil)","Journal of Inorganic Biochemistry","2005","99","8","1637","","10.1016/j.jinorgbio.2005.05.003","","","0.71073","mokα","","0.0744","0.0362","","","0.058","0.0683","","","","","","1.029","","","","has coordinates","207913","2020-10-21","18:00:00",""
"4060000","8.574","0.002","15.235","0.004","28.536","0.007","90","","90","","90","","3727.6","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 O6 -","- C42 H52 O6 -","- C168 H208 O24 -","4","1","","Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai","Total Synthesis of Absinthin","Journal of the American Chemical Society","2005","127","","18","19","10.1021/ja0439219","","","0.71073","MoKα","","0.1101","0.0631","","","0.1267","0.1459","","","","","","0.929","","","","has coordinates","277847","2022-09-14","22:27:41",""
"4060001","9.9596","0.0015","11.4051","0.0018","28.487","0.004","90","","90","","90","","3235.8","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O8 -","- C34 H44 O8 -","- C136 H176 O32 -","4","1","","Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai","Total Synthesis of Absinthin","Journal of the American Chemical Society","2005","127","","18","19","10.1021/ja0439219","","","0.71073","MoKα","","0.1988","0.0564","","","0.1031","0.1387","","","","","","0.875","","","","has coordinates","277847","2022-09-14","22:27:43",""
"4060002","9.081","0.002","12.134","0.003","13.362","0.003","73.149","0.004","71.641","0.003","68.191","0.003","1272.2","0.5","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 F4 N6 Pt2 -","- C28 H18 F4 N6 Pt2 -","- C56 H36 F8 N12 Pt4 -","2","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0511","0.0404","","","0.1036","0.1085","","","","","","1.026","","","","has coordinates","277847","2022-09-14","22:27:45",""
"4060003","10.157","0.003","10.574","0.003","15.057","0.004","103.412","0.004","100.633","0.004","101.514","0.004","1495.6","0.6","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 F4 N6 Pt2 -","- C32 H26 F4 N6 Pt2 -","- C64 H52 F8 N12 Pt4 -","2","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0736","0.0558","","","0.1499","0.161","","","","","","1.07","","","","has coordinates","277847","2022-09-14","22:27:47",""
"4060004","10.0382","0.0018","20.024","0.004","17.864","0.003","90","","97.633","0.003","90","","3558.9","1.1","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 F4 N6 Pt2 -","- C38 H38 F4 N6 Pt2 -","- C152 H152 F16 N24 Pt8 -","4","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0578","0.0396","","","0.1001","0.1126","","","","","","1.043","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060005","18.549","0.004","10.512","0.002","21.43","0.004","90","","101.912","0.003","90","","4088.7","1.4","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 F4 N6 Pt2 -","- C44 H50 F4 N6 Pt2 -","- C176 H200 F16 N24 Pt8 -","4","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0492","0.0383","","","0.0914","0.1019","","","","","","1.062","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060006","8.5663","0.0009","9.4344","0.001","12.8913","0.0013","90.838","0.002","95.492","0.002","97.262","0.002","1028.37","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 B F2 N5 Pt -","- C21 H22 B F2 N5 Pt -","- C42 H44 B2 F4 N10 Pt2 -","2","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0377","0.0341","","","0.0705","0.0714","","","","","","1.145","","","","has coordinates","277847","2022-09-14","22:27:47",""
"4060007","17.8302","0.0011","23.4425","0.0014","9.1356","0.0006","90","","90","","90","","3818.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H21 F6 N3 S -","- C17 H21 F6.003 N3 S -","- C136 H168 F48.024 N24 S8 -","8","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.71073","MoKα","","0.0777","0.0675","","","0.1653","0.1731","","","","","","1.057","","","","has coordinates,has disorder","277847","2022-09-14","22:27:49",""
"4060008","8.34","0.01","11.15","0.01","8.538","0.008","90","","106.8","0.04","90","","760","1","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.029","","","","0.04","","","","","","0.922","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060009","11.367","0.006","11.559","0.004","26.73","0.01","90","","90.02","0.02","90","","3511","2","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","4","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.052","","","","0.099","","","","","","0.823","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060010","8.509","0.005","11.225","0.008","23.33","0.01","90","","90","","90","","2228","2","93.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br Cl3 N O5 -","- C21 H19 Br Cl3 N O5 -","- C84 H76 Br4 Cl12 N4 O20 -","4","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.027","","","","0.071","","","","","","1.025","","","","has coordinates","277847","2022-09-14","22:27:49",""
"4060011","14.09","0.0001","15.066","0.0002","18.405","0.0002","70.22","0.001","87.22","0.001","84.14","0.001","3656.88","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H67 Cl O18 -","- C69 H67 Cl O18 -","- C138 H134 Cl2 O36 -","2","1","","Taizoon Canteenwala; Prashant A. Padmawar; Long Y. Chiang","Intense Near-Infrared Optical Absorbing Emerald Green [60]Fullerenes","Journal of the American Chemical Society","2005","127","","26","27","10.1021/ja044409q","","","0.71073","MoKα","","0.1366","0.1136","","0.3839","0.346","","","","1.033","1.103","1.103","","","","","has coordinates","277847","2022-09-14","22:27:49",""
"4060012","9.796","0.002","12.566","0.005","15.497","0.005","71.611","0.013","86.79","0.02","83.47","0.02","1798.1","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H16 B2 F24 O4 -","- C34 H16 B2 F24 O4 -","- C68 H32 B4 F48 O8 -","2","1","","Stewart P. Lewis; Lee D. Henderson; Brett D. Chandler; Masood Parvez; Warren E. Piers; Scott Collins","Aqueous Suspension Polymerization of Isobutene Initiated by 1,2-C6F4[B(C6F5)2]2","Journal of the American Chemical Society","2005","127","","46","47","10.1021/ja0445387","","x-ray","0.71073","MoKα","","0.0933","0.0578","","","0.1475","0.1703","","","","","","1.015","","","","has coordinates","277847","2022-09-14","22:27:51",""
"4060013","11.615","0.003","6.6412","0.0019","14.076","0.004","90","","95.389","0.005","90","","1081","0.5","173","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","04017a","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Jian Huang; Richard P. Hsung","Chiral Lewis Acid-Catalyzed Highly Enantioselective [4 + 3] Cycloaddition Reactions of Nitrogen-Stabilized Oxyallyl Cations Derived from Allenamides","Journal of the American Chemical Society","2005","127","","50","51","10.1021/ja044760b","","","","","","0.0719","0.0528","","","0.1276","0.1422","","","","","","1.092","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060014","9.2454","0.0008","34.141","0.003","10.872","0.001","90","0.002","109.476","0.002","90","0.002","3235.5","0.5","175.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H59 Ce -","- C34 H58 Ce F -","- C136 H232 Ce4 F4 -","4","1","","Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen","Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies","Journal of the American Chemical Society","2005","127","","279","292","10.1021/ja0451012","","","","","","","0.0291","","","","0.0654","","","","","","1.306","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060015","10.14","0.0009","12.213","0.001","15.632","0.001","85.86","0.001","81.146","0.001","78.336","0.001","1871.7","0.3","122.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H58 Ce F5 -","- C40 H58 Ce F5 X0 -","- C80 H116 Ce2 F10 X0 -","2","1","","Maron, Laurent; Werkema, Evan L.; Perrin, Lionel; Eisenstein, Odile; Andersen, Richard A.","Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies","Journal of the American Chemical Society","2005","127","","279","292","10.1021/ja0451012","","","0.7107","MoKα","","","0.0404","","","","0.1011","","","","","","1.52","","","","has coordinates","277847","2022-09-14","22:27:51",""
"4060016","16.487","0.003","22.667","0.005","18.672","0.004","90","","90","","90","","6978","2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H55 Hf P Si6 -","- C25 H55 Hf P Si6 -","- C200 H440 Hf8 P8 Si48 -","8","1","","Roland Fischer; Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Synthesis of a Hafnocene Disilene Complex","Journal of the American Chemical Society","2005","127","","70","71","10.1021/ja0464387","","","0.71073","MoKα","","0.1059","0.071","","","0.1264","0.1384","","","","","","1.108","","","","has coordinates","277847","2022-09-14","22:27:54",""
"4060017","21.5254","0.0013","21.5254","0.0013","14.173","0.0012","90","","90","","120","","5687.2","0.7","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10.17 H11 Cl0.25 N O P2 -","- C10.1667 H15 Cl0.253333 N O P2 -","- C183 H270 Cl4.56 N18 O18 P36 -","18","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.7107","MoKα","","0.1287","0.0628","","","0.1682","0.1949","","","","","","0.987","","","","has coordinates","270066","2021-10-23","16:45:43",""
"4060018","8.6521","0.0008","17.2931","0.0015","23.187","0.002","90","","90","","90","","3469.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O5 P2 W -","- C14 H15 N O5 P2 W -","- C112 H120 N8 O40 P16 W8 -","8","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.71073","MoKα","","0.0756","0.0453","","","0.0898","0.0984","","","","","","1.059","","","","has coordinates","277847","2022-09-14","22:27:56",""
"4060019","6.5297","0.0004","13.6202","0.0009","19.8064","0.0013","90","","90","","90","","1761.5","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Br N O4 P2 Re -","- C13 H15 Br N O4 P2 Re -","- C52 H60 Br4 N4 O16 P8 Re4 -","4","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.71073","MoKα","","0.0301","0.0273","","","0.0651","0.0662","","","","","","1.065","","","","has coordinates","277847","2022-09-14","22:27:58",""
"4060020","7.5359","0.0012","14.847","0.002","7.8287","0.0012","90","","90","","90","","875.9","0.2","673","2","673","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge1.95 Si2.05 -","- Gd5 Ge1.955 Si2.045 -","- Gd20 Ge7.82 Si8.18 -","4","0.5","","Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller","On the High-Temperature Phase Transition of Gd5Si2Ge2","Journal of the American Chemical Society","2005","127","","317","324","10.1021/ja048679k","","","0.71073","MoKα","","0.0506","0.0377","","","0.0766","0.0809","","","","","","1.011","","","","has coordinates","277847","2022-09-14","22:27:58",""
"4060021","7.5856","0.0009","14.81","0.0016","7.7855","0.0009","90","","90","","93.223","0.002","873.26","0.17","293","2","293","2","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","","","- Gd5 Ge1.99 Si2.02 -","- Gd5 Ge1.983 Si2.017 -","- Gd20 Ge7.932 Si8.068 -","4","1","","Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller","On the High-Temperature Phase Transition of Gd5Si2Ge2","Journal of the American Chemical Society","2005","127","","317","324","10.1021/ja048679k","","","0.71073","MoKα","","0.0493","0.0311","","","0.0545","0.0578","","","","","","0.967","","","","has coordinates","277847","2022-09-14","22:28:00",""
"4060022","8.73","0.004","14.057","0.007","16.033","0.008","90","","100.229","0.006","90","","1936.26","","","","","","","","","","","","","6","P 1 21/c 1","","","","","","- C19 H25 F3 N2 O Pd -","- C76 F12 N8 O4 Pd4 -","- C76 F12 N8 O4 Pd4 -","","","","Kohtaro Osakada; Hiroyuki Onodera; Yasushi Nishihara","Diarylpalladium Complexes with a Cis Structure. Formation via Transmetalation of Arylboronic Acids with an Aryliodopalladium Complex and Intramolecular Coupling of the Aryl Ligands, Affording Unsymmetrical Biaryls","Organometallics","2005","24","","190","192","10.1021/om049217i","","","","","","","","","","","","","","","","","","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060023","9.033","0.003","24.752","0.008","13.027","0.004","90","","104.991","0.006","90","","2813.6","1.6","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","[Cu2I2(PCP)]","","","- C53 H48 Cl4 Cu2 Fe2 I2 N2 P2 -","- C52.966 H47.932 Cl3.932 Cu2 Fe2 I2 N2 P2 -","- C105.932 H95.864 Cl7.864 Cu4 Fe4 I4 N4 P4 -","2","1","","Sebastian Gischig; Antonio Togni","A Dinuclear Copper(I) Complex Containing a Bridging Chiral Tridentate Carbene Ligand","Organometallics","2005","24","","203","205","10.1021/om049097e","","x-ray","0.71073","MoKα","","0.0436","0.0395","","","0.1012","0.1041","","","","","","1.016","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060024","10.0724","0.0014","11.2094","0.0017","13.6356","0.0019","86.868","0.011","71.156","0.01","80.829","0.01","1438.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H19 Br2 Cl2 Co F6 N3 -","- C24 H19 Br2 Cl2 Co F6 N3 -","- C48 H38 Br4 Cl4 Co2 F12 N6 -","2","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","0.71073","MoKα","","0.0887","0.0465","","","0.0952","0.1075","","","","","","0.968","","","","has coordinates,has disorder","178489","2020-10-21","18:00:00",""
"4060025","15.8359","0.0019","18.0027","0.0018","20.0598","0.0017","90","","90","","90","","5718.8","1","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H17 Br2 Cl2 Co F8 N3 -","- C24 H17 Br2 Cl2 Co F8 N3 -","- C192 H136 Br16 Cl16 Co8 F64 N24 -","8","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","0.71073","MoKα","","0.1051","0.0522","","","0.1007","0.114","","","","","","0.962","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060026","15.3156","0.0011","11.2916","0.0016","15.7652","0.0014","90","","97.315","0.007","90","","2704.2","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H16 Br2 Cl Co F8 N3 -","- C23.5 H16 Br2 Cl Co F8 N3 -","- C94 H64 Br8 Cl4 Co4 F32 N12 -","4","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","1.54178","CuKα","","0.0727","0.055","","","0.1389","0.1494","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060027","15.1794","0.0012","11.3447","0.0006","15.9514","0.0012","90","","98.358","0.007","90","","2717.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H18 Br2 Co F8 N3 O0.5 -","- C24.5 H18 Br2 Co F8 N3 O0.5 -","- C98 H72 Br8 Co4 F32 N12 O2 -","4","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","1.54178","CuKα","","0.0665","0.0458","","","0.1041","0.1117","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060028","10.0756","0.0006","11.2235","0.0003","13.7022","0.0006","87.189","0.003","71.191","0.004","81.496","0.004","1450.62","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H19 Br2 Cl2 F6 Fe N3 -","- C24 H19 Br2 Cl2 F6 Fe N3 -","- C48 H38 Br4 Cl4 F12 Fe2 N6 -","2","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","1.54178","CuKα","","0.0539","0.0412","","","0.0976","0.103","","","","","","1.044","","","","has coordinates,has disorder","178489","2020-10-21","18:00:00",""
"4060029","15.962","0.003","17.976","0.003","20.154","0.002","90","","90","","90","","5782.7","1.6","203","2","203","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H17 Br2 Cl2 F8 Fe N3 -","- C24 H17 Br2 Cl2 F8 Fe N3 -","- C192 H136 Br16 Cl16 F64 Fe8 N24 -","8","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","0.71073","MoKα","","0.1116","0.0513","","","0.0884","0.1019","","","","","","0.966","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060030","13.382","0.006","13.436","0.006","14.294","0.007","89.879","0.008","79.459","0.008","74.784","0.007","2435","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Hexakis[3-(trichlorosilyl)propyl]benzene","Hexakis[3-(trichlorosilyl)propyl]benzene","","- C24 H36 Cl18 Si6 -","- C24 H36 Cl18 Si6 -","- C48 H72 Cl36 Si12 -","2","1","","Kyung Mi Kim; Jeong Hyun Kim; Do Hyun Moon; Myoung Soo Lah; Il Nam Jung; Bok Ryul Yoo","Friedel-Crafts Peralkylation of Benzene with -Chloroalkyltrichlorosilanes: One-Pot Synthesis of Polyfunctionalized Hexakis[-(trichlorosilyl)alkyl]benzenes","Organometallics","2005","24","","226","230","10.1021/om0495933","","","0.71073","MoKα","","0.1773","0.1319","","","0.346","0.3743","","","","","","1.074","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060031","27.0551","0.0008","17.845","0.0005","19.0419","0.0008","90","","95.537","0.001","90","","9150.5","0.5","150","","150","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","[ScCl{(2-C5H4N)CH2N{2-O-3,5-C6H2(t-Bu)2}2}(py)] . (C6H6)","","- C47 H61 Cl N3 O2 Sc -","- C47 H61 Cl N3 O2 Sc -","- C376 H488 Cl8 N24 O16 Sc8 -","8","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.0667","","","","0.0882","","","","","","1.0632","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060032","11.7034","0.0001","12.0006","0.0001","18.5464","0.0002","89.9518","0.0006","84.0259","0.0006","88.0933","0.0005","2589.21","0.04","150","","150","","","","","","","","?","6","P -1","-P 1","2","","[Sc2{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2Me2)}2}2Cl2] . 2(CH2Cl2)","","- C50 H56 Cl6 N4 O4 Sc2 -","- C50 H56 Cl6 N4 O4 Sc2 -","- C100 H112 Cl12 N8 O8 Sc4 -","2","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","0.0579","0.0387","","0.0456","0.0398","0.0398","","","","","","1.0799","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060033","14.4214","0.0003","17.2881","0.0003","22.0078","0.0006","107.267","0.0006","106.516","0.0007","91.0214","0.0008","4992.1","0.2","150","","150","","","","","","","","?","6","P -1","-P 1","2","","[Y{(2-C5H4N)CH2N{2-O-3,5-C6H2(t-Bu)2}2}(py)(mu-Cl)]2 . 3 C6H6","","- C100 H128 Cl2 N6 O4 Y2 -","- C100 H128 Cl2 N6 O4 Y2 -","- C200 H256 Cl4 N12 O8 Y4 -","2","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.0762","","","","0.0629","","","","","","0.9891","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060034","27.2581","0.0005","13.1736","0.0003","24.6155","0.0007","90","","122.04","0.0009","90","","7492.7","0.3","150","","150","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","[Ti{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2(t-Bu)2)}2}Cl2] . 0.5(CH2Cl2)","","- C36.5 H51 Cl3 N2 O2 Ti -","- C36.5 H51 Cl3 N2 O2 Ti -","- C292 H408 Cl24 N16 O16 Ti8 -","8","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","0.1096","0.0698","","0.1139","0.0842","0.0842","","","","","","0.9424","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060035","15.7447","0.0007","9.0987","0.0004","24.7923","0.0016","90","","92.451","0.0023","90","","3548.4","","150","","150","","","","","","","","[TiCl4(THF)2] + K2[{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2Me2)}2]","6","P 1 21/n 1","-P 2yn","14","","[TiCl2{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2Me2)}2] . 2.5(C6H6)","","- C39 H41 Cl2 N2 O2 Ti -","- C39 H41 Cl2 N2 O2 Ti -","- C156 H164 Cl8 N8 O8 Ti4 -","4","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.0581","","","0.0641","","","","","0.5458","0.5458","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060036","10.1066","0.0003","10.1244","0.0003","19.602","0.0008","104.228","0.001","97.719","0.001","95.997","0.002","1906.8","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","[Ti{(2-C5H4N)CH2N{2-O-3,5-C6H3(t-Bu)2}2}(NMe2)2]","","- C40 H62 N4 O2 Ti -","- C40 H62 N4 O2 Ti -","- C80 H124 N8 O4 Ti2 -","2","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.0528","","","","0.048","","","","","","0.9979","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060037","10.905","0.0002","15.6222","0.0003","16.7849","0.0004","98.2396","0.0007","106.521","0.0008","102.924","0.0009","2605.6","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","[Ti(N-t-Bu){(2-C5H4N)CH2N{2-O-3,5-C6H3(t-Bu)2}2}(py)]","","- C57 H76 N4 O2 Ti -","- C57 H76 N4 O2 Ti -","- C114 H152 N8 O4 Ti2 -","2","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.0668","","","","0.0725","","","","","","1.0118","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060038","13.455","0.0002","15.6131","0.0002","20.7997","0.0003","95.4649","0.0005","96.8717","0.0006","113.96","0.0006","3914.1","0.1","150","","150","","","","","","","","?","6","P -1","-P 1","2","","[Ti2{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2(t-Bu)2)}2}2(mu-O)2] . 3(CH2Cl2)","","- C75 H106 Cl6 N4 O6 Ti2 -","- C75 H106 Cl6 N4 O6 Ti2 -","- C150 H212 Cl12 N8 O12 Ti4 -","2","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","0.1069","0.0479","","0.088","0.052","0.052","","","","","","0.8473","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060039","13.0792","0.0002","34.8093","0.0003","11.2256","0.0002","90","","112.215","0.0004","90","","4731.4","","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H72 N3 O2 Ti -","- C49 H72 N3 O2 Ti -","- C196 H288 N12 O8 Ti4 -","4","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.038","","","","0.0408","","","","","","1.0704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060040","11.4403","0.0002","16.7426","0.0002","25.1924","0.0003","90","","90.977","0.0006","90","","4824.7","","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H73 N3 O2 Ti -","- C50 H73 N3 O2 Ti -","- C200 H292 N12 O8 Ti4 -","4","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.0415","","","","0.0489","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060041","6.3568","0.0012","12.5627","0.0016","14.658","0.002","90","","94.75","0.014","90","","1166.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Mo N O2 S -","- C12 H9 Mo N O2 S -","- C48 H36 Mo4 N4 O8 S4 -","4","1","","Noorjahan Begum; Shariff E. Kabir; G. M. Golzar Hossain; A. F. M. Mahfuzur Rahman; Edward Rosenberg","Investigations of Pyridine-2-thiol as a Ligand: Synthesis and X-ray Structures of the Mixed Mo-Mn Dinuclear Complex CpMoMn(CO)3(μ-CO)(μ-η2-pyS)(μ-η1-pyS), the Electron-Deficient Trimolybdenum Cluster Cp3Mo3(μ-CO)2(μ-S)(μ3-S)(μ-η2-NC5H4), and the Mononuclear CpMo(CO)2(μ-η2-pyS)","Organometallics","2005","24","","266","271","10.1021/om040112p","","","0.71073","MoKα","","0.0349","0.0261","","","0.0707","0.0736","","","","","","1.046","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060042","10.68","0.002","12.0922","0.0018","15.335","0.002","90","","90","","90","","1980.5","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Mn Mo N2 O4 S2 -","- C19 H13 Mn Mo N2 O4 S2 -","- C76 H52 Mn4 Mo4 N8 O16 S8 -","4","1","","Noorjahan Begum; Shariff E. Kabir; G. M. Golzar Hossain; A. F. M. Mahfuzur Rahman; Edward Rosenberg","Investigations of Pyridine-2-thiol as a Ligand: Synthesis and X-ray Structures of the Mixed Mo-Mn Dinuclear Complex CpMoMn(CO)3(μ-CO)(μ-η2-pyS)(μ-η1-pyS), the Electron-Deficient Trimolybdenum Cluster Cp3Mo3(μ-CO)2(μ-S)(μ3-S)(μ-η2-NC5H4), and the Mononuclear CpMo(CO)2(μ-η2-pyS)","Organometallics","2005","24","","266","271","10.1021/om040112p","","","0.71073","MoKα","","0.0318","0.0255","","","0.0615","0.0632","","","","","","1.047","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060043","13.223","0.0005","16.7951","0.0005","9.5772","0.0003","90","","95.2087","0.0011","90","","2118.14","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Mo3 N O2 S2 -","- C22 H19 Mo3 N O2 S2 -","- C88 H76 Mo12 N4 O8 S8 -","4","1","","Noorjahan Begum; Shariff E. Kabir; G. M. Golzar Hossain; A. F. M. Mahfuzur Rahman; Edward Rosenberg","Investigations of Pyridine-2-thiol as a Ligand: Synthesis and X-ray Structures of the Mixed Mo-Mn Dinuclear Complex CpMoMn(CO)3(μ-CO)(μ-η2-pyS)(μ-η1-pyS), the Electron-Deficient Trimolybdenum Cluster Cp3Mo3(μ-CO)2(μ-S)(μ3-S)(μ-η2-NC5H4), and the Mononuclear CpMo(CO)2(μ-η2-pyS)","Organometallics","2005","24","","266","271","10.1021/om040112p","","","0.71073","MoKα","","0.0677","0.0366","","","0.0649","0.0727","","","","","","0.968","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060044","9.41","0.0002","12.665","0.0003","23.347","0.0005","90","","94.01","0.0014","90","","2775.63","0.11","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl4 N2 O4 Ti -","- C24 H32 Cl4 N2 O4 Ti -","- C96 H128 Cl16 N8 O16 Ti4 -","4","1","","Sharon Segal; Israel Goldberg; Moshe Kol","Zirconium and Titanium Diamine Bis(phenolate) Catalysts for -Olefin Polymerization: From Atactic Oligo(1-hexene) to Ultrahigh-Molecular-Weight Isotactic Poly(1-hexene)","Organometallics","2005","24","","200","202","10.1021/om049556b","","","0.71073","MoKα","","0.0792","0.0474","","","0.1138","0.1297","","","","","","1.028","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060045","17.281","0.004","10.375","0.002","19.912","0.004","90","","90","","90","","3570.3","1.3","193.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 Cl N2 Ni -","- C18 H23 Cl N2 Ni -","- C144 H184 Cl8 N16 Ni8 -","8","1","","Hong M. Sun; Qing Shao; Dong M. Hu; Wan F. Li; Qi Shen; Yong Zhang","Indenylnickel(II) N-Heterocyclic Carbene Complexes: Synthesis via Indene Elimination and Catalytic Activity for Ethylene Dimerization","Organometallics","2005","24","","331","334","10.1021/om049334d","","","0.7107","MoKα","","","0.035","","","","0.049","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060046","11.25","0.002","10.887","0.002","14.63","0.002","90","","98.458","0.003","90","","1772.5","0.5","193.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Br N2 Ni -","- C18 H23 Br N2 Ni -","- C72 H92 Br4 N8 Ni4 -","4","1","","Hong M. Sun; Qing Shao; Dong M. Hu; Wan F. Li; Qi Shen; Yong Zhang","Indenylnickel(II) N-Heterocyclic Carbene Complexes: Synthesis via Indene Elimination and Catalytic Activity for Ethylene Dimerization","Organometallics","2005","24","","331","334","10.1021/om049334d","","","0.7107","MoKα","","","0.042","","","","0.098","","","","","","1.001","","","","has coordinates","190337","2020-10-21","18:00:00",""
"4060047","13.2481","0.006","17.5912","0.0077","21.3164","0.0097","90","0.002","100.609","0.003","90","0.002","4882.9","0.3","223.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H80 Ge3 Si8 -","- C32 H80 Ge3 Si8 -","- C128 H320 Ge12 Si32 -","4","1","","Takeaki Iwamoto; Hidenori Masuda; Chizuko Kabuto; Mitsuo Kira","Trigermaallene and 1,3-Digermasilaallene","Organometallics","2005","24","","197","199","10.1021/om049183e","","","0.7107","MoKα","","","0.0893","","","","0.189","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060048","24.732","0.007","11.512","0.003","18.119","0.006","90","0.001","107.412","0.001","90","0.001","4922","3","223","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H80 Ge2 Si9 -","- C32 H80 Ge2 Si9 -","- C128 H320 Ge8 Si36 -","4","0.5","","Takeaki Iwamoto; Hidenori Masuda; Chizuko Kabuto; Mitsuo Kira","Trigermaallene and 1,3-Digermasilaallene","Organometallics","2005","24","","197","199","10.1021/om049183e","","","0.7107","MoKα","","","0.0465","","","","0.1125","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060049","16.571","0.002","15.024","0.002","34.088","0.004","90","","96.519","0.006","90","","8431","1","153.2","","","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C147 H158 Hg2 N6 P6 Pt6 -","- C147 H144 Hg2 N6 P6 Pt6 -","- C294 H288 Hg4 N12 P12 Pt12 -","2","0.5","","Tomoaki Tanase; Eri Goto; Hiroe Takenaka; Takashi Horiuchi; Yasuhiro Yamamoto; Junpei Kuwabara; Kohtaro Osakada","Cage-Type Hexanuclear Platinum(0) Clusters with Diphosphine and Isocyanide Ligands Encapsulating Two Mercury(0) Atoms","Organometallics","2005","24","","234","244","10.1021/om049251x","","","0.7107","MoKα","","","0.0789","","","","0.2431","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060050","38.202","0.004","14.8735","0.0011","30.618","0.003","90","","115.632","0.0011","90","","15685","2.6","153.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C144 H150 Hg2 N6 P6 Pt6 -","- C144 H150 Hg2 N6 P6 Pt6 -","- C576 H600 Hg8 N24 P24 Pt24 -","4","0.5","","Tomoaki Tanase; Eri Goto; Hiroe Takenaka; Takashi Horiuchi; Yasuhiro Yamamoto; Junpei Kuwabara; Kohtaro Osakada","Cage-Type Hexanuclear Platinum(0) Clusters with Diphosphine and Isocyanide Ligands Encapsulating Two Mercury(0) Atoms","Organometallics","2005","24","","234","244","10.1021/om049251x","","","0.7107","MoKα","","","0.084","","","","0.089","","","","","","1.183","","","","has coordinates","277847","2022-09-14","22:28:02",""
"4060051","14.8858","0.0008","15.2745","0.0007","23.2773","0.0009","93.889","0.001","101.819","0.002","111.113","0.002","4774.2","0.4","153.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C111 H117 Hg P6 Pt2 -","- C111 H117 Hg P6 Pt2 -","- C222 H234 Hg2 P12 Pt4 -","2","1","","Tomoaki Tanase; Eri Goto; Hiroe Takenaka; Takashi Horiuchi; Yasuhiro Yamamoto; Junpei Kuwabara; Kohtaro Osakada","Cage-Type Hexanuclear Platinum(0) Clusters with Diphosphine and Isocyanide Ligands Encapsulating Two Mercury(0) Atoms","Organometallics","2005","24","","234","244","10.1021/om049251x","","","0.7107","MoKα","","","0.0328","","","","0.0659","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060052","14.2299","0.0001","15.8221","0.0002","17.9834","0.0002","69.791","0.001","89.882","0.001","87.044","0.001","3794.06","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H53 Cl3 N O2 P2 Re -","- C37.5 H53 Cl2.99 N O2 P2 Re -","- C150 H212 Cl11.96 N4 O8 P8 Re4 -","4","2","","Sandra Eichenseher; Olivier Delacroix; Klemenz Kromm; Frank Hampel; J. A. Gladysz","Rhenium-Containing Phosphorus Donor Ligands for Palladium-Catalyzed Suzuki Cross-Coupling Reactions: A New Strategy for High-Activity Systems","Organometallics","2005","24","","245","255","10.1021/om0492956","","","0.71073","MoKα","","0.0577","0.0442","","","0.125","0.1377","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060053","9.3511","0.0003","25.5777","0.0004","13.0351","0.0003","90","","105.255","0.0009","90","","3007.88","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 N O P2 Re -","- C32 H40 N O P2 Re -","- C128 H160 N4 O4 P8 Re4 -","4","1","","Sandra Eichenseher; Olivier Delacroix; Klemenz Kromm; Frank Hampel; J. A. Gladysz","Rhenium-Containing Phosphorus Donor Ligands for Palladium-Catalyzed Suzuki Cross-Coupling Reactions: A New Strategy for High-Activity Systems","Organometallics","2005","24","","245","255","10.1021/om0492956","","","0.71073","MoKα","","0.0407","0.0325","","","0.089","0.0981","","","","","","1.118","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060054","12.5659","0.0009","20.5264","0.0014","14.4656","0.001","90","","90.192","0.001","90","","3731.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 Cr2 N O13 -","- C38 H29 Cr2 N O13 -","- C152 H116 Cr8 N4 O52 -","4","1","","Jinzhu Chen; Zhengkun Yu; Zhaoyan Zheng; Kaichun Gu; Sizhong Wu; Fanlong Zeng; Weiqiang Tan; Xiaowei Wu; Wenjing Xiao","Chemoselective Stepwise Demetalation of Unusually Stable Fischer Biscarbene Complexes by Domino [4+2]/[2+2] Cycloaddition of 2-Isopropenyl-2-oxazoline to 1-Alkynyl Fischer Carbene Complexes of Chromium and Tungsten","Organometallics","2005","24","","302","308","10.1021/om049213d","","","0.71073","MoKα","","0.0827","0.047","","","0.0978","0.1086","","","","","","0.878","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060055","11.1571","0.0009","13.699","0.0011","11.3873","0.001","90","","113.103","0.002","90","","1600.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 N O9 W -","- C32.7 H29 N O9 W -","- C65.4 H58 N2 O18 W2 -","2","1","","Jinzhu Chen; Zhengkun Yu; Zhaoyan Zheng; Kaichun Gu; Sizhong Wu; Fanlong Zeng; Weiqiang Tan; Xiaowei Wu; Wenjing Xiao","Chemoselective Stepwise Demetalation of Unusually Stable Fischer Biscarbene Complexes by Domino [4+2]/[2+2] Cycloaddition of 2-Isopropenyl-2-oxazoline to 1-Alkynyl Fischer Carbene Complexes of Chromium and Tungsten","Organometallics","2005","24","","302","308","10.1021/om049213d","","","0.71073","MoKα","","0.0804","0.0519","","","0.1181","0.1752","","","","","","0.912","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060056","7.4353","0.0007","12.1255","0.0011","12.5732","0.0012","65.069","0.002","82.996","0.002","79.906","0.002","1010.55","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N O7 W -","- C20 H15 N O7 W -","- C40 H30 N2 O14 W2 -","2","1","","Jinzhu Chen; Zhengkun Yu; Zhaoyan Zheng; Kaichun Gu; Sizhong Wu; Fanlong Zeng; Weiqiang Tan; Xiaowei Wu; Wenjing Xiao","Chemoselective Stepwise Demetalation of Unusually Stable Fischer Biscarbene Complexes by Domino [4+2]/[2+2] Cycloaddition of 2-Isopropenyl-2-oxazoline to 1-Alkynyl Fischer Carbene Complexes of Chromium and Tungsten","Organometallics","2005","24","","302","308","10.1021/om049213d","","","0.71073","MoKα","","0.0757","0.0719","","","0.1744","0.1776","","","","","","1.037","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060057","38.242","0.009","7.1774","0.0017","17.705","0.004","90","","92.733","0.005","90","","4854.1","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C224 H232 N8 O40 -","8","1","","Jinzhu Chen; Zhengkun Yu; Zhaoyan Zheng; Kaichun Gu; Sizhong Wu; Fanlong Zeng; Weiqiang Tan; Xiaowei Wu; Wenjing Xiao","Chemoselective Stepwise Demetalation of Unusually Stable Fischer Biscarbene Complexes by Domino [4+2]/[2+2] Cycloaddition of 2-Isopropenyl-2-oxazoline to 1-Alkynyl Fischer Carbene Complexes of Chromium and Tungsten","Organometallics","2005","24","","302","308","10.1021/om049213d","","","0.71073","MoKα","","0.1657","0.0583","","","0.1318","0.1543","","","","","","0.707","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060058","8.68","0.002","11.311","0.001","14.041","0.002","89.14","0.01","87.76","0.01","67.47","0.01","1272.4","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H42 P2 Zr -","- C24 H42 P2 Zr -","- C48 H84 P4 Zr2 -","2","1","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0827","0.0664","","","0.2153","0.2466","","","","","","1.112","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060059","14.049","0.001","21.756","0.001","11.484","0.001","90","","104.75","0.01","90","","3394.4","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Cl2 P2 Zr -","- C34 H52 Cl2 P2 Zr -","- C136 H208 Cl8 P8 Zr4 -","4","1","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0723","0.0473","","","0.1017","0.1137","","","","","","1.03","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060060","24.97","0.001","12.621","0.001","28.554","0.001","90","","90","","90","","8998.7","0.9","198","2","198","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H46 O P3 Rh Zr -","- C54 H46 O P3 Rh Zr -","- C432 H368 O8 P24 Rh8 Zr8 -","8","2","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0901","0.051","","","0.0817","0.0937","","","","","","1.012","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060061","24.693","0.001","17.604","0.001","8.137","0.001","90","","96.65","0.01","90","","3513.3","0.5","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 Cl6 P2 Zr -","- C28 H48 Cl6 P2 Zr -","- C112 H192 Cl24 P8 Zr4 -","4","0.5","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0279","0.0239","","","0.0611","0.063","","","","","","1.072","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060062","10.269","0.001","14.541","0.001","23.755","0.001","90","","99.39","0.01","90","","3499.6","0.4","198","2","198","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H58 P2 Zr -","- C36 H58 P2 Zr -","- C144 H232 P8 Zr4 -","4","0.5","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0402","0.0312","","","0.072","0.0768","","","","","","1.023","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060063","9.36","0.001","12.047","0.001","14.23","0.001","101.32","0.01","97.43","0.01","103.58","0.01","1503.3","0.2","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cl2 P2 Zr -","- C34 H28 Cl2 P2 Zr -","- C68 H56 Cl4 P4 Zr2 -","2","1","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0879","0.0544","","","0.0889","0.1009","","","","","","1.017","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060064","8.656","0.001","20.384","0.001","14.203","0.001","90","","93.21","0.01","90","","2502.1","0.4","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Cl2 P2 Zr -","- C22 H36 Cl2 P2 Zr -","- C88 H144 Cl8 P8 Zr4 -","4","0.5","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0398","0.0297","","","0.0623","0.0652","","","","","","1.05","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060065","33.117","0.001","15.246","0.001","21.888","0.001","90","","130.74","0.01","90","","8373.3","0.7","198","2","198","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H63 O2 P2 Rh Zr -","- C44 H63 O2 P2 Rh Zr -","- C352 H504 O16 P16 Rh8 Zr8 -","8","1","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0918","0.0497","","","0.1037","0.1177","","","","","","1.035","","","","has coordinates,has disorder","178489","2020-10-21","18:00:00",""
"4060066","34.575","0.001","10.989","0.001","23.485","0.001","90","","109.66","0.01","90","","8402.8","0.9","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H63 Cl2 O P2 Rh Zr -","- C43 H63 Cl2 O P2 Rh Zr -","- C344 H504 Cl16 O8 P16 Rh8 Zr8 -","8","2","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0678","0.04","","","0.0779","0.0864","","","","","","1.023","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060067","9.29","0.001","11.545","0.001","14.362","0.001","98.04","0.01","97.7","0.01","112.41","0.01","1380.2","0.2","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 Cl2 O P2 Rh Zr -","- C24 H39 Cl2 O P2 Rh Zr -","- C48 H78 Cl4 O2 P4 Rh2 Zr2 -","2","1","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0311","0.0267","","","0.0654","0.0677","","","","","","1.01","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060068","13.9741","0.0011","14.7942","0.0011","21.7661","0.0017","90","","107.511","0.001","90","","4291.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 B F15 Zr -","- C51 H38 B F15 Zr -","- C204 H152 B4 F60 Zr4 -","4","1","","Abdulaziz Al-Humydi; Jered C. Garrison; Wiley J. Youngs; Scott Collins","Propene Polymerization Using ansa-Metallocenium Ions: Excess Activator Effects on Polymerization Activity and Polymer Microstructure","Organometallics","2005","24","","193","196","10.1021/om0492092","","x-ray","0.71073","MoKα","","0.0526","0.0422","","","0.1117","0.1177","","","","","","1.029","","","","has coordinates,has disorder","178489","2020-10-21","18:00:00",""
"4060069","9.9387","0.0003","11.9818","0.0003","14.1601","0.0005","113.074","0.001","90.262","0.001","112.983","0.001","1403.25","0.07","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H34 N Ni O4 P -","- C31 H34 N Ni O4 P -","- C62 H68 N2 Ni2 O8 P2 -","2","1","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.1047","0.0752","","","0.1714","0.1848","","","","","","1.094","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060070","17.379","0.0012","17.379","0.0012","10.6941","0.0006","90","","90","","90","","3229.9","0.4","183","2","183","2","","","","","","","","5","I -4","I -4","82","","","","- C68 H76 Ni4 O8 P4 -","- C68 H76 Ni4 O8 P4 -","- C136 H152 Ni8 O16 P8 -","2","0.25","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.0682","0.0439","","","0.0772","0.0857","","","","","","1.015","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060071","18.9491","0.0005","18.9491","0.0005","18.9491","0.0005","90","","90","","90","","6804","0.3","183","2","183","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C24 H52 Ni4 O8 P4 -","- C24 H52 Ni4 O8 P4 -","- C144 H312 Ni24 O48 P24 -","6","0.25","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.0543","0.0414","","","0.0982","0.104","","","","","","1.106","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060072","18.7303","0.0004","18.7303","0.0004","12.5854","0.0002","90","","90","","90","","4415.26","0.15","183","2","183","2","","","","","","","","5","I -4","I -4","82","","","","- C84 H148 Ni4 O8 P4 -","- C84 H148 Ni4 O8 P4 -","- C168 H296 Ni8 O16 P8 -","2","0.25","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.0594","0.0482","","","0.1358","0.1441","","","","","","1.052","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060073","15.0676","0.0005","16.0297","0.0005","16.1476","0.0006","98.279","0.002","104.586","0.002","93.72","0.002","3714.2","0.2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H121 N Ni6 O13 P6 -","- C57 H121 N Ni6 O13 P6 -","- C114 H242 N2 Ni12 O26 P12 -","2","1","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.1118","0.0627","","","0.1373","0.1653","","","","","","1.037","","","","has coordinates,has disorder","178489","2020-10-21","18:00:00",""
"4060074","9.3259","0.0004","12.5108","0.0007","13.5807","0.0008","88.669","0.003","87.244","0.003","70.259","0.003","1489.6","0.1","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H50.5 N1.5 Ni O3 P -","- C30.5 H50.5 N1.5 Ni O3 P -","- C61 H101 N3 Ni2 O6 P2 -","2","1","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.065","0.0523","","","0.1476","0.1534","","","","","","1.079","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060075","16.6139","0.0013","10.773","0.0011","16.1339","0.0011","90","","102.756","0.006","90","","2816.4","0.4","294","","294","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 N O P2 Ru -","- C27 H41 N O P2 Ru -","- C108 H164 N4 O4 P8 Ru4 -","4","1","","Remle Çelenligil-Çetin; Lori A. Watson; Chengyun Guo; Bruce M. Foxman; Oleg V. Ozerov","Decarbonylation of Acetone and Carbonate at a Pincer-Ligated Ru Center","Organometallics","2005","24","","186","189","10.1021/om049061m","","","0.71073","MoKα","","0.108","0.04","","0.0967","0.0442","0.0442","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060076","13.849","0.002","9.9235","0.0015","17.759","0.003","90","","94.524","0.003","90","","2432.9","0.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(pentamethylcyclopentadienyl)(triisopropylphosphine) (dimethylchlorosilyl)ruthenium dihydride","","- C21 H44 Cl P Ru Si -","- C21 H44 Cl P Ru Si -","- C84 H176 Cl4 P4 Ru4 Si4 -","4","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0566","0.0403","","","0.104","0.11","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4060077","9.5522","0.0003","9.7988","0.0003","14.2729","0.0005","82.106","0.001","74.015","0.001","63.171","0.001","1145.91","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(pentamethylcyclopentadienyl)(diisopropylmethylphosphine) (dimethylchlorosilyl)ruthenium dihydride","","- C19 H40 Cl P Ru Si -","- C19 H40 Cl P Ru Si -","- C38 H80 Cl2 P2 Ru2 Si2 -","2","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0468","0.0452","","","0.1192","0.1207","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060078","13.8023","0.0008","9.8582","0.0005","17.8192","0.001","90","","94.1","0.002","90","","2418.4","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(pentamethylcyclopentadienyl)(triisopropylphosphine) (methyldichlorosilyl)ruthenium dihydride","","- C20 H41 Cl2 P Ru Si -","- C20 H41 Cl2 P Ru Si -","- C80 H164 Cl8 P4 Ru4 Si4 -","4","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0291","0.0265","","","0.0734","0.0748","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060079","8.9255","0.0003","13.1723","0.0004","9.6629","0.0004","90","","115.278","0.001","90","","1027.28","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(pentamethylcyclopentadienyl)(isopropyldimethylphosphine) (methyldichlorosilyl)ruthenium dihydride","","- C16 H33 Cl2 P Ru Si -","- C16 H33 Cl2 P Ru Si -","- C32 H66 Cl4 P2 Ru2 Si2 -","2","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0314","0.0299","","","0.0767","0.0786","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060080","8.8721","0.0003","15.0898","0.0005","17.1508","0.0006","90","","96.013","0.001","90","","2283.49","0.13","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(pentamethylcyclopentadienyl)(diisopropylmethylphosphine) (chloro)(trichlorosilyl)ruthenium hydride","","- C17 H33 Cl4 P Ru Si -","- C17 H33 Cl4 P Ru Si -","- C68 H132 Cl16 P4 Ru4 Si4 -","4","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0463","0.0361","","","0.0798","0.0878","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060081","9.7845","0.0003","15.7692","0.0005","13.9294","0.0004","90","","91.192","0.001","90","","2148.75","0.11","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(pentamethylcyclopentadienyl)(isopropyldimethylphosphine) (chloro)(trichlorosilyl)ruthenium hydride","","- C15 H29 Cl4 P Ru Si -","- C15 H29 Cl4 P Ru Si -","- C60 H116 Cl16 P4 Ru4 Si4 -","4","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0264","0.0227","","","0.059","0.0604","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060082","9.3407","0.0003","31.3721","0.0009","8.6589","0.0003","90","","115.61","0.001","90","","2288.1","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(pentamethylcyclopentadienyl)(dimethylphenylphosphine) (chloro)(trichlorosilyl)ruthenium hydride","","- C18 H27 Cl4 P Ru Si -","- C18 H27 Cl4 P Ru Si -","- C72 H108 Cl16 P4 Ru4 Si4 -","4","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0286","0.0237","","","0.053","0.063","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060083","33.0396","0.0013","8.9192","0.0004","14.8864","0.0006","90","","101.646","0.001","90","","4296.5","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(pentamethylcyclopentadienyl)(triisopropylmethylphosphine) (trihydrosilyl)ruthenium dihydride","","- C19 H41 P Ru Si -","- C19 H41 P Ru Si -","- C152 H328 P8 Ru8 Si8 -","8","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0339","0.0284","","","0.0673","0.0718","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060084","18.119","0.0007","14.9011","0.0006","25.4867","0.001","90","","90","","90","","6881.2","0.5","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C60 H42 Fe6 N O18 P3 S3 -","- C60 H42 Fe6 N O18 P3 S3 -","- C240 H168 Fe24 N4 O72 P12 S12 -","4","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0915","0.0468","","","0.084","0.0918","","","","","","1","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060085","13.612","0.005","14.753","0.006","15.879","0.006","64.381","0.007","70.868","0.007","81.534","0.008","2716.4","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.25 H18.5 Cl0.5 Fe6 O18 S9 -","- C33.25 H18.5 Cl0.5 Fe6 O18 S9 -","- C66.5 H37 Cl Fe12 O36 S18 -","2","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.1603","0.0811","","","0.2065","0.2545","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060086","10.403","0.0012","12.984","0.0017","14.5303","0.0019","90","","90","","90","","1962.6","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 D6 N O P W -","- C19 H24 D6 N O P W -","- C76 H96 D24 N4 O4 P4 W4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049137e","","","0.71073","MoKα","","0.0111","0.0106","","","0.0264","0.0265","","","","","","1.045","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060087","8.958","0.003","11.63","0.004","13.37","0.004","64.807","0.005","79.845","0.006","70.453","0.005","1187","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Co2 N2 O10 -","- C22 H12 Co2 N2 O10 -","- C44 H24 Co4 N4 O20 -","2","1","","","","Organometallics","2005","","","","","10.1021/om049175y","","","0.71073","MoKα","","0.0524","0.0322","","","0.0693","0.0767","","","","","","0.93","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060088","10.113","0.003","31.297","0.011","11.349","0.004","90","","106.385","0.006","90","","3446","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 As2 F6 O7 Pd S2 -","- C30 H30 As2 F6 O7 Pd S2 -","- C120 H120 As8 F24 O28 Pd4 S8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049175y","","","0.71073","MoKα","","0.0801","0.0435","","","0.0756","0.0844","","","","","","0.969","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060089","11.418","0.0013","21.677","0.003","16.1975","0.0018","90","","92.132","0.002","90","","4006.2","0.8","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 As2 Cl2 F6 O8 Pt S2 -","- C31 H34 As2 Cl2 F6 O8 Pt S2 -","- C124 H136 As8 Cl8 F24 O32 Pt4 S8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049175y","","","0.71073","MoKα","","0.0784","0.0584","","","0.1372","0.1453","","","","","","0.937","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060090","13.696","0.008","14.648","0.008","17.666","0.011","77.777","0.011","76.557","0.011","73.831","0.012","3269","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C104 H80 As4 Co4 F12 N4 O32 Pd2 S4 -","- C104 H76 As4 Co4 F12 N4 O32 Pd2 S4 -","- C104 H76 As4 Co4 F12 N4 O32 Pd2 S4 -","1","0.5","","","","Organometallics","2005","","","","","10.1021/om049175y","","","0.71073","MoKα","","0.2544","0.0949","","","0.1608","0.2128","","","","","","1","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060091","13.667","0.009","17.272","0.011","18.06","0.012","92.019","0.012","101.885","0.011","104.029","0.011","4031","5","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C104 H97 As4 Co4 F12 N4 O40.5 Pt2 S4 -","- C104 H80 As4 Co4 F12 N4 O40.5 Pt2 S4 -","- C104 H80 As4 Co4 F12 N4 O40.5 Pt2 S4 -","1","0.5","","Li-Cheng Song; Guo-Xia Jin; Wen-Xiong Zhang; Qing-Mei Hu","Cationic M(II)/Co(0) (M = Pd, Pt) Metallomacrocycles Containing Tetrahedral Co~2~C~24 Cluster Cores Formed by Self-Assembly of Cluster-Bridged Bipyridine (4-C~5~H~4~NCO~2~CH~2~)~2~C~2~Co~2~(CO)~6~ and Diarsine-Chelated Complex [Pd(dpab)(H~2~O)(OTf)][OTf] or [Pt(dpab)(H~2~O)~2~][OTf]~2~","Organometallics","2005","24","","700","706","10.1021/om049175y","","","0.71073","MoKα","","0.1399","0.0689","","","0.2004","0.2398","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060092","12.354","0.005","17.951","0.007","18.506","0.007","90","","90","","90","","4104","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H16 N2 O16 Ru6 -","- C36 H16 N2 O16 Ru6 -","- C144 H64 N8 O64 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","0.71073","MoKα","","0.0287","0.0253","","","0.0572","0.0606","","","","","","1.171","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060093","21.6445","0.0003","11.3872","0.0001","70.7952","0.0007","90","","92.101","0.001","90","","17437.2","0.3","200","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.75 H16 Cl1.5 N2 O17 Ru7 -","- C37.75 H16 Cl1.5 N2 O17 Ru7 -","- C604 H256 Cl24 N32 O272 Ru112 -","16","2","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","1.5418","CuKα","","0.0998","0.0781","","","0.2087","0.235","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4060094","15.17","0.03","12.55","0.02","23.2","0.04","90","","92.75","0.03","90","","4412","13","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34.4 H16.8 Cl0.8 N2 O14 Ru6 -","- C34.4 H16.8 Cl0.8 N2 O14 Ru6 -","- C137.6 H67.2 Cl3.2 N8 O56 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","0.71073","MoKα","","0.1617","0.1022","","","0.2107","0.2558","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060095","11.1372","0.0002","16.4202","0.0003","19.2955","0.0003","90","","90","","90","","3528.67","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H16 N2 O13 Ru5 -","- C33 H16 N2 O13 Ru5 -","- C132 H64 N8 O52 Ru20 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","1.5418","CuKα","","0.0255","0.0251","","","0.0664","0.0665","","","","","","1.188","","","","has coordinates","277847","2022-09-14","22:28:04",""
"4060096","19.296","0.003","17.896","0.003","21.224","0.004","90","","90","","90","","7329","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H24 N2 O10 Ru5 -","- C37 H24 N2 O10 Ru5 -","- C296 H192 N16 O80 Ru40 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","0.71073","MoKα","","0.0548","0.0439","","","0.0824","0.0909","","","","","","1.22","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060097","13.193","0.003","12.847","0.002","14.335","0.003","90","","98.36","0.03","90","","2403.8","0.9","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl2 N4 O3 Pt2 -","- C19 H22 Cl2 N4 O3 Pt2 -","- C76 H88 Cl8 N16 O12 Pt8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049191v","","","0.71073","MoKα","","0.042","0.025","","","0.052","0.0562","","","","","","0.974","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060098","9.4867","0.0017","9.2","0.002","13.979","0.003","90","","105.92","0.02","90","","1173.3","0.4","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cl N2 O Pt -","- C10 H13 Cl N2 O Pt -","- C40 H52 Cl4 N8 O4 Pt4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049191v","","","0.71073","MoKα","","0.046","0.0304","","","0.0726","0.0765","","","","","","1.033","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060099","23.7164","0.0009","23.7164","0.0009","49.973","0.004","90","","90","","90","","28108","3","223","2","223","2","","","","","","","","9","P 4/n c c :2","-P 4a 2ac","130","","","","- C32 H52 Cl0 Cu2 F12 O0.67 P2 Ru2 S6 -","- C32 H52 Cu2 F12 O0.666667 P2 Ru2 S6 -","- C768 H1248 Cu48 F288 O16 P48 Ru48 S144 -","24","1.5","","","","Organometallics","2005","","","","","10.1021/om0491950","","","0.71073","MoKα","","0.1548","0.0864","","","0.2372","0.2798","","","","","","1.009","","","","has coordinates,has disorder","178489","2020-10-21","18:00:00",""
"4060100","12.8818","0.0013","13.2769","0.0014","16.2719","0.0016","97.257","0.002","100.978","0.002","111.208","0.002","2488.4","0.4","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C34.5 H57 Cu2 F12 N O0.5 P2 Ru2 S6 -","- C34.5 H55 Cu2 F12 N O0.5 P2 Ru2 S6 -","- C69 H110 Cu4 F24 N2 O P4 Ru4 S12 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0491950","","","0.71073","MoKα","","0.0586","0.0466","","","0.1211","0.1271","","","","","","1.08","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060101","21.4107","0.0016","13.9823","0.0011","17.6141","0.0014","90","","108.202","0.002","90","","5009.3","0.7","223","2","223","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C35 H59 Ag2 F12 N O P2 Ru2 S6 -","- C35 H59 Ag2 F12 N O P2 Ru2 S6 -","- C140 H236 Ag8 F48 N4 O4 P8 Ru8 S24 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0491950","","","0.71073","MoKα","","0.0523","0.0395","","","0.079","0.0807","","","","","","1.002","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060102","8.927","0.0005","14.3503","0.0007","15.01","0.0008","88.792","0.001","82.193","0.001","86.655","0.001","1901.62","0.17","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C34.5 H41.75 Au F6 N0.25 P2 Ru S3 -","- C34.5 H41 Au F6 N0.25 P2 Ru S3 -","- C69 H82 Au2 F12 N0.5 P4 Ru2 S6 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0491950","","","0.71073","MoKα","","0.0592","0.0407","","","0.0551","0.0576","","","","","","0.993","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060103","12.8833","0.0009","23.5699","0.0017","16.5363","0.0012","90","","99.254","0.002","90","","4956","0.6","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 Au2 F12 O0.5 P2 Ru2 S6 -","- C34 H56 Au2 F12 O0.5 P2 Ru2 S6 -","- C136 H224 Au8 F48 O2 P8 Ru8 S24 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0491950","","","0.71073","MoKα","","0.0972","0.0882","","","0.1845","0.1883","","","","","","1.266","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060104","8.935","0.002","14.707","0.004","17.053","0.004","66.723","0.004","76.713","0.005","81.282","0.005","1998.7","0.9","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H48 Cu F6 O P Ru2 S6 -","- C28 H46 Cu F6 O P Ru2 S6 -","- C56 H92 Cu2 F12 O2 P2 Ru4 S12 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0491950","","","0.71073","MoKα","","0.101","0.0726","","","0.1631","0.1744","","","","","","1.112","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060105","12.2374","0.0005","17.5939","0.0007","22.0809","0.0009","71.783","0.001","74.961","0.001","72.241","0.001","4229.3","0.3","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C28.25 H48 Ag F12 O0.5 P2 Ru2 S6 -","- C28.25 H47 Ag F12 O0.5 P2 Ru2 S6 -","- C113 H188 Ag4 F48 O2 P8 Ru8 S24 -","4","2","","","","Organometallics","2005","","","","","10.1021/om0491950","","","0.71073","MoKα","","0.1187","0.0754","","","0.1486","0.165","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060106","8.653","0.005","26.368","0.017","15.926","0.009","90","","91.236","0.018","90","","3633","4","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Au F6 P2 Ru S3 -","- C32 H38 Au F6 P2 Ru S3 -","- C128 H152 Au4 F24 P8 Ru4 S12 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0491950","","","0.71073","MoKα","","0.1157","0.0984","","","0.2694","0.2817","","","","","","1.062","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060107","11.3788","0.0007","13.5233","0.0008","15.4576","0.0009","76.609","0.001","89.612","0.001","79.802","0.001","2275.9","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H54 Au F6 O2 P2 Ru S3 -","- C40 H54 Au F6 O2 P2 Ru S3 -","- C80 H108 Au2 F12 O4 P4 Ru2 S6 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0491950","","","0.71073","MoKα","","0.093","0.0856","","","0.1756","0.1789","","","","","","1.328","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060108","14.633","0.003","25.866","0.006","26.11","0.006","90","","93.702","0.004","90","","9862","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 F6 N O2 Pt -","- C25 H27 F6 N O2 Pt -","- C400 H432 F96 N16 O32 Pt16 -","16","2","","","","Organometallics","2005","","","","","10.1021/om049211t","","","0.71073","MoKα","","0.0703","0.0412","","","0.0875","0.0976","","","","","","1.046","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060109","10.3459","0.001","10.9225","0.001","11.2004","0.0011","83.1732","0.0018","84.324","0.0017","65.3389","0.0016","1140.38","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 F12 N3 O Pt -","- C21 H13 F12 N3 O Pt -","- C42 H26 F24 N6 O2 Pt2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om049211t","","","0.71069","MoKα","","0.0248","0.0225","","","0.0547","0.0561","","","","","","1.042","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060110","9.6483","0.0008","12.0183","0.0009","13.4404","0.0011","91.379","0.0015","107.013","0.0014","98.404","0.0015","1470.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 F12 N O P Pt -","- C30 H20 F12 N O P Pt -","- C60 H40 F24 N2 O2 P2 Pt2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om049211t","","","0.71069","MoKα","","0.0197","0.0183","","","0.0464","0.0471","","","","","","1.054","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060111","8.1234","0.0013","14.108","0.002","24.683","0.004","90","0.003","91.664","0.003","90","0.003","2827.6","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 F12 N O P Pt -","- C26 H28 F12 N O P Pt -","- C104 H112 F48 N4 O4 P4 Pt4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049211t","","","0.71069","MoKα","","0.0337","0.0241","","","0.0533","0.0579","","","","","","1.086","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060112","10.125","0.003","11.941","0.003","22.971","0.007","76.768","0.011","83.65","0.012","72.101","0.009","2570.3","1.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","benzothiagermete","","","- C45 H80 Ge S Si6 -","- C45 H80 Ge S Si6 -","- C90 H160 Ge2 S2 Si12 -","2","1","","Sasamori, Takahiro; Sasaki, Takayo; Takeda, Nobuhiro; Tokitoh, Norihiro","Reactions of a Germacyclopropabenzene with Elemental Chalcogens: Syntheses and Structures of a Series of Stable 2H-Benzo[c][1,2]chalcogenagermetes","Organometallics","2005","24","4","612","618","10.1021/om049216q","","","0.7107","MoKα","","0.065","0.0522","","","0.0959","0.1004","","","","","","1.115","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060113","11.874","0.004","12.5","0.005","19.77","0.006","77.426","0.017","88.937","0.016","65.979","0.005","2607.8","1.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H80 Ge Se Si6 -","- C45 H80 Ge Se Si6 -","- C90 H160 Ge2 Se2 Si12 -","2","1","","Sasamori, Takahiro; Sasaki, Takayo; Takeda, Nobuhiro; Tokitoh, Norihiro","Reactions of a Germacyclopropabenzene with Elemental Chalcogens: Syntheses and Structures of a Series of Stable 2H-Benzo[c][1,2]chalcogenagermetes","Organometallics","2005","24","4","612","618","10.1021/om049216q","","","0.7107","MoKα","","0.1528","0.067","","","0.1294","0.1502","","","","","","0.93","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060114","13.8849","0.0014","18.3366","0.0013","20.7964","0.0015","90","","93.7513","0.001","90","","5283.5","0.8","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound5","","","- C45 H80 Ge Si6 Te -","- C45 H80 Ge Si6 Te -","- C180 H320 Ge4 Si24 Te4 -","4","1","","Sasamori, Takahiro; Sasaki, Takayo; Takeda, Nobuhiro; Tokitoh, Norihiro","Reactions of a Germacyclopropabenzene with Elemental Chalcogens: Syntheses and Structures of a Series of Stable 2H-Benzo[c][1,2]chalcogenagermetes","Organometallics","2005","24","4","612","618","10.1021/om049216q","","","0.7107","MoKα","","0.0854","0.0479","","","0.0996","0.1095","","","","","","0.965","","","","has coordinates","270067","2021-10-23","17:05:03",""
"4060115","14.8881","0.0013","6.9587","0.0006","15.4139","0.0014","90","","90","","90","","1596.9","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H8 Au Cl N2 -","- C5 H8 Au Cl N2 -","- C40 H64 Au8 Cl8 N16 -","8","1","","","","Organometallics","2005","","","","","10.1021/om049221u","","","0.71073","MoKα","","0.0393","0.0361","","0.1046","0.1018","","","","1.216","1.243","1.243","","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060116","20.8129","0.0015","11.413","0.0008","15.513","0.0011","90","","120.475","0.001","90","","3175.8","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 Au N3 -","- C17 H16 Au N3 -","- C136 H128 Au8 N24 -","8","1","","","","Organometallics","2005","","","","","10.1021/om049221u","","","0.71073","MoKα","","0.0368","0.0356","","","0.0936","0.096","","","","","","1.168","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060117","11.636","0.01","10.827","0.02","17.177","0.015","90","","99.42","0.05","90","","2134.8","4.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Au F6 N4 P -","- C18 H20 Au F6 N4 P -","- C72 H80 Au4 F24 N16 P4 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om049221u","","","0.71073","MoKα","","0.0685","0.0531","","0.1557","0.1414","","","","1.117","1.2","1.2","","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060118","11.493","0.002","21.849","0.002","10.2545","0.0014","90","","90","","90","","2574.9","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H30 Au F6 N4 P -","- C22 H29 Au F6 N4 P -","- C88 H116 Au4 F24 N16 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049221u","","","0.71073","MoKα","","0.0549","0.0365","","0.0992","0.0886","","","","1.049","1.081","1.081","","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060119","9.1783","0.0014","9.8635","0.0014","10.5872","0.0015","95.481","0.011","105.316","0.011","110.129","0.012","849.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Au2 N8 S4 -","- C30 H22.8 Au2 N8 S4 -","- C30 H22.8 Au2 N8 S4 -","1","0.5","","","","Organometallics","2005","","","","","10.1021/om049221u","","","0.71073","MoKα","","0.0558","0.0388","","0.1101","0.0966","","","","1.095","1.136","1.136","","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060120","14.4371","0.0013","15.9432","0.0015","6.7245","0.0006","90","","90","","90","","1547.8","0.2","298","2","298","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H8 Au Cl N3 -","- C4 H8 Au Cl N3 -","- C32 H64 Au8 Cl8 N24 -","8","1","","Wang, Harrison M. J.; Vasam, Chandra Sekhar; Tsai, Thomas Y. R.; Chen, Shih-Hua; Chang, A. H. H.; Lin, Ivan J. B.","Gold(I) N-Heterocyclic Carbene and Carbazolate Complexes","Organometallics","2005","24","4","486","493","10.1021/om049221u","","","0.71073","MoKα","","0.177","0.1692","","","0.4129","0.4224","","","","","","1.85","","","","has coordinates","188742","2020-10-21","18:00:00",""
"4060121","8.9347","0.0016","9.4342","0.0018","14.924","0.003","99.724","0.014","102.811","0.011","99.59","0.006","1181.4","0.4","296","2","150","","","","","","","","","6","P -1","-P 1","2","complex 2","","","- C25 H33 Fe O2 P Si -","- C25 H33 Fe O2 P Si -","- C50 H66 Fe2 O4 P2 Si2 -","2","1","","Masaaki Okazaki","","Organometallics","2005","","","","","10.1021/om0492294","","x-ray","0.71069","MoKα","","0.0783","0.0594","","","0.1376","0.1471","","","","","","1.16","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060122","17.8808","0.0005","8.6468","0.0003","32.4251","0.0011","90","","89.3244","0.0014","90","","5013","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","complex3","","","- C26 H35 Fe O2 P Si -","- C26 H35 Fe O2 P Si -","- C208 H280 Fe8 O16 P8 Si8 -","8","1","","Masaaki Okazaki","","Organometallics","2005","","","","","10.1021/om0492294","","x-ray","0.71069","MoKα","","0.0567","0.0459","","","0.0836","0.087","","","","","","1.213","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060123","17.2616","0.0008","8.8862","0.0006","18.9897","0.0014","90","","104.388","0.002","90","","2821.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","complex5","","","- C31 H37 Fe O2 P Si -","- C31 H37 Fe O2 P Si -","- C124 H148 Fe4 O8 P4 Si4 -","4","1","","Masaaki Okazaki","","Organometallics","2005","","","","","10.1021/om0492294","","x-ray","0.71069","MoKα","","0.041","0.0354","","","0.0837","0.0872","","","","","","1.091","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060124","11.564","0.003","12.333","0.004","12.706","0.003","73.972","0.012","80.424","0.008","68.804","0.009","1619.4","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","complex6","","","- C34.5 H39 Fe O P S Si -","- C34.5 H39 Fe O P S Si -","- C69 H78 Fe2 O2 P2 S2 Si2 -","2","1","","Masaaki Okazaki","","Organometallics","2005","","","","","10.1021/om0492294","","x-ray","0.71069","MoKα","","0.0929","0.068","","","0.1496","0.1679","","","","","","1.168","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060125","14.2343","0.0007","12.7285","0.0006","16.3992","0.0008","90","","92.0787","0.001","90","","2969.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","complex10","","","- C31 H38 Fe O P2 Si -","- C31 H38 Fe O P2 Si -","- C124 H152 Fe4 O4 P8 Si4 -","4","1","","Masaaki Okazaki","","Organometallics","2005","","","","","10.1021/om0492294","","x-ray","0.71069","MoKα","","0.1122","0.0832","","","0.1384","0.1479","","","","","","1.278","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060126","10.605","0.001","21.317","0.002","20.485","0.002","90","","90.319","0.004","90","","4630.9","0.8","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Cl2 N4 P2 Ti -","- C52 H48 Cl2 N4 P2 Ti -","- C208 H192 Cl8 N16 P8 Ti4 -","4","1","","Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins","","Organometallics","2005","","","","","10.1021/om0492350","","","0.71073","MoKα","","0.041","0.0333","","","0.0677","0.0681","","","","","","2.415","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060127","20.36","0.003","20.087","0.002","22.375","0.002","90","","90","","90","","9151","2","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53.85 H53.55 Cl0.15 N4 P2 Ti -","- C53.85 H53.55 Cl0.15 N4 P2 Ti -","- C430.8 H428.4 Cl1.2 N32 P16 Ti8 -","8","1","","Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins","","Organometallics","2005","","","","","10.1021/om0492350","","","0.71073","MoKα","","0.0569","0.0421","","","0.0906","0.0914","","","","","","2.254","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060128","8.998","0.001","25.879","0.002","12.215","0.001","90","","97.86","0.01","90","","2817.7","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N2 P Ti -","- C33 H35 N2 P Ti -","- C132 H140 N8 P4 Ti4 -","4","1","","Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins","","Organometallics","2005","","","","","10.1021/om0492350","","","0.71073","MoKα","","0.0463","0.0343","","","0.0681","0.0689","","","","","","1.94","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060129","9.1834","0.0009","16.5692","0.0013","20.1712","0.0019","90","","90.541","0.007","90","","3069.1","0.5","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Cl4 N3 P Si2 Zr -","- C20 H36 Cl4 N3 P Si2 Zr -","- C80 H144 Cl16 N12 P4 Si8 Zr4 -","4","1","","Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins","","Organometallics","2005","","","","","10.1021/om0492350","","","0.71073","MoKα","","0.0251","0.0214","","","0.0497","0.05","","","","","","1.823","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060130","10.265","0.003","21.493","0.004","20.721","0.004","90","","93.02","0.01","90","","4565.2","1.8","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Cl2 N4 P2 Zr -","- C52 H48 Cl2 N4 P2 Zr -","- C208 H192 Cl8 N16 P8 Zr4 -","4","1","","Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins","","Organometallics","2005","","","","","10.1021/om0492350","","","0.71073","MoKα","","0.039","0.0295","","","0.0602","0.061","","","","","","1.696","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060131","17.3463","0.0016","10.4371","0.0014","18.6531","0.0019","90","","103.929","0.006","90","","3277.7","0.6","160","2","160","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C80 H78 N4 P2 Zr -","- C80 H78 N4 P2 Zr -","- C160 H156 N8 P4 Zr2 -","2","1","","Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins","","Organometallics","2005","","","","","10.1021/om0492350","","","0.71073","MoKα","","0.0275","0.0261","","","0.0631","0.0633","","","","","","2.165","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060132","15.0737","0.0013","11.8652","0.001","21.633","0.002","90","","101.416","0.005","90","","3792.6","0.6","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39.7 H34.1 Cl0.3 F10 N4 P Zr -","- C39.7 H34.1 Cl0.3 F10 N4 P Zr -","- C158.8 H136.4 Cl1.2 F40 N16 P4 Zr4 -","4","1","","Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins","","Organometallics","2005","","","","","10.1021/om0492350","","","0.71073","MoKα","","0.04","0.0321","","","0.0898","0.0905","","","","","","2.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060133","9.9455","0.0014","12.7251","0.0015","12.9468","0.0014","97.448","0.004","102.867","0.007","90.501","0.008","1582.7","0.3","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 F10 N4 P Zr -","- C33 H27 F10 N4 P Zr -","- C66 H54 F20 N8 P2 Zr2 -","2","1","","Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins","","Organometallics","2005","","","","","10.1021/om0492350","","","0.71073","MoKα","","0.0318","0.0248","","","0.0509","0.0515","","","","","","1.545","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060134","9.307","0.0001","12.97","0.0002","26.584","0.0005","84.106","0.001","83.028","0.001","80.753","0.001","3132.53","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H59 Cl5 O P4 Ru S2 -","- C67 H59 Cl5 O P4 Ru S2 -","- C134 H118 Cl10 O2 P8 Ru2 S4 -","2","1","","Fillaut, Jean-Luc; Perruchon, Johann; Blanchard, Philippe; Roncali, Jean; Golhen, Stéphane; Allain, Magali; Migalsaka-Zalas, Anna; Kityk, Ivan V.; Sahraoui, Bouchta","Design and Synthesis of Ruthenium Oligothienylacetylide Complexes. New Materials for Acoustically Induced Nonlinear Optics","Organometallics","2005","24","4","687","695","10.1021/om049236s","","","0.71073","MoKα","","0.1122","0.0562","","","0.1229","0.1456","","","","","","1.029","","","","has coordinates","219021","2020-10-21","18:00:00",""
"4060135","8.0389","0.0007","7.536","0.001","18.853","0.002","90","","94.48","0.01","90","","1138.6","0.4","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Br O S2 -","- C11 H7 Br O S2 -","- C44 H28 Br4 O4 S8 -","4","1","","Fillaut, Jean-Luc; Perruchon, Johann; Blanchard, Philippe; Roncali, Jean; Golhen, Stéphane; Allain, Magali; Migalsaka-Zalas, Anna; Kityk, Ivan V.; Sahraoui, Bouchta","Design and Synthesis of Ruthenium Oligothienylacetylide Complexes. New Materials for Acoustically Induced Nonlinear Optics","Organometallics","2005","24","4","687","695","10.1021/om049236s","","","0.71073","Mo-Kα","","0.096","0.054","","0.087","","0.083","","","2.038","","","2.084","","","","has coordinates","219021","2020-10-21","18:00:00",""
"4060136","10.9171","0.0012","10.6077","0.0012","16.9229","0.0018","90","","103.965","0.001","90","","1901.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 N2 O2 S2 Yb2 -","- C40 H48 N2 O2 S2 Yb2 -","- C80 H96 N4 O4 S4 Yb4 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om0492606","","","0.71073","MoKα","","0.0236","0.0189","","","0.0435","0.0445","","","","","","0.989","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060137","7.768","0.002","8.653","0.003","14.462","0.004","84.112","0.004","83.848","0.004","89.238","0.004","961.4","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 N O S Yb -","- C20 H24 N O S Yb -","- C40 H48 N2 O2 S2 Yb2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0492606","","","0.71073","MoKα","","0.041","0.0338","","","0.0779","0.0796","","","","","","0.988","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060138","14.052","0.004","8.375","0.003","17.511","0.005","90","","105.223","0.004","90","","1988.6","1.1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 N2 O4 S2 Yb2 -","- C42 H44 N2 O4 S2 Yb2 -","- C84 H88 N4 O8 S4 Yb4 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om0492606","","","0.71073","MoKα","","0.0676","0.044","","","0.1156","0.1214","","","","","","0.947","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060139","11.112","0.006","11.338","0.006","12.039","0.006","115.778","0.005","101.4","0.007","100.963","0.007","1271.7","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H58 N4 O4 S2 Yb2 -","- C54 H58 N4 O4 S2 Yb2 -","- C54 H58 N4 O4 S2 Yb2 -","1","0.5","","","","Organometallics","2005","","","","","10.1021/om0492606","","","0.71073","MoKα","","0.0505","0.0457","","","0.1282","0.1346","","","","","","1.081","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060140","10.101","0.005","18.754","0.005","34.757","0.005","90","0.005","94.11","0.005","90","0.005","6567","4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Li O P Si2 -","- C31 H48 Li O P Si2 -","- C248 H384 Li8 O8 P8 Si16 -","8","2","","A. Moores; N. Mezaiiles; L. Ricard; P. Le Floch","eta5- Rh(I) Complexes of a lamba4-Phosphinine anion: Syntheses, X-ray Crystal Structures and Application in the Catalyzed Hydroformylation of Olefins","Organometallics","2005","","","","","10.1021/om049261y","","","0.71069","MoKα","","0.0798","0.0559","","","0.1468","0.1649","","","","","","1.032","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060141","8.447","0.005","24.218","0.005","9.788","0.005","90","","100.41","0.005","90","","1969.4","1.6","150","0.1","150","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C41 H64 P Rh Si2 -","- C41 H64 P Rh Si2 -","- C82 H128 P2 Rh2 Si4 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om049261y","","","0.71069","MoKα","","0.0523","0.0409","","","0.1051","0.1111","","","","","","1.092","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060142","8.668","0.001","19.379","0.001","18.801","0.001","90","","91.87","0.001","90","","3156.5","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 P Rh -","- C41 H42 P Rh -","- C164 H168 P4 Rh4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049261y","","","0.71069","MoKα","","0.0582","0.04","","","0.0956","0.1033","","","","","","1.021","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060143","9.102","0.001","35.987","0.006","10.833","0.002","90","","92.938","0.011","90","","3543.7","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H58 B Mg N3 -","- C35 H58 B Mg N3 -","- C140 H232 B4 Mg4 N12 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049263i","","","0.71073","MoKα","","0.1052","0.0652","","","0.1931","0.2223","","","","","","0.985","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060144","10.429","0.002","18.902","0.004","19.996","0.004","89.21","0.03","87.62","0.03","75.9","0.03","3819.7","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H119 B2 Br Mg2 N6 O -","- C75 H119 B2 Br Mg2 N6 O -","- C150 H238 B4 Br2 Mg4 N12 O2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om049263i","","","0.71073","MoKα","","0.0769","0.0451","","","0.1171","0.1375","","","","","","0.917","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060145","11.099","0.002","18.001","0.003","18.638","0.003","90","","101.81","0.007","90","","3644.9","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H62 B Mg N3 O -","- C36 H62 B Mg N3 O -","- C144 H248 B4 Mg4 N12 O4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049263i","","","0.71073","MoKα","","0.0831","0.0518","","","0.1326","0.1539","","","","","","1.013","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060146","11.714","0.001","20.926","0.002","16.015","0.003","90","","95.198","0.005","90","","3909.6","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H62 B Mg N3 O -","- C41 H62 B Mg N3 O -","- C164 H248 B4 Mg4 N12 O4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049263i","","","0.71073","MoKα","","0.0733","0.0468","","","0.1413","0.1646","","","","","","0.992","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060147","10.681","0.002","20.118","0.005","17.836","0.006","90","","98.634","0.007","90","","3789.2","1.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H64 B Mg N3 O -","- C38 H64 B Mg N3 O -","- C152 H256 B4 Mg4 N12 O4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049263i","","","0.71073","MoKα","","0.1045","0.0632","","","0.1624","0.193","","","","","","1.028","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060148","18.765","0.002","12.116","0.002","19.797","0.006","90","","116.952","0.008","90","","4012.1","1.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H68 B Mg N3 O -","- C39 H68 B Mg N3 O -","- C156 H272 B4 Mg4 N12 O4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049263i","","","0.71073","MoKα","","0.0502","0.0415","","","0.1061","0.1129","","","","","","1.022","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060149","8.4327","0.0006","10.8085","0.0008","11.9867","0.001","79.068","0.005","76.955","0.005","79.595","0.005","1034.12","0.14","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Mo O6 P -","- C21 H15 Mo O6 P -","- C42 H30 Mo2 O12 P2 -","2","1","","Irina Kalinina, Bruno Donnadieu, Francois Mathey","Reaction of Terminal Phosphinidene Complexes with Acetylenic Alcohols: Intramolecular Hydrophospination of a Phosphirene Ring.","Organometallics","2005","","","","","10.1021/om049272r","","","0.71073","MoKα","","0.0713","0.0401","","","0.0868","0.0975","","","","","","1.028","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060150","10.3259","0.0005","18.5007","0.0008","13.772","0.0006","90","","104.5","0.003","90","","2547.2","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Mo O5 P2 -","- C26 H20 Mo O5 P2 -","- C104 H80 Mo4 O20 P8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049272r","","","0.71073","MoKα","","0.0506","0.0296","","","0.066","0.0739","","","","","","1.001","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060151","12.1134","0.0006","12.2035","0.0006","15.6203","0.0008","90","","112.104","0.003","90","","2139.37","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 O P2 S2 -","- C23 H22 O P2 S2 -","- C92 H88 O4 P8 S8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049272r","","","0.71073","MoKα","","0.0521","0.0355","","","0.0892","0.094","","","","","","1.056","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060152","15.027","0.0011","12.9006","0.001","16.5083","0.0012","90","","108.586","0.001","90","","3033.3","0.4","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 O2 Si Zr -","- C30 H46 O2 Si Zr -","- C120 H184 O8 Si4 Zr4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049273j","","","0.71073","MoKα","","0.033","0.0256","","","0.0689","0.0731","","","","","","1.029","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060153","18.5194","0.0008","18.5194","0.0008","19.4228","0.0011","90","","90","","90","","6661.4","0.6","243","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C30 H52 Cl2 Si2 Zr -","- C30 H52 Cl2 Si2 Zr -","- C240 H416 Cl16 Si16 Zr8 -","8","0.5","","","","Organometallics","2005","","","","","10.1021/om049273j","","","0.71073","MoKα","","0.0263","0.0207","","","0.0531","0.0553","","","","","","1.003","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060154","15.0015","0.0016","12.9491","0.0014","16.3565","0.0018","90","","108.309","0.002","90","","3016.5","0.6","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl2 Si Zr -","- C28 H46 Cl2 Si Zr -","- C112 H184 Cl8 Si4 Zr4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049273j","","","0.71073","MoKα","","0.0274","0.023","","","0.0602","0.063","","","","","","1.051","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060155","12.2632","0.0007","10.4353","0.0006","13.2677","0.0007","90","","94.028","0.001","90","","1693.68","0.16","243","2","243","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C32 H52 O2 Si2 Zr -","- C32 H52 O2 Si2 Zr -","- C64 H104 O4 Si4 Zr2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om049273j","","","0.71073","MoKα","","0.0261","0.0246","","","0.0665","0.0674","","","","","","1.118","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060156","10.1484","0.0006","17.0564","0.0009","19.3917","0.0011","90","","90.57","0.001","90","","3356.4","0.3","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 Cl Si Zr -","- C34 H51 Cl Si Zr -","- C136 H204 Cl4 Si4 Zr4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049273j","","","0.71073","MoKα","","0.0422","0.03","","","0.0752","0.0794","","","","","","1.037","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060157","10.6813","0.0009","12.4062","0.001","16.7086","0.0014","75.039","0.001","85.648","0.002","70.834","0.002","2020.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ir4(CO)7(mu-CO)3{kappa2-Ph2P(o-C6H4)PPh2}","","- C40 H24 Ir4 O10 P2 -","- C40 H24 Ir4 O10 P2 -","- C80 H48 Ir8 O20 P4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om049303i","","","0.71073","MoKα","","0.0731","0.054","","","0.1206","0.1284","","","","","","1.082","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060158","16.301","0.003","24.121","0.005","17.57","0.004","90","","107.518","0.004","90","","6588","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ir4(CO)6(mu-CO){mu3-kappa2-Ph2P(o-C6H4)P(eta1-o-C6H4)}(mu3-eta2:eta2:eta2-C60)","","- C92 H18 Ir4 O7 P2 S2 -","- C92 H18 Ir4 O7 P2 S2 -","- C368 H72 Ir16 O28 P8 S8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049303i","","","0.71073","MoKα","","0.1103","0.0813","","","0.2001","0.213","","","","","","1.141","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060159","16.242","0.004","9.887","0.002","13.764","0.003","90","","123.231","0.004","90","","1848.7","0.7","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(1) [Al(CH3)2(OTHF)]2","","","- C14 H28 Al2 O4 -","- C14 H28 Al2 O4 -","- C56 H112 Al8 O16 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om0493199","","","0.71073","MoKα","","0.1168","0.0874","","","0.2472","0.276","","","","","","1.08","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060160","15.3187","0.0016","7.9024","0.0008","18.3558","0.0019","90","","96.019","0.002","90","","2209.8","0.4","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(2) [Al(Et)2(OTHF)]2","","","- C18 H38 Al2 O4 -","- C18 H38 Al2 O4 -","- C72 H152 Al8 O16 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0493199","","","0.71073","MoKα","","0.0945","0.0763","","","0.1912","0.2064","","","","","","1.027","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060161","9.298","0.002","9.535","0.002","10.182","0.003","91.508","0.004","109.772","0.004","115.18","0.004","753.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(3) [Al(Bui)2(OTHF)]2","","","- C26 H54 Al2 O4 -","- C26 H54 Al2 O4 -","- C26 H54 Al2 O4 -","1","0.5","","","","Organometallics","2005","","","","","10.1021/om0493199","","","0.71073","MoKα","","0.0771","0.0698","","","0.1808","0.1882","","","","","","1.065","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060162","7.9767","0.0008","13.2255","0.0013","14.4924","0.0015","85.607","0.002","81.167","0.002","76.769","0.002","1469.3","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","(4) [Al(Me)(DMP)(OTHF)]2","","","- C28 H42 Al2 O6 -","- C28 H42 Al2 O6 -","- C56 H84 Al4 O12 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0493199","","","0.71073","MoKα","","0.0916","0.0783","","","0.1785","0.1885","","","","","","1.026","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060163","12.793","0.002","14.875","0.003","16.615","0.003","90","","110.777","0.003","90","","2956.2","0.9","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(5a) [Al2(CH3)3(OTHF)2(DBP)]","","","- C27 H48 Al2 O5 -","- C27 H48 Al2 O5 -","- C108 H192 Al8 O20 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0493199","","","0.71073","MoKα","","0.1079","0.0746","","","0.156","0.1722","","","","","","1.042","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060164","9.684","0.0016","12.117","0.002","17.288","0.003","90","","92.609","0.003","90","","2026.4","0.6","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(5b) [Al(CH3)(DBP)(OTHF)]","","","- C40 H66 Al2 O6 -","- C40 H66 Al2 O6 -","- C80 H132 Al4 O12 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om0493199","","","0.71073","MoKα","","0.0782","0.063","","","0.1585","0.1713","","","","","","1.039","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060165","11.542","0.003","19.145","0.005","23.515","0.006","90","","98.444","0.004","90","","5140","2","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(6) [Al(CH3)(TPS)(OTHF)]2","","","- C55 H62 Al2 O6 Si2 -","- C48 Al2 O6 Si2 -","- C192 Al8 O24 Si8 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om0493199","","","0.71073","MoKα","","0.1339","0.0977","","","0.2695","0.2968","","","","","","1.04","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060166","10.455","0.001","15.746","0.001","19.817","0.002","90","","98.645","0.001","90","","3225","0.6","173.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 O4 Si4 -","- C24 H56 O4 Si4 -","- C96 H224 O16 Si16 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049324c","","","0.7107","MoKα","","","0.084","","","","0.2412","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060167","11.0665","0.0004","18.2356","0.0007","21.304","0.0007","90","","91.736","0.002","90","","4297.3","0.3","173.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H70 O7 Si6 -","- C30 H70 O7 Si6 -","- C120 H280 O28 Si24 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049324c","","","0.7107","MoKα","","","0.0628","","","","0.1642","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060168","33.67","0.003","16.227","0.002","26.185","0.002","90","","131.22","0.004","90","","10761","1","173.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 O10 Si8 -","- C36 H84 O10 Si8 -","- C288 H672 O80 Si64 -","8","1","","","","Organometallics","2005","","","","","10.1021/om049324c","","","0.7107","MoKα","","","0.0975","","","","0.2793","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060169","11.552","0.002","18.738","0.003","9.449","0.001","98.28","0.01","104.711","0.008","100.054","0.006","1909.4","0.5","286.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H112 O16 Si12 -","- C48 H112 O16 Si12 -","- C48 H112 O16 Si12 -","1","0.5","","","","Organometallics","2005","","","","","10.1021/om049324c","","","0.7107","MoKα","","","0.0918","","","","0.3161","","","","","","1.388","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060170","14.922","0.003","15.2334","0.0018","17.253","0.003","90","","95.452","0.008","90","","3904.1","1.2","253","2","253","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H49 F3 O2 Ru2 Si2 -","- C40 H49 F3 O2 Ru2 Si2 -","- C160 H196 F12 O8 Ru8 Si8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049328h","","","0.71069","MoKα","","0.085","0.0493","","","0.1034","0.1145","","","","","","0.942","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060171","13.3038","0.0019","17.652","0.003","12.608","0.003","104.194","0.017","110.127","0.013","78.481","0.014","2673.5","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H71 O3 Ru2 Si2 -","- C57.76 H56 O2.95 Ru2 Si2 -","- C115.52 H112 O5.9 Ru4 Si4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om049328h","","","0.71069","MoKα","","0.1017","0.0651","","","0.1586","0.1774","","","","","","1.032","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060172","18.9468","0.0011","8.5865","0.0005","16.3021","0.001","90","","113.159","0.001","90","","2438.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H64 Cl2 O2 P6 Ru2 -","- C30 H64 Cl2 O2 P6 Ru2 -","- C60 H128 Cl4 O4 P12 Ru4 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om0493659","","","0.71073","MoKα","","0.0468","0.0319","","","0.0693","0.0751","","","","","","0.999","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060173","10.6856","0.0001","16.1559","0.0001","17.8511","0.0002","90","","90","","90","","3081.73","0.05","297","2","297","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cl2 Fe P Pd S -","- C34 H31 Cl2 Fe P Pd S -","- C136 H124 Cl8 Fe4 P4 Pd4 S4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0493762","","","1.54178","CuKα","","0.0318","0.0313","","","0.0804","0.0808","","","","","","1.035","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060174","10.1917","0.0001","10.5343","0.0001","14.0443","0.0002","82.582","0.001","80.678","0.001","79.056","0.001","1453.31","0.03","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C27 H29 Cl4 Fe P Pt S -","- C27 H29 Cl4 Fe P Pt S -","- C54 H58 Cl8 Fe2 P2 Pt2 S2 -","2","2","","","","Organometallics","2005","","","","","10.1021/om0493762","","","1.54178","CuKα","","0.0376","0.0375","","","0.0952","0.0953","","","","","","1.048","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060175","14.2647","0.0004","10.9838","0.0003","10.693","0.0002","90","","90.252","0.001","90","","1675.37","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Fe O2 -","- C20 H22 Fe O2 -","- C80 H88 Fe4 O8 -","4","1","","","","Organometallics","2005","","","","","","","","0.71069","MoKα","","0.0524","0.0371","","","0.0812","0.0882","","","","","","1.031","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060176","12.3936","0.0003","10.4536","0.0002","26.6811","0.0005","90","","90","","90","","3456.74","0.12","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H22 Co4 Fe O14 -","- C32 H22 Co4 Fe O14 -","- C128 H88 Co16 Fe4 O56 -","4","0.5","","","","Organometallics","2005","","","","","","","","0.71069","MoKα","","0.0384","0.0327","","","0.09","0.1067","","","","","","1.202","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060177","12.4781","0.0002","22.37","0.0003","27.1757","0.0004","90","","90.079","0.001","90","","7585.68","0.19","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Co4 Fe O12 S2 -","- C35 H26 Co4 Fe O12 S2 -","- C280 H208 Co32 Fe8 O96 S16 -","8","2","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.095","0.0659","","","0.1444","0.161","","","","","","1.091","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060178","8.1828","0.0001","34.1578","0.0003","14.6109","0.0001","90","","102.049","0.001","90","","3993.87","0.07","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Co4 Fe O12 S3 -","- C36 H28 Co4 Fe O12 S3 -","- C144 H112 Co16 Fe4 O48 S12 -","4","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0452","0.0297","","","0.0963","0.133","","","","","","1.257","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060179","14.498","0.0005","10.8391","0.0003","14.0975","0.0004","90","","108.514","0.001","90","","2100.7","0.11","180","2","180","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C38 H32 Co4 Fe O14 S2 -","- C38 H32 Co4 Fe O14 S2 -","- C76 H64 Co8 Fe2 O28 S4 -","2","0.5","","","","Organometallics","2005","","","","","","","","0.71069","MoKα","","0.0494","0.0413","","","0.1088","0.115","","","","","","1.064","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060180","8.4267","0.0001","30.2975","0.0004","13.43","0.0002","90","","106.568","0.001","90","","3286.43","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 Co4 Fe O12 -","- C32 H18 Co4 Fe O12 -","- C128 H72 Co16 Fe4 O48 -","4","1","","","","Organometallics","2005","","","","","","","","0.71069","MoKα","","0.0971","0.0625","","","0.1596","0.2036","","","","","","1.036","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060181","10.4245","0.0012","12.8985","0.0015","18.323","0.002","90","","103.951","0.002","90","","2391","0.5","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Al Cl2 Y -","- C22 H36 Al Cl2 Y -","- C88 H144 Al4 Cl8 Y4 -","4","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0317","0.0268","","","0.0705","0.073","","","","","","1.071","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060182","8.8505","0.001","9.5965","0.0011","16.7001","0.0019","85.234","0.002","77.644","0.002","69.362","0.002","1296.6","0.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Al Cl2 Y -","- C24 H40 Al Cl2 Y -","- C48 H80 Al2 Cl4 Y2 -","2","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0221","0.0206","","","0.0521","0.053","","","","","","1.05","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060183","12.481","0.002","12.996","0.002","20.233","0.004","71.826","0.003","79.651","0.003","79.978","0.003","3042.8","0.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 Al Cl2 Y -","- C28 H48 Al Cl2 Y -","- C112 H192 Al4 Cl8 Y4 -","4","2","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0646","0.0405","","","0.1042","0.1151","","","","","","1.039","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060184","12.5407","0.0014","13.0117","0.0015","20.34","0.002","71.891","0.002","79.783","0.002","79.527","0.002","3076","0.6","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 Al Cl2 Sm -","- C28 H48 Al Cl2 Sm -","- C112 H192 Al4 Cl8 Sm4 -","4","2","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0463","0.0306","","","0.0746","0.084","","","","","","1.053","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060185","10.5377","0.0003","12.8976","0.0004","18.4332","0.0006","90","","103.885","0.001","90","","2432.07","0.13","189","2","189","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Al Cl2 Sm -","- C22 H36 Al Cl2 Sm -","- C88 H144 Al4 Cl8 Sm4 -","4","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0258","0.0199","","","0.044","0.0461","","","","","","1.075","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060186","12.4653","0.0004","15.0338","0.0005","17.6839","0.0006","92.455","0.001","96.475","0.001","93.751","0.001","3281.57","0.19","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H58 Al O Sm -","- C32 H58 Al O Sm -","- C128 H232 Al4 O4 Sm4 -","4","2","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0386","0.0313","","","0.0741","0.0783","","","","","","1.051","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060187","17.5839","0.0007","8.8091","0.0003","22.9626","0.0009","90","","108.353","0.001","90","","3375.9","0.2","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H57 Al Cl Y -","- C32 H57 Al Cl Y -","- C128 H228 Al4 Cl4 Y4 -","4","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0538","0.038","","","0.0958","0.1026","","","","","","1.044","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060188","8.6649","0.0007","10.6166","0.0009","15.1444","0.0013","91.701","0.002","91.785","0.002","98.111","0.002","1377.7","0.2","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H45 Al Cl Y -","- C26 H45 Al Cl Y -","- C52 H90 Al2 Cl2 Y2 -","2","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.078","0.0572","","","0.1326","0.1451","","","","","","1.058","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060189","11.3012","0.0008","11.6036","0.0008","11.8415","0.0008","114.723","0.001","91.579","0.001","107.062","0.001","1328.08","0.16","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Al Cl2 Sm -","- C24 H40 Al Cl2 Sm -","- C48 H80 Al2 Cl4 Sm2 -","2","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0274","0.0248","","","0.0644","0.0659","","","","","","1.085","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060190","12.394","0.003","10.756","0.002","31.271","0.006","90","","94.08","0.03","90","","4158.1","1.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55 Cl N2 O Os P2 -","- C46 H47 Cl N2 O Os P2 -","- C184 H188 Cl4 N8 O4 Os4 P8 -","4","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0667","0.0398","","","0.0775","0.0879","","","","","","1.026","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060191","11.084","0.002","12.023","0.002","14.243","0.003","88.11","0.03","76.3","0.03","78.09","0.03","1804","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 N2 Os P2 -","- C42 H46 N2 Os P2 -","- C84 H92 N4 Os2 P4 -","2","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0365","0.0264","","","0.0545","0.0575","","","","","","1.052","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060192","13.671","0.0002","10.6703","0.0002","30.0074","0.0006","90","","93.779","0.001","90","","4367.77","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H56 N4 O Os P2 -","- C49 H56 N4 O Os P2 -","- C196 H224 N16 O4 Os4 P8 -","4","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0472","0.033","","","0.0677","0.0727","","","","","","1.041","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060275","22.058","0.004","18.543","0.004","25.931","0.005","90","","109.2","0.03","90","","10017","3","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H130 N12 Na4 P6 Sn2 -","- C79 H130 N12 Na4 P6 Sn2 -","- C316 H520 N48 Na16 P24 Sn8 -","4","0.5","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Pask, Christopher M.; Stead, Matthew L.; Woods, Anthony D.; Wright, Dominic S.","Reactions of Sn(NMe~2~)~2~ with Primary Aryl Phosphides, ArPH-: Synthesis and Structures of the Heteroleptic Cages [{(PhP‒PPh)Sn(μ-PPh)}~2~(Na·PMDETA)~4~ and [{Sn(μ~3~-Ppy)}~3~{Sn(μ~3~,μ~1~-pyP‒Ppy)}~3~]","Organometallics","2005","24","8","1813","1818","10.1021/om049177i","","","","","","","","","","","","","","","","","","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060276","11.81","0.002","14.816","0.003","19.365","0.004","90.93","0.03","92.14","0.03","101.67","0.03","3315","1.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H56 N9 O2.5 P9 Sn6 -","- C55 H56 N9 O2.5 P9 Sn6 -","- C110 H112 N18 O5 P18 Sn12 -","2","1","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Pask, Christopher M.; Stead, Matthew L.; Woods, Anthony D.; Wright, Dominic S.","Reactions of Sn(NMe~2~)~2~ with Primary Aryl Phosphides, ArPH-: Synthesis and Structures of the Heteroleptic Cages [{(PhP‒PPh)Sn(μ-PPh)}~2~(Na·PMDETA)~4~ and [{Sn(μ~3~-Ppy)}~3~{Sn(μ~3~,μ~1~-pyP‒Ppy)}~3~]","Organometallics","2005","24","8","1813","1818","10.1021/om049177i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060277","11.699","0.004","12.52","0.005","13.149","0.005","90","","94.534","0.006","90","","1920","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 B F4 O2 Ru S -","- C20 H15 B F4 O2 Ru S -","- C80 H60 B4 F16 O8 Ru4 S4 -","4","1","","Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.","Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes","Organometallics","2005","24","9","2168","2176","10.1021/om048973l","","","0.71073","MoKα","","0.0744","0.0677","","","0.2006","0.2083","","","","","","1.1","","","","has coordinates","180559","2020-10-21","18:00:00",""
"4060278","9.3637","0.0008","10.4141","0.0009","11.7381","0.0009","73.448","0.001","69.504","0.001","88.382","0.002","1024.48","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H17 B F4 O2 Ru S -","- C21 H17 B F4 O2 Ru S -","- C42 H34 B2 F8 O4 Ru2 S2 -","2","1","","Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.","Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes","Organometallics","2005","24","9","2168","2176","10.1021/om048973l","","","0.71073","MoKα","","0.038","0.0311","","","0.0775","0.0803","","","","","","1.018","","","","has coordinates","180559","2020-10-21","18:00:00",""
"4060279","9.394","0.004","11.003","0.005","19.963","0.009","90","","98.66","0.008","90","","2039.7","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 B F4 O2 Ru S -","- C21 H17 B F4 O2 Ru S -","- C84 H68 B4 F16 O8 Ru4 S4 -","4","1","","Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.","Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes","Organometallics","2005","24","9","2168","2176","10.1021/om048973l","","","0.71073","MoKα","","0.0833","0.0787","","","0.1925","0.1945","","","","","","1.222","","","","has coordinates","180559","2020-10-21","18:00:00",""
"4060280","21.851","0.003","12.4144","0.0019","11.4185","0.0017","90","","90","","90","","3097.5","0.8","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H24 Cr N S2 -","- C14 H24 Cr N S2 -","- C112 H192 Cr8 N8 S16 -","8","2","","","","Organometallics","2005","","","","","10.1021/om048974d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060281","17.055","0.003","14.284","0.003","10.7461","0.0018","90","","98.528","0.004","90","","2589","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Cr2 I2 O2 -","- C22 H36 Cr2 I2 O2 -","- C88 H144 Cr8 I8 O8 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om048974d","","","","","","","","","","","","","","","","","","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060282","8.3413","0.0004","16.3247","0.0009","10.1685","0.0005","90","","102.608","0.001","90","","1351.25","0.12","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cr2 I2 O2 -","- C24 H40 Cr2 I2 O2 -","- C48 H80 Cr4 I4 O4 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om048974d","","","","","","","","","","","","","","","","","","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060283","12.046","0.0007","12.7116","0.0008","19.6454","0.0011","108.029","0.001","95.961","0.002","107.813","0.002","2657.1","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H76 Cr4 I O8 P -","- C47.5 H76 Cr4 I O8 P -","- C95 H152 Cr8 I2 O16 P2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om048974d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060284","12.2582","0.0015","12.9503","0.0015","19.721","0.003","107.471","0.003","96.077","0.003","108.788","0.003","2755.1","0.6","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H73.5 Cr4 F6 N0.5 O8 P2 -","- C45 H73.5 Cr4 F6 N0.5 O8 P2 -","- C90 H147 Cr8 F12 N O16 P4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om048974d","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060285","8.4092","0.0002","16.4799","0.0004","17.9447","0.0004","90","","90","","90","","2486.83","0.1","120","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Cl2 N3 O2 Rh -","- C25 H30 Cl2 N3 O2 Rh -","- C100 H120 Cl8 N12 O8 Rh4 -","4","1","","Darío Cuervo; Josefina Díez; M. Pilar Gamasa; José Gimeno","One-pot stereoselective synthesis of organorhodium(III) complexes containing the chiral ligand 2,6-bis[4’-(S)-isopropyloxazolin-2’-yl]pyridine (iPr-pybox)","Organometallics","2005","","","","","10.1021/om0489756","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060286","11.0634","0.0005","12.2919","0.0003","34.5207","0.0013","90","","90","","90","","4694.5","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 Cl3 N6 O7 Rh2 -","- C37 H52 Cl3 F3 N6 O7 Rh2 S -","- C148 H208 Cl12 F12 N24 O28 Rh8 S4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0489756","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060287","12.574","0.001","16.472","0.001","18.363","0.002","90","","92.06","0.01","90","","3800.9","0.6","228","2","228","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H60 B8 Fe2 N2 Si4 -","- C22 H60 B8 Fe2 N2 Si4 -","- C88 H240 B32 Fe8 N8 Si16 -","4","1","","Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel","Organometallics","2005","24","9","2177","2187","10.1021/om048982u","","","0.71073","MoKα","","0.051","0.037","","","0.084","0.09","","","","","","1.075","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060288","10.932","0.002","12.939","0.003","22.815","0.005","90","","90","","90","","3227.2","1.1","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H44 B8 Fe Si4 -","- C16 H44 B8 Fe Si4 -","- C64 H176 B32 Fe4 Si16 -","4","1","","Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel","Organometallics","2005","24","9","2177","2187","10.1021/om048982u","","","0.71073","MoKα","","0.222","0.097","","","0.186","0.246","","","","","","1.023","","","","has coordinates","133915","2020-10-21","18:00:00",""
"4060289","11.562","0.002","15.644","0.004","17.925","0.004","89.85","0.02","76.21","0.02","86.52","0.02","3142.7","1.2","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H95 B8 Cl5 Co4 N6 Si4 -","- C37 H95 B8 Cl5 Co4 N6 Si4 -","- C74 H190 B16 Cl10 Co8 N12 Si8 -","2","1","","Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel","Organometallics","2005","24","9","2177","2187","10.1021/om048982u","","","0.71073","MoKα","","0.038","0.03","","","0.071","0.076","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060290","8.329","0.002","19.648","0.006","14.57","0.004","90","","94.38","0.02","90","","2377.4","1.1","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H38 B4 Co N2 Si2 -","- C14 H38 B4 Co N2 Si2 -","- C56 H152 B16 Co4 N8 Si8 -","4","1","","Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel","Organometallics","2005","24","9","2177","2187","10.1021/om048982u","","","0.71073","MoKα","","0.065","0.041","","","0.089","0.101","","","","","","1.038","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060291","17.788","0.005","10.13","0.002","21.049","0.005","90","","112.33","0.02","90","","3508.4","1.5","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H55 B8 N2 Ni Si4 -","- C21 H55 B8 N2 Ni Si4 -","- C84 H220 B32 N8 Ni4 Si16 -","4","1","","Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel","Organometallics","2005","24","9","2177","2187","10.1021/om048982u","","","0.71073","MoKα","","0.051","0.034","","","0.08","0.089","","","","","","1.034","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060292","12.3343","0.001","12.6118","0.001","13.4358","0.0011","90","","95.913","0.002","90","","2078.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl Os P -","- C22 H30 Cl Os P -","- C88 H120 Cl4 Os4 P4 -","4","1","","Baya, Miguel; Buil, María L.; Esteruelas, Miguel A.; Oñate, Enrique","Ene-Type Reactions between an α-Alkenylphosphine and Terminal Alkynes Promoted by Osmium-Cyclopentadienyl Fragments","Organometallics","2005","24","9","2030","2038","10.1021/om0489857","","","0.71073","MoKα","","0.0576","0.0297","","","0.0365","0.0402","","","","","","0.655","","","","has coordinates","219028","2020-10-21","18:00:00",""
"4060293","7.6298","0.0005","11.3416","0.0007","14.0086","0.0008","103.785","0.001","95.97","0.001","91.487","0.001","1169.3","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H34 Cl Os P -","- C24.5 H23 Cl Os P -","- C49 H46 Cl2 Os2 P2 -","2","1","","Baya, Miguel; Buil, María L.; Esteruelas, Miguel A.; Oñate, Enrique","Ene-Type Reactions between an α-Alkenylphosphine and Terminal Alkynes Promoted by Osmium-Cyclopentadienyl Fragments","Organometallics","2005","24","9","2030","2038","10.1021/om0489857","","","0.71073","MoKα","","0.0321","0.0285","","","0.0627","0.0636","","","","","","1.002","","","","has coordinates,has disorder","219028","2020-10-21","18:00:00",""
"4060294","23.6273","0.0012","26.241","0.0013","24.4746","0.0012","90","","105.529","0.001","90","","14620.4","1.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","holph13","","","- C71 H75 B F24 Fe N2 O -","- C71 H75 B F24 Fe N2 O -","- C568 H600 B8 F192 Fe8 N16 O8 -","8","2","","","","Organometallics","2005","","","","","10.1021/om0489913","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060295","12.7104","0.0009","17.6036","0.0012","19.498","0.0014","111.046","0.001","98.37","0.001","92.192","0.001","4008.9","0.5","293","2","193","2","","","","","","","","7","P -1","-P 1","2","holeg01","","","- C75 H81 B F24 Fe N4 O3 -","- C75 H81 B F24 Fe N4 O3 -","- C150 H162 B2 F48 Fe2 N8 O6 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0489913","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060296","18.1049","0.0009","24.4665","0.0013","18.9489","0.001","90","","96.345","0.001","90","","8342.3","0.7","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","holeg03","","","- C80 H93 B F24 Fe N2 O4 -","- C80 H93 B F24 Fe N2 O4 -","- C320 H372 B4 F96 Fe4 N8 O16 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0489913","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060297","9.7665","0.0004","10.2755","0.0004","14.8114","0.0006","85.0567","0.0007","75.6702","0.0007","78.2575","0.0007","1409.02","0.1","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 S2 Si2 -","- C30 H34 S2 Si2 -","- C60 H68 S4 Si4 -","2","1","","Harrison, Daniel J.; McDonald, Robert; Rosenberg, Lisa","Borane catalysed hydrosilation of thiobenzophenone: a new silicon-sulfur bond forming reaction","Organometallics","2005","","","","","10.1021/om048993n","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060298","12.238","0.004","15.096","0.004","17.226","0.005","90","","95.811","0.005","90","","3166","1.6","223.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H53 Co Si3 -","- C28 H53 Co Si3 -","- C112 H212 Co4 Si12 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0490029","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060299","13.634","0.003","14.564","0.003","15.718","0.003","91.36","0.03","90.16","0.03","94.02","0.03","3112.4","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H84 N4 P3 Si4 Ta2 -","- C60 H84 N4 P3 Si4 Ta2 -","- C120 H168 N8 P6 Si8 Ta4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0490076","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060300","17.049","0.0007","14.5931","0.0005","25.6519","0.0009","90","","97.55","0.001","90","","6326.8","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H91 N4 P3 Si4 Ta2 -","- C58 H91 N4 P3 Si4 Ta2 -","- C232 H364 N16 P12 Si16 Ta8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0490076","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060301","21.919","0.005","19.441","0.004","16.339","0.004","90","","104.285","0.004","90","","6747","3","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 B2 F8 O4.5 P2 Pd2 -","- C21 H36 B2 F8 O4.5 P2 Pd2 -","- C168 H288 B16 F64 O36 P16 Pd16 -","8","1","","","","Organometallics","2005","","","","","10.1021/om049009q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060302","10.6113","0.0001","11.2399","0.0001","13.7102","0.0002","88.8081","0.0005","69.2081","0.0005","74.7048","0.0005","1469.76","0.03","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H15 B Cl2 F15 O Ta -","- C28 H15 B Cl2 F15 O Ta -","- C56 H30 B2 Cl4 F30 O2 Ta2 -","2","1","","Sánchez-Nieves, Javier; Frutos, Luis M.; Royo, Pascual; Castaño, Obis; Herdtweck, Eberhardt","Trapping Unstable Terminal Ta-O Multiple Bonds of Monocyclopentadienyl Tantalum Complexes with a Lewis Acid","Organometallics","2005","24","8","2004","2007","10.1021/om049012+","","","0.71073","MoKα","","0.0237","0.0226","","","0.0588","0.0593","","","","","","1.102","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060303","10.969","0.004","19.069","0.008","11.416","0.005","90","","101.459","0.007","90","","2340.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 O2 S2 Yb4 -","- C48 H56 O2 S2 Yb4 -","- C96 H112 O4 S4 Yb8 -","2","0.5","","Sanchez-Nieves, J.; Frutos, L. M.; Royo, P.; Castano, O.; Herdtweck, E.","Trapping Unstable Terminal Ta-O Multiple Bonds of Monocyclopentadienyl Tantalum Complexes with a Lewis Acid","Organometallics","2005","","","","","10.1021/om0490132","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060304","8.132","0.003","21.599","0.008","8.376","0.003","90","","109.02","0.005","90","","1390.8","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 O2 S2 Yb2 -","- C28 H36 O2 S2 Yb2 -","- C56 H72 O4 S4 Yb4 -","2","1","","Sanchez-Nieves, J.; Frutos, L. M.; Royo, P.; Castano, O.; Herdtweck, E.","Trapping Unstable Terminal Ta-O Multiple Bonds of Monocyclopentadienyl Tantalum Complexes with a Lewis Acid","Organometallics","2005","","","","","10.1021/om0490132","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060305","29.059","0.007","27.865","0.007","17.086","0.004","90","","115.418","0.003","90","","12496","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 S2 Yb2 -","- C22 H26 S2 Yb2 -","- C440 H520 S40 Yb40 -","20","2.5","","Sanchez-Nieves, J.; Frutos, L. M.; Royo, P.; Castano, O.; Herdtweck, E.","Trapping Unstable Terminal Ta-O Multiple Bonds of Monocyclopentadienyl Tantalum Complexes with a Lewis Acid","Organometallics","2005","","","","","10.1021/om0490132","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060306","11.064","0.002","19.121","0.004","11.45","0.002","90","","101.57","0.004","90","","2373.1","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 O2 S2 Y4 -","- C48 H56 O2 S2 Y4 -","- C96 H112 O4 S4 Y8 -","2","0.5","","Sanchez-Nieves, J.; Frutos, L. M.; Royo, P.; Castano, O.; Herdtweck, E.","Trapping Unstable Terminal Ta-O Multiple Bonds of Monocyclopentadienyl Tantalum Complexes with a Lewis Acid","Organometallics","2005","","","","","10.1021/om0490132","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060307","9.181","0.004","17.772","0.009","8.877","0.004","90","","104.688","0.007","90","","1401","1.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 S2 Y2 -","- C28 H38 S2 Y2 -","- C56 H76 S4 Y4 -","2","0.5","","Sanchez-Nieves, J.; Frutos, L. M.; Royo, P.; Castano, O.; Herdtweck, E.","Trapping Unstable Terminal Ta-O Multiple Bonds of Monocyclopentadienyl Tantalum Complexes with a Lewis Acid","Organometallics","2005","","","","","10.1021/om0490132","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060308","6.9618","0.0004","9.6073","0.0008","16.1541","0.0009","73.219","0.003","89.975","0.003","81.823","0.003","1022.98","0.12","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H20 N O5 P Si2 W -","- C13 H20 N O5 P Si2 W -","- C26 H40 N2 O10 P2 Si4 W2 -","2","1","","Ionescu, Emanuel; von Frantzius, Gerd; Jones, Peter G.; Streubel, Rainer","Photochemical and Thermal Reactions of a 2H-Azaphosphirene Complex with Isonitriles","Organometallics","2005","24","9","2237","2240","10.1021/om049014u","","","0.71073","MoKα","","0.0185","0.0159","","","0.0341","0.0346","","","","","","0.998","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060309","9.57","0.003","16.823","0.006","22.097","0.007","83.487","0.007","78.19","0.006","74.605","0.006","3351","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.5 H25 Cl N2 O7 P Re -","- C33.5 H25 Cl N2 O7 P Re -","- C134 H100 Cl4 N8 O28 P4 Re4 -","4","2","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Victor; Seitz, Markus; Miguel, Daniel","Activation of Ancillary Ligands in the Reactions of DMAD with Phosphido and Alkylideneamido Rhenium Complexes","Organometallics","2005","24","7","1772","1775","10.1021/om049019r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060310","8.792","0.002","11.201","0.003","17.928","0.004","91.53","0.003","98.082","0.003","109.195","0.003","1645.8","0.6","299","2","299","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H26 Cl2 N2 O7 P Re -","- C34 H26 Cl2 N2 O7 P Re -","- C68 H52 Cl4 N4 O14 P2 Re2 -","2","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Victor; Seitz, Markus; Miguel, Daniel","Activation of Ancillary Ligands in the Reactions of DMAD with Phosphido and Alkylideneamido Rhenium Complexes","Organometallics","2005","24","7","1772","1775","10.1021/om049019r","","","","","","","","","","","","","","","","","","","","","has coordinates","133830","2020-10-21","18:00:00",""
"4060311","9.451","0.003","17.881","0.005","18.285","0.005","90","","102.054","0.006","90","","3021.9","1.5","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N3 O7 Re -","- C32 H24 N3 O7 Re -","- C128 H96 N12 O28 Re4 -","4","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Victor; Seitz, Markus; Miguel, Daniel","Activation of Ancillary Ligands in the Reactions of DMAD with Phosphido and Alkylideneamido Rhenium Complexes","Organometallics","2005","24","7","1772","1775","10.1021/om049019r","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060312","15.0212","0.0002","15.1626","0.0002","17.7726","0.0003","73.664","0.001","72.235","0.001","79.629","0.001","3679.55","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H36 Au3 Cl30 N Tl2 -","- C52 H36 Au3 Cl30 N Tl2 -","- C104 H72 Au6 Cl60 N2 Tl4 -","2","1","","Eva Hevia; Dolores Morales; Julio Perez; Victor Riera; Markus Seitz; Daniel Miguel","Activation of ancillary ligands in the reactions of DMAD with phosphido and alkylideneamido rhenium complexes","Organometallics","2005","","","","","10.1021/om049021i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060313","12.2466","0.0001","28.2173","0.0004","15.1129","0.0002","90","","108.925","0.001","90","","4940.19","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Au2 Cl8 F12 N Tl -","- C40 H36 Au2 Cl8 F12 N Tl -","- C160 H144 Au8 Cl32 F48 N4 Tl4 -","4","1","","Eva Hevia; Dolores Morales; Julio Perez; Victor Riera; Markus Seitz; Daniel Miguel","Activation of ancillary ligands in the reactions of DMAD with phosphido and alkylideneamido rhenium complexes","Organometallics","2005","","","","","10.1021/om049021i","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060314","12.092","0.0001","28.5736","0.0003","15.4221","0.0002","90","","107.365","0.001","90","","5085.66","0.09","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Au2 Cl14 F6 N Tl -","- C40 H36 Au2 Cl14 F6 N Tl -","- C160 H144 Au8 Cl56 F24 N4 Tl4 -","4","1","","Eva Hevia; Dolores Morales; Julio Perez; Victor Riera; Markus Seitz; Daniel Miguel","Activation of ancillary ligands in the reactions of DMAD with phosphido and alkylideneamido rhenium complexes","Organometallics","2005","","","","","10.1021/om049021i","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060315","13.432","0.0013","10.5988","0.001","16.2393","0.0015","90","","113.411","0.009","90","","2121.6","0.3","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H31 Cl3 N3 O0.5 P Ru -","- C17.5 H31 Cl3 N3 O0.5 P Ru -","- C70 H124 Cl12 N12 O2 P4 Ru4 -","4","1","","Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano","Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study","Organometallics","2005","24","9","2114","2123","10.1021/om049022a","","","0.71073","MoKα","","0.0513","0.0426","","","0.1101","0.1147","","","","","","1.022","","","","has coordinates,has disorder","180562","2020-10-21","18:00:00",""
"4060316","10.579","0.002","12.7402","0.0009","20.977","0.004","90","","101.171","0.016","90","","2773.7","0.8","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cl8 N3 Os P -","- C18 H28 Cl8 N3 Os P -","- C72 H112 Cl32 N12 Os4 P4 -","4","1","","Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano","Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study","Organometallics","2005","24","9","2114","2123","10.1021/om049022a","","","0.7107","MoKα","","0.046","0.0426","","","0.1106","0.1139","","","","","","1.128","","","","has coordinates","180562","2020-10-21","18:00:00",""
"4060317","13.5918","0.002","10.7345","0.0009","16.442","0.002","90","","113.142","0.014","90","","2205.9","0.5","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H31 Cl3 N3 O0.5 Os P -","- C17.5 H31 Cl3 N3 O0.5 Os P -","- C70 H124 Cl12 N12 O2 Os4 P4 -","4","1","","Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano","Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study","Organometallics","2005","24","9","2114","2123","10.1021/om049022a","","","0.71073","MoKα","","0.0865","0.0774","","","0.1656","0.17","","","","","","1.196","","","","has coordinates,has disorder","180562","2020-10-21","18:00:00",""
"4060318","10.3464","0.0009","18.4596","0.0012","18.1656","0.0014","90","","96.111","0.01","90","","3449.7","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B F4 P Ru2 -","- C36 H48 B F4 P Ru2 -","- C144 H192 B4 F16 P4 Ru8 -","4","1","","Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario","Binding of organometallic ruthenium(II) and osmium(II) complexes to an oligonucleotide: a combined mass spectometric and theoretical study.","Organometallics","2005","","","","","10.1021/om049025n","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060319","22.5729","0.0013","16.3209","0.0008","8.7729","0.0006","90","","90","","90","","3232","0.3","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H56 B F4 P Ru2 -","- C32 H56 B F4 P Ru2 -","- C128 H224 B4 F16 P4 Ru8 -","4","0.5","","Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario","Binding of organometallic ruthenium(II) and osmium(II) complexes to an oligonucleotide: a combined mass spectometric and theoretical study.","Organometallics","2005","","","","","10.1021/om049025n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060320","11.2717","0.0007","17.0632","0.0014","19.4068","0.0012","90","","92.226","0.007","90","","3729.7","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 B F4 P Ru2 -","- C42 H52 B F4 P Ru2 -","- C168 H208 B4 F16 P4 Ru8 -","4","1","","Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario","Binding of organometallic ruthenium(II) and osmium(II) complexes to an oligonucleotide: a combined mass spectometric and theoretical study.","Organometallics","2005","","","","","10.1021/om049025n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060321","6.3286","0.0007","8.776","0.001","10.946","0.001","87.08","0.01","89.52","0.01","68.99","0.01","566.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 Fe O8 -","- C9 H6 Fe O8 -","- C18 H12 Fe2 O16 -","2","1","","Jean-Yves Salaun","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060322","11.5836","0.0009","6.9549","0.0005","12.4252","0.0009","90","","105.26","0.007","90","","965.7","0.2","288","","288","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 Fe O7 -","- C8 H2 Fe O7 -","- C32 H8 Fe4 O28 -","4","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060323","13.882","0.002","14.823","0.002","15.492","0.006","90","","90.92","0.02","90","","3187.4","1.4","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Co N3 -","- C34 H46 Co N3 -","- C136 H184 Co4 N12 -","4","1","","Humphries, Martin J.; Tellmann, Kilian P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","Investigations into the Mechanism of Activation and Initiation of Ethylene Polymerization by Bis(imino)pyridine Cobalt Catalysts: Synthesis, Structures, and Deuterium Labeling Studies","Organometallics","2005","24","9","2039","2050","10.1021/om049032b","","","0.71073","MoKα","","0.0999","0.0543","","","0.1026","0.1142","","","","","","0.978","","","","has coordinates","180564","2020-10-21","18:00:00",""
"4060324","36.945","0.011","8.062","0.003","17.718","0.005","90","","101.91","0.05","90","","5164","3","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 Cl Co N3 -","- C27 H31 Cl Co N3 -","- C216 H248 Cl8 Co8 N24 -","8","1","","Humphries, Martin J.; Tellmann, Kilian P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","Investigations into the Mechanism of Activation and Initiation of Ethylene Polymerization by Bis(imino)pyridine Cobalt Catalysts: Synthesis, Structures, and Deuterium Labeling Studies","Organometallics","2005","24","9","2039","2050","10.1021/om049032b","","","0.71073","MoKα","","0.083","0.0444","","","0.0942","0.1053","","","","","","0.975","","","","has coordinates","180564","2020-10-21","18:00:00",""
"4060325","7.658","0.0003","15.2323","0.0006","16.8331","0.0007","90","","90","","90","","1963.56","0.14","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 Cl2 N P Pt -","- C17 H26 Cl2 N P Pt -","- C68 H104 Cl8 N4 P4 Pt4 -","4","1","","","Synthesis and Reactivity of New [kappa2-P,N]Pt(II) Complexes of Diisopropyphosphino-Substituted 2-Dimethylaminoindene","Organometallics","2005","","","","","10.1021/om049034w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060326","10.388","0.001","21.813","0.002","10.57","0.001","90","","114.546","0.002","90","","2178.6","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 N P Pt S -","- C20 H34 N P Pt S -","- C80 H136 N4 P4 Pt4 S4 -","4","1","","","Synthesis and Reactivity of New [kappa2-P,N]Pt(II) Complexes of Diisopropyphosphino-Substituted 2-Dimethylaminoindene","Organometallics","2005","","","","","10.1021/om049034w","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060327","15.899","0.0006","6.85","0.0002","21.321","0.0009","90","","96.52","0.0012","90","","2307.01","0.15","230","0.2","230","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N2 Ni O2 Si2 -","- C18 H30 N2 Ni O2 Si2 -","- C72 H120 N8 Ni4 O8 Si8 -","4","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060328","10.859","0.0002","13.981","0.0003","20.451","0.0006","90","","101.025","0.0008","90","","3047.56","0.12","230","0.2","230","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 N4 Ni O2 Si2 -","- C24 H46 N4 Ni O2 Si2 -","- C96 H184 N16 Ni4 O8 Si8 -","4","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060329","11.3643","0.0005","12.0823","0.0006","13.7054","0.0007","106.974","0.002","108.096","0.002","91.455","0.002","1696.84","0.14","230","0.2","230","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 N4 Ni2 Si4 -","- C26 H46 N4 Ni2 Si4 -","- C52 H92 N8 Ni4 Si8 -","2","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","133872","2020-10-21","18:00:00",""
"4060330","11.588","0.0002","15.102","0.0003","32.82","0.0008","90","","98.761","0.0008","90","","5676.6","0.2","230","0.2","230","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H78 Br2 Li2 N8 Ni Si4 -","- C38 H78 Br2 Li2 N8 Ni Si4 -","- C152 H312 Br8 Li8 N32 Ni4 Si16 -","4","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060331","8.585","0.0003","14.324","0.0006","10.017","0.0004","90","","113.926","0.003","90","","1125.96","0.08","230","0.2","230","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 N2 Ni0.5 -","- C6 H16 N2 Ni0.5 -","- C48 H128 N16 Ni4 -","8","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060333","17.613","0.0002","12.846","0.0003","20.98","0.0003","90","","90","","90","","4746.86","0.14","230","0.2","230","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H32 N2 Ni O2 Si2 -","- C19 H32 N2 Ni O2 Si2 -","- C152 H256 N16 Ni8 O16 Si16 -","8","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060334","14.919","0.0011","10.908","0.0008","20.112","0.002","90","","103.606","0.003","90","","3181.1","0.5","230","0.2","230","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 N4 Ni O2 Si2 -","- C25 H48 N4 Ni O2 Si2 -","- C100 H192 N16 Ni4 O8 Si8 -","4","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060335","26.707","0.0012","8.883","0.0006","20.412","0.0012","90","","129.923","0.003","90","","3713.8","0.4","230","0.1","230","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 N4 Ni Si4 -","- C28 H50 N4 Ni Si4 -","- C112 H200 N16 Ni4 Si16 -","4","0.5","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060336","9.809","0.002","16.995","0.004","15.197","0.003","90","","99.037","0.01","90","","2502","1","230","0.2","230","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N2 Ni -","- C12 H16 N2 Ni -","- C96 H128 N16 Ni8 -","8","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060337","11.336","0.0002","12.122","0.0002","29.042","0.0005","90","","93.924","0.0008","90","","3981.45","0.12","230","0.2","230","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H55 N5 Ni Si4 -","- C33 H55 N5 Ni Si4 -","- C132 H220 N20 Ni4 Si16 -","4","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060338","8.3609","0.0007","29.333","0.002","10.0818","0.0008","90","","99.222","0.002","90","","2440.6","0.3","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23.5 H30 Br Mn N O3 P -","- C23.5 H30 Br Mn N O3 P -","- C94 H120 Br4 Mn4 N4 O12 P4 -","4","2","","","Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes","Organometallics","2005","","","","","10.1021/om0490435","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060339","15.5249","0.0011","8.0752","0.0006","20.4893","0.0014","90","","103.634","0.0012","90","","2496.3","0.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H30 Br Mn N O3 P -","- C23.5 H30 Br Mn N O3 P -","- C94 H120 Br4 Mn4 N4 O12 P4 -","4","1","","","Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes","Organometallics","2005","","","","","10.1021/om0490435","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060340","8.1918","0.0006","15.2453","0.0011","62.102","0.004","90","","93.426","0.0014","90","","7741.8","1","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H30 B F4 Mn N O3 P -","- C23.5 H30 B F4 Mn N O3 P -","- C282 H360 B12 F48 Mn12 N12 O36 P12 -","12","3","","","Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes","Organometallics","2005","","","","","10.1021/om0490435","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060341","11.946","0.0005","14.3629","0.0006","14.5832","0.0006","90","","96.9755","0.0008","90","","2483.65","0.18","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 F3 Mn N O6 P S -","- C21 H26 F3 Mn N O6 P S -","- C84 H104 F12 Mn4 N4 O24 P4 S4 -","4","1","","","Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes","Organometallics","2005","","","","","10.1021/om0490435","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060342","8.1358","0.0004","19.1164","0.0009","15.9808","0.0007","90","","96.3604","0.0009","90","","2470.2","0.2","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 B F4 Mn N O4 P -","- C21 H26 B F4 Mn N O4 P -","- C84 H104 B4 F16 Mn4 N4 O16 P4 -","4","1","","","Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes","Organometallics","2005","","","","","10.1021/om0490435","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060343","9.0105","0.0005","24.9564","0.0014","9.4436","0.0005","90","","108.435","0.001","90","","2014.6","0.19","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Mn N O3 P -","- C20 H25 Mn N O3 P -","- C80 H100 Mn4 N4 O12 P4 -","4","1","","","Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes","Organometallics","2005","","","","","10.1021/om0490435","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060344","8.4223","0.0006","16.2347","0.0011","16.3562","0.0011","90.7419","0.0011","104.087","0.0011","96.4207","0.0011","2153.7","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H44 Mn3 N O12 P2 -","- C38.5 H44 Mn3 N O12 P2 -","- C77 H88 Mn6 N2 O24 P4 -","2","1","","","Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes","Organometallics","2005","","","","","10.1021/om0490435","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060345","11.5389","0.0007","18.9547","0.0012","12.3557","0.0008","90","","105.522","0.001","90","","2603.8","0.3","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H34 Br Mn N O3 P Si -","- C23 H34 Br Mn N O3 P Si -","- C92 H136 Br4 Mn4 N4 O12 P4 Si4 -","4","1","","","Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes","Organometallics","2005","","","","","10.1021/om0490435","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060346","6.9708","0.0004","7.1061","0.0004","13.3302","0.0007","80.2151","0.0008","81.6179","0.0008","88.1763","0.0008","643.74","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Mn N O3 -","- C14 H12 Mn N O3 -","- C28 H24 Mn2 N2 O6 -","2","1","","","Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes","Organometallics","2005","","","","","10.1021/om0490435","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060347","11.4652","0.0007","9.7079","0.0006","24.6104","0.0016","90","","95.5024","0.0012","90","","2726.6","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 N2 Si2 -","- C28 H40 N2 Si2 -","- C112 H160 N8 Si8 -","4","1","","","Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes","Organometallics","2005","","","","","10.1021/om0490435","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060348","13.127","0.0002","12.648","0.0002","13.745","0.0003","90","","90","","90","","2282.09","0.07","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Ir-Cl","","","- C9.5 H13.5 Cl0.5 F3 Ir0.5 N2 P0.5 -","- C9.5 H14 Cl0.5 F3 Ir0.5 N2 P0.5 -","- C76 H112 Cl4 F24 Ir4 N16 P4 -","8","1","","Vogl, Matthias; Pons, Vincent; Heinekey, D. Michael","Synthesis and Characterization of a Dicationic Dihydrogen Complex of Iridium with a Bis-carbene Ligand Set","Organometallics","2005","24","8","1832","1836","10.1021/om049045p","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060349","13.951","0.0008","12.273","0.0008","13.842","0.001","90","","90","","90","","2370","0.3","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Ir-I","","","- C19 H27 F6 I Ir N4 P -","- C19 H27 F6 I Ir N4 P -","- C76 H108 F24 I4 Ir4 N16 P4 -","4","0.5","","Vogl, Matthias; Pons, Vincent; Heinekey, D. Michael","Synthesis and Characterization of a Dicationic Dihydrogen Complex of Iridium with a Bis-carbene Ligand Set","Organometallics","2005","24","8","1832","1836","10.1021/om049045p","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060350","14.2005","0.0003","20.7594","0.0005","16.4489","0.0006","90","","90","","90","","4849","0.4","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H33 Cl Co F6 N2 P -","- C21 H32 Cl Co F6 N2 P -","- C168 H256 Cl8 Co8 F48 N16 P8 -","8","1","","Mike Robitzer; Imenne Bouamaied; Claude Sirlin; Preston A. Chase; Gerard van Koten; Michel Pfeffer","Transmetalation of Aryl Units from Gold(I) to Cobalt(III), A Clean Route to the Synthesis of Anion Cobaltoreceptors","Organometallics","2005","","","","","10.1021/om0490482","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060351","11.8085","0.0013","15.1804","0.0017","13.4054","0.0016","90","","104.605","0.004","90","","2325.4","0.5","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ru(Cp*)Cl(CH3CN)(eta3-Ph-CHCHCH2)](PF6)","","","- C21 H27 Cl F6 N P Ru -","- C21 H27 Cl F6 N P Ru -","- C84 H108 Cl4 F24 N4 P4 Ru4 -","4","1","","R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda","X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.","Organometallics","2005","","","","","10.1021/om049057a","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060352","12.2209","0.0011","12.4617","0.0011","15.4714","0.0015","83.219","0.003","67.76","0.002","79.903","0.003","2143.7","0.3","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H67 N O1.5 P2 Ti -","- C41.175 H67.58 N O0.558 P2 Ti -","- C82.35 H135.16 N2 O1.116 P4 Ti2 -","2","1","","R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda","X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.","Organometallics","2005","","","","","10.1021/om0490583","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060353","9.823","0.002","20.914","0.006","18.009","0.005","90","","103.524","0.006","90","","3597.4","1.6","","","122","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 F3 N O3 P2 S Ti -","- C32 H50 F3 N O3 P2 S Ti -","- C128 H200 F12 N4 O12 P8 S4 Ti4 -","4","1","","R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda","X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.","Organometallics","2005","","","","","10.1021/om0490583","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060354","10.4954","0.001","14.5554","0.0014","19.3081","0.0018","107.202","0.002","103.737","0.002","95.098","0.002","2696.5","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H92 N P3 Ti -","- C54 H77 N P3 Ti -","- C108 H154 N2 P6 Ti2 -","2","1","","R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda","X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.","Organometallics","2005","","","","","10.1021/om0490583","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060355","11.807","0.007","16.571","0.012","21.743","0.015","90","","90","","90","","4254","5","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H66 N2 P2 Ti -","- C43 H68 N2 P2 Ti -","- C172 H272 N8 P8 Ti4 -","4","1","","R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda","X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.","Organometallics","2005","","","","","10.1021/om0490583","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060356","14.1566","0.0017","7.6311","0.0009","11.8956","0.0014","90","","103.094","0.002","90","","1251.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Fe -","- C16 H14 Fe -","- C64 H56 Fe4 -","4","1","","R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda","X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.","Organometallics","2005","","","","","10.1021/om0490637","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060357","13.467","0.003","14.134","0.003","16.93","0.003","90","","112.05","0.003","90","","2986.5","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 Cl Fe O P3 Ru -","- C26 H27 Cl Fe O P3 Ru -","- C104 H108 Cl4 Fe4 O4 P12 Ru4 -","4","1","","R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda","X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.","Organometallics","2005","","","","","10.1021/om0490637","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060358","48.05","0.01","6.381","0.001","14.63","0.003","90","","92.22","0.01","90","","4482.3","1.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Canada-12","","","- C25 H33 N O3 -","- C25 H33 N O3 -","- C200 H264 N8 O24 -","8","2","","Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem","Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction","Organic Letters","2005","7","7","1315","1318","10.1021/ol050104k","","","","","","","","","","","","","","","","","","","","","has coordinates","219238","2020-10-21","18:00:00",""
"4060359","13.807","0.003","6.34","0.001","26.961","0.005","90","","90","","90","","2360.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Canada-11 XW-168","","","- C26 H35 N O3 -","- C26 H35 N O3 -","- C104 H140 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem","Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction","Organic Letters","2005","7","7","1315","1318","10.1021/ol050104k","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060360","6.279","0.001","8.183","0.002","16.506","0.003","76.9","0.02","81.73","0.02","68.4","0.02","766.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","XW-174-2","","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","","Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem","Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction","Organic Letters","2005","7","7","1315","1318","10.1021/ol050104k","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060361","14.05","0.003","6.38","0.001","14.914","0.003","90","","111.01","0.02","90","","1248","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H37 N O3 -","- C27 H37 N O3 -","- C54 H74 N2 O6 -","2","1","","Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem","Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction","Organic Letters","2005","7","7","1315","1318","10.1021/ol050104k","","","","","","","","","","","","","","","","","","","","","has coordinates","219238","2020-10-21","18:00:00",""
"4060362","18.543","0.008","14.98","0.005","23.226","0.008","90","","106.215","0.017","90","","6195","4","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H60 Ag3 Cl N6 O6 P4 -","- C62 H60 Ag3 Cl N6 O6 P4 -","- C248 H240 Ag12 Cl4 N24 O24 P16 -","4","1","","Lee, Hon Man","","Organometallics","2005","","","","","10.1021/om049070v","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060363","15.023","0.007","15.734","0.008","17.46","0.008","65.55","0.03","66.36","0.02","87.31","0.03","3406","3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C133 H141 Ag6 Cl2 N15 O15 P8 -","- C133 H141 Ag6 Cl2 N15 O15 P8 -","- C133 H141 Ag6 Cl2 N15 O15 P8 -","1","0.5","","Lee, Hon Man","","Organometallics","2005","","","","","10.1021/om049070v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060364","14.096","0.003","18.891","0.004","25.927","0.006","90","","92.846","0.004","90","","6896","3","571","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H60 Cl4 N4 P4 Ru2 -","- C62 H60 Cl3.998 N4 P4 Ru2 -","- C248 H240 Cl15.992 N16 P16 Ru8 -","4","1","","Lee, Hon Man","","Organometallics","2005","","","","","10.1021/om049070v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060365","13.332","0.007","12.287","0.006","20.891","0.01","90","","95.535","0.008","90","","3406","3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 Cl2 N3 O2 P2 Ru -","- C35 H37 Cl2 N3 O2 P2 Ru -","- C140 H148 Cl8 N12 O8 P8 Ru4 -","4","1","","Lee, Hon Man","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060367","18.8238","0.0007","20.9699","0.0008","29.563","0.001","90","","126.477","0.002","90","","9383.4","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C352 H368 Cl16 N40 O12 P16 Ru8 -","- C352 H368 Cl16 N40 O12 P16 Ru8 -","- C352 H368 Cl16 N40 O12 P16 Ru8 -","1","0.25","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049070v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060368","13.344","0.005","12.294","0.005","20.999","0.009","90","","95.836","0.019","90","","3427","2","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 Cl3 N3 O P2 Ru -","- C34 H37 Cl3 N3 O P2 Ru -","- C136 H148 Cl12 N12 O4 P8 Ru4 -","4","1","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049070v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060369","9.1853","0.0007","17.5867","0.001","20.2249","0.0019","90","","91.04","0.011","90","","3266.6","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Complex 1a","","","- C36 H28 O6 P2 Pd S2 -","- C36 H28 O6 P2 Pd S2 -","- C144 H112 O24 P8 Pd4 S8 -","4","0.5","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om0490785","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060370","9.0884","0.0011","10.201","0.0012","19.395","0.003","87.987","0.015","86.427","0.015","70.395","0.014","1690.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Complex 2B","","","- C33 H37 Cl2 O6 P Pd S -","- C33 H37 Cl2 O6 P Pd S -","- C66 H74 Cl4 O12 P2 Pd2 S2 -","2","1","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om0490785","","","","","","0.1213","0.0826","","","0.2229","0.2445","","","","","","","","","","has coordinates,has disorder","134499","2020-10-21","18:00:00",""
"4060371","12.3223","0.0008","12.7391","0.0009","14.4202","0.001","90","","112.007","0.002","90","","2098.7","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 I2 O Ru2 S6 -","- C30 H60 I2 O Ru2 S6 -","- C60 H120 I4 O2 Ru4 S12 -","2","0.5","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049081o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060372","9.7797","0.0012","12.2045","0.0015","12.4609","0.0015","69.816","0.002","69.704","0.002","66.951","0.002","1245.3","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H62 F12 N2 P2 Ru2 S6 -","- C36 H62 F12 N2 P2 Ru2 S6 -","- C36 H62 F12 N2 P2 Ru2 S6 -","1","0.5","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049081o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060373","12.4228","0.0002","9.081","0.0002","19.9557","0.0004","90","","100.646","0.001","90","","2212.48","0.07","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 F6 P Ru S3 -","- C16 H29 F6 P Ru S3 -","- C64 H116 F24 P4 Ru4 S12 -","4","1","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049081o","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060374","28.5808","0.0008","8.5395","0.0002","9.5463","0.0003","90","","90","","90","","2329.92","0.11","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H29 I N2 Ru S3 -","- C19 H29 I N2 Ru S3 -","- C76 H116 I4 N8 Ru4 S12 -","4","0.5","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049081o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060375","12.0847","0.0008","13.136","0.0009","14.0009","0.001","90","","103.237","0.002","90","","2163.5","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 I6 Ru2 S6 -","- C28 H46 I6 Ru2 S6 -","- C56 H92 I12 Ru4 S12 -","2","0.5","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049081o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060376","11.7001","0.0011","21.831","0.002","14.0132","0.0014","90","","106.323","0.002","90","","3435","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H49 I Ru2 S6 -","- C29 H49 I Ru2 S6 -","- C116 H196 I4 Ru8 S24 -","4","1","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049081o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060377","8.94","0.002","14.049","0.003","8.0857","0.0018","90","","122.452","0.004","90","","857","0.3","223","2","223","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C15 H26 Ru S3 -","- C15 H26 Ru S3 -","- C30 H52 Ru2 S6 -","2","0.5","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049081o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060378","11.143","0.004","25.756","0.008","12.561","0.004","90","","100.16","0.008","90","","3548","2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H53 F6 P Ru S3 Sn -","- C27 H53 F6 P Ru S3 Sn -","- C108 H212 F24 P4 Ru4 S12 Sn4 -","4","1","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049081o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4060379","11.4543","0.0003","24.8203","0.0006","14.0568","0.0002","90","","109.053","0.001","90","","3777.4","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C85 H72 Cl6 Fe2 P4 Ru2 -","- C85 H72 Cl6 Fe2 P4 Ru2 -","- C170 H144 Cl12 Fe4 P8 Ru4 -","2","1","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049086l","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060380","14.0106","0.0003","12.4532","0.0003","24.152","","90","","94.764","0.001","90","","4199.42","0.14","293","2","293","2","","","","","","","","11","P 1 21 1","P 2yb","4","","","","- C43.5 H37 Cl1.5 Cu F3 Fe N O2 P2 Ru Sb0.5 -","- C43.5 H37 Cl1.5 Cu F3 Fe N O2 P2 Ru Sb0.5 -","- C174 H148 Cl6 Cu4 F12 Fe4 N4 O8 P8 Ru4 Sb2 -","4","2","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049086l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060381","9.122","0.005","9.217","0.005","14.069","0.008","102.467","0.012","95.424","0.013","103.508","0.012","1109.8","1.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Mo O5 P -","- C23 H17 Mo O5 P -","- C46 H34 Mo2 O10 P2 -","2","1","","Compain, Carine; Donnadieu, Bruno; Mathey, François","2,3-Benzo-7-phosphanorbornadiene Complexes: Synthesis and Chemistry","Organometallics","2005","24","7","1762","1765","10.1021/om049089y","","","","","","","","","","","","","","","","","","","","","has coordinates","133832","2020-10-21","18:00:00",""
"4060382","11.5733","0.0012","6.8944","0.0007","15.7794","0.0016","90","","95.682","0.005","90","","1252.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 P S2 -","- C12 H15 P S2 -","- C48 H60 P4 S8 -","4","1","","Compain, Carine; Donnadieu, Bruno; Mathey, François","2,3-Benzo-7-phosphanorbornadiene Complexes: Synthesis and Chemistry","Organometallics","2005","24","7","1762","1765","10.1021/om049089y","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060385","6.6111","0.0016","8.633","0.0019","15.917","0.004","83.18","0.02","78.31","0.03","89.39","0.02","883.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 B F15 O -","- C18 B F15 O -","- C36 B2 F30 O2 -","2","1","","Britovsek, George J. P.; Ugolotti, Juri; White, Andrew J. P.","From B(C6F5)3 to B(OC6F5)3: Synthesis of (C6F5)2BOC6F5 and C6F5B(OC6F5)2 and Their Relative Lewis Acidity","Organometallics","2005","24","7","1685","1691","10.1021/om049091p","","","","","","","","","","","","","","","","","","","","","has coordinates","219024","2020-10-21","18:00:00",""
"4060386","6.0687","0.0013","10.5527","0.0019","14.722","0.003","83.699","0.015","84.364","0.018","79.853","0.011","919.5","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 B F15 O2 -","- C18 B F15 O2 -","- C36 B2 F30 O4 -","2","1","","Britovsek, George J. P.; Ugolotti, Juri; White, Andrew J. P.","From B(C6F5)3 to B(OC6F5)3: Synthesis of (C6F5)2BOC6F5 and C6F5B(OC6F5)2 and Their Relative Lewis Acidity","Organometallics","2005","24","7","1685","1691","10.1021/om049091p","","","","","","","","","","","","","","","","","","","","","has coordinates","219024","2020-10-21","18:00:00",""
"4060387","16.611","0.005","5.618","0.006","20.09","0.007","90","","93.62","0.019","90","","1871","2","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 B F15 O3 -","- C18 B F15 O3 -","- C72 B4 F60 O12 -","4","1","","Britovsek, George J. P.; Ugolotti, Juri; White, Andrew J. P.","From B(C6F5)3 to B(OC6F5)3: Synthesis of (C6F5)2BOC6F5 and C6F5B(OC6F5)2 and Their Relative Lewis Acidity","Organometallics","2005","24","7","1685","1691","10.1021/om049091p","","","","","","","","","","","","","","","","","","","","","has coordinates","219024","2020-10-21","18:00:00",""
"4060391","10.006","0.002","12.497","0.003","13.971","0.003","64.5","0.004","87.263","0.004","84.66","0.004","1569.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H10 B Cl F20 Zr -","- C34 H10 B Cl F20 Zr -","- C68 H20 B2 Cl2 F40 Zr2 -","2","1","","Wu, Fan; Jordan, Richard F.","Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane","Organometallics","2005","24","11","2688","2697","10.1021/om049099z","","","","","","","","","","","","","","","","","","","","","has coordinates","219025","2020-10-21","18:00:00",""
"4060392","11.684","0.002","13.503","0.003","13.712","0.003","85.334","0.004","68.088","0.004","75.768","0.004","1945.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H38 B2 Cl4 F40 Zr2 -","- C84 H38 B2 Cl4 F40 Zr2 -","- C84 H38 B2 Cl4 F40 Zr2 -","1","0.5","","Wu, Fan; Jordan, Richard F.","Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane","Organometallics","2005","24","11","2688","2697","10.1021/om049099z","","","","","","","","","","","","","","","","","","","","","has coordinates","219025","2020-10-21","18:00:00",""
"4060393","27.854","0.006","18.962","0.004","17.008","0.003","90","","91.45","0.03","90","","8980","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H24 B F20 N Zr -","- C55 H24 B F20 N Zr -","- C440 H192 B8 F160 N8 Zr8 -","8","2","","Wu, Fan; Jordan, Richard F.","Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane","Organometallics","2005","24","11","2688","2697","10.1021/om049099z","","","","","","","","","","","","","","","","","","","","","has coordinates","219025","2020-10-21","18:00:00",""
"4060394","39.741","0.003","10.3844","0.001","28.915","0.002","90","","128.431","0.004","90","","9347.8","1.4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H58 B10 N P2 Rh -","- C49.5 H58 B10 N P2 Rh -","- C396 H464 B80 N8 P16 Rh8 -","8","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles","Organometallics","2005","","","","","10.1021/om049102e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060395","8.786","0.001","14.2795","0.0016","24.498","0.002","90","","93.882","0.004","90","","3066.5","0.6","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 B10 Cu P Rh -","- C28 H39 B10 Cu P Rh -","- C112 H156 B40 Cu4 P4 Rh4 -","4","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles","Organometallics","2005","","","","","10.1021/om049102e","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060396","20.9484","0.0011","19.8989","0.001","21.2596","0.0011","90","","90","","90","","8862.1","0.8","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H54 B10 P2 Rh2 -","- C46 H54 B10 P2 Rh2 -","- C368 H432 B80 P16 Rh16 -","8","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles","Organometallics","2005","","","","","10.1021/om049102e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060397","7.0539","0.0017","29.096","0.007","11.478","0.003","90","","105.456","0.009","90","","2270.6","1","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 B10 Rh2 -","- C18 H36 B10 Rh2 -","- C72 H144 B40 Rh8 -","4","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles","Organometallics","2005","","","","","10.1021/om049102e","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060398","10.485","0.002","13.808","0.003","21.618","0.005","98.632","0.011","102.624","0.011","109.847","0.01","2785.6","1.1","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H74 B10 Cl O2.5 P2 Rh Ru -","- C56 H74 B10 Cl O2.5 P2 Rh Ru -","- C112 H148 B20 Cl2 O5 P4 Rh2 Ru2 -","2","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles","Organometallics","2005","","","","","10.1021/om049102e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060399","11.5693","0.0007","9.3582","0.0006","15.3295","0.001","90","","105.326","0.003","90","","1600.67","0.18","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H25 B10 Rh -","- C10 H25 B10 Rh -","- C40 H100 B40 Rh4 -","4","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles","Organometallics","2005","","","","","10.1021/om049102e","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060400","13.443","0.003","7.9226","0.0018","18.78","0.004","90","","105.767","0.008","90","","1925","0.7","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H31 B10 O Rh -","- C14 H31 B10 O Rh -","- C56 H124 B40 O4 Rh4 -","4","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles","Organometallics","2005","","","","","10.1021/om049102e","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060401","10.504","0.001","10.981","0.001","16.801","0.002","98.244","0.002","104.656","0.002","93.355","0.001","1846.4","0.3","118.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 N O Zr -","- C48 H51 N O Zr -","- C96 H102 N2 O2 Zr2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om049105r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060402","7.981","0.0007","17.469","0.002","14.626","0.001","90","","104.344","0.001","90","","1975.6","0.3","123.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O Zr -","- C21 H29 N O Zr -","- C84 H116 N4 O4 Zr4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049105r","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060403","12.459","0.004","12.6","0.004","13.982","0.005","81.834","0.007","65.711","0.006","86.004","0.007","1980.2","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O Zr -","- C24 H27 N O Zr -","- C96 H108 N4 O4 Zr4 -","4","2","","","","Organometallics","2005","","","","","10.1021/om049105r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060404","9.88","0.001","24.145","0.003","8.214","0.001","90","","108.288","0.002","90","","1860.6","0.4","143.2","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H29 N O Zr -","- C21 H29 N O Zr -","- C84 H116 N4 O4 Zr4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049105r","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060405","14.642","0.001","12.797","0.001","15.89","0.001","90","","101.345","0.001","90","","2919.3","0.4","153.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 N2 O2 S Zr -","- C31.5 H34 N2 O2 S Zr -","- C126 H136 N8 O8 S4 Zr4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049105r","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060406","8.599","0.013","40.63","0.04","8.717","0.014","90","","108.85","0.04","90","","2882","7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 N O Zr -","- C36 H41 N O Zr -","- C144 H164 N4 O4 Zr4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049105r","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060407","8.757","0.005","25.021","0.003","16.603","0.005","90","","97.49","0.04","90","","3607","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 F10 N2 O2 Sn -","- C36 H32 F10 N2 O2 Sn -","- C144 H128 F40 N8 O8 Sn4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0491084","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060408","13.265","0.006","9.651","0.004","26.01","0.01","90","","94.183","0.004","90","","3321","2","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N2 O2 Sn -","- C36 H42 N2 O2 Sn -","- C144 H168 N8 O8 Sn4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0491084","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060409","16.551","0.006","18.233","0.005","12.59","0.003","90","","90","","90","","3799","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 N2 O2 Sn -","- C42 H54 N2 O2 Sn -","- C168 H216 N8 O8 Sn4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0491084","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060411","8.1445","0.0004","20.63","0.0011","15.633","0.0008","90","","104.5","0.001","90","","2543","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Br N8 O3 Re -","- C23 H18 Br N8 O3 Re -","- C92 H72 Br4 N32 O12 Re4 -","4","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060412","15.5427","0.0007","15.38","0.0007","18.815","0.0009","90","","112.078","0.001","90","","4167.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Br N8 O4 Pt Re -","- C40.96 H41.9 Br N8 O3.99 Pt Re -","- C163.84 H167.6 Br4 N32 O15.96 Pt4 Re4 -","4","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178493","2020-10-21","18:00:00",""
"4060413","11.3267","0.0018","13.334","0.002","14.442","0.002","108.914","0.003","93.987","0.003","108.683","0.003","1917.8","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Br2 N9 O6 Re2 -","- C27.98 H20.97 Br2 N8.99 O6 Re2 -","- C55.96 H41.94 Br4 N17.98 O12 Re4 -","2","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060414","18.5053","0.0011","14.6677","0.0009","15.6163","0.001","90","","92.034","0.002","90","","4236.1","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H36 Br2 N8 O9 Re2 -","- C35 H36 Br2 N8 O9 Re2 -","- C140 H144 Br8 N32 O36 Re8 -","4","0.5","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060415","11.9047","0.0006","12.4073","0.0007","13.0787","0.0007","92.388","0.001","90.282","0.001","112.098","0.001","1787.89","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H76 Br2 N8 O11 Re2 S4 -","- C66 H76 Br2 N8 O11 Re2 S4 -","- C66 H76 Br2 N8 O11 Re2 S4 -","1","0.5","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060416","7.7574","0.0005","11.1751","0.0008","11.6014","0.0008","67.701","0.001","87.755","0.001","75.027","0.001","896.97","0.11","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 N8 -","- C20 H18 N8 -","- C40 H36 N16 -","2","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060417","9.4016","0.0017","9.5304","0.0016","22.771","0.004","93.146","0.004","92.938","0.004","98.53","0.004","2011.1","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H52 N2 P2 Si2 Y -","- C41.5 H47 N2 P2 Si2 Y -","- C83 H94 N4 P4 Si4 Y2 -","2","1","","Panda, Tarun K.; Zulys, Agustino; Gamer, Michael T.; Roesky, Peter W.","Cyclooctatetraene Complexes of Yttrium and the Lanthanides with Bis(phosphinimino)methanides: Synthesis, Structure, and Hydroamination/Cyclization Catalysis","Organometallics","2005","24","9","2197","2202","10.1021/om0491138","","","0.71073","MoKα","","0.0465","0.0341","","","0.0875","0.0949","","","","","","1.064","","","","has coordinates","180535","2020-10-21","18:00:00",""
"4060418","12.305","0.0008","19.623","0.0013","15.65","0.001","90","","99.364","0.008","90","","3728.5","0.4","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 N2 P2 Si2 Sm -","- C39 H47 N2 P2 Si2 Sm -","- C156 H188 N8 P8 Si8 Sm4 -","4","1","","Panda, Tarun K.; Zulys, Agustino; Gamer, Michael T.; Roesky, Peter W.","Cyclooctatetraene Complexes of Yttrium and the Lanthanides with Bis(phosphinimino)methanides: Synthesis, Structure, and Hydroamination/Cyclization Catalysis","Organometallics","2005","24","9","2197","2202","10.1021/om0491138","","","0.56087","AgKα","","0.0721","0.0585","","","0.1619","0.1742","","","","","","1.12","","","","has coordinates","180535","2020-10-21","18:00:00",""
"4060419","9.3791","0.0017","9.4895","0.0017","22.693","0.004","93.345","0.004","92.875","0.004","98.921","0.004","1988.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H52 Er N2 P2 Si2 -","- C41.5 H47 Er N2 P2 Si2 -","- C83 H94 Er2 N4 P4 Si4 -","2","1","","Panda, Tarun K.; Zulys, Agustino; Gamer, Michael T.; Roesky, Peter W.","Cyclooctatetraene Complexes of Yttrium and the Lanthanides with Bis(phosphinimino)methanides: Synthesis, Structure, and Hydroamination/Cyclization Catalysis","Organometallics","2005","24","9","2197","2202","10.1021/om0491138","","","0.71073","MoKα","","0.033","0.0262","","","0.0607","0.0653","","","","","","1.065","","","","has coordinates","180535","2020-10-21","18:00:00",""
"4060420","9.377","0.002","9.508","0.002","22.703","0.005","93.493","0.004","92.759","0.004","99.268","0.004","1990.6","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H52 N2 P2 Si2 Yb -","- C41.5 H47 N2 P2 Si2 Yb -","- C83 H94 N4 P4 Si4 Yb2 -","2","1","","Panda, Tarun K.; Zulys, Agustino; Gamer, Michael T.; Roesky, Peter W.","Cyclooctatetraene Complexes of Yttrium and the Lanthanides with Bis(phosphinimino)methanides: Synthesis, Structure, and Hydroamination/Cyclization Catalysis","Organometallics","2005","24","9","2197","2202","10.1021/om0491138","","","0.71073","MoKα","","0.0326","0.0265","","","0.0621","0.067","","","","","","1.068","","","","has coordinates","180535","2020-10-21","18:00:00",""
"4060421","9.351","0.002","9.5","0.002","22.7","0.005","93.619","0.005","92.852","0.005","99.437","0.005","1981.7","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H52 Lu N2 P2 Si2 -","- C41.5 H47 Lu N2 P2 Si2 -","- C83 H94 Lu2 N4 P4 Si4 -","2","1","","Panda, Tarun K.; Zulys, Agustino; Gamer, Michael T.; Roesky, Peter W.","Cyclooctatetraene Complexes of Yttrium and the Lanthanides with Bis(phosphinimino)methanides: Synthesis, Structure, and Hydroamination/Cyclization Catalysis","Organometallics","2005","24","9","2197","2202","10.1021/om0491138","","","0.71073","MoKα","","0.0275","0.0237","","","0.0565","0.0605","","","","","","1.082","","","","has coordinates","180535","2020-10-21","18:00:00",""
"4060422","16.5613","0.0005","17.8073","0.0004","18.7853","0.0005","90","","107.822","0.002","90","","5274.2","0.2","173.2","","173.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59.5 H60 F6 N2 O1.5 P3 Rh -","- C59.25 H54 F6 N2 O1.5 P3 Rh -","- C237 H216 F24 N8 O6 P12 Rh4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049121o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060423","10.06","0.001","19.129","0.002","27.912","0.003","90","","91.6","0.005","90","","5369.2","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 F6 N O3 P3 Rh -","- C58 H59 F6 N O3 P3 Rh -","- C232 H236 F24 N4 O12 P12 Rh4 -","4","1","","Paolo Marcazzan; Brian O. Patrick; Brian R. James","Rhodium(III)-Cyclometalated-Imine Complexes: Solution Behavior and Reactivity with Molecular Hydrogen","Organometallics","2005","24","","1445","1451","10.1021/om049121o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178493","2020-10-21","18:00:00",""
"4060424","17.671","0.004","10.496","0.002","17.695","0.004","90","","108.54","0.03","90","","3111.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 Al N2 -","- C33 H45 Al N2 -","- C132 H180 Al4 N8 -","4","1","","Liu, XiaoMing; Gao, Wei; Mu, Ying; Li, Guanghua; Ye, Ling; Xia, Hong; Ren, Yi; Feng, Shouhua","Dialkylaluminum Complexes with Chelating Anilido-Imine Ligands: Synthesis, Structures and Luminescent Properties","Organometallics","2005","","","","","10.1021/om049143a","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060425","9.826","0.003","10","0.003","14.755","0.005","106.875","0.004","103.857","0.004","100.18","0.005","1298.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H35 Al N2 -","- C28 H35 Al N2 -","- C56 H70 Al2 N4 -","2","1","","Liu, XiaoMing; Gao, Wei; Mu, Ying; Li, Guanghua; Ye, Ling; Xia, Hong; Ren, Yi; Feng, Shouhua","Dialkylaluminum Complexes with Chelating Anilido-Imine Ligands: Synthesis, Structures and Luminescent Properties","Organometallics","2005","","","","","10.1021/om049143a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060426","11.96","0.002","8.9673","0.0018","19.415","0.004","90","","96.72","0.03","90","","2068","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Al N2 -","- C23 H25 Al N2 -","- C92 H100 Al4 N8 -","4","1","","Liu, XiaoMing; Gao, Wei; Mu, Ying; Li, Guanghua; Ye, Ling; Xia, Hong; Ren, Yi; Feng, Shouhua","Dialkylaluminum Complexes with Chelating Anilido-Imine Ligands: Synthesis, Structures and Luminescent Properties","Organometallics","2005","","","","","10.1021/om049143a","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060427","12.323","0.003","10.322","0.002","21.059","0.004","90","","99.59","0.03","90","","2641.2","0.9","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Co Si4 -","- C18 H42 Co Si4 -","- C72 H168 Co4 Si16 -","4","1","","Schormann, Mark; Garratt, Shaun; Bochmann, Manfred","The Reactivity of Silyl-Substituted Allyl Ligands with Group 4, 5, 9 and 10 Metals: Routes to η^3^-Allyls, Alkylidenes and sec-Alkyl Carbocations","Organometallics","2005","24","7","1718","1724","10.1021/om0491692","","","","","","","0.0332","","","0.093","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060428","16.578","0.003","12.43","0.003","12.698","0.003","90","","90.84","0.03","90","","2616.3","0.9","140","1","140","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Ni Si4 -","- C18 H42 Ni Si4 -","- C72 H168 Ni4 Si16 -","4","0.5","","Schormann, Mark; Garratt, Shaun; Bochmann, Manfred","The Reactivity of Silyl-Substituted Allyl Ligands with Group 4, 5, 9 and 10 Metals: Routes to η^3^-Allyls, Alkylidenes and sec-Alkyl Carbocations","Organometallics","2005","24","7","1718","1724","10.1021/om0491692","","","","","","","0.0463","","","0.1285","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060429","18.928","0.004","9.059","0.002","14.41","0.003","90","","100.39","0.03","90","","2430.4","0.8","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H36 Cl3 N2 Si2 Ta -","- C15 H36 Cl3 N2 Si2 Ta -","- C60 H144 Cl12 N8 Si8 Ta4 -","4","1","","Schormann, Mark; Garratt, Shaun; Bochmann, Manfred","The Reactivity of Silyl-Substituted Allyl Ligands with Group 4, 5, 9 and 10 Metals: Routes to η^3^-Allyls, Alkylidenes and sec-Alkyl Carbocations","Organometallics","2005","24","7","1718","1724","10.1021/om0491692","","","","","","","0.0346","","","0.1012","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060430","14.899","0.001","12.31","0.001","19.894","0.001","90","","90","","90","","3648.7","0.4","140","1","140","1","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C15 H39 Cl9 Si2 Sn2 Zr2 -","- C15 H39 Cl9 Si2 Sn2 Zr2 -","- C60 H156 Cl36 Si8 Sn8 Zr8 -","4","0.25","","Schormann, Mark; Garratt, Shaun; Bochmann, Manfred","The Reactivity of Silyl-Substituted Allyl Ligands with Group 4, 5, 9 and 10 Metals: Routes to η^3^-Allyls, Alkylidenes and sec-Alkyl Carbocations","Organometallics","2005","24","7","1718","1724","10.1021/om0491692","","","","","","","0.0434","","","0.1094","","","","","","","","","","","has coordinates","133678","2020-10-21","18:00:00",""
"4060431","14.86","0.001","12.28","0.001","19.901","0.002","90","","90","","90","","3631.6","0.5","140","1","140","1","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C15 H39 Cl9 Hf2 Si2 Sn2 -","- C15 H39 Cl9 Hf2 Si2 Sn2 -","- C60 H156 Cl36 Hf8 Si8 Sn8 -","4","0.25","","Schormann, Mark; Garratt, Shaun; Bochmann, Manfred","The Reactivity of Silyl-Substituted Allyl Ligands with Group 4, 5, 9 and 10 Metals: Routes to η^3^-Allyls, Alkylidenes and sec-Alkyl Carbocations","Organometallics","2005","24","7","1718","1724","10.1021/om0491692","","","","","","","0.0579","","","0.142","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060432","11.6223","0.0001","14.8735","0.0001","20.0255","0.0001","90","","96.926","0.0002","90","","3436.43","0.04","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Cl4 N2 P2 Ru -","- C35 H38 Cl4 N2 P2 Ru -","- C140 H152 Cl16 N8 P8 Ru4 -","4","1","","Baratta, Walter; Herdtweck, Eberhardt; Siega, Katia; Toniutti, Micaela; Rigo, Pierluigi","2-(Aminomethyl)pyridine‒Phosphine Ruthenium(II) Complexes: Novel Highly Active Transfer Hydrogenation Catalysts","Organometallics","2005","24","7","1660","1669","10.1021/om0491701","","","","","","","","","","","","","","","","","","","","","has coordinates","219014","2020-10-21","18:00:00",""
"4060433","23.2361","0.0002","14.6588","0.0001","14.6304","0.0001","90","","105.793","0.0003","90","","4795.2","0.06","173","1","173","1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H54 Cl8 Fe N2 P2 Ru -","- C44 H54 Cl8 Fe N2 P2 Ru -","- C176 H216 Cl32 Fe4 N8 P8 Ru4 -","4","1","","Baratta, Walter; Herdtweck, Eberhardt; Siega, Katia; Toniutti, Micaela; Rigo, Pierluigi","2-(Aminomethyl)pyridine‒Phosphine Ruthenium(II) Complexes: Novel Highly Active Transfer Hydrogenation Catalysts","Organometallics","2005","24","7","1660","1669","10.1021/om0491701","","","","","","","","","","","","","","","","","","","","","has coordinates","219014","2020-10-21","18:00:00",""
"4060434","13.2888","0.0001","24.3673","0.0002","25.4806","0.0002","90","","99.063","0.001","90","","8147.92","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H69 B F24 P2 Ru -","- C94 H69 B F24 P2 Ru -","- C376 H276 B4 F96 P8 Ru4 -","4","1","","J. Díez; M. P. Gamasa; J. Gimeno; E. Lastra; A. Villar","Intramolecular [2+2] Cycloaddition of Allyl C=C and Allenylidene Cα=Cβ Bond: Formation and Deprotonation of Cyclobutylidene Rings","Organometallics","2005","","","","","10.1021/om049172l","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060435","11.4352","0.0003","13.0419","0.0004","17.6182","0.0005","68.805","0.001","89.942","0.001","71.149","0.001","2298.33","0.11","296","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 O P2 Ru -","- C56 H54 O P2 Ru -","- C112 H108 O2 P4 Ru2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om049172l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060436","14.165","0.008","16.231","0.009","17.57","0.01","90","","90","","90","","4040","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","disiloxane-bis(1-indenyl)-ansa-ferrocene","","","- C22 H24 Fe O Si2 -","- C22 H24 Fe O Si2 -","- C176 H192 Fe8 O8 Si16 -","8","1","","Brook, Michael A.; Amako, Masaaki; Schinkel, Jonathan; McGlinchey, Michael J.; Britten, James F.","","Organometallics","2005","","","","","10.1021/om0491847","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060437","11.417","0.003","16.838","0.004","10.436","0.003","88.025","0.003","89.479","0.003","86.487","0.005","2001.2","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","disiloxane-bis(1-indenyl)-ansa-ferrocene","","","- C22 H24 Fe O Si2 -","- C22 H24 Fe O Si2 -","- C88 H96 Fe4 O4 Si8 -","4","2","","Brook, Michael A.; Amako, Masaaki; Schinkel, Jonathan; McGlinchey, Michael J.; Britten, James F.","","Organometallics","2005","","","","","10.1021/om0491847","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060438","16.891","0.002","13.116","0.001","28.127","0.003","90","","106.87","0.01","90","","5963.2","1.1","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H57 Ir O3 P4 S2 -","- C64 H57 Ir O3 P4 S2 -","- C256 H228 Ir4 O12 P16 S8 -","4","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om049198c","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060439","8.274","0.002","11.254","0.003","18.689","0.005","90","","99.764","0.014","90","","1715","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cl N P -","- C18 H23 Cl N P -","- C72 H92 Cl4 N4 P4 -","4","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492045","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178493","2020-10-21","18:00:00",""
"4060440","14.263","0.003","12.312","0.003","18.094","0.006","90","","105.215","0.009","90","","3066","1.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H50 N3 P -","- C31 H50 N3 P -","- C124 H200 N12 P4 -","4","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492045","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060441","10.366","0.001","17.23","0.002","19.646","0.003","77.429","0.004","81.67","0.005","75.9","0.007","3305.9","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H54 N3 P -","- C35 H54 N3 P -","- C140 H216 N12 P4 -","4","2","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492045","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060442","10.637","0.002","10.744","0.002","20.461","0.004","74.795","0.007","84.401","0.006","75.178","0.006","2180.3","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H72 Mg N3 O P -","- C43 H72 Mg N3 O P -","- C86 H144 Mg2 N6 O2 P2 -","2","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492045","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060443","18.489","0.004","18.933","0.004","22.152","0.004","90","","90","","90","","7754","3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H57 Li N2 O P2 -","- C41 H57 Li N2 O P2 -","- C328 H456 Li8 N16 O8 P16 -","8","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492045","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060444","12.56","0.003","20.652","0.004","33.098","0.007","90","","90","","90","","8586","3","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C41.5 H56.5 Li N2 O P2 -","- C41.5 H56.5 Li N2 O P2 -","- C332 H452 Li8 N16 O8 P16 -","8","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492045","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060445","12.324","0.003","12.938","0.004","25.656","0.007","90","","91.38","0.005","90","","4090","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cr N2 O3 P2 -","- C48 H44 Cr N2 O3 P2 -","- C192 H176 Cr4 N8 O12 P8 -","4","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492101","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060446","12.344","0.002","12.934","0.002","25.757","0.005","90","","91.169","0.003","90","","4111.6","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Mo N2 O3 P2 -","- C48 H44 Mo N2 O3 P2 -","- C192 H176 Mo4 N8 O12 P8 -","4","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492101","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060447","10.6849","0.0013","12.9926","0.0016","31.299","0.004","90","","92.867","0.002","90","","4339.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 N2 O3 P2 W -","- C48 H44 N2 O3 P2 W -","- C192 H176 N8 O12 P8 W4 -","4","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492101","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060448","8.1614","0.0006","9.8314","0.0008","17.9801","0.0014","102.598","0.001","91.672","0.001","94.164","0.001","1402.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","04163a","","","- C30 H29 Mo N O3 Sn -","- C30 H29 Mo N O3 Sn -","- C60 H58 Mo2 N2 O6 Sn2 -","2","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492101","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060449","8.156","0.0012","9.824","0.0014","17.981","0.003","102.805","0.002","91.59","0.002","93.886","0.002","1400.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","04177a","","","- C30 H29 N O3 Sn W -","- C30 H29 N O3 Sn W -","- C60 H58 N2 O6 Sn2 W2 -","2","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492101","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060450","14.685","0.002","14.691","0.002","20.695","0.004","95.985","0.003","101.92","0.003","104.487","0.003","4171.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H82 N2 Ni2 O2 P2 -","- C92 H82 N2 Ni2 O2 P2 -","- C184 H164 N4 Ni4 O4 P4 -","2","1","","Hu, Tao; Tang, Li-Ming; Li, Xiao-Fang; Li, Yue-Sheng; Hu, Ning-Hai","Synthesis and Ethylene Polymerization Activity of a Novel, Highly Active Single-Component Binuclear Neutral Nickel(II) Catalyst","Organometallics","2005","24","11","2628","2632","10.1021/om049223e","","","0.71073","MoKα","","0.0926","0.0647","","","0.1738","0.1967","","","","","","1.019","","","","has coordinates","133868","2020-10-21","18:00:00",""
"4060451","16.342","0.003","30.139","0.006","29.457","0.006","90","","102.68","0.03","90","","14155","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H208 N8 O24 Si16 -","- C111 H208 N8 O24 Si16 -","- C444 H832 N32 O96 Si64 -","4","1","","Prabusankar, Ganesan; Murugavel, Ramaswamy; Butcher, Ray J.","Synthesis, Spectral Studies, and Structural Characterization of a New Organosilanetriol, Its Amine Complexes, and a Surface Lewis Basic Cubic Aluminosilicate","Organometallics","2005","24","9","2124","2128","10.1021/om049254+","","","0.71073","MoKα","","0.1082","0.0634","","","0.1525","0.1709","","","","","","1","","","","has coordinates","209049","2020-10-21","18:00:00",""
"4060452","9.728","0.003","9.696","0.003","13.71","0.002","77.332","0.01","74.774","0.013","64.301","0.016","1116.1","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H35 N3 O3 Si2 -","- C17 H35 N3 O3 Si2 -","- C34 H70 N6 O6 Si4 -","2","1","","Prabusankar, Ganesan; Murugavel, Ramaswamy; Butcher, Ray J.","Synthesis, Spectral Studies, and Structural Characterization of a New Organosilanetriol, Its Amine Complexes, and a Surface Lewis Basic Cubic Aluminosilicate","Organometallics","2005","24","9","2124","2128","10.1021/om049254+","","","0.71073","MoKα","","0.0747","0.0647","","","0.1801","0.1924","","","","","","1.039","","","","has coordinates","209049","2020-10-21","18:00:00",""
"4060453","13.849","0.0016","15.341","0.0015","13.394","0.002","90","","114.812","0.012","90","","2583","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 N3 O3 Si2 -","- C23 H33 N3 O3 Si2 -","- C92 H132 N12 O12 Si8 -","4","1","","Prabusankar, Ganesan; Murugavel, Ramaswamy; Butcher, Ray J.","Synthesis, Spectral Studies, and Structural Characterization of a New Organosilanetriol, Its Amine Complexes, and a Surface Lewis Basic Cubic Aluminosilicate","Organometallics","2005","24","9","2124","2128","10.1021/om049254+","","","0.71073","MoKα","","0.1919","0.0612","","","0.1499","0.1879","","","","","","0.998","","","","has coordinates","209049","2020-10-21","18:00:00",""
"4060454","14.498","0.0017","14.498","0.0017","52.767","0.003","90","","90","","90","","11091.2","1.9","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C40 H72 Al2 N6 O7 Si4 -","- C40 H72 Al2 N6 O7 Si4 -","- C320 H576 Al16 N48 O56 Si32 -","8","1","","Prabusankar, Ganesan; Murugavel, Ramaswamy; Butcher, Ray J.","Synthesis, Spectral Studies, and Structural Characterization of a New Organosilanetriol, Its Amine Complexes, and a Surface Lewis Basic Cubic Aluminosilicate","Organometallics","2005","24","9","2124","2128","10.1021/om049254+","","","0.71073","MoKα","","0.3304","0.1155","","","0.2932","0.3987","","","","","","1.059","","","","has coordinates","209049","2020-10-21","18:00:00",""
"4060460","12.115","0.0004","9.2921","0.0003","9.9839","0.0002","90","","91.525","0.002","90","","1123.52","0.05","113.2","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H14 Zr -","- C14 H14 Zr -","- C56 H56 Zr4 -","4","1","","Suzuki, Noriyuki; Watanabe, Takaaki; Iwasaki, Masakazu; Chihara, Teiji","Reaction of 1-Zirconacyclopent-3-yne with ""Zirconocene"": Synthesis and Structure of Bimetallic 1,2,3-Butatriene Complexes","Organometallics","2005","24","9","2065","2069","10.1021/om049288h","","","","","","","","","","","","","","","","","","","","","has coordinates","210313","2020-10-21","18:00:00",""
"4060461","8.7249","0.0006","7.9789","0.0006","13.8141","0.0008","90","","91.116","0.003","90","","961.5","0.1","93.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Zr2 -","- C24 H24 Zr2 -","- C48 H48 Zr4 -","2","0.5","","Suzuki, Noriyuki; Watanabe, Takaaki; Iwasaki, Masakazu; Chihara, Teiji","Reaction of 1-Zirconacyclopent-3-yne with ""Zirconocene"": Synthesis and Structure of Bimetallic 1,2,3-Butatriene Complexes","Organometallics","2005","24","9","2065","2069","10.1021/om049288h","","","","","","","","","","","","","","","","","","","","","has coordinates","210313","2020-10-21","18:00:00",""
"4060462","9.1124","0.0015","14.864","0.005","15.61","0.002","62.273","0.018","87.045","0.013","76.072","0.016","1812","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H46 Cl3 F3 Ir O4 P2 S -","- C28 H46 Cl3 F3 Ir O4 P2 S -","- C56 H92 Cl6 F6 Ir2 O8 P4 S2 -","2","1","","Winter, Angelika M.; Eichele, Klaus; Mack, Hans-Georg; Kaska, William C.; Mayer, Hermann A.","C‒H versus Ir‒X (X = H, Cl) Reactivity in a Tropylium PCP Pincer Iridium Complex^1^","Organometallics","2005","24","8","1837","1844","10.1021/om049289+","","","","","","","","","","","","","","","","","","","","","has coordinates","133923","2020-10-21","18:00:00",""
"4060463","17.016","0.001","13.101","0.001","13.494","0.001","90","","109.14","0.01","90","","2842","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 Ga N4 -","- C29 H45 Ga N4 -","- C116 H180 Ga4 N16 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049304a","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060464","13.332","0.001","14.432","0.001","18.19","0.001","99.08","0.01","95.01","0.01","114","0.01","3112","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32.5 H47 Ga N2 O2 -","- C32.5 H47 Ga N2 O2 -","- C130 H188 Ga4 N8 O8 -","4","2","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049304a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060465","21.529","0.003","22.213","0.003","25.426","0.004","90","","90","","90","","12159","3","118","2","118","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C63 H63 B F20 N2 Ti -","- C63 H63 B F20 N2 Ti -","- C504 H504 B8 F160 N16 Ti8 -","8","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060466","10.8475","0.0006","12.9225","0.0007","13.5292","0.0007","92.797","0.002","96.196","0.001","98.673","0.001","1859.75","0.17","117","2","117","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H63 F N2 Ti -","- C39 H63 F N2 Ti -","- C78 H126 F2 N4 Ti2 -","2","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060467","10.522","0.002","19.451","0.004","17.009","0.003","90","","102.739","0.006","90","","3395.4","1.2","132","2","132","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 B N2 Ti -","- C34 H55 B N2 Ti -","- C136 H220 B4 N8 Ti4 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060468","10.2863","0.0004","27.5797","0.0011","12.3294","0.0005","90","","106.632","0.001","90","","3351.4","0.2","132","2","132","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H51 Br N2 Ti -","- C34 H51 Br N2 Ti -","- C136 H204 Br4 N8 Ti4 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060469","10.4564","0.0008","27.71","0.002","12.3526","0.0009","90","","107.242","0.002","90","","3418.3","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H51 I N2 Ti -","- C33.7565 H50.5617 I1.0487 N2 Ti -","- C135.026 H202.247 I4.1948 N8 Ti4 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060470","9.1297","0.0011","10.3411","0.0012","19.701","0.002","78.359","0.003","87.518","0.003","64.55","0.003","1643","0.3","135","2","135","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H47 F3 N2 O3 S Ti -","- C32 H47 F3 N2 O3 S Ti -","- C64 H94 F6 N4 O6 S2 Ti2 -","2","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060471","9.002","0.0003","11.0365","0.0004","17.3981","0.0006","76.626","0.001","89.154","0.001","78.389","0.001","1646.31","0.1","129","2","129","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H55 B N2 Ti -","- C34 H55 B N2 Ti -","- C68 H110 B2 N4 Ti2 -","2","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060472","9.0907","0.001","11","0.0012","17.1493","0.0018","102.356","0.002","92.035","0.003","99.78","0.003","1646.2","0.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H51 I N2 Ti -","- C34 H51 I N2 Ti -","- C68 H102 I2 N4 Ti2 -","2","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060473","19.2679","0.0019","10.2436","0.0009","13.7096","0.0014","90","","90","","90","","2705.9","0.5","117","2","117","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C29 H43 B N2 Ti -","- C29 H43 B N2 Ti -","- C116 H172 B4 N8 Ti4 -","4","0.5","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060474","9.257","0.0005","17.9054","0.0009","18.097","0.0009","90","","91.72","0.001","90","","2998.2","0.3","136","2","136","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 F3 N2 O3 S Ti -","- C30 H39 F3 N2 O3 S Ti -","- C120 H156 F12 N8 O12 S4 Ti4 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060475","14.3069","0.0017","25.734","0.003","23.411","0.003","90","","90.107","0.003","90","","8619.2","1.7","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C75 H108 Cl6 F6 N4 O10 S2 Ti2 -","- C75 H104 Cl4.616 F6 N4 O10 S2 Ti2 -","- C300 H416 Cl18.464 F24 N16 O40 S8 Ti8 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060476","13.9519","0.0013","14.7843","0.0013","24.856","0.002","76.698","0.002","74.432","0.002","76.658","0.002","4727.7","0.7","117","2","117","2","","","","","","","","8","P -1","-P 1","2","","","","- C92 H110 Cl8 F6 N4 O10 S2 Ti2 -","- C91.354 H108.708 Cl6.708 F6 N4 O10 S2 Ti2 -","- C182.708 H217.416 Cl13.416 F12 N8 O20 S4 Ti4 -","2","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060477","10.6619","0.0004","12.778","0.0004","16.7565","0.0006","91.363","0.001","94.131","0.001","109.029","0.001","2149.8","0.13","132","2","132","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H56 F3 N3 O3 S2 Ti -","- C42 H56 F3 N3 O3 S2 Ti -","- C84 H112 F6 N6 O6 S4 Ti2 -","2","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060478","12.1524","0.0015","12.2081","0.0015","18.14","0.002","77.585","0.003","75.257","0.003","81.809","0.003","2530.8","0.5","136","2","136","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H74 F3 N3 O4 S Ti -","- C50 H74 F3 N3 O4 S Ti -","- C100 H148 F6 N6 O8 S2 Ti2 -","2","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060479","15.851","0.003","16.4","0.003","18.475","0.003","87.6","0.004","82.003","0.004","89.976","0.004","4751.7","1.5","136","2","136","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H72 F3 N3 O3 S Ti -","- C45 H72 F3 N3 O3 S Ti -","- C180 H288 F12 N12 O12 S4 Ti4 -","4","2","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060480","12.764","0.0004","17.7911","0.0006","20.8737","0.0007","90","","98.537","0.001","90","","4687.6","0.3","137","2","137","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 F3 N4 O3 S Ti -","- C48 H61 F3 N4 O3 S Ti -","- C192 H244 F12 N16 O12 S4 Ti4 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060481","14.4433","0.0008","17.8416","0.001","19.2321","0.0011","90","","90","","90","","4956","0.5","136","2","136","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H78 F3 N3 O3 S Ti -","- C50 H78 F3 N3 O3 S Ti -","- C200 H312 F12 N12 O12 S4 Ti4 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060482","16.5273","0.0017","18.0577","0.0019","11.995","0.0012","90","","103.587","0.002","90","","3479.7","0.6","118","2","118","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 Cl2 N2 Ti -","- C35 H53 Cl2 N2 Ti -","- C140 H212 Cl8 N8 Ti4 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060483","10.8769","0.001","18.0325","0.0017","22.469","0.002","90","","100.73","0.002","90","","4330","0.7","114","2","114","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H75 N2 Ti -","- C45 H75 N2 Ti -","- C180 H300 N8 Ti4 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060484","10.6183","0.0016","17.36","0.003","21.862","0.003","90","","96.526","0.004","90","","4003.7","1.1","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H63 I N2 Ti -","- C40 H63 I N2 Ti -","- C160 H252 I4 N8 Ti4 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060485","10.515","0.0011","20.449","0.002","21.768","0.003","90","","99.586","0.003","90","","4615.2","0.9","115","2","115","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H70 F3 N2 O3 S Ti -","- C44 H63 F3 N2 O3 S Ti -","- C176 H252 F12 N8 O12 S4 Ti4 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060486","11.8006","0.0005","12.8199","0.0004","20.4841","0.0008","90","","101.023","0.0016","90","","3041.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Cl3 Ir N5 O2 -","- C31 H25 Cl3 Ir N5 O2 -","- C124 H100 Cl12 Ir4 N20 O8 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049419e","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060487","9.954","0.0002","16.17","0.0003","17.8373","0.0003","90","","101.932","0.0007","90","","2808.99","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 Cl3 Ir N5 O2 -","- C29 H21 Cl3 Ir N5 O2 -","- C116 H84 Cl12 Ir4 N20 O8 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049419e","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060488","15.923","0.0012","15.923","0.0012","29.4013","0.0016","90","","90","","120","","6455.8","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H6 Br F15 Si -","- C21 H6 Br F15 Si -","- C252 H72 Br12 F180 Si12 -","12","0.666667","","Merle, Philippe G.; Cheron, Virginie; Hagen, Henk; Lutz, Martin; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard","Fluorous Zirconocene(IV) Complexes and their Olefin Polymerization Activity in Toluene and Fluorous Biphasic Solvent Systems","Organometallics","2005","","","","","10.1021/om049507z","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060489","46.3678","0.001","6.5983","0.0002","14.2962","0.0004","90","","106.433","0.0014","90","","4195.2","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Cl2 F26 Si2 Zr -","- C30 H28 Cl2 F26 Si2 Zr -","- C120 H112 Cl8 F104 Si8 Zr4 -","4","0.5","","Merle, Philippe G.; Cheron, Virginie; Hagen, Henk; Lutz, Martin; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard","Fluorous Zirconocene(IV) Complexes and their Olefin Polymerization Activity in Toluene and Fluorous Biphasic Solvent Systems","Organometallics","2005","","","","","10.1021/om049507z","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060490","7.8842","0.0001","13.4155","0.0002","15.1449","0.0003","73.4706","0.0007","80.0282","0.0008","87.9965","0.0007","1512.31","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl2 F10 Si2 Zr -","- C28 H24 Cl2 F10 Si2 Zr -","- C56 H48 Cl4 F20 Si4 Zr2 -","2","1","","Merle, Philippe G.; Cheron, Virginie; Hagen, Henk; Lutz, Martin; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard","Fluorous Zirconocene(IV) Complexes and their Olefin Polymerization Activity in Toluene and Fluorous Biphasic Solvent Systems","Organometallics","2005","","","","","10.1021/om049507z","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060494","21.8271","0.0015","19.8107","0.0015","19.5029","0.0016","90","","108.762","0.008","90","","7985.1","1.1","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H92 B F24 N8 Rh Si4 -","- C72 H92 B F24 N8 Rh Si4 -","- C288 H368 B4 F96 N32 Rh4 Si16 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050010e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060495","20.9469","0.0006","20.6092","0.0006","19.3746","0.0004","90","","103.192","0.002","90","","8143.3","0.4","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H100 B F24 N8 Rh Si4 -","- C72 H100 B F24 N8 Rh Si4 -","- C288 H400 B4 F96 N32 Rh4 Si16 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050010e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060496","13.564","0.003","14.897","0.003","13.853","0.003","90","","117.49","0.03","90","","2483.1","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H50 Cl6 O4 P2 Ru -","- C42 H46 Cl2 O4 P2 Ru -","- C84 H92 Cl4 O8 P4 Ru2 -","2","1","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.0422","0.0403","","","0.1136","0.1153","","","","","","1.114","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4060497","10.1035","0.0005","28.61","0.005","18.303","0.005","90","","97.25","0.006","90","","5248.4","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Cl7 F6 P2 Ru Sb -","- C46 H52 Cl F6.014 P2 Ru Sb -","- C184 H208 Cl4 F24.056 P8 Ru4 Sb4 -","4","1","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.0768","0.0569","","","0.1509","0.1599","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4060498","24.3186","0.0011","29.7261","0.0013","16.5645","0.0007","90","","123.608","0.001","90","","9972.8","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cl2 F12 P2 Ru Sb2 -","- C42 H46 F12 P2 Ru Sb2 -","- C336 H368 F96 P16 Ru8 Sb16 -","8","1","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.0946","0.0627","","","0.1424","0.1509","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4060499","14.7948","0.0013","17.8716","0.0015","19.9255","0.0017","97.429","0.001","94.401","0.002","111.458","0.001","4818","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H92 Cl10 F12 P4 Ru2 Sb2 -","- C96 H92 Cl10 F12 P4 Ru2 Sb2 -","- C192 H184 Cl20 F24 P8 Ru4 Sb4 -","2","1","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.125","0.0714","","","0.1686","0.2019","","","","","","1.022","","","","has coordinates,has disorder","133871","2020-10-21","18:00:00",""
"4060500","10.4797","0.0005","11.8099","0.0014","13.5696","0.0012","92.326","0.009","108.03","0.005","112.768","0.008","1447.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 Cl8 P2 Ru2 -","- C50 H60 Cl8 P2 Ru2 -","- C50 H60 Cl8 P2 Ru2 -","1","0.5","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.0611","0.0413","","","0.0982","0.1035","","","","","","1.039","","","","has coordinates","133871","2020-10-21","18:00:00",""
"4060501","11.2957","0.0015","13.4324","0.0011","31.891","0.003","90","","96.17","0.013","90","","4810.8","0.9","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 Cl2 F6 O P2 Ru Sb -","- C42 H47 F6 O P2 Ru Sb -","- C168 H188 F24 O4 P8 Ru4 Sb4 -","4","1","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.071","0.0474","","","0.13","0.139","","","","","","1.074","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060502","9.6834","0.0005","10.1191","0.0006","21.2946","0.0013","94.104","0.005","92.837","0.005","113.374","0.005","1903.54","0.18","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H59 Cl4 P Ru2 -","- C37 H59 Cl4 P Ru2 -","- C74 H118 Cl8 P2 Ru4 -","2","1","","Quebatte, Laurent; Solari, Euro; Scopelliti, Rosario; Severin, Kay","A Bimetallic Ruthenium Ethylene Complex as a Catalyst Precursor for the Kharasch","Organometallics","2005","","","","","10.1021/om050027x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060503","20.316","0.0016","10.0742","0.0007","21.2411","0.0016","90","","118.213","0.008","90","","3830.9","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H47 Cl9 P Ru2 -","- C29 H47 Cl9 P Ru2 -","- C116 H188 Cl36 P4 Ru8 -","4","1","","Quebatte, Laurent; Solari, Euro; Scopelliti, Rosario; Severin, Kay","A Bimetallic Ruthenium Ethylene Complex as a Catalyst Precursor for the Kharasch","Organometallics","2005","","","","","10.1021/om050027x","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060504","9.692","0.002","11.462","0.003","11.968","0.003","99.307","0.004","113.666","0.004","99.323","0.004","1163.2","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 O Si -","- C26 H30 O Si -","- C52 H60 O2 Si2 -","2","1","","Aneetha, Halikhedkar; Wu, Wei; Verkade, John G.","Stereo- and Regioselective Pt(DVDS)/P(^i^BuNCH~2~CH~2~)~3~N-Catalyzed Hydrosilylation of Terminal Alkynes","Organometallics","2005","24","11","2590","2596","10.1021/om050034l","","","0.71073","MoKα","","0.0661","0.0531","","","0.1435","0.156","","","","","","1.02","","","","has coordinates","133866","2020-10-21","18:00:00",""
"4060505","12.0806","0.0011","14.202","0.0013","16.3161","0.0014","87.897","0.002","77.029","0.002","84.659","0.002","2715.7","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Ir2 N2 P2 Si4 -","- C44 H86 Ir2 N2 P2 Si4 -","- C88 H172 Ir4 N4 P4 Si8 -","2","1","","Jimenez, M. V.; Sola, E.; Lahoz, F. J.; Oro, L. A.","Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling","Organometallics","2005","24","11","2722","2729","10.1021/om050044m","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060506","8.0028","0.0007","18.7066","0.0017","21.5672","0.0019","90","","100.095","0.002","90","","3178.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H54 Ir2 N2 O P2 -","- C29 H54 Ir2 N2 O P2 -","- C116 H216 Ir8 N8 O4 P8 -","4","1","","Jimenez, M. V.; Sola, E.; Lahoz, F. J.; Oro, L. A.","Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling","Organometallics","2005","24","11","2722","2729","10.1021/om050044m","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060507","11.2799","0.0002","13.4464","0.0004","22.9421","0.0007","81.286","0.004","77.613","0.004","73.064","0.004","3236.53","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H92 N4 P3 Si4 Ta2 -","- C60 H92 N4 P3 Si4 Ta2 -","- C120 H184 N8 P6 Si8 Ta4 -","2","1","","Shaver, Michael P.; Fryzuk, Michael D.","Phosphine-Induced Ancillary Ligand Orthometalation at a Tantalum-Tantalum Double Bond","Organometallics","2005","24","11","2606","2611","10.1021/om050045e","","","","","","","","","","","","","","","","","","","","","has coordinates","133639","2020-10-21","18:00:00",""
"4060508","11.1558","0.0008","23.487","0.0016","22.5891","0.0017","90","","84.011","0.004","90","","5886.4","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.2 H57.6 N3.2 P2.4 Si3.2 Ta1.6 -","- C43.2 H57.6 N3.2 P2.4 Si3.2 Ta1.6 -","- C216 H288 N16 P12 Si16 Ta8 -","5","1.25","","Shaver, Michael P.; Fryzuk, Michael D.","Phosphine-Induced Ancillary Ligand Orthometalation at a Tantalum-Tantalum Double Bond","Organometallics","2005","24","11","2606","2611","10.1021/om050045e","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060509","8.8194","0.0001","8.8964","0.0001","14.4346","0.0002","76.275","0.001","86.03","0.001","84.964","0.001","1094.59","0.02","200","2","200","2","","","","","","","","6","P -1","-P 1","2","in_paper_11","","","- C19 H25 Co O S4 Si -","- C19 H25 Co O S4 Si -","- C38 H50 Co2 O2 S8 Si2 -","2","1","","Schaefer, Carsten; Werz, Daniel B.; Staeb, Tobias H.; Gleiter, Rolf; Rominger, Frank","CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes: Experimental and Theoretical Investigations","Organometallics","2005","24","9","2016","2113","10.1021/om050048r","","","0.71073","MoKα","","0.0314","0.0263","","","0.0649","0.0673","","","","","","1.058","","","","has coordinates,has disorder","133920","2020-10-21","18:00:00",""
"4060510","9.1494","0.0003","12.4455","0.0005","22.3392","0.0008","79.022","0.001","83.8","0.001","79.226","0.001","2446.25","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","in_paper_14","","","- C14 H17 Co O S4 -","- C14 H17 Co O S4 -","- C84 H102 Co6 O6 S24 -","6","3","","Schaefer, Carsten; Werz, Daniel B.; Staeb, Tobias H.; Gleiter, Rolf; Rominger, Frank","CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes: Experimental and Theoretical Investigations","Organometallics","2005","24","9","2016","2113","10.1021/om050048r","","","0.71073","MoKα","","0.1305","0.0492","","","0.0668","0.0858","","","","","","0.951","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060511","16.4714","0.0006","8.3209","0.0003","15.0158","0.0005","90","","114.331","0.001","90","","1875.23","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","in_paper_15","","","- C16 H19 Co O3 S4 -","- C16 H19 Co O3 S4 -","- C64 H76 Co4 O12 S16 -","4","1","","Schaefer, Carsten; Werz, Daniel B.; Staeb, Tobias H.; Gleiter, Rolf; Rominger, Frank","CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes: Experimental and Theoretical Investigations","Organometallics","2005","24","9","2016","2113","10.1021/om050048r","","","0.71073","MoKα","","0.0566","0.0319","","","0.0613","0.0715","","","","","","1.038","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060512","7.9711","0.0001","14.6145","0.0002","17.7756","0.0001","90","","95.805","0.001","90","","2060.13","0.04","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","in_paper_16","","","- C17 H25 Co O S4 Si -","- C17 H25 Co O S4 Si -","- C68 H100 Co4 O4 S16 Si4 -","4","1","","Schaefer, Carsten; Werz, Daniel B.; Staeb, Tobias H.; Gleiter, Rolf; Rominger, Frank","CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes: Experimental and Theoretical Investigations","Organometallics","2005","24","9","2016","2113","10.1021/om050048r","","","0.71073","MoKα","","0.0411","0.0268","","","0.0573","0.0621","","","","","","1.041","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060513","10.3437","0.0006","10.4068","0.0006","14.8969","0.0009","93.53","0.001","93.912","0.001","102.042","0.001","1559.9","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","in_paper_30","","","- C35 H27 Co O2 S4 -","- C35 H27 Co O2 S4 -","- C70 H54 Co2 O4 S8 -","2","1","","Schaefer, Carsten; Werz, Daniel B.; Staeb, Tobias H.; Gleiter, Rolf; Rominger, Frank","CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes: Experimental and Theoretical Investigations","Organometallics","2005","24","9","2016","2113","10.1021/om050048r","","","0.71073","MoKα","","0.0499","0.0381","","","0.0972","0.1046","","","","","","1.024","","","","has coordinates","133920","2020-10-21","18:00:00",""
"4060514","10.4285","0.0007","12.7683","0.0008","19.6515","0.0012","90","","99.749","0.001","90","","2578.9","0.3","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 B N7 O2 P S W -","- C21 H33 B N7 O2 P S W -","- C84 H132 B4 N28 O8 P4 S4 W4 -","4","1","","Jimenez,M.V.; Lahoz, F.J.; Oro,L.A.; Sola.E","Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling","Organometallics","2005","","","","","10.1021/om050050i","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060515","13.739","0.006","18.886","0.006","17.871","0.005","90","","93.53","0.03","90","","4628","2","223.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 F6 N O2 P3 Ru -","- C48 H52 F6 N O2 P3 Ru -","- C192 H208 F24 N4 O8 P12 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0500523","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060516","12.584","0.006","19.703","0.009","9.045","0.007","98.03","0.06","104.57","0.05","72.12","0.04","2060","2","223.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H42.5 Cl1.5 O2 P2 Ru -","- C48.5 H42.5 Cl1.5 O2 P2 Ru -","- C97 H85 Cl3 O4 P4 Ru2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0500523","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060517","9.875","0.002","21.578","0.002","21.305","0.002","90","","101.92","0.01","90","","4441","1","203.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Cl2 O2 P2 Ru -","- C52 H50 Cl2 O2 P2 Ru -","- C208 H200 Cl8 O8 P8 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0500523","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060518","8.7062","0.0013","17.339","0.003","16.627","0.002","90","","92.716","0.002","90","","2507.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Ce I3 O4 -","- C16 H32 Ce I3 O4 -","- C64 H128 Ce4 I12 O16 -","4","1","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0373","0.0315","","","0.079","0.0829","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060519","22.939","0.002","7.6231","0.0008","24.024","0.003","90","","115.851","0.002","90","","3780.6","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 I N3 O0.5 -","- C15 H30 I N3 O0.5 -","- C120 H240 I8 N24 O4 -","8","2","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0615","0.0395","","","0.0892","0.0975","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060520","14.04","0.004","9.176","0.002","15.583","0.004","90","","110.878","0.004","90","","1875.8","0.8","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 N3 -","- C18 H31 N3 -","- C72 H124 N12 -","4","1","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0645","0.0413","","","0.1016","0.117","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060521","5.9163","0.0004","11.0261","0.0008","11.0801","0.0008","90","","94.608","0.002","90","","720.46","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H21 Br2 N3 -","- C10 H21 Br2 N3 -","- C20 H42 Br4 N6 -","2","1","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0164","0.0159","","","0.0396","0.0397","","","","","","0.89","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060522","11.036","0.0006","12.3745","0.0007","13.04","0.0007","67.205","0.002","69.663","0.002","84.149","0.002","1538.28","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H88 Br2 Ce2 N8 Si4 -","- C38 H84 Br2 Ce2 N8 Si4 -","- C38 H84 Br2 Ce2 N8 Si4 -","1","0.5","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0309","0.0272","","","0.0675","0.0688","","","","","","1.084","","","","has coordinates","133867","2020-10-21","18:00:00",""
"4060523","12.431","0.002","16.307","0.003","19.037","0.004","90","","106.456","0.003","90","","3701.2","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H60 Ce N5 Si4 -","- C25 H60 Ce N5 Si4 -","- C100 H240 Ce4 N20 Si16 -","4","1","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0342","0.0289","","","0.0658","0.068","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060524","11.1998","0.0007","11.5465","0.0008","12.7282","0.0008","70.256","0.002","83.553","0.002","64.661","0.002","1399.17","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H84 Ce2 I2 N8 Si4 -","- C38 H84 Ce2 I2 N8 Si4 -","- C38 H84 Ce2 I2 N8 Si4 -","1","0.5","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0229","0.0199","","","0.047","0.0485","","","","","","1.047","","","","has coordinates","133867","2020-10-21","18:00:00",""
"4060525","24.287","0.004","21.23","0.004","14.748","0.002","90","","104.499","0.004","90","","7362","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H108 Ce2 I2 N8 Si4 -","- C38 H84 Ce2 I2 N8 Si4 -","- C152 H336 Ce8 I8 N32 Si16 -","4","0.5","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0663","0.0587","","","0.1299","0.133","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060526","13.1726","0.001","15.3578","0.0011","16.8018","0.0013","116.426","0.001","107.284","0.001","96.207","0.001","2789.2","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H48 Cl N6 O9 Ru2 -","- C47 H48 Cl N6 O9 Ru2 -","- C94 H96 Cl2 N12 O18 Ru4 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds","Organometallics","2005","24","11","2660","2669","10.1021/om050068t","","","0.71073","MoKα","","0.0969","0.0645","","","0.1892","0.2059","","","","","","1.021","","","","has coordinates","209821","2020-10-21","18:00:00",""
"4060527","15.3752","0.0019","17.5213","0.0017","18.281","0.003","80.346","0.015","82.948","0.014","66.348","0.009","4438.8","1","293","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H93 N8 O6 Ru2 Si3 -","- C79 H93 N8 O6 Ru2 Si3 -","- C158 H186 N16 O12 Ru4 Si6 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds","Organometallics","2005","24","11","2660","2669","10.1021/om050068t","","","0.71073","MoKα","","0.1404","0.0665","","","0.1823","0.1955","","","","","","1.028","","","","has coordinates,has disorder","209821","2020-10-21","18:00:00",""
"4060528","21.2595","0.0007","10.4058","0.0004","33.1698","0.0011","90","","107.811","0.001","90","","6986.2","0.4","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H73 I N8 O6 Ru2 Si2 -","- C68 H73 I N8 O6 Ru2 Si2 -","- C272 H292 I4 N32 O24 Ru8 Si8 -","4","1","","Chen, Wei-Zhong; Ren, Tong","Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds","Organometallics","2005","24","11","2660","2669","10.1021/om050068t","","","0.71073","MoKα","","0.1368","0.0532","","","0.0781","0.1035","","","","","","1.006","","","","has coordinates","209821","2020-10-21","18:00:00",""
"4060529","9.8249","0.0004","12.2573","0.0005","17.0168","0.0007","109.913","0.001","90.523","0.001","93.375","0.001","1922.48","0.14","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 Cl3 N4 O9 Ru2 -","- C35 H38 Cl3 N4 O9 Ru2 -","- C70 H76 Cl6 N8 O18 Ru4 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds","Organometallics","2005","24","11","2660","2669","10.1021/om050068t","","","0.71073","MoKα","","0.0421","0.0326","","","0.071","0.0732","","","","","","1.01","","","","has coordinates","209821","2020-10-21","18:00:00",""
"4060530","22.1088","0.0009","17.002","0.0007","22.1884","0.0009","90","","93.66","0.001","90","","8323.5","0.6","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H86 Fe2 N8 O5 Ru2 -","- C92 H85 Fe2 N8 O5 Ru2 -","- C368 H340 Fe8 N32 O20 Ru8 -","4","1","","Chen, Wei-Zhong; Ren, Tong","Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds","Organometallics","2005","24","11","2660","2669","10.1021/om050068t","","","0.71073","MoKα","","0.087","0.0496","","","0.1224","0.1399","","","","","","1.009","","","","has coordinates,has disorder","209821","2020-10-21","18:00:00",""
"4060531","13.9277","0.0009","20.2552","0.0011","23.2474","0.0014","69.391","0.001","83.568","0.001","89.617","0.001","6096.2","0.6","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H120 I4 N16 O8 Ru4 -","- C128 H120 I4 N16 O8 Ru4 -","- C256 H240 I8 N32 O16 Ru8 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds","Organometallics","2005","24","11","2660","2669","10.1021/om050068t","","","0.71073","MoKα","","0.0774","0.0444","","","0.0989","0.1079","","","","","","1.007","","","","has coordinates","209821","2020-10-21","18:00:00",""
"4060532","15.3775","0.0007","8.4994","0.0003","9.2423","0.0005","90","","90","","90","","1207.96","0.1","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C21 H31 F6 Ir N3 O2 P -","- C21 H31 F6 Ir N3 O2 P -","- C42 H62 F12 Ir2 N6 O4 P2 -","2","0.5","","Díez, Josefina; Gamasa, M. Pilar; Gimeno, José; Paredes, Paloma","Novel Iridium Complexes Containing 2,6-Bis(oxazoline)pyridine Ligands: Synthesis and Reactivity of the Diolefin Iridium(I) Complex [Ir(η^2^-C~2~H~4~)2{κ^3^N,N,N-(S,S)-i-Pr-pybox}][PF~6~] ((S,S)-i-Pr-pybox = 2,6-Bis(4'-(S)-isopropyloxazolin-2'-yl)pyridine)","Organometallics","2005","24","8","1799","1802","10.1021/om050073x","","","","","","","","","","","","","","","","","","","","","has coordinates","133900","2020-10-21","18:00:00",""
"4060533","8.2524","0.0005","16.0006","0.001","9.4409","0.0006","90","","91.441","0.005","90","","1246.21","0.13","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H28 Cl F6 Ir N3 O2 P -","- C20 H28 Cl F6 Ir N3 O2 P -","- C40 H56 Cl2 F12 Ir2 N6 O4 P2 -","2","1","","Díez, Josefina; Gamasa, M. Pilar; Gimeno, José; Paredes, Paloma","Novel Iridium Complexes Containing 2,6-Bis(oxazoline)pyridine Ligands: Synthesis and Reactivity of the Diolefin Iridium(I) Complex [Ir(η^2^-C~2~H~4~)2{κ^3^N,N,N-(S,S)-i-Pr-pybox}][PF~6~] ((S,S)-i-Pr-pybox = 2,6-Bis(4'-(S)-isopropyloxazolin-2'-yl)pyridine)","Organometallics","2005","24","8","1799","1802","10.1021/om050073x","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060534","8.6482","0.0008","10.7943","0.001","11.8122","0.0011","64.442","0.001","75.631","0.002","88.124","0.002","960.17","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Br Ir N2 -","- C21 H26 Br Ir N2 -","- C42 H52 Br2 Ir2 N4 -","2","1","","Hahn, F. Ekkehardt; Holtgrewe, Christian; Pape, Tania; Martin, Marta; Sola, Eduardo; Oro, Luis A.","Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene Ligands and Their Application in Catalytic Transfer Hydrogenation","Organometallics","2005","24","9","2203","2209","10.1021/om0500873","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060535","29.6219","0.0012","10.7321","0.0004","17.8342","0.0007","90","","97.589","0.001","90","","5619.9","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 B Cl6 F4 Ir N2 -","- C23 H28 B Cl6 F4 Ir N2 -","- C184 H224 B8 Cl48 F32 Ir8 N16 -","8","1","","Hahn, F. Ekkehardt; Holtgrewe, Christian; Pape, Tania; Martin, Marta; Sola, Eduardo; Oro, Luis A.","Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene Ligands and Their Application in Catalytic Transfer Hydrogenation","Organometallics","2005","24","9","2203","2209","10.1021/om0500873","","","","","","","","","","","","","","","","","","","","","has coordinates","210322","2020-10-21","18:00:00",""
"4060536","34.958","0.003","7.5715","0.0006","17.765","0.0014","90","","98.403","0.002","90","","4651.6","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Br Ir N2 -","- C24.5 H30.02 Br Ir N2 -","- C196 H240.16 Br8 Ir8 N16 -","8","1","","Hahn, F. Ekkehardt; Holtgrewe, Christian; Pape, Tania; Martin, Marta; Sola, Eduardo; Oro, Luis A.","Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene Ligands and Their Application in Catalytic Transfer Hydrogenation","Organometallics","2005","24","9","2203","2209","10.1021/om0500873","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210322","2020-10-21","18:00:00",""
"4060537","10.5201","0.0003","19.9157","0.0003","21.869","0.0006","90","","97.905","0.001","90","","4538.35","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H71 N O6 W -","- C47 H71 N O6 W -","- C188 H284 N4 O24 W4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050103w","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060538","16.2251","0.0004","16.5889","0.0003","18.8273","0.0004","90","","90","","90","","5067.49","0.19","173","2","173","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C28 H33 N O4 W -","- C28 H33 N O4 W -","- C224 H264 N8 O32 W8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050103w","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060539","12.6104","0.0003","26.2334","0.0007","16.4217","0.0002","90","","103.418","0.001","90","","5284.2","0.2","173","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C55.4 H79.6 N1.2 O4 W -","- C55.4 H79.6 N1.2 O4 W -","- C221.6 H318.4 N4.8 O16 W4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050103w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060543","11.341","0.0003","21.241","0.0005","15.609","0.0005","90","0.0008","110.285","0.001","90","0.0009","3526.91","0.17","220","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Dimitry-21","","","- C58 H120 Hg N2 O3 Si6 -","- C58 H120 Hg N2 O3 Si6 -","- C116 H240 Hg2 N4 O6 Si12 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om050118u","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060544","19.236","0.0017","12.351","0.0013","25.476","0.0016","90","","101.182","0.005","90","","5937.8","0.9","230","2","230","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Dimitry-4 Hg3","","","- C22 H51 Hg1.5 Si3 -","- C22 H51 Hg1.5 Si3 -","- C176 H408 Hg12 Si24 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050118u","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060545","12.074","0.002","15.524","0.003","16.676","0.003","75.65","0.02","81.49","0.02","83.76","0.02","2986.4","0.9","230","1","293","2","","","","","","","","4","P -1","-P 1","2","Dimitry-25 3-Hg","","","- C44 H102 Hg3 Si6 -","- C44 H102 Hg3 Si6 -","- C88 H204 Hg6 Si12 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050118u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060546","12.059","0.008","15.141","0.009","28.53","0.016","76.479","0.03","83.037","0.03","68.299","0.03","4702.3","0.5","210","2","210","2","","","","","","","","4","P -1","-P 1","2","Dimitry-8","","","- C72 H168 Hg4 Si12 -","- C72 H168 Hg4 Si12 -","- C144 H336 Hg8 Si24 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050118u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060547","16.057","0.003","18.188","0.004","22.403","0.005","90","","109.04","0.03","90","","6185","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H76 N2 O8 P4 Ru -","- C62 H76 N2 O8 P4 Ru -","- C248 H304 N8 O32 P16 Ru4 -","4","1","","Victorio Cadierno; Josefina Díez; Joaquín García-Álvarez; José Gimeno","Iminophosphorane-based nucleophilic ruthenium(II) carbene complexes: An unusual C-C coupling and C-H activation by the addition of alkynes to the Ru=C bond","Organometallics","2005","","","","","10.1021/om050121d","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060548","9.0753","0.0006","11.5861","0.0008","14.3546","0.0011","96.168","0.004","102.756","0.004","104.817","0.004","1401.48","0.17","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H57 Cl3 P2 Pt -","- C65 H57 Cl3 P2 Pt -","- C65 H57 Cl3 P2 Pt -","1","0.5","","Victorio Cadierno; Josefina Díez; Joaquín García-Álvarez; José Gimeno","Iminophosphorane-based nucleophilic ruthenium(II) carbene complexes: An unusual C-C coupling and C-H activation by the addition of alkynes to the Ru=C bond","Organometallics","2005","","","","","10.1021/om0501273","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060549","10.2862","0.0006","12.7169","0.0008","13.5664","0.0011","77.919","0.004","70.307","0.004","76.817","0.004","1609.71","0.19","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H70 Cl6 P2 Pt -","- C72 H70 Cl6 P2 Pt -","- C72 H70 Cl6 P2 Pt -","1","0.5","","Victorio Cadierno; Josefina Díez; Joaquín García-Álvarez; José Gimeno","Iminophosphorane-based nucleophilic ruthenium(II) carbene complexes: An unusual C-C coupling and C-H activation by the addition of alkynes to the Ru=C bond","Organometallics","2005","","","","","10.1021/om0501273","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060550","12.3981","0.0011","15.1902","0.0012","16.3181","0.0014","92.748","0.004","104.496","0.004","107.755","0.004","2807.8","0.4","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H118 Au2 Cl10 P4 Pt -","- C117 H116 Au2 Cl10 P4 Pt -","- C117 H116 Au2 Cl10 P4 Pt -","1","0.5","","Victorio Cadierno; Josefina Díez; Joaquín García-Álvarez; José Gimeno","Iminophosphorane-based nucleophilic ruthenium(II) carbene complexes: An unusual C-C coupling and C-H activation by the addition of alkynes to the Ru=C bond","Organometallics","2005","","","","","10.1021/om0501273","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060551","12.9274","0.0015","13.2281","0.0016","15.4074","0.0017","97.937","0.003","91.704","0.003","92.349","0.002","2605.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H45 Cl3 N5 O2 Rh -","- C59 H45 Cl3 N5 O2 Rh -","- C118 H90 Cl6 N10 O4 Rh2 -","2","1","","Yeung, Siu Kwan; Chan, Kin Shing","1,2-Rearrangements of β-Nitrogen-Substituted (Porphyrinato)rhodium(III) Ethyls","Organometallics","2005","24","11","2561","2563","10.1021/om0501475","","","0.71073","MoKα","","0.2207","0.0979","","","0.2547","0.3306","","","","","","0.963","","","","has coordinates","133847","2020-10-21","18:00:00",""
"4060552","13.838","0.003","27.97","0.006","15.52","0.003","90","","96.2","0.03","90","","5972","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H54 N5 Rh -","- C64 H54 N5 Rh -","- C256 H216 N20 Rh4 -","4","1","","Yeung, Siu Kwan; Chan, Kin Shing","1,2-Rearrangements of β-Nitrogen-Substituted (Porphyrinato)rhodium(III) Ethyls","Organometallics","2005","24","11","2561","2563","10.1021/om0501475","","","0.71073","MoKα","","0.1063","0.0827","","","0.219","0.2377","","","","","","1.176","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060553","13.263","0.003","13.699","0.003","14.462","0.003","94.28","0.03","100.58","0.03","113.76","0.03","2331.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 N5 O Rh -","- C54 H46 N5 O Rh -","- C108 H92 N10 O2 Rh2 -","2","1","","Yeung, Siu Kwan; Chan, Kin Shing","1,2-Rearrangements of β-Nitrogen-Substituted (Porphyrinato)rhodium(III) Ethyls","Organometallics","2005","24","11","2561","2563","10.1021/om0501475","","","0.71073","MoKα","","0.0671","0.0661","","","0.2192","0.2214","","","","","","1.11","","","","has coordinates","133847","2020-10-21","18:00:00",""
"4060554","14.32","0.0006","16.7241","0.0007","18.8792","0.0008","99.497","0.001","98.636","0.001","93.273","0.001","4393.3","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H81 N11 O6 Ru2 Si2 -","- C91 H81 N11 O6 Ru2 Si2 -","- C182 H162 N22 O12 Ru4 Si4 -","2","1","","Xu, Guo-Lin; Ren, Tong","Covalent Modification of Diruthenium Metallaynes: A Novel Application of “Click” Reaction in Organometallic Chemistry","Organometallics","2005","24","11","2564","2566","10.1021/om0501632","","","0.71073","MoKα","","0.1119","0.0499","","","0.1053","0.1215","","","","","","0.996","","","","has coordinates","133848","2020-10-21","18:00:00",""
"4060555","22.9842","0.0007","20.0256","0.0006","19.5247","0.0006","90","","98.752","0.001","90","","8882","0.5","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C93 H87 N14 O6 Ru2 Si -","- C93 H87 N14 O6 Ru2 Si -","- C372 H348 N56 O24 Ru8 Si4 -","4","1","","Xu, Guo-Lin; Ren, Tong","Covalent Modification of Diruthenium Metallaynes: A Novel Application of “Click” Reaction in Organometallic Chemistry","Organometallics","2005","24","11","2564","2566","10.1021/om0501632","","","0.71073","MoKα","","0.1689","0.0577","","","0.0924","0.1162","","","","","","1.006","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060556","9.073","0.0006","17.5804","0.0011","16.3959","0.0011","90","","92.174","0.001","90","","2613.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Br2 Ni P2 -","- C24 H36 Br2 Ni P2 -","- C96 H144 Br8 Ni4 P8 -","4","1","","Rowshan Ara Begum; Paul R. Sharp","Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry","Organometallics","2005","","","","","10.1021/om050164u","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060557","8.6824","0.0016","13.568","0.002","17.428","0.003","90","","90","","90","","2053","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Br2 Ni P2 -","- C18 H24 Br2 Ni P2 -","- C72 H96 Br8 Ni4 P8 -","4","1","","Rowshan Ara Begum; Paul R. Sharp","Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry","Organometallics","2005","","","","","10.1021/om050164u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060558","8.974","0.003","9.015","0.003","16.554","0.005","78.089","0.005","78.041","0.005","81.992","0.005","1275.4","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Br2 Ni O P2 -","- C22 H32 Br2 Ni O P2 -","- C44 H64 Br4 Ni2 O2 P4 -","2","1","","Rowshan Ara Begum; Paul R. Sharp","Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry","Organometallics","2005","","","","","10.1021/om050164u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060559","8.9778","0.0005","15.5446","0.0008","10.1242","0.0005","90","","110.34","0.001","90","","1324.8","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H36 Br2 P2 Pt -","- C24 H36 Br2 P2 Pt -","- C48 H72 Br4 P4 Pt2 -","2","1","","Rowshan Ara Begum; Paul R. Sharp","Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry","Organometallics","2005","","","","","10.1021/om050164u","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060560","8.3476","0.0006","19.4553","0.0015","22.165","0.0017","64.417","0.001","87.029","0.001","80.703","0.001","3203.5","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H48 Br2 P2 Pt -","- C30.994 H48 Br1.9995 P2 Pt -","- C123.976 H192 Br7.998 P8 Pt4 -","4","2","","Rowshan Ara Begum; Paul R. Sharp","Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry","Organometallics","2005","","","","","10.1021/om050164u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060561","13.985","0.003","13.971","0.003","14.582","0.003","90","","95.79","0.003","90","","2834.7","1.1","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C54 H78 Br2 Hg Ni2 P4 -","- C54 H78 Br2 Hg Ni2 P4 -","- C108 H156 Br4 Hg2 Ni4 P8 -","2","0.25","","Rowshan Ara Begum; Paul R. Sharp","Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry","Organometallics","2005","","","","","10.1021/om050164u","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060562","18.2792","0.0012","22.9191","0.0015","8.519","0.0006","90","","90","","90","","3569","0.4","173","2","173","2","","","","","","","","2","A b a 2","A 2 -2ab","41","","","","- C24 H26 -","- C24 H26 -","- C192 H208 -","8","","","Rowshan Ara Begum; Paul R. Sharp","Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry","Organometallics","2005","","","","","10.1021/om050164u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060563","29.7603","0.0016","9.6127","0.0005","23.972","0.0013","90","","107.436","0.001","90","","6542.7","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 Br2 Hg P4 Pt2 -","- C62 H87 Br2 Hg P4 Pt2 -","- C248 H348 Br8 Hg4 P16 Pt8 -","4","0.5","","Rowshan Ara Begum; Paul R. Sharp","Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry","Organometallics","2005","","","","","10.1021/om050164u","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060564","8.5846","","10.7532","","14.1927","","70.386","0.009","73.927","0.01","71.42","0.009","1148.43","0.0001","298.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 Ir O6 S2 -","- C20 H27 Ir O6 S2 -","- C40 H54 Ir2 O12 S4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050169r","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060565","10.9015","0.0001","11.1238","0.0002","11.3765","0.0004","89.846","0.005","70.899","0.004","67.032","0.003","1187.83","0.05","298.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H31 Ir O4 S2 Si -","- C20 H31 Ir O4 S2 Si -","- C40 H62 Ir2 O8 S4 Si2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050169r","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060566","17.9309","0.0005","13.0331","0.0004","20.1731","0.0007","90","","106.137","0.0005","90","","4528.6","0.2","298.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 Cl2 Ir2 O8 S4 -","- C35 H48 Cl2 Ir2 O8 S4 -","- C140 H192 Cl8 Ir8 O32 S16 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050169r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060567","8.175","0.0008","31.572","0.003","11.2418","0.001","90","","103.062","0.0011","90","","2826.5","0.4","298.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Ir O9 P S2 -","- C23 H36 Ir O9 P S2 -","- C92 H144 Ir4 O36 P4 S8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050169r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060568","7.8461","0.0004","10.828","0.0005","16.3196","0.0009","100.32","0.002","103.658","0.002","97.87","0.002","1301.97","0.11","298.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H32 Cl Ir O4 S2 Si -","- C20 H32 Cl Ir O4 S2 Si -","- C40 H64 Cl2 Ir2 O8 S4 Si2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050169r","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060569","8.0303","0.0003","16.5205","0.0007","21.9315","0.0009","90","","90","","90","","2909.5","0.2","98","","98","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Zr -","- C16 H24 Zr -","- C128 H192 Zr8 -","8","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060570","19.562","0.001","19.585","0.001","44.077","0.001","90","","90","","90","","16886.9","1.3","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H43 B F4 P2 Pd -","- C51 H43 B F4 P2 Pd -","- C816 H688 B16 F64 P32 Pd16 -","16","2","","Christian Amatore; Ali A. Bahsoun; Anny Jutand; Laure Mensah; Gilbert Meyer; Louis Ricard","Rate and Mechanism of the Reaction of (E)-PhCH=CH-CH(Ph)-OAc with Palladium(0) Complexes","Organometallics","2005","","","","","10.1021/om049420d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061381","15.528","0.004","12.698","0.003","19.665","0.005","90","","102.008","0.005","90","","3792.5","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3.38 H3.08 N0.62 Pt0.15 -","- C3.38462 H3.07692 N0.615385 Pt0.153846 -","- C176 H160 N32 Pt8 -","52","13","","","","Organometallics","2005","","","","","10.1021/om050133z","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061382","21.705","0.005","12.645","0.003","23.116","0.005","90","","107.449","0.003","90","","6053","2","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C4.62 H2.85 B0.08 F1.85 N0.31 Pt0.08 S0.08 -","- C4.61538 H2.84615 B0.0769231 F1.84615 N0.307692 Pt0.0769231 S0.0769231 -","- C240 H148 B4 F96 N16 Pt4 S4 -","52","13","","","","Organometallics","2005","","","","","10.1021/om050133z","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061383","12.725","0.004","13.16","0.004","18.895","0.006","99.79","0.005","100.73","0.005","94.316","0.006","3044.8","1.5","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C24.4 H15.6 B0.4 F9.6 N1.6 Pt0.4 S0.4 -","- C24.4 H15.6 B0.4 F9.6 N1.6 Pt0.4 S0.4 -","- C122 H78 B2 F48 N8 Pt2 S2 -","5","2.5","","","","Organometallics","2005","","","","","10.1021/om050133z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061384","12.712","0.003","13.046","0.003","18.856","0.004","100.179","0.004","98.503","0.004","94.68","0.004","3025.4","1.2","571","2","571","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14.4 B0.4 F9.6 N2 Pt0.4 -","- C24.4 H14.4 B0.4 F9.6 N2 Pt0.4 -","- C122 H72 B2 F48 N10 Pt2 -","5","2.5","","","","Organometallics","2005","","","","","10.1021/om050133z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061385","16.2564","0.001","18.0258","0.0011","19.6093","0.0012","90","","90","","90","","5746.2","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H15 Ag12 F24 N9 O19 -","- C35 H15 Ag12 F24 N9 O19 -","- C140 H60 Ag48 F96 N36 O76 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049055q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061386","15.4516","0.0011","51.319","0.004","11.3424","0.0008","90","","96.009","0.002","90","","8944.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H17 Ag20 F40 N11 O27 -","- C57 H17 Ag20 F40 N11 O27 -","- C228 H68 Ag80 F160 N44 O108 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049055q","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061387","26.5859","0.0007","26.5859","0.0007","11.9092","0.0007","90","","90","","90","","8417.5","0.6","213","2","213","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C28 H22 Si -","- C28 H22 Si -","- C448 H352 Si16 -","16","1","","","","Organometallics","2005","","","","","10.1021/om0490886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061388","26.457","0.002","26.457","0.002","11.846","0.002","90","","90","","90","","8292.1","1.8","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C28 H22 Ge -","- C28 H22 Ge -","- C448 H352 Ge16 -","16","1","","","","Organometallics","2005","","","","","10.1021/om0490886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061389","10.0229","0.0017","12.806","0.002","17.695","0.003","89.44","0.003","88.558","0.003","71.737","0.003","2156.1","0.6","218","2","218","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H42 Si2 -","- C56 H42 Si2 -","- C112 H84 Si4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0490886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061390","12.4024","0.0009","19.9497","0.0014","18.2523","0.0013","90","","104.951","0.001","90","","4363.2","0.5","213","2","213","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 Si2 -","- C58 H46 Si2 -","- C232 H184 Si8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0490886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061391","26.5807","0.0012","26.5807","0.0012","11.9078","0.001","90","","90","","90","","8413.3","0.9","203","2","203","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H20 D2 Si -","- C28 H20 D2 Si -","- C448 H320 D32 Si16 -","16","1","","","","Organometallics","2005","","","","","10.1021/om0490886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061392","26.5534","0.0012","26.5534","0.0012","11.9358","0.001","90","","90","","90","","8415.7","0.9","203","2","203","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H20 D2 Ge -","- C28 H22 Ge -","- C448 H352 Ge16 -","16","1","","","","Organometallics","2005","","","","","10.1021/om0490886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061393","9.3121","0.0015","15.201","0.003","13.422","0.002","90","","101.348","0.003","90","","1862.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Cl4 Zr2 -","- C40 H42 Cl4 Zr2 -","- C80 H84 Cl8 Zr4 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om049316w","","","","","","","0.0348","","","0.0995","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061394","8.782","0.002","15.6","0.003","22.705","0.006","107.58","0.02","101.17","0.03","89.98","0.03","2903.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H66 Cl4 O2 Ti2 -","- C54 H66 Cl4 O2 Ti2 -","- C108 H132 Cl8 O4 Ti4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om049316w","","","","","","","0.1425","","","0.3963","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061395","9.9829","0.0007","10.3129","0.0008","10.5462","0.0008","105.068","0.002","94.188","0.002","113.742","0.002","940.1","0.12","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H62 N2 Si Ti -","- C38 H62 N2 Si Ti -","- C38 H62 N2 Si Ti -","1","1","","","","Organometallics","2005","","","","","10.1021/om049318g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061396","29.025","0.004","29.025","0.004","12.17","0.002","90","","90","","120","","8879","2","125","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C38 H58 N2 O Ti -","- C38 H58 N2 O Ti -","- C342 H522 N18 O9 Ti9 -","9","3","","","","Organometallics","2005","","","","","10.1021/om049318g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061397","13.0516","0.0009","22.653","0.0017","14.487","0.0012","90","","98.217","0.002","90","","4239.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H70 N2 Ti -","- C47 H70 N2 Ti -","- C188 H280 N8 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049318g","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061398","9.158","0.003","13.307","0.004","14.68","0.004","80.214","0.007","81.987","0.007","72.65","0.007","1675.3","0.8","112","2","112","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H112 N4 Ti2 -","- C73 H108 N4 Ti2 -","- C73 H108 N4 Ti2 -","1","0.5","","","","Organometallics","2005","","","","","10.1021/om049318g","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061399","19.03","0.0015","11.3547","0.0011","18.246","0.0015","90","","108.729","0.003","90","","3733.8","0.6","122","2","122","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 N2 Si Ti -","- C38 H62 N2 Si Ti -","- C152 H248 N8 Si4 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049318g","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061400","12.9907","0.0008","19.1712","0.0011","15.3903","0.0009","90","","106.712","0.002","90","","3671","0.4","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H58.46 N2 O Ti -","- C38 H58.444 N2 O Ti -","- C152 H233.776 N8 O4 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049318g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178511","2020-10-21","18:00:00",""
"4061401","8.977","0.003","15.62","0.005","23.026","0.008","90","","99.198","0.008","90","","3187.3","1.9","121","2","121","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 N2 Ti -","- C34 H51 N2 Ti -","- C136 H204 N8 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049318g","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061402","12.1397","0.001","17.3749","0.0014","17.8523","0.0014","90","","96.395","0.002","90","","3742.1","0.5","122","2","122","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H63 N2 Ti -","- C40 H63 N2 Ti -","- C160 H252 N8 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049318g","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061403","9.486","0.0003","13.758","0.0005","14.152","0.0006","62.843","0.0015","80.116","0.0017","89.903","0.0016","1612.75","0.1","230","0.1","230","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H66 N10 P4 Ti2 -","- C72 H66 N10 P4 Ti2 -","- C72 H66 N10 P4 Ti2 -","1","0.5","","Smolensky, Elena; Kapon, Moshe; Woollins, J. Derek; Eisen, Moris S.","Formation of Elastomeric Polypropylene Promoted by a Dynamic Octahedral Titanium Complex","Organometallics","2005","","13","3255","3265","10.1021/om050015b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061404","10.064","0.0001","18.313","0.0003","22.05","0.0004","90","","95.666","0.0006","90","","4044","0.11","230","0.1","230","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 N6 P2 Ti -","- C42 H48 N6 P2 Ti -","- C168 H192 N24 P8 Ti4 -","4","1","","Smolensky, Elena; Kapon, Moshe; Woollins, J. Derek; Eisen, Moris S.","Formation of Elastomeric Polypropylene Promoted by a Dynamic Octahedral Titanium Complex","Organometallics","2005","","13","3255","3265","10.1021/om050015b","","","","","","","","","","","","","","","","","","","","","has coordinates","208983","2020-10-21","18:00:00",""
"4061405","6.824","0.003","29.68","0.01","12.193","0.005","90","0.001","103.03","0.001","90","0.001","2406.2","0.1","173.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Fe O3 Sn -","- C28 H22 Fe O3 Sn -","- C112 H88 Fe4 O12 Sn4 -","4","1","","Gridnev, Ilya D.; del Rosario, Mia Karenina C.","Two diatropic rearrangements in the irontricarbonyl complex of cycloheptatrienyl","Organometallics","2005","","","","","10.1021/om050039i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061406","17.043","0.007","14.992","0.006","23.022","0.009","90","","109.605","0.002","90","","5541.3","3.9","223.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H22 O5 Ru2 Sn -","- C30 H22 O5 Ru2 Sn -","- C240 H176 O40 Ru16 Sn8 -","8","2","","Gridnev, Ilya D.; del Rosario, Mia Karenina C.","","Organometallics","2005","","","","","10.1021/om050039i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061407","12.154","0.0002","14.952","0.0003","18.43","0.0003","90","","120.579","0.001","90","","2883.44","0.09","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H72 P4 Pt2 -","- C65 H72 P4 Pt2 -","- C130 H144 P8 Pt4 -","2","0.5","","Kathryn Arthur; Qi L. Wang; Nicole A. Smythe; Bridget A. ONeill; Dawn M. Bregel; Werner Kaminsky; Karen Goldberg; Kenneth G. Moloy","The Gem-Dialkyl Effect as a Test for Preliminary Diphosphine Chelate Opening in a Reductive Elimination Reaction","Organometallics","2005","","","","","10.1021/om0500467","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061408","10.4249","0.0008","13.737","0.0011","20.5729","0.0015","90","","92.199","0.002","90","","2944","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Co2 O6 P2 -","- C31 H22 Co2 O6 P2 -","- C124 H88 Co8 O24 P8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050060j","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061409","14.0309","0.0009","18.7606","0.0012","16.4738","0.0011","90","","91.169","0.001","90","","4335.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 Co2 O4 P3 -","- C45 H45 Co2 O4 P3 -","- C180 H180 Co8 O16 P12 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050060j","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061410","11.6958","0.0002","18.598","0.0003","13.0171","0.0002","90","","96.706","0.001","90","","2812.09","0.08","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 Cl3 N4 O Ti -","- C25 H35 Cl3 N4 O Ti -","- C100 H140 Cl12 N16 O4 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050063w","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061411","10.7759","0.0002","13.7408","0.0003","14.4792","0.0003","108.529","0.001","107.328","0.001","103.069","0.001","1814.58","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H60 N7 O Ti -","- C34 H60 N7 O Ti -","- C68 H120 N14 O2 Ti2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050063w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061412","12.8927","0.0002","17.6351","0.0003","16.4832","0.0003","90","","94.777","0.001","90","","3734.7","0.1","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 Cl2 N5 O Ti -","- C34 H49 Cl2 N5 O Ti -","- C136 H196 Cl8 N20 O4 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050063w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178511","2020-10-21","18:00:00",""
"4061413","9.0545","0.0001","15.0141","0.0002","29.1285","0.0003","90","","90","","90","","3959.88","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bisdimethylsulfoxide-bis(2-tolyl)platinum","cis-syn-Bisdimethylsulfoxide-bis(2-tolyl)platinum(II)","","- C18 H26 O2 Pt S2 -","- C18 H26 O2 Pt S2 -","- C144 H208 O16 Pt8 S16 -","8","1","","Klein, Axel; Schurr, Thilo; Knödler, Axel; Gudat, Dietrich; Klinkhammer, Karl-Wilhelm; Jain, Vimal K.; Záliš, Stanislav; Kaim, Wolfgang","Multiple Isomerism (cis/trans; syn/anti) in [(dmso)~2~Pt(aryl)~2~] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation","Organometallics","2005","24","17","4125","4131","10.1021/om050076+","","","0.71073","MoKα","","0.0745","0.0544","","","0.1166","0.1212","","","","","","1.447","","","","has coordinates","133898","2020-10-21","18:00:00",""
"4061414","9.1368","0.0018","9.384","0.0019","12.224","0.002","90","","97.83","0.03","90","","1038.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trans-(dmso)2Pt(Xyl)2","","","- C20 H30 O2 Pt S2 -","- C20 H30 O2 Pt S2 -","- C40 H60 O4 Pt2 S4 -","2","0.5","","Klein, Axel; Schurr, Thilo; Knödler, Axel; Gudat, Dietrich; Klinkhammer, Karl-Wilhelm; Jain, Vimal K.; Záliš, Stanislav; Kaim, Wolfgang","Multiple Isomerism (cis/trans; syn/anti) in [(dmso)~2~Pt(aryl)~2~] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation","Organometallics","2005","24","17","4125","4131","10.1021/om050076+","","","0.71073","MoKα","","0.0534","0.0424","","","0.1145","0.1233","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061415","11.144","0.002","15.657","0.003","17.844","0.004","106.77","0.03","91.85","0.03","98.91","0.03","2935.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H42 B10 N3 P Ti -","- C21 H42 B10 N3 P Ti -","- C84 H168 B40 N12 P4 Ti4 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050079m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061416","9.0881","0.0018","15.854","0.003","20.741","0.004","90","","90","","90","","2988.4","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H42 B10 N3 P Zr -","- C21 H42 B10 N3 P Zr -","- C84 H168 B40 N12 P4 Zr4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050079m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061417","9.0829","0.0018","15.803","0.003","20.704","0.004","90","","90","","90","","2971.8","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H42 B10 Hf N3 P -","- C21 H42 B10 Hf N3 P -","- C84 H168 B40 Hf4 N12 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050079m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061418","9.2717","0.0005","17.7991","0.0009","21.3392","0.0011","90","","101.151","0.001","90","","3455.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H50 B10 Hf N3 P -","- C25 H50 B10 Hf N3 P -","- C100 H200 B40 Hf4 N12 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050079m","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061419","11.0333","0.0007","12.1012","0.0008","20.0853","0.0013","102.192","0.002","91.256","0.002","102.5","0.001","2552.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H60 B10 N7 O3 P Zr -","- C44 H61 B10 N7 O3 P Zr -","- C88 H122 B20 N14 O6 P2 Zr2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050079m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061420","10.8963","0.0012","14.7517","0.0016","16.354","0.0017","77.524","0.003","78.818","0.003","69.933","0.002","2390.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H70 B10 Li2 N O8 P -","- C33 H70 B10 Li2 N O8 P -","- C66 H140 B20 Li4 N2 O16 P2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050079m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061421","10.623","0.003","12.484","0.003","15.08","0.004","104.166","0.004","106.647","0.004","98.88","0.004","1802.9","0.8","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C31 H42 Au B F4 N Os P Si2 -","- C31 H42 Au B F4 N Os P Si2 -","- C62 H84 Au2 B2 F8 N2 Os2 P2 Si4 -","2","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Organometallics","2005","","","","","10.1021/om050084q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061422","10.963","0.003","10.605","0.003","22.625","0.007","90","","96.433","0.005","90","","2613.8","1.4","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 F3 N O3 Os S Si2 -","- C14 H27 F3 N O3 Os S Si2 -","- C56 H108 F12 N4 O12 Os4 S4 Si8 -","4","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Organometallics","2005","","","","","10.1021/om050084q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178511","2020-10-21","18:00:00",""
"4061423","13.277","0.002","15.354","0.003","17.415","0.003","90","","90","","90","","3550","1","250","2","250","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 Cl2 F3 N2 O3 Rh S -","- C38 H36 Cl2 F3 N2 O3 Rh S -","- C152 H144 Cl8 F12 N8 O12 Rh4 S4 -","4","1","","Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg","Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N–H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation","Organometallics","2005","24","13","3207","3218","10.1021/om0500927","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061424","13.1017","0.0008","15.3873","0.0009","17.6382","0.0011","90","","90","","90","","3555.9","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H49 N2 O2 Rh -","- C44 H49 N2 O2 Rh -","- C176 H196 N8 O8 Rh4 -","4","1","","Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg","Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N–H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation","Organometallics","2005","24","13","3207","3218","10.1021/om0500927","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061425","10.9913","0.0007","17.388","0.0012","22.5209","0.0015","90","","90","","90","","4304.1","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H42 F6 N4 P Rh -","- C48 H42 F6 N4 P Rh -","- C192 H168 F24 N16 P4 Rh4 -","4","1","","Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg","Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N–H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation","Organometallics","2005","24","13","3207","3218","10.1021/om0500927","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061426","9.8579","0.0006","20.2719","0.0012","11.175","0.0007","90","","115","0.001","90","","2024","0.2","250","2","250","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H44 Cl Ir N2 O -","- C52 H44 Cl Ir N2 O -","- C104 H88 Cl2 Ir2 N4 O2 -","2","1","","Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg","Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N‒H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation","Organometallics","2005","24","13","3207","3218","10.1021/om0500927","","","","","","","","","","","","","","","","","","","","","has coordinates","209048","2020-10-21","18:00:00",""
"4061427","10.7102","0.001","20.4087","0.0019","18.6521","0.0017","90","","93.045","0.002","90","","4071.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H62 K2 O4 Si4 -","- C26 H62 K2 O4 Si4 -","- C104 H248 K8 O16 Si16 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050098w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178511","2020-10-21","18:00:00",""
"4061428","15.227","0.006","15.227","0.006","17.212","0.015","90","","90","","90","","3991","4","203","2","203","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C26 H58 O2 Si4 Yb -","- C26 H58 O2 Si4 Yb -","- C104 H232 O8 Si16 Yb4 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050098w","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061429","14.82","0.004","14.82","0.004","16.579","0.006","90","","90","","90","","3641.1","1.8","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C37.5 H37.5 Eu O Si8 -","- C26 H44 Eu O2 Si4 -","- C104 H176 Eu4 O8 Si16 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050098w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061430","20.969","0.005","10.579","0.002","20.325","0.005","90","","90","","90","","4508.8","1.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H71 Ce O Si6 -","- C31 H71 Ce O Si6 -","- C124 H284 Ce4 O4 Si24 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050098w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061431","10.622","0.004","42.017","0.017","19.919","0.008","90","","94.522","0.007","90","","8862","6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H65 O Si6 Tb -","- C31 H65 O Si6 Tb -","- C248 H520 O8 Si48 Tb8 -","8","2","","","","Organometallics","2005","","","","","10.1021/om050098w","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061432","14.911","0.002","14.911","0.002","16.907","0.005","90","","90","","90","","3759.1","1.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C26 H58 O2 Si4 Sm -","- C26 H58 O2 Si4 Sm -","- C104 H232 O8 Si16 Sm4 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050098w","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061433","17.626","0.004","22.035","0.005","22.441","0.005","90","","103.146","0.003","90","","8487","3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","triphosphane","","","- C64 H127 Fe P3 Si12 -","- C64 H127 Fe P3 Si12 -","- C256 H508 Fe4 P12 Si48 -","4","1","","Noriyoshi Nagahora; Takahiro Sasamori; Nobuhiro Takeda; Norihiro Tokitoh","Synthesis and Structure of a Stable 1,3-Dihydrotriphosphane","Organometallics","2005","","","","","10.1021/om0501069","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061434","9.4478","0.0002","12.1148","0.0002","17.3097","0.0003","72.1513","0.0007","78.4997","0.0008","71.8927","0.0008","1780.58","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 Cl2 O7 Os3 P2 -","- C33 H24 Cl2 O7 Os3 P2 -","- C66 H48 Cl4 O14 Os6 P4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050110k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061435","17.8889","0.0003","16.9945","0.0003","22.0581","0.0005","90","","90","","90","","6705.9","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H21 O7 Os3 P2 S -","- C34 H21 O7 Os3 P2 S -","- C272 H168 O56 Os24 P16 S8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050110k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061436","10.6868","0.0006","11.9802","0.0007","23.3066","0.0014","90","","91.099","0.001","90","","2983.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 O9 Os3 P2 -","- C28 H16 O9 Os3 P2 -","- C112 H64 O36 Os12 P8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050110k","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061437","13.542","0.003","13.872","0.003","14.801","0.003","102.95","0.03","90.03","0.03","94.13","0.03","2702.1","0.9","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H49 Cl4 F6 Ir N O3 P2 Sb -","- C54 H45 F6 Ir N O3 P2 Sb -","- C108 H90 F12 Ir2 N2 O6 P4 Sb2 -","2","1","","Li, X; Incarvito, C. D.; Crabtree, R. H.","""Intramolecular Oxygen Transfer from a Nitro Group to a C-C Triple Bond Mediated by Iridium Hydrides""","Organometallics","2005","","","","","10.1021/om050116+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061438","11.151","0.002","11.747","0.002","20.581","0.004","84.86","0.03","86.68","0.03","72.19","0.03","2554.9","0.9","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C55.5 H48 Cl F6 Ir N O3 P2 Sb -","- C55.5 H48 Cl F6 Ir N O3 P2 Sb -","- C111 H96 Cl2 F12 Ir2 N2 O6 P4 Sb2 -","2","1","","Li, X; Incarvito, C. D.; Crabtree, R. H.","""Intramolecular Oxygen Transfer from a Nitro Group to a C-C Triple Bond Mediated by Iridium Hydrides""","Organometallics","2005","","","","","10.1021/om050116+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061439","11.3579","0.0003","14.7348","0.0005","15.5007","0.0005","90","","98.663","0.002","90","","2564.55","0.13","173.2","","173.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H52 F12 N3 P Ru Sb2 -","- C46 H52 F12 N3 P Ru Sb2 -","- C92 H104 F24 N6 P2 Ru2 Sb4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0501226","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061440","16.0618","0.0003","13.2169","0.0003","23.3214","0.0006","90","","107.784","0.0013","90","","4714.26","0.18","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-dibromodigermene","","","- C74 H150 Br2 Ge2 Si14 -","- C74 H150 Br2 Ge2 Si14 -","- C148 H300 Br4 Ge4 Si28 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om050129n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178511","2020-10-21","18:00:00",""
"4061441","18.5171","0.0002","9.3905","0.0001","57.6428","0.001","90","","96.3281","0.0007","90","","9962.1","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,3,2,4-tetrathiagermetane","","","- C72 H162 Br2 Ge2 S2 Si14 -","- C72 H162 Br2 Ge2 S2 Si14 -","- C288 H648 Br8 Ge8 S8 Si56 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050129n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178511","2020-10-21","18:00:00",""
"4061442","18.253","0.004","14.993","0.003","19.523","0.004","90","","104.23","0.03","90","","5178.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H84 Ni O0.5 P2 Zr -","- C52 H84 Ni O0.5 P2 Zr -","- C208 H336 Ni4 O2 P8 Zr4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050148x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061443","16.976","0.003","12.365","0.002","21.226","0.004","90","","94.61","0.03","90","","4441.1","1.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Ni O P2 Zr -","- C54 H52 Ni O P2 Zr -","- C216 H208 Ni4 O4 P8 Zr4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050148x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178511","2020-10-21","18:00:00",""
"4061444","9.105","0.001","24.945","0.005","9.626","0.001","90","","99.16","0.05","90","","2158.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N2 O P Pd -","- C23 H25 N2 O P Pd -","- C92 H100 N8 O4 P4 Pd4 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals: A Versatile, Ambivalent Behavior","Organometallics","2005","24","13","3149","3157","10.1021/om050156d","","","","","","","","","","","","","","","","","","","","","has coordinates","219030","2020-10-21","18:00:00",""
"4061445","9.258","0.001","10.199","0.001","14.834","0.002","80.986","0.005","73.696","0.005","78.136","0.005","1308.3","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H26 F3 N2 O4 P Pd S -","- C24 H26 F3 N2 O4 P Pd S -","- C48 H52 F6 N4 O8 P2 Pd2 S2 -","2","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals: A Versatile, Ambivalent Behavior","Organometallics","2005","24","13","3149","3157","10.1021/om050156d","","","","","","","","","","","","","","","","","","","","","has coordinates","219030","2020-10-21","18:00:00",""
"4061446","9.294","0.0002","11.457","0.0002","11.615","0.0003","86.9","0.0008","80.43","0.0007","72.98","0.0011","1166.14","0.04","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H25 Au Cl N2 O P Pd -","- C23 H25 Au Cl N2 O P Pd -","- C46 H50 Au2 Cl2 N4 O2 P2 Pd2 -","2","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals: A Versatile, Ambivalent Behavior","Organometallics","2005","24","13","3149","3157","10.1021/om050156d","","","","","","","","","","","","","","","","","","","","","has coordinates","219030","2020-10-21","18:00:00",""
"4061447","9.762","0.0002","19.412","0.0005","15.588","0.0004","90","","98.553","0.0009","90","","2921.07","0.12","173","2","173","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Au B F4 N2 O P Pd S -","- C27 H33 Au B F4 N2 O P Pd S -","- C108 H132 Au4 B4 F16 N8 O4 P4 Pd4 S4 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals: A Versatile, Ambivalent Behavior","Organometallics","2005","24","13","3149","3157","10.1021/om050156d","","","","","","","","","","","","","","","","","","","","","has coordinates","219030","2020-10-21","18:00:00",""
"4061448","10.086","0.0001","13.205","0.0002","21.259","0.0003","90.27","0.05","92.78","0.04","99.31","0.09","2790.6","0.7","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C48 H54 Au B Cl4 F4 N4 O2 P2 Pd2 -","- C48 H54 Au B Cl4 F4 N4 O2 P2 Pd2 -","- C96 H108 Au2 B2 Cl8 F8 N8 O4 P4 Pd4 -","2","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals: A Versatile, Ambivalent Behavior","Organometallics","2005","24","13","3149","3157","10.1021/om050156d","","","","","","","","","","","","","","","","","","","","","has coordinates","219030","2020-10-21","18:00:00",""
"4061449","12.13","0.002","18.709","0.003","20.621","0.003","90","","90.93","0.05","90","","4679.1","1.3","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 B Cu F4 N4 O2 P2 Pd2 -","- C46 H50 B Cu F4 N4 O2 P2 Pd2 -","- C184 H200 B4 Cu4 F16 N16 O8 P8 Pd8 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals: A Versatile, Ambivalent Behavior","Organometallics","2005","24","13","3149","3157","10.1021/om050156d","","","","","","","","","","","","","","","","","","","","","has coordinates","219030","2020-10-21","18:00:00",""
"4061450","10.3951","0.0005","10.3951","0.0005","20.1372","0.0013","90","","90","","90","","2176","0.2","300","2","300","2","","","","","","","","5","P 4 n c","P 4 -2n","104","Ru2(ap)4(C6H)","","","- C50 H39 N8 O Ru2 -","- C50 H37 N8 O Ru2 -","- C100 H74 N16 O2 Ru4 -","2","0.25","","Ren, Tong","Iterative Synthesis of Oligoynes Capped by A Ru2-terminus","Organometallics","2005","","","","","10.1021/om050171i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061451","12.635","0.005","32.737","0.013","12.691","0.005","90","","116.605","0.004","90","","4693","3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","silabenzene_Crcomplex","","","- C38 H67 Cr O3 Si7 -","- C38 H67 Cr O3 Si7 -","- C152 H268 Cr4 O12 Si28 -","4","1","","Akihiro Shinohara; Nobuhiro Takeda; Takahiro Sasamori; Norihiro Tokitoh","Synthesis and Properties of h6-Silabenzene-M(CO)3 Complexes (M= Cr and Mo)","Organometallics","2005","","","","","10.1021/om0501778","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178511","2020-10-21","18:00:00",""
"4061452","9.51","0.003","12.53","0.004","14.021","0.005","82.479","0.006","85.019","0.006","72.137","0.006","1574.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H47 N3 O4 -","- C33 H47 N3 O4 -","- C66 H94 N6 O8 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0501780","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061453","32.017","0.003","11.4707","0.001","26.801","0.002","90","","119.704","0.002","90","","8549.6","1.2","117","1","117","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H61 K2 N3 O5 -","- C43 H61 K2 N3 O5 -","- C344 H488 K16 N24 O40 -","8","1","","","","Organometallics","2005","","","","","10.1021/om0501780","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061454","11.724","0.003","14.298","0.003","19.268","0.004","89.156","0.004","80.866","0.004","77.064","0.004","3107.3","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H67 N3 O2 P2 Ru -","- C72 H67 N3 O2 P2 Ru -","- C144 H134 N6 O4 P4 Ru2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0501780","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061455","13.3875","0.0011","29.217","0.002","14.001","0.0012","90","","97.765","0.003","90","","5426.2","0.8","117","1","117","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H70 N3 O2 P Ru -","- C61 H70 N3 O2 P Ru -","- C244 H280 N12 O8 P4 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0501780","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061456","14.9888","0.0014","16.3811","0.0015","13.3971","0.0012","101.828","0.002","112.436","0.002","105.383","0.002","2753","0.4","117","1","117","1","","","","","","","","7","P -1","-P 1","2","","","","- C61.5 H71 Cl N3 O2 P Ru -","- C61.5 H70 Cl N3 O2 P Ru -","- C123 H140 Cl2 N6 O4 P2 Ru2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0501780","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061457","21.067","0.006","11.926","0.004","19.209","0.006","90","","115.991","0.006","90","","4338","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 Cl K N3 Ni O5 -","- C43 H53 Cl K N3 Ni O5 -","- C172 H212 Cl4 K4 N12 Ni4 O20 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0501780","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061458","18.606","0.004","15.396","0.003","26.072","0.006","90","","106.239","0.004","90","","7170","3","117","1","117","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H91 Cl3 N6 Ni2 O10 -","- C67 H75 Cl3 N6 Ni2 O10 -","- C268 H300 Cl12 N24 Ni8 O40 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0501780","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061459","10.306","0.002","29.396","0.006","16.036","0.004","90","","100.884","0.004","90","","4770.7","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H64 N3 Ni O4 P -","- C42 H64 N3 Ni O4 P -","- C168 H256 N12 Ni4 O16 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0501780","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061460","11.88","0.003","19.005","0.004","17.779","0.004","90","","92.182","0.004","90","","4011.2","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H49 Cl N4 Si Ti -","- C41 H49 Cl N4 Si Ti -","- C164 H196 Cl4 N16 Si4 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050179s","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061461","9.1","0.002","18.062","0.005","18.337","0.004","90","","102.342","0.005","90","","2944.4","1.2","293","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl4 N3 Si Ti -","- C29 H27 Cl4 N3 Si Ti -","- C116 H108 Cl16 N12 Si4 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050179s","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061462","25.633","0.004","11.2928","0.0017","22.587","0.004","90","","99.119","0.003","90","","6455.5","1.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H41 N Si Ti -","- C38 H41 N Si Ti -","- C304 H328 N8 Si8 Ti8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050179s","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061463","12.3148","0.0018","17.191","0.003","22.176","0.004","90","","98.28","0.004","90","","4645.6","1.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Cl2 N6 Si Ti -","- C48 H54 Cl2 N6 Si Ti -","- C192 H216 Cl8 N24 Si4 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050179s","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061464","11.531","0.004","17.675","0.006","17.847","0.006","84.293","0.007","86.841","0.005","75.727","0.005","3506","1.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H72 N5 Na O3 Zr -","- C60 H72 N5 Na O3 Zr -","- C120 H144 N10 Na2 O6 Zr2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050179s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061465","10.6084","0.0003","13.1357","0.0004","15.0116","0.0005","93.125","0.002","105.887","0.002","100.942","0.002","1962.8","0.1","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H54 Cl F6 N2 O P3 Ru -","- C37 H54 Cl F6 N2 O P3 Ru -","- C74 H108 Cl2 F12 N4 O2 P6 Ru2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050182b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061466","9.2517","0.0003","10.7705","0.0003","15.3802","0.0004","73.489","0.002","73.682","0.002","64.955","0.001","1308.25","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H38 Cl2 N2 P2 Ru -","- C22 H38 Cl2 N2 P2 Ru -","- C44 H76 Cl4 N4 P4 Ru2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050182b","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061467","11.1033","0.0002","10.5715","0.0002","8.2212","0.0001","90","","90","","90","","964.99","0.03","133","1","133","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H12 Zr -","- C12 H12 Zr -","- C48 H48 Zr4 -","4","0.5","","Tamm, M.; Kunst, A.; Bannenberg, T.; Herdtweck, E.; Schmid, R.","Cycloheptatrienyl-Cyclopentadienlyl-Zirconium Sandwich Complexes: Structure and Bonding","Organometallics","2005","24","13","3163","3171","10.1021/om050192c","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061468","8.3304","0.0001","18.5959","0.0002","10.1241","0.0001","90","","90","","90","","1568.34","0.03","133","1","133","1","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C17 H21 N Zr -","- C17 H21 N Zr -","- C68 H84 N4 Zr4 -","4","0.5","","Tamm, M.; Kunst, A.; Bannenberg, T.; Herdtweck, E.; Schmid, R.","Cycloheptatrienyl-Cyclopentadienlyl-Zirconium Sandwich Complexes: Structure and Bonding","Organometallics","2005","24","13","3163","3171","10.1021/om050192c","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061469","9.7611","0.0008","13.0367","0.001","12.7297","0.001","90","","100.66","0.007","90","","1591.9","0.2","110","1","110","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Fe Si2 -","- C16 H22 Fe Si2 -","- C64 H88 Fe4 Si8 -","4","1","","Majchrzak, Mariusz; Marciniec, Bogdan; Kubicki, Maciej; Pawełczyk, Adam","Highly Selective Synthesis and Structural Characterization of Bis(silyl)-[3]-ferrocenophane Derivatives","Organometallics","2005","24","15","3731","3736","10.1021/om050194x","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061470","8.9732","0.0009","14.521","0.0011","22.7141","0.0016","90","","90","","90","","2959.6","0.4","293","1","293","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 Fe Si2 -","- C36 H30 Fe Si2 -","- C144 H120 Fe4 Si8 -","4","1","","Majchrzak, Mariusz; Marciniec, Bogdan; Kubicki, Maciej; Pawełczyk, Adam","Highly Selective Synthesis and Structural Characterization of Bis(silyl)-[3]-ferrocenophane Derivatives","Organometallics","2005","24","15","3731","3736","10.1021/om050194x","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061471","12.6791","0.0013","14.0536","0.0013","19.25","0.002","86.926","0.002","79.169","0.002","87.394","0.002","3361.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Ru(η^5^C~5~Me~5~)(H~2~){(Κ^2^-P,P')-^i^Pr~2~PNHCH~2~CH~2~NHP^i^Pr~2~}] [B{(C~6~H~3~(CF~3~)~2~}~4~].C~6~H~5~F","","","- C61 H63 B2 F25 N8 P2 Ru -","- C61 H63 B2 F25 N8 P2 Ru -","- C122 H126 B4 F50 N16 P4 Ru2 -","2","1","","Manuel Jiménez-Tenorio; M. Dolores Palacios Tejero; M.Carmen Puerta; Pedro Valerga","","Organometallics","2005","","","","","10.1021/om050199u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061472","19.0967","0.0015","18.5933","0.0015","18.3316","0.0015","90","","108.191","0.002","90","","6183.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ru(η^5^C~5~Me~5~)(N~2~){(Κ^2^-P,P')-^i^Pr~2~PNHCH~2~CH~2~NHP^i^Pr~2~}] [B{(C~6~H~3~(CF~3~)~2~}~4~]","","","- C55 H56 B2 F24 N10 P2 Ru -","- C55 H56 B2 F24 N10 P2 Ru -","- C220 H224 B8 F96 N40 P8 Ru4 -","4","1","","Manuel Jiménez-Tenorio; M. Dolores Palacios Tejero; M.Carmen Puerta; Pedro Valerga","","Organometallics","2005","","","","","10.1021/om050199u","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061473","10.1593","0.0018","10.5154","0.0019","12.654","0.002","81.386","0.004","70.138","0.004","76.824","0.004","1234.1","0.4","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H64 F12 Ni O2 P2 Ru2 S6 -","- C38 H64 F12 Ni O2 P2 Ru2 S6 -","- C38 H64 F12 Ni O2 P2 Ru2 S6 -","1","0.5","","Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.","Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}","Organometallics","2005","24","17","4265","4273","10.1021/om050200p","","","","","","","","","","","","","","","","","","","","","has coordinates","133725","2020-10-21","18:00:00",""
"4061474","40.8312","0.0014","12.0357","0.0004","18.0096","0.0006","90","","92.005","0.001","90","","8845.1","0.5","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 F12 Ni O P2 Ru2 S6 -","- C31 H52 F12 Ni O P2 Ru2 S6 -","- C248 H416 F96 Ni8 O8 P16 Ru16 S48 -","8","2","","Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.","Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}","Organometallics","2005","24","17","4265","4273","10.1021/om050200p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178511","2020-10-21","18:00:00",""
"4061475","12.019","0.003","12.32","0.003","12.471","0.003","62.461","0.004","63.603","0.005","77.387","0.005","1466.6","0.6","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H29 Cu F12 N2 P2 Ru S3 -","- C18 H29 Cu F12 N2 P2 Ru S3 -","- C36 H58 Cu2 F24 N4 P4 Ru2 S6 -","2","1","","Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.","Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}","Organometallics","2005","24","17","4265","4273","10.1021/om050200p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133725","2020-10-21","18:00:00",""
"4061476","12.2374","0.0005","17.5939","0.0007","22.0809","0.0009","71.783","0.001","74.961","0.001","72.241","0.001","4229.3","0.3","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C28.25 H48 Cu F12 O0.5 P2 Ru2 S6 -","- C28.25 H47 Cu F12 O0.5 P2 Ru2 S6 -","- C113 H188 Cu4 F48 O2 P8 Ru8 S24 -","4","2","","Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.","Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}","Organometallics","2005","24","17","4265","4273","10.1021/om050200p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061477","12.5958","0.0008","14.3941","0.0009","16.0703","0.001","64.515","0.001","70.111","0.001","86.317","0.001","2461.6","0.3","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H62 Cu F12 N O P2 Ru2 S6 -","- C36 H62 Cu F12 N O P2 Ru2 S6 -","- C72 H124 Cu2 F24 N2 O2 P4 Ru4 S12 -","2","1","","Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.","Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}","Organometallics","2005","24","17","4265","4273","10.1021/om050200p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133725","2020-10-21","18:00:00",""
"4061478","10.3334","0.0002","24.8889","0.0005","16.5983","0.0004","90","","92.251","0.001","90","","4265.57","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 B2 Cl2 O4 Ti -","- C44 H60 B2 Cl2 O4 Ti -","- C176 H240 B8 Cl8 O16 Ti4 -","4","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061479","10.303","0.0001","25.2472","0.0003","16.7087","0.0002","90","","91.582","0.001","90","","4344.64","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 B2 Cl2 Hf O4 -","- C44 H60 B2 Cl2 Hf O4 -","- C176 H240 B8 Cl8 Hf4 O16 -","4","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061480","14.075","0.0003","15.3388","0.0003","16.1859","0.0004","99.632","0.001","115.774","0.001","94.824","0.001","3053.63","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[{Zr(OH)(OBMes2)3}2].4(pentane)","","","- C128 H182 B6 O8 Zr2 -","- C128 H182 B6 O8 Zr2 -","- C128 H182 B6 O8 Zr2 -","1","0.5","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates","133705","2020-10-21","18:00:00",""
"4061481","14.9688","0.0007","19.8758","0.0011","17.3339","0.001","90","","90","","90","","5157.1","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H35 B Cl2 O Ti -","- C27 H35 B Cl2 O Ti -","- C216 H280 B8 Cl16 O8 Ti8 -","8","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061482","8.2133","0.0003","24.4108","0.0009","12.7151","0.0006","90","","92.471","0.002","90","","2546.92","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B Cl O Ti -","- C28 H32 B Cl O Ti -","- C112 H128 B4 Cl4 O4 Ti4 -","4","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4061483","14.0992","0.0007","14.595","0.0007","17.1898","0.0009","93.847","0.002","95.609","0.002","118.391","0.002","3070.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[B(CH2Ph){OB(mes)2}3].pentane","","","- C66 H85 B3 O3 Ti -","- C66 H85 B3 O3 Ti -","- C132 H170 B6 O6 Ti2 -","2","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061484","12.2043","0.0004","15.7658","0.0004","16.3282","0.0006","105.18","0.002","94.64","0.002","104.603","0.002","2897.62","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.5 H79 B3 Hf O3 -","- C63.5 H73 B3 Hf O3 -","- C127 H146 B6 Hf2 O6 -","2","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061485","23.147","0.002","14.8478","0.0007","21.429","0.002","90","","119.35","0.003","90","","6419.4","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H88 B4 Hf O4 -","- C72 H88 B4 Hf O4 -","- C288 H352 B16 Hf4 O16 -","4","0.5","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061486","11.512","0.003","15.153","0.004","27.063","0.006","90","","93.156","0.006","90","","4714.1","1.9","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 Cl3 Fe P2 Ru -","- C49 H39 Cl3 Fe P2 Ru -","- C196 H156 Cl12 Fe4 P8 Ru4 -","4","1","","Victorio Cadierno; Josefina Díez; Sergi E. García-Ǵarrido; José Gimeno","Efficient One-Pot Synthesis of a,ß-Unsaturated Carbyne Complexes fac-[RuX3{=CC(H)=CR2}(dppf)] (X = Cl, Br; R = Aryl, Alkyl; dppf = 1,1´-Bis(diphenylphosphino)ferrocene)","Organometallics","2005","","","","","10.1021/om050204u","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061487","16.6808","0.0001","13.6309","0.0001","18.8276","0.0001","90","","98.265","0.001","90","","4236.45","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 Cl5 Fe P2 Ru -","- C45 H47 Cl5 Fe P2 Ru -","- C180 H188 Cl20 Fe4 P8 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050204u","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061488","15.848","0.0016","16.1466","0.0017","22.643","0.002","90","","98.751","0.002","90","","5726.7","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 Cr F20 Mg O8 -","- C56 H64 Cr F20 Mg O8 -","- C224 H256 Cr4 F80 Mg4 O32 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050206e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178511","2020-10-21","18:00:00",""
"4061489","13.2118","0.0013","13.2841","0.0014","14.4991","0.0014","111.854","0.002","108.778","0.002","92.75","0.002","2195","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 F20 Mg0.5 Mn O6 -","- C42 H36 F20 Mg0.5 Mn O6 -","- C84 H72 F40 Mg Mn2 O12 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050206e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061490","19.2407","0.0002","18.5432","0.0002","18.649","0.0002","90","","115.655","0.0005","90","","5997.74","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H54 N3 Sc Si3 -","- C21 H54 N3 Sc Si3 -","- C168 H432 N24 Sc8 Si24 -","8","2","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061491","12.4871","0.0002","16.0885","0.0002","24.0879","0.0003","90","","101.265","0.0004","90","","4745.99","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H71 N6 Sc Si3 -","- C42 H71 N6 Sc Si3 -","- C168 H284 N24 Sc4 Si12 -","4","1","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061492","11.0526","0.0002","11.6252","0.0002","17.135","0.0003","81.8126","0.0009","85.5181","0.0008","71.3772","0.0007","2063.86","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H55 N6 Si3 Y -","- C28 H55 N6 Si3 Y -","- C56 H110 N12 Si6 Y2 -","2","1","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4061493","14.7505","0.0006","14.7505","0.0006","15.417","0.0004","90","","90","","120","","2905","0.2","150","","150","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C64 H73 N6 O3 Sc -","- C64 H73 N6 O3 Sc -","- C128 H146 N12 O6 Sc2 -","2","0.333333","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates","133797","2020-10-21","18:00:00",""
"4061494","10.0211","0.0001","30.7707","0.0003","16.9809","0.0002","90","","95.1016","0.0003","90","","5215.42","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Cl5 N6 Si Y -","- C17 H26 Cl5 N6 Si Y -","- C136 H208 Cl40 N48 Si8 Y8 -","8","2","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061495","7.5676","0.0002","12.1539","0.0004","7.878","0.0002","90","","118.515","0.0014","90","","636.69","0.03","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H15 Cl3 N3 Sc -","- C6 H15 Cl3 N3 Sc -","- C12 H30 Cl6 N6 Sc2 -","2","0.5","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061496","13.3324","0.0005","14.1401","0.0007","21.4","0.001","90","","90.67","0.003","90","","4034","0.9","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 N3 O3 Sc -","- C43 H60 N3 O3 Sc -","- C172 H240 N12 O12 Sc4 -","4","1","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","0.0658","","","0.0636","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4061497","10.681","0.0001","28.0254","0.0003","13.0304","0.0001","90","","100.232","0.001","90","","3838.48","0.06","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H42 B N6 P Pd -","- C43 H42 B N6 P Pd -","- C172 H168 B4 N24 P4 Pd4 -","4","1","","J. Campora; P. Palma; D. del Rio; J. A. Lopez; N. Connelly; E. Alvarez","Redox Behavior of an Organometallic Pd(III)/Pd(IV) System. A New Method for the Synthesis of Cationic Pd(IV) Complexes.","Organometallics","2005","","","","","10.1021/om050216f","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061498","6.261","0.002","7.694","0.002","8.027","0.003","68.77","0.03","104.97","0.03","106.07","0.03","340.91","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 I2 N2 O2 Pd -","- C8 H10 I2 N2 O2 Pd -","- C8 H10 I2 N2 O2 Pd -","1","0.5","","Tubaro, Cristina; Biffis, Andrea; Basato, Marino; Benetollo, Franco; Cavell, Kingsley J.; Ooi, Li-ling","A Simple Route to Novel Palladium(II) Catalysts with Oxazolin-2-ylidene Ligands","Organometallics","2005","24","17","4153","4158","10.1021/om050222b","","","","","","","","","","","","","","","","","","","","","has coordinates","219016","2020-10-21","18:00:00",""
"4061499","11.825","0.0002","13.276","0.0002","13.305","0.0002","78.086","0.001","73.935","0.001","85.033","0.001","1962.97","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H18 Br2 N2 O3 Pd S -","- C16 H18 Br2 N2 O3 Pd S -","- C64 H72 Br8 N8 O12 Pd4 S4 -","4","2","","Tubaro, Cristina; Biffis, Andrea; Basato, Marino; Benetollo, Franco; Cavell, Kingsley J.; Ooi, Li-ling","A Simple Route to Novel Palladium(II) Catalysts with Oxazolin-2-ylidene Ligands","Organometallics","2005","24","17","4153","4158","10.1021/om050222b","","","","","","","","","","","","","","","","","","","","","has coordinates","219016","2020-10-21","18:00:00",""
"4061500","23.6789","0.0017","4.8423","0.0004","19.47","0.0014","90","","117.932","0.003","90","","1972.4","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Br2 N6 -","- C19 H20 Br2 N6 -","- C76 H80 Br8 N24 -","4","0.5","","Lee, Hon Man; Chiu, Ping Ling","","Organometallics","2005","","","","","10.1021/om050224w","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061501","20.0487","0.0005","13.1997","0.0003","16.4588","0.0004","90","","90.203","0.001","90","","4355.58","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Br2 N6 O Pd -","- C19 H20 Br2 N6 O Pd -","- C152 H160 Br16 N48 O8 Pd8 -","8","1","","Lee, Hon Man; Chiu, Ping Ling","","Organometallics","2005","","","","","10.1021/om050224w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178512","2020-10-21","18:00:00",""
"4061502","24.0943","0.0009","11.2364","0.0005","15.5936","0.0006","90","","96.875","0.002","90","","4191.3","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C152 H152 Br16 N48 Ni8 O4 -","- C152 H152 Br16 N48 Ni8 O4 -","- C152 H152 Br16 N48 Ni8 O4 -","1","0.125","","Lee, Hon Man; Chiu, Ping Ling","","Organometallics","2005","","","","","10.1021/om050224w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178512","2020-10-21","18:00:00",""
"4061503","8.4644","0.0007","20.9138","0.0016","13.8292","0.0008","90","","95.217","0.003","90","","2437.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 F12 N6 P2 Pd -","- C19 H18 F12 N6 P2 Pd -","- C76 H72 F48 N24 P8 Pd4 -","4","1","","Lee, Hon Man; Chiu, Ping Ling","","Organometallics","2005","","","","","10.1021/om050224w","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061504","9.4557","0.0018","15.478","0.003","29.805","0.006","90","","95.351","0.003","90","","4343.1","1.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H53 B Cl2 N2 P Rh -","- C51 H53 B Cl2 N2 P Rh -","- C204 H212 B4 Cl8 N8 P4 Rh4 -","4","1","","Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter","Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes Containing a Phosphine‒N-Heterocyclic Carbene Ligand","Organometallics","2005","24","17","4241","4250","10.1021/om050235p","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061505","9.456","0.002","15.486","0.003","29.798","0.006","90","","95.295","0.004","90","","4344.7","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H53 B Cl2 Ir N2 P -","- C51 H53 B Cl2 Ir N2 P -","- C204 H212 B4 Cl8 Ir4 N8 P4 -","4","1","","Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter","Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes Containing a Phosphine‒N-Heterocyclic Carbene Ligand","Organometallics","2005","24","17","4241","4250","10.1021/om050235p","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061506","16.559","0.003","14.696","0.003","17.164","0.003","90","","99.314","0.003","90","","4121.9","1.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H51 B Ir N2 O P -","- C51 H51 B Ir N2 O P -","- C204 H204 B4 Ir4 N8 O4 P4 -","4","1","","Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter","Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes Containing a Phosphine‒N-Heterocyclic Carbene Ligand","Organometallics","2005","24","17","4241","4250","10.1021/om050235p","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061507","9.2413","0.0005","14.741","0.0008","15.1499","0.0008","90","","90","","90","","2063.81","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-(-)-2-(2-diphenylarsino)phenyl)-4-(isopropyl)oxazolin","","","- C24 H24 As N O -","- C24 H24 As N O -","- C96 H96 As4 N4 O4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050237+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061508","10.125","0.0008","12.9507","0.0011","10.6275","0.0009","90","","112.38","0.002","90","","1288.58","0.19","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","Dichloro[(S)-2-(2-(diphenylarsino)phenyl)-4-(isopropyl)ox","","","- C24 H24 As Cl2 N O Pt -","- C24 H24 As Cl2 N O Pt -","- C48 H48 As2 Cl4 N2 O2 Pt2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050237+","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061509","27.571","0.001","18.5892","0.0007","12.102","0.0005","90","","90","","90","","6202.6","0.4","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C62 H52 F6 N2 P3 Rh -","- C62 H50 F6 N2 P3 Rh -","- C248 H200 F24 N8 P12 Rh4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050240t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061510","11.8621","0.0003","18.2176","0.0004","20.7937","0.0005","90","","98.532","0.001","90","","4443.77","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 B F20 N2 O Pt -","- C46 H28 B F20 N2 O Pt -","- C184 H112 B4 F80 N8 O4 Pt4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050251m","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061511","15.642","0.002","13.64","0.001","14.79","0.001","90","","112.799","0.001","90","","2908.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl2 N2 O6 P2 Rh2 -","- C24 H32 Cl2 N2 O6 P2 Rh2 -","- C96 H128 Cl8 N8 O24 P8 Rh8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0502537","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061512","13.774","0.002","11.105","0.001","32.79","0.004","90","","96.607","0.002","90","","4982.3","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H64 Cl N4 O9 P4 Rh -","- C45 H64 Cl N4 O9 P4 Rh -","- C180 H256 Cl4 N16 O36 P16 Rh4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0502537","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061513","31.048","0.004","9.9074","0.0012","12.6181","0.0015","90","","91.957","0.003","90","","3879.1","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 O2 Si4 -","- C38 H52 O2 Si4 -","- C152 H208 O8 Si16 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050265s","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061514","7.1771","0.0006","17.7623","0.0016","17.1867","0.0013","90","","96.152","0.005","90","","2178.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 O2 Si4 Sn2 -","- C36 H52 O2 Si4 Sn2 -","- C72 H104 O4 Si8 Sn4 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om050265s","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061515","16.9713","0.0007","15.6743","0.0006","14.2523","0.0006","90","","105.555","0.001","90","","3652.4","0.3","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C60 H88 O20 P4 Sn6 -","- C60 H88 O20 P4 Sn6 -","- C120 H176 O40 P8 Sn12 -","2","0.25","","","","Organometallics","2005","","","","","10.1021/om050269x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178512","2020-10-21","18:00:00",""
"4061516","13.5","0.005","15.974","0.005","20.487","0.007","109.129","0.007","90.972","0.008","97.352","0.007","4132","2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C63.5 H86 Cl6 O20 P4 Sn6 -","- C63.5 H86 Cl6 O20 P4 Sn6 -","- C127 H172 Cl12 O40 P8 Sn12 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050269x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061517","13.5706","0.0007","16.0101","0.0008","20.7547","0.0011","109.512","0.001","91.172","0.001","97.496","0.001","4204.1","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C63.5 H86 Br6 O20 P4 Sn6 -","- C63.5 H86 Br6 O20 P4 Sn6 -","- C127 H172 Br12 O40 P8 Sn12 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050269x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061518","13.3902","0.0007","14.2179","0.0008","16.9005","0.001","81.364","0.001","69.981","0.001","62.312","0.001","2676.8","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36.5 H47 Cl I4 O11 P2 Sn3 -","- C36.5 H47 Cl I4 O11 P2 Sn3 -","- C73 H94 Cl2 I8 O22 P4 Sn6 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050269x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061519","10.676","0.002","17.232","0.003","20.341","0.004","65.5","0.03","87.08","0.03","72.11","0.03","3227.9","1","253","2","253","2","","","","","","","","9","P -1","-P 1","2","","","","- C54 H53 Cl6 F3 N5 O6 Pt Re S -","- C54 H47 Cl6 F3 N5 O6 Pt Re S -","- C108 H94 Cl12 F6 N10 O12 Pt2 Re2 S2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0502887","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061520","15.738","0.003","14.944","0.003","28.052","0.006","90","","102.89","0.03","90","","6431","2","253","2","253","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 F3 N8 O8 Pt Re S -","- C57 H45 F3 N8 O8 Pt Re S -","- C228 H180 F12 N32 O32 Pt4 Re4 S4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0502887","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178512","2020-10-21","18:00:00",""
"4061521","9.6859","0.0006","17.4683","0.0011","16.4231","0.001","90","","103.43","0.001","90","","2702.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H43 B10 Hf N Si2 -","- C14 H43 B10 Hf N Si2 -","- C56 H172 B40 Hf4 N4 Si8 -","4","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061523","8.107","0.0004","9.089","0.0005","12.624","0.0008","69.858","0.003","70.465","0.003","62.466","0.003","757.05","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H42 Al2 O12 -","- C22 H42 Al2 O12 -","- C22 H42 Al2 O12 -","1","0.5","","Lewiński, Janusz; Pawel Horeglad; Iwona Justyniak","Structure Characterization of Intermediate Formed by Primary Insertion of Lactid into the Al-OR bond of Organometallic Initiator","Organometallics","2005","","","","","10.1021/om050295v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061524","21.195","0.006","17.434","0.005","17.801","0.005","90","","119.76","0.02","90","","5710.19","","","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H88 Li N3 O4 Si2 Zr -","- C54 H88 Li N3 O4 Si2 Zr -","- C216 H352 Li4 N12 O16 Si8 Zr4 -","4","0.5","","Zhongzhi Wu; J.B.Diminnie; Ziling Xue","","Organometallics","2005","","","","","10.1021/om050302f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061525","21.139","0.004","17.466","0.003","17.762","0.003","90","","119.699","0.003","90","","5696.8","1.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Hf amide","","","- C54 H88 Hf Li N3 O4 Si2 -","- C27 H44 Hf0.5 Li0.5 N1.5 O2 Si -","- C216 H352 Hf4 Li4 N12 O16 Si8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050302f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061526","13.077","0.003","24.797","0.005","41.823","0.008","101.06","0.03","92","0.03","101.05","0.03","13028","5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H210 K2 N6 O18 Si12 Zr2 -","- C90 H197.5 K2 N6 O18 Si12 Zr2 -","- C360 H790 K8 N24 O72 Si48 Zr8 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050302f","","","","","","","","","","","","","","","","","","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4061527","13.114","0.007","24.704","0.014","41.71","0.02","100.87","0.009","91.881","0.009","101.425","0.01","12974","12","173","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H210 Hf2 K2 N6 O18 Si12 -","- C90 H210 Hf2 K2 N6 O18 Si12 -","- C360 H840 Hf8 K8 N24 O72 Si48 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050302f","","","","","","","","","","","","","","","","","","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4061528","12.029","0.003","10.442","0.002","15.187","0.003","90","","105.7","0.03","90","","1836.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cr Fe O3 -","- C22 H16 Cr Fe O3 -","- C88 H64 Cr4 Fe4 O12 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050307c","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061529","11.005","0.003","7.315","0.002","11.76","0.003","90","","94.92","0.03","90","","943.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H16 Cr Fe O3 -","- C22 H16 Cr Fe O3 -","- C44 H32 Cr2 Fe2 O6 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050307c","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061530","16.2291","0.0009","23.2249","0.0013","24.2098","0.0014","90","","102.364","0.001","90","","8913.5","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H76 Au2 Ge2 I2 N4 P4 Si4 -","- C62 H76 Au2 Ge2 I2 N4 P4 Si4 -","- C248 H304 Au8 Ge8 I8 N16 P16 Si16 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0503085","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061531","16.056","0.003","22.997","0.005","24.38","0.005","90.7","0.03","105.85","0.03","91.27","0.03","8656","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H76 Ag2 Cl2 Ge2 N4 P4 Si4 -","- C62 H76 Ag2 Cl2 Ge2 N4 P4 Si4 -","- C248 H304 Ag8 Cl8 Ge8 N16 P16 Si16 -","4","2","","","","Organometallics","2005","","","","","10.1021/om0503085","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061532","13.317","0.003","14.373","0.003","17.117","0.003","68.11","0.03","68.23","0.03","72.63","0.03","2774","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H106 Ge2 N4 P6 Pd2 Si4 -","- C98 H106 Ge2 N4 P6 Pd2 Si4 -","- C98 H106 Ge2 N4 P6 Pd2 Si4 -","1","0.5","","","","Organometallics","2005","","","","","10.1021/om0503085","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061533","23.502","0.005","19.525","0.004","13.015","0.003","90","","115.1","0.03","90","","5408.4","1.9","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C98 H106 Ge2 N4 Ni P6 Si4 -","- C98 H106 Ge2 N4 Ni P6 Si4 -","- C196 H212 Ge4 N8 Ni2 P12 Si8 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om0503085","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061534","14.0919","0.0005","7.7544","0.0003","13.6632","0.0006","90","","112.552","0.002","90","","1378.87","0.09","180","1","180","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H23 O2 Y -","- C13 H23 O2 Y -","- C52 H92 O8 Y4 -","4","0.5","","Sanchez-Barba, L. F.; Hughes, D. L.; Humphrey, S. M.; Bochmann, M.","New bis(allyl)(diketiminato) and tris(allyl) lanthanide complexes and their reactivity in the polymerization of polar monomers","Organometallics","2005","24","15","3792","3799","10.1021/om050309x","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061535","14.1965","0.0003","7.8233","0.0002","13.6478","0.0004","90","","111.553","0.001","90","","1409.79","0.06","180","1","180","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H23 O2 Sm -","- C13 H23 O2 Sm -","- C52 H92 O8 Sm4 -","4","0.5","","Sanchez-Barba, L. F.; Hughes, D. L.; Humphrey, S. M.; Bochmann, M.","New bis(allyl)(diketiminato) and tris(allyl) lanthanide complexes and their reactivity in the polymerization of polar monomers","Organometallics","2005","24","15","3792","3799","10.1021/om050309x","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061536","10.9089","0.0003","12.3956","0.0003","13.9731","0.0004","65.071","0.0018","78.7228","0.0014","73.3055","0.0012","1635.17","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H51 N2 Sm -","- C35 H51 N2 Sm -","- C70 H102 N4 Sm2 -","2","1","","Sanchez-Barba, L. F.; Hughes, D. L.; Humphrey, S. M.; Bochmann, M.","New bis(allyl)(diketiminato) and tris(allyl) lanthanide complexes and their reactivity in the polymerization of polar monomers","Organometallics","2005","24","15","3792","3799","10.1021/om050309x","","","","","","","","","","","","","","","","","","","","","has coordinates","133694","2020-10-21","18:00:00",""
"4061537","9.5608","0.0011","10.511","0.0012","20.781","0.002","97.467","0.003","91.462","0.003","115.175","0.002","1866.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H50 B10 N2 Ti -","- C34 H50 B10 N2 Ti -","- C68 H100 B20 N4 Ti2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050312g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061538","14.71","0.003","10.463","0.002","17.836","0.004","90","","94.98","0.03","90","","2734.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 B10 N2 Ti -","- C23 H36 B10 N2 Ti -","- C92 H144 B40 N8 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050312g","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061539","7.3799","0.0004","15.5443","0.0009","10.0696","0.0006","90","","102.281","0.001","90","","1128.7","0.11","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H29 B10 Cl O Si Ti -","- C13 H29 B10 Cl O Si Ti -","- C26 H58 B20 Cl2 O2 Si2 Ti2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050312g","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061540","13.1715","0.0008","14.5913","0.0009","13.973","0.0008","90","","105.393","0.001","90","","2589.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 B10 N Ti -","- C22 H35 B10 N Ti -","- C88 H140 B40 N4 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050312g","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061541","15.7763","0.0002","9.9339","0.0001","17.0127","0.0003","90","","95.979","0.0006","90","","2651.73","0.06","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 O2 Zn -","- C29 H32 O2 Zn -","- C116 H128 O8 Zn4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050315t","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061542","12.5318","0.0003","19.7643","0.0008","20.0664","0.0008","90","","96.235","0.002","90","","4940.7","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H76 O4 Zn2 -","- C53 H76 O4 Zn2 -","- C212 H304 O16 Zn8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050315t","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061543","18.55","0.016","11.817","0.01","17.874","0.016","90","","114.291","0.015","90","","3571","5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H47 N7 O13 Pt2 S -","- C22 H43 N7 O13 Pt2 S -","- C88 H172 N28 O52 Pt8 S4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050316l","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061544","9.6633","0.0013","10.1921","0.0014","31.498","0.004","90","","96.791","0.003","90","","3080.4","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H41 N9 O14 Pt2 -","- C16 H39 N9 O14 Pt2 -","- C64 H156 N36 O56 Pt8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050316l","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061545","9.782","0.004","10.042","0.005","14.711","0.007","89.424","0.008","88.328","0.009","83.705","0.008","1435.6","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H39 N9 O12 Pt2 -","- C16 H37 N9 O12 Pt2 -","- C32 H74 N18 O24 Pt4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050316l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061546","14.109","0.0009","42.263","0.003","12.823","0.0009","90","","90","","90","","7646.2","0.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H25.5 S3 U0.75 -","- C18 H25.5 S3 U0.75 -","- C288 H408 S48 U12 -","16","2","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061547","10.4409","0.0008","14.6021","0.0011","17.9446","0.0016","85.219","0.003","84.274","0.005","80.661","0.006","2679.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H82 Na O9 S4 U -","- C48 H82 Na O9 S4 U -","- C96 H164 Na2 O18 S8 U2 -","2","1","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","133625","2020-10-21","18:00:00",""
"4061548","13.8911","0.0017","16.0128","0.0014","16.037","0.002","90","","98.48","0.015","90","","3528.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H100 Ce2 K2 O4 S8 -","- C64 H100 Ce2 K2 O4 S8 -","- C128 H200 Ce4 K4 O8 S16 -","2","0.5","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061549","13.8713","0.0019","15.9521","0.0015","16.005","0.002","90","","98.245","0.016","90","","3504.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H100 K2 Nd2 O4 S8 -","- C64 H100 K2 Nd2 O4 S8 -","- C128 H200 K4 Nd4 O8 S16 -","2","0.5","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061550","19.6644","0.0014","16.4421","0.0011","16.6911","0.0007","90","","113.32","0.004","90","","4955.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H74 Ce K O10 S4 -","- C44 H54 Ce K O10 S4 -","- C176 H216 Ce4 K4 O40 S16 -","4","1","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061551","16.0585","0.0008","16.3685","0.0004","22.3656","0.001","74.497","0.003","74.89","0.002","81.053","0.003","5445.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H80 Ce K O10 S4 -","- C46.5 H80 Ce K O10 S4 -","- C186 H320 Ce4 K4 O40 S16 -","4","2","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4061552","16.0122","0.0007","16.3506","0.0013","22.3555","0.0017","74.262","0.003","75.035","0.004","80.836","0.005","5417.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H80 K Nd O10 S4 -","- C46.5 H80 K Nd O10 S4 -","- C186 H320 K4 Nd4 O40 S16 -","4","2","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061554","28.598","0.005","28.598","0.005","32.224","0.01","90","","90","","120","","22823","9","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C64.5 H42 Cl3 Fe6 O18 P3 S3 -","- C64.5 H42 Cl3 Fe6 O18 P3 S3 -","- C774 H504 Cl36 Fe72 O216 P36 S36 -","12","0.333333","","","","Organometallics","2005","","","","","10.1021/om050333a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061555","14.9871","0.0019","16.828","0.002","20.682","0.004","99.362","0.003","104.027","0.003","110.708","0.002","4552.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H48 Fe12 O36 S6 -","- C72 H48 Fe12 O36 S6 -","- C144 H96 Fe24 O72 S12 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050333a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061557","10.406","0.002","15.428","0.003","19.548","0.004","90","","90","","90","","3138","1","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 B F4 N2 O P Pd -","- C33 H34 B F4 N2 O P Pd -","- C132 H136 B4 F16 N8 O4 P4 Pd4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050341r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061558","19.965","0.004","16.184","0.003","11.299","0.002","90","","90","","90","","3650.9","1.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H60 Fe P6 -","- C32 H60 Fe P6 -","- C128 H240 Fe4 P24 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om0503489","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061559","9.61","0.0019","12.153","0.002","14.98","0.003","84.85","0.03","74.47","0.03","84.9","0.03","1675","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H44 Cl2 F6 P4 Ru -","- C26 H44 Cl2 F6 P4 Ru -","- C52 H88 Cl4 F12 P8 Ru2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0503489","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061560","17.555","0.002","17.555","0.002","17.555","0.002","90","","90","","90","","5410.1","1.1","150","2","150","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C26 H45 P3 Ru -","- C25.9 H27 P3 Ru -","- C207.2 H216 P24 Ru8 -","8","0.333333","","","","Organometallics","2005","","","","","10.1021/om0503489","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061561","17.89","0.004","10.162","0.002","14.624","0.003","90","","90","","90","","2658.6","0.9","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H43 P3 Ru -","- C25 H43 P3 Ru -","- C100 H172 P12 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0503489","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061562","24.974","0.005","18.245","0.004","25.181","0.005","90","","90","","90","","11474","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H51 B F24 P3 Rh -","- C55 H51 B F24 P3 Rh -","- C440 H408 B8 F192 P24 Rh8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om0503489","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061563","14.96","0.003","17.488","0.004","25.741","0.005","90","","91.23","0.03","90","","6733","2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H55 B Cl2 F24 O P3 Rh -","- C56 H55 B Cl2 F24 O P3 Rh -","- C224 H220 B4 Cl8 F96 O4 P12 Rh4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0503489","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178512","2020-10-21","18:00:00",""
"4061564","12.786","0.003","26.238","0.005","17.885","0.004","90","","90.3","0.03","90","","6000","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H57 B F24 O P3 Rh -","- C57 H57 B F24 O P3 Rh -","- C228 H228 B4 F96 O4 P12 Rh4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0503489","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178512","2020-10-21","18:00:00",""
"4061565","9.6545","0.0015","17.835","0.002","41.225","0.005","90","","94.091","0.009","90","","7080.5","1.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H72 B F20 N O2 P2 Pd -","- C68 H72 B F20 N O3 P2 Pd -","- C272 H288 B4 F80 N4 O12 P8 Pd4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050356p","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061566","13.755","0.002","13.842","0.002","17.7871","0.0019","81.78","0.013","86.525","0.017","79.28","0.011","3291.1","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H69 B F20 O2 P2 Pd -","- C64.41 H69 B F20 O2 P2 Pd -","- C128.82 H138 B2 F40 O4 P4 Pd2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050356p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061567","12.4013","0.0014","13.4507","0.0015","30.278","0.003","90","","91.948","0.009","90","","5047.7","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H47 B F20 N P2 Pd -","- C47 H42 B F20 N P2 Pd -","- C188 H168 B4 F80 N4 P8 Pd4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050356p","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061568","28.034","0.005","19.327","0.003","10.7343","0.0019","90","","90","","90","","5816","1.7","123","2","123","2","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C60 H108 Si4 -","- C60 H108 Si4 -","- C240 H432 Si16 -","4","0.5","","Tsutsui, Shinobu; Kwon, Eunsang; Tanaka, Hiromasa; Matsumoto, Shigeki; Sakamoto, Kenkichi","","Organometallics","2005","","","","","10.1021/om050362l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061569","57.045","0.01","10.814","0.002","28.405","0.005","90","","90","","90","","17523","5","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C60 H108 O2 Si4 -","- C60 H108 O2 Si4 -","- C720 H1296 O24 Si48 -","12","1.5","","","","Organometallics","2005","","","","","10.1021/om050362l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061570","21.118","0.005","13.125","0.003","17.174","0.004","90","","121.528","0.003","90","","4057.5","1.7","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H72 Si4 -","- C38 H72 Si4 -","- C152 H288 Si16 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050362l","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061571","8.2848","0.0007","8.2848","0.0007","39.289","0.003","90","","90","","90","","2696.8","0.4","180","2","180","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C30 H34 P2 S2 -","- C30 H34 P2 S2 -","- C120 H136 P8 S8 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061572","7.5069","0.0007","8.4348","0.0008","11.3734","0.001","78.136","0.007","83.429","0.007","82.062","0.008","695.26","0.11","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H34 P2 S2 -","- C30 H34 P2 S2 -","- C30 H34 P2 S2 -","1","1","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061573","9.3019","0.0006","9.3019","0.0006","31.65","0.003","90","","90","","90","","2738.6","0.4","180","2","180","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C30 H34 P2 S2 -","- C30 H34 P2 S2 -","- C120 H136 P8 S8 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061574","8.971","0.0016","14.164","0.002","11.563","0.002","90","","93.02","0.02","90","","1467.3","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H34 O2 P2 S2 -","- C31 H34 O2 P2 S2 -","- C62 H68 O4 P4 S4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061575","10.9358","0.0009","12.2064","0.0011","24.537","0.002","93.484","0.011","100.258","0.011","112.899","0.009","2938.2","0.5","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C124 H136 O8 P8 S8 -","- C124 H136 O8 P8 S8 -","- C124 H136 O8 P8 S8 -","1","1","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061576","9.1281","0.0009","12.5047","0.001","24.788","0.002","90","","90","","90","","2829.5","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Cl2 P2 Pt -","- C30 H34 Cl2 P2 Pt -","- C120 H136 Cl8 P8 Pt4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061577","8.937","0.002","10.911","0.002","15.546","0.004","82.55","0.03","73.47","0.03","67.38","0.03","1341.1","0.6","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H32 P2 S2 -","- C29 H32 P2 S2 -","- C58 H64 P4 S4 -","2","2","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061578","10.3055","0.001","13.7375","0.0014","6.7946","0.0007","90","","90","","90","","961.92","0.17","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H32 Fe N2 -","- C22 H32 Fe N2 -","- C44 H64 Fe2 N4 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om050367i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061579","5.5341","0.0001","13.6738","0.0005","19.0172","0.0006","110.802","0.0011","95.0122","0.0018","90.6428","0.0017","1338.74","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 B F N2 -","- C4 H10 B F N2 -","- C32 H80 B8 F8 N16 -","8","4","","","","Organometallics","2005","","","","","10.1021/om050371u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061580","12.196","0.002","13.59","0.003","19.382","0.004","90","","97.42","0.03","90","","3185.8","1.1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H47 N O5 Si4 W -","- C22 H47 N O5 Si4 W -","- C88 H188 N4 O20 Si16 W4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0503747","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061581","12.206","0.002","13.59","0.003","19.385","0.004","90","","97.7","0.03","90","","3186.5","1.1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H47 Ge N O5 Si3 W -","- C22 H47 Ge N O5 Si3 W -","- C88 H188 Ge4 N4 O20 Si12 W4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0503747","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061582","13.136","0.003","11.189","0.002","13.592","0.003","90","","91.61","0.03","90","","1997","0.7","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C26 H55 Li O11 Si3 Sn W -","- C25.97 H27 Li O11 Si3 Sn W -","- C51.94 H54 Li2 O22 Si6 Sn2 W2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0503747","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061583","13.171","0.003","11.244","0.002","13.646","0.003","90","","91.64","0.03","90","","2020.1","0.7","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C26 H55 Li Mo O11 Si3 Sn -","- C26 H55 Li Mo O11 Si3 Sn -","- C52 H110 Li2 Mo2 O22 Si6 Sn2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0503747","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061584","10.0439","0.0002","12.5191","0.0003","12.9326","0.0003","112.203","0.001","97.705","0.001","102.863","0.001","1424.26","0.06","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H60 Ge2 P2 Pt2 -","- C67 H59 Ge2 P2 Pt2 -","- C67 H59 Ge2 P2 Pt2 -","1","0.5","","","","Organometallics","2005","","","","","10.1021/om050392o","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061585","22.4","0.007","15.332","0.005","6.956","0.002","90","","90","","90","","2388.9","1.4","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H31 B10 Rh Se2 -","- C15 H31 B10 Rh Se2 -","- C60 H124 B40 Rh4 Se8 -","4","0.5","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061586","9.8867","0.0013","22.777","0.003","24.723","0.003","90","","92.101","0.002","90","","5563.6","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H62 B20 Mo O2 Rh2 S4 -","- C32 H62 B20 Mo O2 Rh2 S4 -","- C128 H248 B80 Mo4 O8 Rh8 S16 -","4","1","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061587","9.991","0.003","23.134","0.006","24.827","0.006","90","","92.53","0.005","90","","5733","3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H62 B20 Mo O2 Rh2 Se4 -","- C32 H62 B20 Mo O2 Rh2 Se4 -","- C128 H248 B80 Mo4 O8 Rh8 Se16 -","4","1","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061588","11.221","0.002","18.01","0.004","11.883","0.003","90","","107.027","0.003","90","","2296.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H64 B10 Rh2 S2 -","- C34 H60 B10 Rh2 S2 -","- C68 H120 B20 Rh4 S4 -","2","0.5","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061589","20.67","0.05","20.67","0.05","29.81","0.11","90","","90","","120","","11035","57","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C30 H62 B20 Ni Rh2 S4 -","- C30 H62 B20 Ni Rh2 S4 -","- C270 H558 B180 Ni9 Rh18 S36 -","9","0.5","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061590","20.882","0.002","20.882","0.002","30.075","0.005","90","","90","","120","","11357","2","298","2","298","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C30 H62 B20 Ni Rh2 Se4 -","- C30 H62 B20 Ni Rh2 Se4 -","- C270 H558 B180 Ni9 Rh18 Se36 -","9","0.5","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061591","9.587","0.005","13.173","0.005","16.586","0.005","85.882","0.005","79.527","0.005","73.952","0.005","1979","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H90 Cl4 Fe2 P4 -","- C92 H90 Cl4 Fe2 P4 -","- C92 H90 Cl4 Fe2 P4 -","1","0.5","","","","Organometallics","2005","","","","","10.1021/om050403d","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061592","21.6066","0.0002","29.4422","0.0002","31.0882","0.0003","90","","91.023","0.001","90","","19773.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C204 H180 Fe4 N8 P8 -","- C204 Fe4 N8 P8 -","- C816 Fe16 N32 P32 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050403d","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061593","12.3673","0.0001","22.2881","0.0002","16.1617","0.0002","90","","94.8887","0.0004","90","","4438.66","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H43 F6 Fe P3 -","- C50 H43 F6 Fe P3 -","- C200 H172 F24 Fe4 P12 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050403d","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061594","16.552","0.002","13.2079","0.0017","18.9008","0.0018","90","0.01","108.974","0.009","90","0.011","3907.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Br Fe N P4 -","- C36 H58 Br Fe N P4 -","- C144 H232 Br4 Fe4 N4 P16 -","4","1","","Ana I. F. Venâncioa; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martinsa; João J. R. Fraústo da Silvaa; Armando J. L. Pombeiroa","Allenylidene Iron(II) Complexes and Their Deprotonation, Nucleophilic Addition Reactions and Cathodic Protonation toward Alkynyl Derivatives, a Chemical and Electrochemistry Study","Organometallics","2005","","","","","10.1021/om050408a","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061595","11.311","0.003","25.042","0.004","45.647","0.003","90","","90","","90","","12930","4","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C69 H93 B Fe N2 O0 P4 -","- C69 H93 B Fe N2 P4 -","- C552 H744 B8 Fe8 N16 P32 -","8","1","","Venâncio, Ana I. F.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.","Allenylidene Iron(II) Complexes and Their Deprotonation, Nucleophilic Addition Reactions and Cathodic Protonation toward Alkynyl Derivatives, a Chemical and Electrochemistry Study","Organometallics","2005","24","19","4654","4665","10.1021/om050408a","","","","","","","","","","","","","","","","","","","","","has coordinates","133619","2020-10-21","18:00:00",""
"4061596","10.2069","0.0008","10.9296","0.0009","12.2175","0.001","89.494","0.002","88.038","0.002","82.096","0.002","1349.2","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H33 B10 Cl N5 Y -","- C14 H33 B10 Cl N5 Y -","- C28 H66 B20 Cl2 N10 Y2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050411u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061597","10.5448","0.0005","17.8967","0.0008","21.296","0.001","90","","98.911","0.001","90","","3970.4","0.3","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C25 H58 B10 Cl Li N O2 Si2 Y -","- C25 H58 B10 Cl Li N O2 Si2 Y -","- C100 H232 B40 Cl4 Li4 N4 O8 Si8 Y4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050411u","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061598","10.349","0.002","17.459","0.004","18.07","0.004","99.41","0.03","99.45","0.03","91.37","0.03","3173.2","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H50 B9 N2 O2 Si2 Sm -","- C18 H50 B9 N2 O2 Si2 Sm -","- C72 H200 B36 N8 O8 Si8 Sm4 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050411u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061599","24.005","0.005","10.377","0.002","26.378","0.005","90","","102.38","0.03","90","","6418","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H50 B9 Er N2 O2 Si2 -","- C18 H50 B9 Er N2 O2 Si2 -","- C144 H400 B72 Er8 N16 O16 Si16 -","8","2","","","","Organometallics","2005","","","","","10.1021/om050411u","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061600","11.269","0.002","13.902","0.003","15.197","0.003","90","","104.42","0.03","90","","2305.8","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H36 B9 Cl N O2 Y -","- C14 H36 B9 Cl N O2 Y -","- C56 H144 B36 Cl4 N4 O8 Y4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050411u","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061601","12.0178","0.0008","30.909","0.002","13.6832","0.001","90","","102.888","0.002","90","","4954.7","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H75 B9 Cl2 N O7 Y -","- C33 H72 B9 Cl2 N O7 Y -","- C132 H288 B36 Cl8 N4 O28 Y4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050411u","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061602","16.3109","0.0011","18.5458","0.0012","10.2668","0.0007","90","","100.011","0.001","90","","3058.4","0.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H47 B9 N O Si2 Y -","- C20 H47 B9 N O Si2 Y -","- C80 H188 B36 N4 O4 Si8 Y4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050411u","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061603","16.275","0.004","18.463","0.004","10.243","0.002","90","","100.051","0.004","90","","3030.8","1.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H47 B9 Er N O Si2 -","- C20 H47 B9 Er N O Si2 -","- C80 H188 B36 Er4 N4 O4 Si8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050411u","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061604","18.6315","0.0012","9.6162","0.0005","19.3704","0.0012","90","","99.633","0.006","90","","3421.6","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H18 Fe Mn O2 P -","- C19 H18 Fe Mn O2 P -","- C152 H144 Fe8 Mn8 O16 P8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050412m","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061605","18.8039","0.001","9.5428","0.0005","19.6102","0.0009","90","","99.243","0.005","90","","3473.2","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H18 Fe O2 P Re -","- C19 H18 Fe O2 P Re -","- C152 H144 Fe8 O16 P8 Re8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050412m","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061606","9.3554","0.0011","14.381","0.003","25.319","0.004","90","","91.73","0.03","90","","3404.9","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Fe Mn O P2 -","- C40 H38 Fe Mn O P2 -","- C160 H152 Fe4 Mn4 O4 P8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050412m","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061607","9.491","0.001","14.337","0.001","16.248","0.001","90","","102.53","0.01","90","","2158.2","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl O P Pd -","- C23 H24 Cl O P Pd -","- C92 H96 Cl4 O4 P4 Pd4 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050421v","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061608","9.5944","0.0006","12.481","0.0008","19.5848","0.0012","90","","90","","90","","2345.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl P Pd -","- C25 H28 Cl P Pd -","- C100 H112 Cl4 P4 Pd4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050421v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061609","9.2794","0.0017","9.7226","0.0018","19.725","0.004","90","","90","","90","","1779.6","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 B P -","- C21 H20 B P -","- C84 H80 B4 P4 -","4","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061610","8.249","0.005","13.548","0.011","15.057","0.008","90","","90","","90","","1682.7","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 B P -","- C19 H20 B P -","- C76 H80 B4 P4 -","4","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061611","8.775","0.001","13.861","0.001","15.155","0.001","90","","90","","90","","1843.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 B P -","- C21 H24 B P -","- C84 H96 B4 P4 -","4","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061612","16.399","0.002","9.7263","0.0012","29.053","0.004","90","","104.875","0.003","90","","4478.6","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H64 B2 P2 -","- C52 H64 B2 P2 -","- C208 H256 B8 P8 -","4","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061613","12.1513","0.0001","14.5284","0.0001","15.7986","0.0001","101.921","0.0003","106.64","0.0003","112.082","0.0003","2315.99","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H22 Cl F20 P3 Ru -","- C50 H22 Cl F20 P3 Ru -","- C100 H44 Cl2 F40 P6 Ru2 -","2","1","","Gagliardo, Marcella; Chase, Preston A.; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; Hartl, Frantisek; van Klink, Gerard P. M.; van Koten, Gerard","A Ruthenium(II) Complex Stabilized by a Highly Fluorinated PCP Pincer Ligand","Organometallics","2005","","","","","10.1021/om050422n","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061614","17.0044","0.0005","17.2981","0.0006","13.9084","0.0004","90","","95.72","0.002","90","","4070.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Cl P3 Ru -","- C50 H42 Cl P3 Ru -","- C200 H168 Cl4 P12 Ru4 -","4","1","","Gagliardo, Marcella; Chase, Preston A.; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; Hartl, Frantisek; van Klink, Gerard P. M.; van Koten, Gerard","A Ruthenium(II) Complex Stabilized by a Highly Fluorinated PCP Pincer Ligand","Organometallics","2005","","","","","10.1021/om050422n","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061615","10.4566","0.0008","11.1476","0.0007","11.9708","0.0006","74.971","0.005","85.341","0.005","84.28","0.006","1338.72","0.15","180","2","180","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 B Cl2 N6 Nb -","- C24 H30 B Cl2 N6 Nb -","- C48 H60 B2 Cl4 N12 Nb2 -","2","1","","Oulié, Pascal; Bréfuel, Nicolas; Vendier, Laure; Duhayon, Carine; Etienne, Michel","A New Way to Scorpionate Niobium Complexes: Terminal Alkyne, Imido and Oxo Complexes, and the Rearrangement of a-Agostic Ethyl Complexes","Organometallics","2005","24","17","4306","4314","10.1021/om050423f","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061616","13.909","0.005","16.844","0.005","17.769","0.005","72.442","0.005","71.083","0.005","70.172","0.005","3617.7","2","180","","180","","","","","","","","","8","P -1","-P 1","2","","","","- C18 H23 B Cl2 F3 N6 Nb O0.33 -","- C18 H23 B Cl2 F3 N6 Nb O0.333333 -","- C108 H138 B6 Cl12 F18 N36 Nb6 O2 -","6","3","","Oulié, Pascal; Bréfuel, Nicolas; Vendier, Laure; Duhayon, Carine; Etienne, Michel","A New Way to Scorpionate Niobium Complexes: Terminal Alkyne, Imido and Oxo Complexes, and the Rearrangement of a-Agostic Ethyl Complexes","Organometallics","2005","24","17","4306","4314","10.1021/om050423f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061617","12.7464","0.0004","14.1803","0.0004","12.1479","0.0003","90","","90","","90","","2195.71","0.11","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H34 Al N Si3 -","- C16 H34 Al N Si3 -","- C64 H136 Al4 N4 Si12 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050426s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061618","8.8068","0.0002","8.9623","0.0002","17.2181","0.0004","85.4238","0.0008","75.5482","0.0009","62.6172","0.0008","1167.59","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H38 Al N Si3 -","- C18 H38 Al N Si3 -","- C36 H76 Al2 N2 Si6 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050426s","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061619","21.4717","0.0003","16.2706","0.0002","25.7972","0.0004","90","","113.152","0.0007","90","","8286.6","0.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37.5 H38 Al B F15 N Si3 -","- C37.5 H38 Al B F15 N Si3 -","- C300 H304 Al8 B8 F120 N8 Si24 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050426s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061620","8.908","0.006","24.61","0.01","12.78","0.01","90","","90.7","0.07","90","","2802","3","243.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 Cl N3 V -","- C26 H45 Cl N3 V -","- C104 H180 Cl4 N12 V4 -","4","1","","Junji Yamada","A Stable Vanadium(V)-Methyl Complex","Organometallics","2005","","","","","10.1021/om0504295","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061621","9.755","0.003","11.703","0.005","14.304","0.006","98.43","0.02","104.86","0.01","107.88","0.02","1456","1","243.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H48 N3 V -","- C27 H48 N3 V -","- C54 H96 N6 V2 -","2","1","","Junji Yamada","A Stable Vanadium(V)-Methyl Complex","Organometallics","2005","","","","","10.1021/om0504295","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061622","17.173","0.002","8.382","0.001","18.589","0.003","90","","96.82","0.01","90","","2656.8","0.6","218","2","218","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 Co S2 -","- C14 H17 Co S2 -","- C112 H136 Co8 S16 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050431w","","","","","","","0.0293","","","0.0715","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061623","10.0305","0.0008","11.3623","0.0005","18.448","0.001","90","","95.909","0.003","90","","2091.3","0.2","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co F6 Fe P -","- C22 H20 Co F6 Fe P -","- C88 H80 Co4 F24 Fe4 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050431w","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061624","10.2117","0.0006","11.8399","0.0007","14.4314","0.0008","66.313","0.001","70.034","0.001","86.069","0.001","1497.02","0.15","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H31 B F6 N6 P Ru S3 -","- C22 H31 B F6 N6 P Ru S3 -","- C44 H62 B2 F12 N12 P2 Ru2 S6 -","2","1","","Seah Ling Kuan, Weng Kee Leong; Lai Yoong Goh, Richard D. Webster","Redox Dependent Isomerization of Organometallic RuII/RuIII Compounds Containing the Hydrotris(Methimazolyl)Borate Ligand. An Electrochemical Square Scheme Mechanism.","Organometallics","2005","","","","","10.1021/om050432o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061625","14.7149","0.0003","14.7149","0.0003","10.1605","0.0004","90","","90","","120","","1905.29","0.09","298","2","298","2","","","","","","","","7","P -3","-P 3","147","","","","- C22 H32 B N6 O0.5 Ru S3 -","- C21.9 H31.81 B N6 O0.51 Ru S3 -","- C43.8 H63.62 B2 N12 O1.02 Ru2 S6 -","2","0.333333","","Seah Ling Kuan, Weng Kee Leong; Lai Yoong Goh, Richard D. Webster","Redox Dependent Isomerization of Organometallic RuII/RuIII Compounds Containing the Hydrotris(Methimazolyl)Borate Ligand. An Electrochemical Square Scheme Mechanism.","Organometallics","2005","","","","","10.1021/om050432o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061626","11.892","0.001","14.532","0.001","15.385","0.001","101.934","0.001","95.489","0.001","103.635","0.001","2498.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H59 F6 Ir N4 O9 S4 -","- C36 H59 F6 Ir N4 O9 S4 -","- C72 H118 F12 Ir2 N8 O18 S8 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050448e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061627","12.578","0.001","13.659","0.001","13.886","0.001","68.913","0.001","80.391","0.001","84.195","0.001","2192.5","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H49 Cl2 F6 N4 O7 Rh S4 -","- C31 H49 Cl2 F6 N4 O7 Rh S4 -","- C62 H98 Cl4 F12 N8 O14 Rh2 S8 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050448e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061628","6.43","0.001","9.321","0.001","9.463","0.001","83.124","0.002","73.692","0.002","75.836","0.002","527","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H30 N4 S2 -","- C18 H30 N4 S2 -","- C18 H30 N4 S2 -","1","0.5","","","","Organometallics","2005","","","","","10.1021/om050448e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061629","20.0697","0.0006","20.0697","0.0006","25.8902","0.0008","90","","90","","90","","10428.4","0.5","110","2","110","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C18 H29 Cl2 O Si Ta -","- C18 H29 Cl2 O Si Ta -","- C288 H464 Cl32 O16 Si16 Ta16 -","16","1","","Goux, Jerome; Le Gendre, Pierre; Richard, Philippe; Claude, Moise","Oxo and hydroxo tantalocene complexes: synthesis and reactivity. X-Ray molecular structures of [(η^5^-Cp*)TaCl(OH)(η^5^-C~5~H~4~SiMe~3~)]^+^Cl^-^, (η^5^-Cp*)Ta=OCl(η^5^-C~5~H~4~SiMe~3~)], [(η^5^-Cp*)TaCl~2~ (η^5^-C~5~H~4~SiMe~3~)]+PF~6~^-^.","Organometallics","2005","","","","","10.1021/om0504497","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061630","9.2512","0.0001","17.5808","0.0003","12.0875","0.0002","90","","106.209","0.001","90","","1887.81","0.05","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cl O Si Ta -","- C18 H28 Cl O Si Ta -","- C72 H112 Cl4 O4 Si4 Ta4 -","4","1","","Goux, Jerome; Le Gendre, Pierre; Richard, Philippe; Claude, Moise","Oxo and hydroxo tantalocene complexes: synthesis and reactivity. X-Ray molecular structures of [(η^5^-Cp*)TaCl(OH)(η^5^-C~5~H~4~SiMe~3~)]^+^Cl^-^, (η^5^-Cp*)Ta=OCl(η^5^-C~5~H~4~SiMe~3~)], [(η^5^-Cp*)TaCl~2~ (η^5^-C~5~H~4~SiMe~3~)]+PF~6~^-^.","Organometallics","2005","","","","","10.1021/om0504497","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061631","8.7871","0.0002","17.1558","0.0004","15.606","0.0004","90","","98.767","0.001","90","","2325.11","0.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl2 F6 P Si Ta -","- C18 H28 Cl2 F6 P Si Ta -","- C72 H112 Cl8 F24 P4 Si4 Ta4 -","4","1","","Goux, Jerome; Le Gendre, Pierre; Richard, Philippe; Claude, Moise","Oxo and hydroxo tantalocene complexes: synthesis and reactivity. X-Ray molecular structures of [(η^5^-Cp*)TaCl(OH)(η^5^-C~5~H~4~SiMe~3~)]^+^Cl^-^, (η^5^-Cp*)Ta=OCl(η^5^-C~5~H~4~SiMe~3~)], [(η^5^-Cp*)TaCl~2~ (η^5^-C~5~H~4~SiMe~3~)]+PF~6~^-^.","Organometallics","2005","","","","","10.1021/om0504497","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061632","11.4308","0.0006","36.692","0.002","12.6396","0.0008","90","","103.788","0.004","90","","5148.5","0.5","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 F3 N4 O4 Pd S -","- C21 H29 F3 N4 O4 Pd S -","- C168 H232 F24 N32 O32 Pd8 S8 -","8","2","","Vicente, José; Abad, José-Antonio; López, Joaquín; Jones, Peter G.; Nájera, Carmen; Botella-Segura, Luis","Synthesis and reactivity of ortho-palladated arylureas. Synthesis and catalytic activity of a C,N,C pincer complex. Stiochiometric syntheses of some N-heterocycles.","Organometallics","2005","","","","","10.1021/om050451y","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061633","13.2337","0.0009","16.0883","0.0009","18.6439","0.0011","77.246","0.004","74.208","0.004","78.201","0.004","3681","0.4","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H40.5 Cl1.5 N5 O Pd -","- C41.5 H39.5 Cl1.5 N5 O Pd -","- C166 H158 Cl6 N20 O4 Pd4 -","4","2","","Vicente, José; Abad, José-Antonio; López, Joaquín; Jones, Peter G.; Nájera, Carmen; Botella-Segura, Luis","Synthesis and reactivity of ortho-palladated arylureas. Synthesis and catalytic activity of a C,N,C pincer complex. Stiochiometric syntheses of some N-heterocycles.","Organometallics","2005","","","","","10.1021/om050451y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061634","14.6886","0.0012","13.9976","0.0012","19.357","0.0016","90","","92.82","0.003","90","","3975.1","0.6","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 F3 N4 O5 Pd S -","- C39 H49 F3 N4 O5 Pd S -","- C156 H196 F12 N16 O20 Pd4 S4 -","4","1","","Vicente, José; Abad, José-Antonio; López, Joaquín; Jones, Peter G.; Nájera, Carmen; Botella-Segura, Luis","Synthesis and reactivity of ortho-palladated arylureas. Synthesis and catalytic activity of a C,N,C pincer complex. Stiochiometric syntheses of some N-heterocycles.","Organometallics","2005","","","","","10.1021/om050451y","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061635","11.2565","0.0006","12.1297","0.0006","12.7493","0.0006","96.519","0.004","94.892","0.004","105.625","0.004","1653.34","0.14","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H37 F3 N4 O6 Pd S -","- C31 H37 F3 N4 O6 Pd S -","- C62 H74 F6 N8 O12 Pd2 S2 -","2","1","","Vicente, José; Abad, José-Antonio; López, Joaquín; Jones, Peter G.; Nájera, Carmen; Botella-Segura, Luis","Synthesis and reactivity of ortho-palladated arylureas. Synthesis and catalytic activity of a C,N,C pincer complex. Stiochiometric syntheses of some N-heterocycles.","Organometallics","2005","","","","","10.1021/om050451y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061636","12.494","0.002","8.2559","0.0014","14.828","0.003","90","","93.018","0.008","90","","1527.4","0.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Vicente, José; Abad, José-Antonio; López, Joaquín; Jones, Peter G.; Nájera, Carmen; Botella-Segura, Luis","Synthesis and reactivity of ortho-palladated arylureas. Synthesis and catalytic activity of a C,N,C pincer complex. Stiochiometric syntheses of some N-heterocycles.","Organometallics","2005","","","","","10.1021/om050451y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061637","20.538","0.002","6.9493","0.0008","16.1938","0.0019","90","","123.68","0.002","90","","1923.3","0.4","163","2","163","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 U -","- C20 H32 U -","- C80 H128 U4 -","4","0.5","","Wiliam J. Evans","Synthesis and Structure of the Tetramethylcyclopentadienyl Uranium Metallocenes, (C5Me4H)2UMe2, (C5Me4H)2UMeCl, [(C5Me4H)2U][(µ-Ph)2BPh2], and [(C5Me4)SiMe2(CH2CH=CH2)]2UI(THF)","Organometallics","2005","","","","","10.1021/om050462r","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061638","17.797","0.0019","6.8129","0.0007","15.6369","0.0017","90","","90","","90","","1896","0.3","163","2","163","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C19 H29 Cl U -","- C19 H29 Cl U -","- C76 H116 Cl4 U4 -","4","0.25","","Wiliam J. Evans","Synthesis and Structure of the Tetramethylcyclopentadienyl Uranium Metallocenes, (C5Me4H)2UMe2, (C5Me4H)2UMeCl, [(C5Me4H)2U][(µ-Ph)2BPh2], and [(C5Me4)SiMe2(CH2CH=CH2)]2UI(THF)","Organometallics","2005","","","","","10.1021/om050462r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061639","9.9966","0.0013","16.7","0.002","23.666","0.003","90","","99.917","0.002","90","","3891.9","0.9","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H54 B U -","- C49 H54 B U -","- C196 H216 B4 U4 -","4","1","","Wiliam J. Evans","Synthesis and Structure of the Tetramethylcyclopentadienyl Uranium Metallocenes, (C5Me4H)2UMe2, (C5Me4H)2UMeCl, [(C5Me4H)2U][(µ-Ph)2BPh2], and [(C5Me4)SiMe2(CH2CH=CH2)]2UI(THF)","Organometallics","2005","","","","","10.1021/om050462r","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061640","8.9828","0.0004","28.1474","0.0011","14.0992","0.0006","90","","104.415","0.001","90","","3452.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 I O Si2 U -","- C32 H54 I O Si2 U -","- C128 H216 I4 O4 Si8 U4 -","4","1","","Wiliam J. Evans","Synthesis and Structure of the Tetramethylcyclopentadienyl Uranium Metallocenes, (C5Me4H)2UMe2, (C5Me4H)2UMeCl, [(C5Me4H)2U][(µ-Ph)2BPh2], and [(C5Me4)SiMe2(CH2CH=CH2)]2UI(THF)","Organometallics","2005","","","","","10.1021/om050462r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178513","2020-10-21","18:00:00",""
"4061641","12.743","0.002","15.139","0.003","15.564","0.003","90","","105.193","0.003","90","","2897.4","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Br Ni P2 -","- C32 H39 Br Ni P2 -","- C128 H156 Br4 Ni4 P8 -","4","1","","Hanbaek Lee; Paul R. Sharp","Nickel and Platinum sigma-Bonded Derivatives of Corannulene","Organometallics","2005","","","","","10.1021/om050464b","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061642","12.9473","0.0006","15.1634","0.0007","15.591","0.0008","90","","104.441","0.001","90","","2964.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Br P2 Pt -","- C32 H39 Br P2 Pt -","- C128 H156 Br4 P8 Pt4 -","4","1","","Hanbaek Lee; Paul R. Sharp","Nickel and Platinum sigma-Bonded Derivatives of Corannulene","Organometallics","2005","","","","","10.1021/om050464b","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061643","13.7981","0.0018","30.367","0.004","31.554","0.004","90","","94.439","0.003","90","","13182","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Br4 P2 Pt -","- C32 H36 Br4 P2 Pt -","- C512 H576 Br64 P32 Pt16 -","16","4","","Hanbaek Lee; Paul R. Sharp","Nickel and Platinum sigma-Bonded Derivatives of Corannulene","Organometallics","2005","","","","","10.1021/om050464b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178513","2020-10-21","18:00:00",""
"4061644","9.6046","0.0004","27.3175","0.0011","20.0055","0.0009","90","","96.583","0.001","90","","5214.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H70.37 Br3.63 P4 Pt2 -","- C47.5 H70.369 Br3.631 P4 Pt2 -","- C190 H281.476 Br14.524 P16 Pt8 -","4","1","","Hanbaek Lee; Paul R. Sharp","Nickel and Platinum sigma-Bonded Derivatives of Corannulene","Organometallics","2005","","","","","10.1021/om050464b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061645","11.7563","0.0009","17.1373","0.0014","17.3475","0.0013","90","","93.152","0.002","90","","3489.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Cl4 N5 P Ru -","- C34 H34 Cl4 N5 P Ru -","- C136 H136 Cl16 N20 P4 Ru4 -","4","1","","Haixia Deng, Zhengkun Yu, Jinhua Dong, Sizhong Wu","2,6-Bis(3,5-dimethylpyrazol-1-yl)pyridine: A Useful Pseudo N3 Ligand in Efficient Ruthenium(II)-Catalyzed Transfer Hydrogenation of Ketones","Organometallics","2005","","","","","10.1021/om050467o","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061646","14.6335","0.0001","23.3173","0.0002","25.5322","0.0002","90","","90","","90","","8711.94","0.12","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C94 H90 N2 O10 P4 Pd3 Re2 -","- C94 H90 N2 O10 P4 Pd3 Re2 -","- C376 H360 N8 O40 P16 Pd12 Re8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0504708","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061647","18.0749","0.0007","10.7323","0.0004","29.8231","0.0011","90","","96.151","0.001","90","","5751.9","0.4","137","2","137","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LZn2Ph2","","","- C32 H36 N4 O Zn2 -","- C32 H36 N4 O Zn2 -","- C256 H288 N32 O8 Zn16 -","8","2","","","The First Structural Characterization of alpha-Zincated (Reformatsky) Amides and Phosphine Oxides","Organometallics","2005","","","","","10.1021/om050474c","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061648","10.6982","0.0005","13.7628","0.0007","15.2245","0.0007","81.638","0.002","75.099","0.001","83.287","0.001","2135.78","0.18","154","2","154","2","","","","","","","","6","P -1","-P 1","2","LZn2Ph2(OPMe3)2","","","- C41.5 H66 N4 O3 P2 Zn2 -","- C38 H54 N4 O3 P2 Zn2 -","- C76 H108 N8 O6 P4 Zn4 -","2","1","","","The First Structural Characterization of alpha-Zincated (Reformatsky) Amides and Phosphine Oxides","Organometallics","2005","","","","","10.1021/om050474c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061649","13.394","0.0005","10.8162","0.0004","21.5733","0.0009","90","","107.655","0.001","90","","2978.2","0.2","154","2","154","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","LZn2[CH2P(O)Me2]2","","","- C26 H42 N4 O3 P2 Zn2 -","- C26 H42 N4 O3 P2 Zn2 -","- C104 H168 N16 O12 P8 Zn8 -","4","1","","","The First Structural Characterization of alpha-Zincated (Reformatsky) Amides and Phosphine Oxides","Organometallics","2005","","","","","10.1021/om050474c","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061650","10.0092","0.0009","12.9116","0.0012","22.7","0.002","90","","98.982","0.003","90","","2897.6","0.5","155","2","155","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LZn2[CH2C(O)NMe2]2","","","- C28 H42 N6 O3 Zn2 -","- C28 H42 N6 O3 Zn2 -","- C112 H168 N24 O12 Zn8 -","4","1","","","The First Structural Characterization of alpha-Zincated (Reformatsky) Amides and Phosphine Oxides","Organometallics","2005","","","","","10.1021/om050474c","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061651","9.8328","0.0006","10.2516","0.0006","14.9852","0.0009","80.797","0.005","85.881","0.005","66.447","0.006","1366.82","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H42 Ir O3 P Si -","- C23 H42 Ir O3 P Si -","- C46 H84 Ir2 O6 P2 Si2 -","2","1","","Kubicki, Maciej; Kownacki, Ireneusz; Marciniec, Bogdan","","Organometallics","2005","","","","","10.1021/om050478h","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061652","7.0927","0.0008","13.3643","0.0014","12.5749","0.0013","90","","91.057","0.002","90","","1191.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cr N O3 -","- C12 H15 Cr N O3 -","- C48 H60 Cr4 N4 O12 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050484d","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061653","7.1688","0.0008","13.5094","0.0014","12.6905","0.0013","90","","93.127","0.002","90","","1227.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Mo N O3 -","- C12 H15 Mo N O3 -","- C48 H60 Mo4 N4 O12 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050484d","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061654","7.1578","0.0006","13.471","0.0012","12.6744","0.0011","90","","92.878","0.001","90","","1220.56","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O3 W -","- C12 H15 N O3 W -","- C48 H60 N4 O12 W4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050484d","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061655","26.028","0.004","8.0667","0.0011","6.9001","0.001","90","","90","","90","","1448.8","0.4","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H16 Cl N O3 W -","- C12 H17 Cl N O3 W -","- C48 H68 Cl4 N4 O12 W4 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050484d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061656","8.9559","0.0009","23.828","0.002","14.0808","0.0014","90","","97.029","0.002","90","","2982.3","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Au Cl Mo N O3 P -","- C30 H30 Au Cl Mo N O3 P -","- C120 H120 Au4 Cl4 Mo4 N4 O12 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050484d","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061657","15.541","0.002","23.874","0.003","17.795","0.003","90","","115.381","0.002","90","","5965.1","1.5","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Au Cl N O3 P W -","- C30 H30 Au Cl N O3 P W -","- C240 H240 Au8 Cl8 N8 O24 P8 W8 -","8","2","","","","Organometallics","2005","","","","","10.1021/om050484d","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061658","11.169","0.004","19.417","0.008","13.637","0.005","90","","106.889","0.006","90","","2829.9","1.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Au Cr N O3 P -","- C30 H29 Au Cr N O3 P -","- C120 H116 Au4 Cr4 N4 O12 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050484d","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061659","11.8991","0.0016","18.567","0.003","13.8647","0.0019","90","","109.127","0.002","90","","2894.1","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Au Mo N O3 P -","- C30 H29 Au Mo N O3 P -","- C120 H116 Au4 Mo4 N4 O12 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050484d","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061660","10.1242","0.0017","12.635","0.002","14.459","0.002","88.271","0.004","80.54","0.003","89.024","0.003","1823.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H50 B Os P -","- C46 H50 B Os P -","- C92 H100 B2 Os2 P2 -","2","1","","Baya, M.; Buil, M. L; Esteruelas, M. A.; Oñate, E.","The Cyclopentadienyl-Osmium Moiety as Template for the Formation of a Dihydronaphtylphosphine by Coupling between Phenylacetylene and an a-Alkenylphosphine","Organometallics","2005","","","","","10.1021/om050487q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061661","10.7043","0.0009","16.348","0.001","23.4626","0.0005","90","","90","","90","","4105.7","0.5","296.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H39 Cl P2 Ru -","- C53 H39 Cl P2 Ru -","- C212 H156 Cl4 P8 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050488i","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061662","14.9052","0.0002","14.9631","0.0001","10.4417","0.0001","90","","99.468","0.0003","90","","2297.07","0.04","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 Cl N2 O Pd Si -","- C20 H37 Cl N2 O Pd Si -","- C80 H148 Cl4 N8 O4 Pd4 Si4 -","4","1","","van de Coevering, Rob; Kuil, Mark; Alfers, Alfred P.; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J.M.; van Koten, Gerard","Organometallic Zwitterions: Arylpalladium(II) (Pincer) Complexes with a Tethered Sulfato Group as para-Substituent","Organometallics","2005","","","","","10.1021/om050494e","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061663","13.6332","0.0007","14.4891","0.0007","14.9966","0.0008","90","","90","","90","","2962.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 O Rh3 S3 -","- C33 H39 O Rh3 S3 -","- C132 H156 O4 Rh12 S12 -","4","1","","Camerano,J.A.; Casado,M.A.; Ciriano,M.A.; Lahoz,F.J.; Oro,L.A.","A Trithiol Protio-Ligand and its Fixation to the Periphery of a Carbosilane Dendrimer as Scaffolds for Polynuclear Rhodium and Iridium Complexes and Metallodendrimers #","Organometallics","2005","","","","","10.1021/om0504957","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061664","9.1289","0.0008","18.0187","0.0015","11.9037","0.001","90","","104.826","0.001","90","","1892.9","0.3","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 O2 S Si -","- C17 H26 O2 S Si -","- C68 H104 O8 S4 Si4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050501z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061665","29.485","0.005","7.9331","0.0013","24.546","0.004","90","","94.279","0.003","90","","5725.4","1.7","158","2","158","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H41 N O2 S Si2 -","- C27 H41 N O2 S Si2 -","- C216 H328 N8 O16 S8 Si16 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050501z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061666","17.2403","0.0013","8.4805","0.0004","14.7512","0.0011","90","","109.836","0.001","90","","2028.8","0.2","298.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 N2 Ni S2 -","- C9 H5 N2 Ni S2 -","- C72 H40 N16 Ni8 S16 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050502r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061667","5.96","0.018","7.71","0.01","31.23","0.03","90","","90","","90","","1435","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O Se -","- C16 H16 O Se -","- C64 H64 O4 Se4 -","4","1","","Das, Jaya Prakash; Roy, Ujjal Kanti; Roy, Sujit","Synthesis of Alkynyl and Vinyl Selenides via Selenodecarboxylation of Arylpropiolic and Cinnamic Acids","Organometallics","2005","24","25","6136","6140","10.1021/om050504b","","","","","","","","","","","","","","","","","","","","","has coordinates","209046","2020-10-21","18:00:00",""
"4061668","17.0541","0.0003","33.2408","0.0007","9.7446","0.0002","90","","91.6689","0.001","90","","5521.79","0.19","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 F2 I2 P2 Pt -","- C24 H38 F2 I2 P2 Pt -","- C192 H304 F16 I16 P16 Pt8 -","8","2","","","","Organometallics","2005","","","","","10.1021/om050507o","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061669","13.352","0.002","19.546","0.003","16.723","0.002","90","","90","","90","","4364.2","1.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Al F12 N2 O3 -","- C15 H21 Al F12 N2 O3 -","- C120 H168 Al8 F96 N16 O24 -","8","1","","Amgoune Abderramane; Lavanant Laurent; Thomas Christophe; Chi Yun; Welter Richard; Dagorne Samuel; Carpentier Jean-Francois","An aluminum complex supported by a fluorous diamino-dialkoxide ligand for the highly productive ring opening polymerization of e-caprolactone","Organometallics","2005","","","","","10.1021/om050512s","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061670","10.743","0.0002","13.521","0.0003","13.573","0.0003","71.499","0.0019","84.663","0.0014","67.077","0.0011","1720.96","0.06","230","0.1","230","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C80 H66 N10 P4 Ti2 -","- C80 H66 N10 P4 Ti2 -","- C80 H66 N10 P4 Ti2 -","1","0.5","","","","Organometallics","2005","","","","","10.1021/om050518h","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061671","9.557","0.0019","13.989","0.003","29.553","0.006","90","","98.41","0.03","90","","3908.5","1.4","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Au B N6 O2 P W -","- C38 H37 Au B N6 O2 P W -","- C152 H148 Au4 B4 N24 O8 P4 W4 -","4","1","","Rian Dewhurst; Anthony F. Hill; Matthew K. Smith","","Organometallics","2005","","","","","10.1021/om050528i","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061672","19.161","0.005","10.128","0.005","32.897","0.005","90","0.005","95.063","0.005","90","0.005","6359","4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H83 Au B2 N13 O4 W2 -","- C56 H78 Au B2 N13 O4 W2 -","- C224 H312 Au4 B8 N52 O16 W8 -","4","1","","Rian Dewhurst; Anthony F. Hill; Matthew K. Smith","","Organometallics","2005","","","","","10.1021/om050528i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178513","2020-10-21","18:00:00",""
"4061673","19.0406","0.0002","18.9032","0.0002","19.5695","0.0002","90","","117.095","0.0005","90","","6270.57","0.11","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H35 Cl2 O5 P W -","- C28.5 H35 Cl2 O5 P W -","- C228 H280 Cl16 O40 P8 W8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050530+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061674","8.6093","0.0014","10.8936","0.0018","16.436","0.003","113.42","0.003","90.558","0.003","110.862","0.003","1301","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H41 Cl N P Ru -","- C27 H41 Cl N P Ru -","- C54 H82 Cl2 N2 P2 Ru2 -","2","1","","","Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes","Organometallics","2005","","","","","10.1021/om050534e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061675","30.1098","0.0015","8.6819","0.0004","19.8139","0.001","90","","90","","90","","5179.6","0.4","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C27 H41 Cl N P Ru -","- C27 H41 Cl N P Ru -","- C216 H328 Cl8 N8 P8 Ru8 -","8","1","","","Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes","Organometallics","2005","","","","","10.1021/om050534e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061676","11.9627","0.0006","14.7936","0.0007","16.9124","0.0008","90","","91.757","0.0008","90","","2991.6","0.3","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 B F4 N2 P Ru -","- C29 H44 B F4 N2 P Ru -","- C116 H176 B4 F16 N8 P4 Ru4 -","4","1","","","Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes","Organometallics","2005","","","","","10.1021/om050534e","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061677","22.564","0.002","17.2402","0.0016","20.066","0.0018","90","","109.048","0.001","90","","7378.3","1.2","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H62 B F4 N2 P Ru -","- C29 H44 B F4 N2 P Ru -","- C232 H352 B8 F32 N16 P8 Ru8 -","8","1","","","Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes","Organometallics","2005","","","","","10.1021/om050534e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061678","12.0071","0.0008","13.0736","0.0009","16.2792","0.0011","99.1898","0.0009","94.1443","0.0009","104.207","0.0009","2428.8","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H41 B F20 N P Ru -","- C51 H41 B F20 N P Ru -","- C102 H82 B2 F40 N2 P2 Ru2 -","2","1","","","Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes","Organometallics","2005","","","","","10.1021/om050534e","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061679","10.1928","0.0007","15.617","0.0011","16.3214","0.0011","79.3438","0.0009","72.1948","0.0009","88.2354","0.0009","2430","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H41 B F20 N P Ru -","- C51 H41 B F20 N P Ru -","- C102 H82 B2 F40 N2 P2 Ru2 -","2","1","","","Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes","Organometallics","2005","","","","","10.1021/om050534e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061680","14.0492","0.0005","16.1616","0.0006","11.0248","0.0004","90","","95.5325","0.0007","90","","2491.6","0.16","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 N P Ru -","- C27 H40 N P Ru -","- C108 H160 N4 P4 Ru4 -","4","1","","","Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes","Organometallics","2005","","","","","10.1021/om050534e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178513","2020-10-21","18:00:00",""
"4061681","11.922","0.0011","12.2284","0.0011","13.7269","0.0012","88.8943","0.0012","68.6821","0.0012","89.6857","0.0012","1863.9","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H57 N P2 Ru -","- C41.5 H57 N P2 Ru -","- C83 H114 N2 P4 Ru2 -","2","1","","","Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes","Organometallics","2005","","","","","10.1021/om050534e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061682","13.0029","0.0006","24.801","0.0011","35.8438","0.0016","90","","90","","90","","11559.1","0.9","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44.5 N2.5 P Ru -","- C30 H44.5 N2.5 P Ru -","- C480 H712 N40 P16 Ru16 -","16","2","","","Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes","Organometallics","2005","","","","","10.1021/om050534e","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061683","9.6831","0.0004","10.4917","0.0005","17.9961","0.0008","86.114","0.002","81.285","0.002","87.639","0.002","1802.11","0.13","173.2","","173.2","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H33 F6 P2 Pd S Sb -","- C39 H33 F6 P2 Pd S Sb -","- C78 H66 F12 P4 Pd2 S2 Sb2 -","2","1","","J. W. Faller","","Organometallics","2005","","","","","10.1021/om050537r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061684","10.0732","0.0002","15.1873","0.0003","30.3618","0.0006","90","","90","","90","","4644.9","0.1","173.2","","173.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H41 F6 P2 Pd S Sb -","- C53 H41 F6 P2 Pd S Sb -","- C212 H164 F24 P8 Pd4 S4 Sb4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050537r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061685","11.447","0.0005","17.4387","0.0008","11.4796","0.0006","90","","97.761","0.003","90","","2270.6","0.2","173.2","","173.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H41 F6 P2 Pd S Sb -","- C49 H41 F6 P2 Pd S Sb -","- C98 H82 F12 P4 Pd2 S2 Sb2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050537r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061686","8.8802","0.0006","9.1973","0.0007","15.0299","0.0011","90","","90","","90","","1227.55","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 Cl2 N Ti -","- C10 H17 Cl2 N Ti -","- C40 H68 Cl8 N4 Ti4 -","4","1","","Esteruelas, M. A.; López, A. M. L.; Mateo, A. C.; Oñate, E.","New Titanium Complexes Containing a Cyclopentadienyl Ligand with a Pendant Aminoalkyl Substituent: Preparation, Behavior of the Amino Group, and Catalytic Hydroamination of Alkynes","Organometallics","2005","","","","","10.1021/om050542v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061687","8.9192","0.0016","9.1904","0.0016","15.249","0.003","90","0.003","90","0.003","90","0.004","1250","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl N Ti -","- C11 H20 Cl N Ti -","- C44 H80 Cl4 N4 Ti4 -","4","1","","Esteruelas, M. A.; López, A. M. L.; Mateo, A. C.; Oñate, E.","New Titanium Complexes Containing a Cyclopentadienyl Ligand with a Pendant Aminoalkyl Substituent: Preparation, Behavior of the Amino Group, and Catalytic Hydroamination of Alkynes","Organometallics","2005","","","","","10.1021/om050542v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061688","8.4483","0.0014","7.8564","0.0013","14.967","0.003","90","","97.839","0.003","90","","984.1","0","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cl2 N2 O2 Ti2 -","- C18 H28 Cl2 N2 O2 Ti2 -","- C36 H56 Cl4 N4 O4 Ti4 -","2","0.5","","Esteruelas, M. A.; López, A. M. L.; Mateo, A. C.; Oñate, E.","New Titanium Complexes Containing a Cyclopentadienyl Ligand with a Pendant Aminoalkyl Substituent: Preparation, Behavior of the Amino Group, and Catalytic Hydroamination of Alkynes","Organometallics","2005","","","","","10.1021/om050542v","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061689","17.038","0.002","11.182","0.0014","17.564","0.002","90","","112.791","0.002","90","","3084.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H49 N3 Ti -","- C33 H49 N3 Ti -","- C132 H196 N12 Ti4 -","4","1","","Esteruelas, M. A.; López, A. M. L.; Mateo, A. C.; Oñate, E.","New Titanium Complexes Containing a Cyclopentadienyl Ligand with a Pendant Aminoalkyl Substituent: Preparation, Behavior of the Amino Group, and Catalytic Hydroamination of Alkynes","Organometallics","2005","","","","","10.1021/om050542v","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061690","22.764","0.004","22.764","0.004","60.76","0.02","90","","90","","120","","27269","11","273","2","273","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C34 H35 F6 O Ru Sb -","- C34 H35 F6 O Ru Sb -","- C1224 H1260 F216 O36 Ru36 Sb36 -","36","1","","","","Organometallics","2005","","","","","10.1021/om0505458","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061691","17.091","0.003","18.695","0.003","14.903","0.002","90","","94.067","0.004","90","","4749.8","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 Cl4 F12 Ru2 Sb2 -","- C42 H44 Cl4 F12 Ru2 Sb2 -","- C168 H176 Cl16 F48 Ru8 Sb8 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om0505458","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061692","33.404","0.006","13.912","0.002","13.422","0.002","90","","95.131","0.003","90","","6212.4","1.7","120","0.1","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27 H40 B Cl2 F4 Mo2 O2 P -","- C27 H40 B Cl2 F4 Mo2 O2 P -","- C216 H320 B8 Cl16 F32 Mo16 O16 P8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050550b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178513","2020-10-21","18:00:00",""
"4061693","9.2905","0.0019","17.63","0.004","25.898","0.005","90","","94.555","0.004","90","","4228.5","1.5","393","2","393","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C37 H58 B Cl2 F4 Mo2 N2 O2 P -","- C37 H58 B Cl2 F4 Mo2 N2 O2 P -","- C148 H232 B4 Cl8 F16 Mo8 N8 O8 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050550b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061694","8.5542","0.0003","15.911","0.0006","15.4317","0.0006","90","","102.138","0.001","90","","2053.39","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H29 Cl2 N2 O4 Rh -","- C16 H29 Cl2 N2 O4 Rh -","- C64 H116 Cl8 N8 O16 Rh4 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050553o","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061695","13.5331","0.0006","12.037","0.0004","22.7027","0.0008","90","","94.644","0.004","90","","3686.1","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H29 Cl2 N2 Rh -","- C16 H29 Cl2 N2 Rh -","- C128 H232 Cl16 N16 Rh8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050553o","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061696","11.156","0.002","15.78","0.003","30.671","0.006","90","","90","","90","","5399.7","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H46 P2 Pd -","- C25 H46 P2 Pd -","- C200 H368 P16 Pd8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om0505561","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061697","21.0355","0.0014","12.5322","0.0007","10.9438","0.0006","90","","101.951","0.005","90","","2822.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 O2 P2 Pd -","- C26 H46 O2 P2 Pd -","- C104 H184 O8 P8 Pd4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0505561","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061698","13.0192","0.0011","12.2471","0.001","17.7002","0.0015","90","","99.614","0.002","90","","2782.6","0.4","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 O3 S -","- C32 H36 O3 S -","- C128 H144 O12 S4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050560c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061699","22.692","0.001","8.3884","0.0005","20.411","0.001","90","","110.821","0.003","90","","3631.5","0.3","110","1","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H50 O2 S Si2 -","- C38 H50 O2 S Si2 -","- C152 H200 O8 S4 Si8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050560c","","","","","","","","","","","","","","","","","","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4061700","10.3427","0.0003","19.0944","0.0006","21.5341","0.0007","81.641","0.001","77.779","0.002","84.072","0.002","4100.6","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H34 O4 S Zr -","- C15.7285 H32.9355 O4 S0.9095 Zr -","- C125.828 H263.484 O32 S7.276 Zr8 -","8","4","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om050560c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061701","17.718","0.001","12.194","0.001","9.611","0.001","90","","94.447","0.003","90","","2070.2","0.3","120","1","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 O4 S2 Ti -","- C16 H32 O4 S2 Ti -","- C64 H128 O16 S8 Ti4 -","4","0.5","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om050560c","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061702","10.2494","0.0002","10.808","0.0002","20.4758","0.0003","90","","101.99","0.0007","90","","2218.73","0.07","120","1","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cl2 O4 S Zr -","- C16 H32 Cl2 O4 S Zr -","- C64 H128 Cl8 O16 S4 Zr4 -","4","1","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om050560c","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061703","10.0684","0.0002","10.7817","0.0002","20.2383","0.0004","90","","101.938","0.001","90","","2149.44","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cl2 O4 S Ti -","- C16 H32 Cl2 O4 S Ti -","- C64 H128 Cl8 O16 S4 Ti4 -","4","1","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om050560c","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061704","8.1824","","15.6184","","15.8615","","90","","100.905","","90","","1990.43","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 Mo O2 P -","- C21 H31 Mo O2 P -","- C84 H124 Mo4 O8 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050564h","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061705","9.0759","","9.9457","","14.4733","","97.068","","94.462","","111.595","","1194.74","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 Mo O2 P -","- C28 H27 Mo O2 P -","- C56 H54 Mo2 O4 P2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050564h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061706","9.1852","","14.5617","","13.3575","","90","","98.945","","90","","1764.87","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 Mo O2 P -","- C17 H27 Mo O2 P -","- C68 H108 Mo4 O8 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050564h","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061707","8.2326","0.0008","20.152","0.002","20.929","0.002","90","","90","","90","","3472.3","0.6","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H33 Cl2 O P3 Pd -","- C38 H33 Cl2 O P3 Pd -","- C152 H132 Cl8 O4 P12 Pd4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0505662","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061708","12.3895","0.001","10.1181","0.0006","13.7513","0.0012","90","","90.954","0.007","90","","1723.6","0.2","140","2","","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C44 H32 O2 P2 -","- C44 H32 O2 P2 -","- C88 H64 O4 P4 -","2","0.5","","Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario","","Organometallics","2005","","","","","10.1021/om050568m","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061709","13.776","0.002","21.201","0.002","10.7958","0.0018","90","","90","","90","","3153","0.8","140","2","140","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C72 H60 Cl4 O4 P2 Ru2 -","- C72 H60 Cl4 O4 P2 Ru2 -","- C144 H120 Cl8 O8 P4 Ru4 -","2","0.5","","Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario","","Organometallics","2005","","","","","10.1021/om050568m","","","","","","","","","","","","","","","","","","","","","has coordinates","264242","2021-04-16","08:49:31",""
"4061710","9.9885","0.0009","10.8157","0.0013","13.5361","0.001","99.16","0.01","99","0.007","117.294","0.009","1238.3","0.2","140","2","","","","","","","","","","7","P 1","P 1","1","","","","- C55 H50 B Cl5 O2 P2 Ru -","- C55 H50 B Cl5 O2 P2 Ru -","- C55 H50 B Cl5 O2 P2 Ru -","1","1","","Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario","","Organometallics","2005","","","","","10.1021/om050568m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061711","13.4669","0.0015","14.7201","0.0017","25.264","0.002","90","","90","","90","","5008.2","0.9","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C55 H48 Cl3 F6 O2 P3 Ru -","- C55 H48 Cl3 F6 O2 P3 Ru -","- C220 H192 Cl12 F24 O8 P12 Ru4 -","4","1","","Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario","","Organometallics","2005","","","","","10.1021/om050568m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061712","8.5187","0.0008","8.5187","0.0008","10.819","0.002","90","","90","","120","","679.93","0.15","210","2","210","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C12 H27 B -","- C12 H27 B -","- C24 H54 B2 -","2","0.166667","","","","Organometallics","2005","","","","","10.1021/om050572y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061713","17.762","0.003","10.1219","0.0017","17.929","0.003","90","","120.342","0.003","90","","2781.9","0.8","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 Al -","- C12 H27 Al -","- C96 H216 Al8 -","8","2","","","","Organometallics","2005","","","","","10.1021/om050572y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178514","2020-10-21","18:00:00",""
"4061714","15.807","0.008","9.002","0.004","15.455","0.007","90","","100.086","0.01","90","","2165.2","1.8","220","2","220","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C12 H27 Ga -","- C12 H27 Ga -","- C72 H162 Ga6 -","6","1.5","","","","Organometallics","2005","","","","","10.1021/om050572y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178514","2020-10-21","18:00:00",""
"4061715","14.6447","0.0004","9.2183","0.0003","10.9815","0.0003","90","","105.147","0.0014","90","","1431","","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 In -","- C12 H27 In -","- C48 H108 In4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050572y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061716","11.9599","0.0006","18.479","0.0009","15.747","0.0007","90","","92.871","0.002","90","","3475.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 F3 N2 O2 P Rh S -","- C37 H33 F3 N2 O2 P Rh S -","- C148 H132 F12 N8 O8 P4 Rh4 S4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050573q","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061717","18.613","0.0008","10.1753","0.0004","21.6122","0.0011","90","","95.826","0.002","90","","4072.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H35 Cl2 F3 N6 P Rh -","- C44 H35 Cl2 F3 N6 P Rh -","- C176 H140 Cl8 F12 N24 P4 Rh4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050573q","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061718","9.4633","0.0004","14.573","0.0006","14.9666","0.0006","86.404","0.002","83.216","0.002","81.008","0.002","2022.32","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H35 D6 F3 N2 O3 P Rh -","- C47 H41 F3 N2 O3 P Rh -","- C94 H82 F6 N4 O6 P2 Rh2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050573q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061719","29.9171","0.0014","16.2557","0.0007","12.9824","0.0006","90","","95.397","0.002","90","","6285.7","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 Cl6 F24 I2 N4 Rh2 -","- C48 H38 Cl6 F24 I2 N4 Rh2 -","- C192 H152 Cl24 F96 I8 N16 Rh8 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050573q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178514","2020-10-21","18:00:00",""
"4061720","7.9529","0.0006","16.6653","0.0011","30.83","0.002","90","","90","","90","","4086.1","0.5","139","2","139","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","LH2(Et2O)","","","- C50 H52 N2 O4 -","- C50 H52 N2 O4 -","- C200 H208 N8 O16 -","4","1","","","Aluminum derivatives of a new chiral binucleating ligand","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061721","10.2369","0.0009","12.5527","0.0011","21.4906","0.0019","90","","100.301","0.002","90","","2717","0.4","137","2","137","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H76 Al2 N2 O3 -","- C62 H76 Al2 N2 O3 -","- C124 H152 Al4 N4 O6 -","2","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061722","13.1193","0.0006","17.4889","0.0007","22.9015","0.001","90","","90","","90","","5254.6","0.4","140","2","140","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C56 H70 Al4 N2 O3 -","- C56 H70 Al4 N2 O3 -","- C224 H280 Al16 N8 O12 -","4","0.5","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061723","10.2018","0.0003","15.2094","0.0004","19.0889","0.0005","75.454","0.001","76.611","0.001","80.569","0.001","2771.41","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26.25 H42.5 N2.5 O3 Zr -","- C26.25 H42.5 N2.5 O3 Zr -","- C105 H170 N10 O12 Zr4 -","4","2","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om0505817","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061724","11.6927","0.0002","12.8447","0.0003","13.5239","0.0004","93.499","0.001","103.269","0.001","97.669","0.002","1950.37","0.08","120","1","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H47 Cl2 N O2 Ti -","- C46 H47 Cl2 N O2 Ti -","- C92 H94 Cl4 N2 O4 Ti2 -","2","1","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om0505817","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061725","8.9747","0.0002","17.5058","0.0004","17.6712","0.0004","90","","95.063","0.001","90","","2765.48","0.11","150","1","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Cl2 N O2 Ti -","- C27 H35 Cl2 N O2 Ti -","- C108 H140 Cl8 N4 O8 Ti4 -","4","1","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om0505817","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178514","2020-10-21","18:00:00",""
"4061726","8.2126","0.0015","11.844","0.002","15.873","0.003","88.381","0.003","82.016","0.003","87.221","0.003","1526.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H43 N O2 Zr -","- C35 H43 N O2 Zr -","- C70 H86 N2 O4 Zr2 -","2","1","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om0505817","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061727","9.2322","0.0001","16.1665","0.0002","30.086","0.0005","90","","90","","90","","4490.41","0.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H37 N O4 Ti -","- C21 H37 N O4 Ti -","- C168 H296 N8 O32 Ti8 -","8","1","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om0505817","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061728","25.9133","0.0002","21.7844","0.0001","23.7752","0.0002","90","","90","","90","","13421.2","0.17","120","1","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C65 H104 N4 O8 Zr2 -","- C65 H104 N4 O8 Zr2 -","- C520 H832 N32 O64 Zr16 -","8","1","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om0505817","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061729","11.4489","0.0007","13.3757","0.0008","19.6269","0.0012","86.029","0.003","75.552","0.002","67.204","0.002","2681.9","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H53 Ag B7 Fe O3 P3 -","- C58 H53 Ag B7 Fe O3 P3 -","- C116 H106 Ag2 B14 Fe2 O6 P6 -","2","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-","Organometallics","2005","","","","","10.1021/om050584j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061730","16.6125","0.0019","13.5446","0.0017","19.846","0.003","90","","105.643","0.006","90","","4300.2","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 B7 Fe2 N O6 P2 -","- C43 H38 B7 Fe2 N O6 P2 -","- C172 H152 B28 Fe8 N4 O24 P8 -","4","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-","Organometallics","2005","","","","","10.1021/om050584j","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061731","14.9313","0.0018","15.151","0.002","22.761","0.003","90","","103.502","0.005","90","","5006.8","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 B7 Cu Fe O3 P -","- C22 H23 B7 Cu Fe O3 P -","- C176 H184 B56 Cu8 Fe8 O24 P8 -","8","2","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-","Organometallics","2005","","","","","10.1021/om050584j","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061732","10.3282","0.0008","12.3809","0.0009","13.1265","0.001","69.2","0.004","85.465","0.004","65.84","0.003","1427.35","0.19","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H23 B7 Cu Fe2 O6 P -","- C25 H23 B7 Cu Fe2 O6 P -","- C50 H46 B14 Cu2 Fe4 O12 P2 -","2","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-","Organometallics","2005","","","","","10.1021/om050584j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061733","10.5912","0.0013","12.0247","0.0014","22.158","0.003","94.682","0.006","99.077","0.006","113.08","0.006","2531.4","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H23 Ag B7 Fe O3 P -","- C22 H23 Ag B7 Fe O3 P -","- C88 H92 Ag4 B28 Fe4 O12 P4 -","4","2","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-","Organometallics","2005","","","","","10.1021/om050584j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061734","14.847","0.002","14.354","0.002","16.395","0.003","90","","90","","90","","3493.9","0.9","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 B7 Fe2 O6 S -","- C9 H13 B7 Fe2 O6 S -","- C72 H104 B56 Fe16 O48 S8 -","8","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-","Organometallics","2005","","","","","10.1021/om050584j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061735","8.002","0.004","8.815","0.005","15.159","0.008","84.306","0.013","82.306","0.012","67.586","0.013","978.3","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H19 B7 Fe2 O5 S2 -","- C10 H19 B7 Fe2 O5 S2 -","- C20 H38 B14 Fe4 O10 S4 -","2","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-","Organometallics","2005","","","","","10.1021/om050584j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061736","15.1745","0.0003","14.0174","0.0004","21.813","0.0005","90","","105.383","0.001","90","","4473.55","0.19","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Au2 Cl4 O2 P2 S -","- C46 H36 Au2 Cl4 O2 P2 S -","- C184 H144 Au8 Cl16 O8 P8 S4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050588o","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061737","11.5787","0.0002","11.8408","0.0003","18.8233","0.0004","93.407","0.002","93.663","0.001","96.339","0.001","2553.92","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.5 H51 Au2 Cl0.5 O2 P2 -","- C59.5 H51 Au2 Cl0.5 O2 P2 -","- C119 H102 Au4 Cl O4 P4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050588o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061738","13.1872","0.0005","13.3599","0.0006","14.2729","0.0003","65.537","0.002","70.29","0.002","81.152","0.002","2154.46","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H45 Au2 N O3 P2 -","- C49 H45 Au2 N O3 P2 -","- C98 H90 Au4 N2 O6 P4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050588o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061739","12.6303","0.0002","22.1259","0.0005","30.8281","0.0005","90","","96.812","0.001","90","","8554.3","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 Au2 Cl2 O2 P2 -","- C47 H42 Au2 Cl2 O2 P2 -","- C376 H336 Au16 Cl16 O16 P16 -","8","2","","","","Organometallics","2005","","","","","10.1021/om050588o","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061740","12.5812","0.0002","22.3998","0.0003","31.2783","0.0004","90","","97.763","0.001","90","","8734","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Au2 Cl2 O2 P2 -","- C48 H44 Au2 Cl2 O2 P2 -","- C384 H352 Au16 Cl16 O16 P16 -","8","2","","","","Organometallics","2005","","","","","10.1021/om050588o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178514","2020-10-21","18:00:00",""
"4061741","11.7901","0.0004","13.3497","0.0005","30.9329","0.0012","93.601","0.002","95.965","0.002","110.796","0.002","4500.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H40 Au2 F6 O2 P2 -","- C49 H40 Au2 F6 O2 P2 -","- C196 H160 Au8 F24 O8 P8 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050588o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061742","13.538","0.003","16.233","0.004","14.163","0.003","90","","91.48","0.004","90","","3111.3","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 F3 O3 Os P2 S -","- C28 H49 F3 O3 Os P2 S -","- C112 H196 F12 O12 Os4 P8 S4 -","4","1","","Esteruelas, M. A.; López, A. M. L.; Oñate, E.; Royo, E.","A Useful Access to the Chemistry of the Indenyl-Osmium-Triisopropyl Moiety","Organometallics","2005","","","","","10.1021/om050595c","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061743","10.7045","0.0005","11.0933","0.0005","16.4675","0.0008","76.296","0.001","73.862","0.001","72.241","0.001","1764.01","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H53.5 F3 N1.5 O3 Os P2 S -","- C31 H53.5 F3 N1.5 O3 Os P2 S -","- C62 H107 F6 N3 O6 Os2 P4 S2 -","2","1","","Esteruelas, M. A.; López, A. M. L.; Oñate, E.; Royo, E.","A Useful Access to the Chemistry of the Indenyl-Osmium-Triisopropyl Moiety","Organometallics","2005","","","","","10.1021/om050595c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061744","11.4739","0.0005","14.9681","0.0007","15.8888","0.0008","90","","106.019","0.001","90","","2622.8","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H34 F3 N2 O3 Os P S -","- C23 H34 F3 N2 O3 Os P S -","- C92 H136 F12 N8 O12 Os4 P4 S4 -","4","1","","Esteruelas, M. A.; López, A. M. L.; Oñate, E.; Royo, E.","A Useful Access to the Chemistry of the Indenyl-Osmium-Triisopropyl Moiety","Organometallics","2005","","","","","10.1021/om050595c","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061745","8.5037","0.0017","16.545","0.003","20.929","0.004","90","","91.469","0.004","90","","2943.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H51 B F4 Os P2 -","- C27 H51 B F4 Os P2 -","- C108 H204 B4 F16 Os4 P8 -","4","1","","Esteruelas, M. A.; López, A. M. L.; Oñate, E.; Royo, E.","A Useful Access to the Chemistry of the Indenyl-Osmium-Triisopropyl Moiety","Organometallics","2005","","","","","10.1021/om050595c","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061746","11.33","0.002","13.6604","0.001","13.711","0.002","90","","92.02","0.1","90","","2120.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O2 W -","- C22 H32 N2 O2 W -","- C88 H128 N8 O8 W4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050610d","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061747","16.091","0.0018","6.7543","0.0005","16.8063","0.0018","90","","104.422","0.013","90","","1769","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O2 W -","- C60 H76 N8 O8 W4 -","- C60 H76 N8 O8 W4 -","1","0.25","","","","Organometallics","2005","","","","","10.1021/om050610d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178514","2020-10-21","18:00:00",""
"4061748","8.2247","0.0008","8.2247","0.0008","22.586","0.004","90","","90","","120","","1323.2","0.3","143","2","143","2","","","","","","","","5","P 32","P 32","145","","","","- C17 H22 Ir N O4 -","- C17 H22 Ir N O4 -","- C51 H66 Ir3 N3 O12 -","3","1","","","","Organometallics","2005","","","","","10.1021/om050614i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061749","14.685","0.0001","18.1332","0.0001","17.2624","0.0001","90","","90","","90","","4596.74","0.05","143","1","143","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 La -","- C18 H39 Al2 La -","- C144 H312 Al16 La8 -","8","1","","Dietrich, M. H.; Zapilko, C.; Herdtweck, E.; Anwander, R.","Ln(AlMe~4~)~3~ as New Synthetic Precursors in Organolanthanide Chemistry: Efficient Access to Half-Sandwich Hydrocarbyl Complexes","Organometallics","2005","24","23","5767","5771","10.1021/om0506163","","","0.71073","MoKα","","0.0317","0.0222","","","0.0504","0.0537","","","","","","1.059","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061750","7.9442","0.0007","27.055","0.003","7.7879","0.0007","90","","95.843","0.002","90","","1665.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Fe2 O3 P -","- C19 H15 Fe2 O3 P -","- C76 H60 Fe8 O12 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050617v","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061751","8.084","0.007","12.317","0.011","18.743","0.016","90","","100.775","0.014","90","","1833","3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Fe2 O4 P -","- C19 H21 Fe2 O4 P -","- C76 H84 Fe8 O16 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050617v","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061752","12.439","0.0004","16.3588","0.0005","15.7664","0.0006","90","","98.695","0.001","90","","3171.39","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Au Cl4 F N2 -","- C29 H42 Au Cl4 F N2 -","- C116 H168 Au4 Cl16 F4 N8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050619f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061753","10.384","0.007","12.324","0.009","18.056","0.014","74.324","0.016","85.822","0.019","71.84","0.02","2114","3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H44 Ga2 N2 -","- C45 H36 Ga2 N2 -","- C90 H72 Ga4 N4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050623r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061754","10.4027","0.0009","11.5593","0.0012","18.4424","0.0019","89.757","0.002","87.64","0.002","64.239","0.002","1995.3","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H51 Ga2 N2 -","- C44 H51 Ga2 N2 -","- C88 H102 Ga4 N4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050623r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061755","10.21","0.003","11.723","0.003","18.786","0.006","89.051","0.005","86.619","0.007","66.667","0.007","2061","1","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H51 In2 N2 -","- C44 H51 In2 N2 -","- C88 H102 In4 N4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050623r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061756","18.694","0.005","11.968","0.003","19.582","0.004","90","","92.708","0.005","90","","4376.3","1.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Ga2 N4 -","- C46 H58 Ga2 N4 -","- C184 H232 Ga8 N16 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050623r","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061757","10.226","0.003","12.212","0.004","18.225","0.006","90","","101.009","0.009","90","","2234","1.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 In2 N4 -","- C54 H42 In2 N4 -","- C108 H84 In4 N8 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om050623r","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061758","10.6752","0.0016","11.043","0.0016","15.239","0.002","105.029","0.003","108.894","0.003","97.471","0.003","1595.9","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H34 In2 N4 -","- C34 H34 In2 N4 -","- C68 H68 In4 N8 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050623r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061759","12.4949","0.0019","9.1385","0.0012","18.617","0.003","90","","108.656","0.002","90","","2014.1","0.5","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Ga2 N2 O -","- C16 H34 Ga2 N2 O -","- C64 H136 Ga8 N8 O4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050623r","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061760","12.7516","0.0007","14.8279","0.0008","17.0061","0.0009","93.627","0.003","93.813","0.003","100.643","0.003","3143.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H48 Fe N2 -","- C35 H48 Fe N2 -","- C140 H192 Fe4 N8 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050625b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061761","13.241","0.003","12.013","0.003","17.175","0.004","90","","94.036","0.006","90","","2725.2","1","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C60 H90 Fe N4 O -","- C60 H90 Fe N4 O -","- C120 H180 Fe2 N8 O2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050625b","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061762","22.4048","0.0011","9.7729","0.0005","18.3549","0.0008","90","","109.792","0.002","90","","3781.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Fe N2 Si2 -","- C36 H58 Fe N2 Si2 -","- C144 H232 Fe4 N8 Si8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050625b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178514","2020-10-21","18:00:00",""
"4061763","17.2868","0.0009","10.3209","0.0006","19.7337","0.001","90","","114.48","0.003","90","","3204.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 Fe N2 -","- C36 H52 Fe N2 -","- C144 H208 Fe4 N8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050625b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178514","2020-10-21","18:00:00",""
"4061764","13.296","0.001","17.017","0.001","14.262","0.001","90","","94.792","0.005","90","","3215.6","0.8","175","","175","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 N4 Si2 Zr -","- C30 H46 N4 Si2 Zr -","- C120 H184 N16 Si8 Zr4 -","4","1","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","0.0564","","","0.0424","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061765","25.584","0.001","25.584","0.001","8.459","0.001","90","","90","","90","","5536","0.9","175","","175","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C23 H39 Cl N4 Si2 Zr -","- C23 H39 Cl N4 Si2 Zr -","- C184 H312 Cl8 N32 Si16 Zr8 -","8","1","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","0.0692","","","0.0647","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061766","9.8632","0.0004","18.413","0.001","17.507","0.001","90","","90","","90","","3179.4","0.8","170","","170","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C28 H49 N5 Si2 Ti -","- C28 H48.5 N5 Si2 Ti -","- C112 H194 N20 Si8 Ti4 -","4","0.5","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","0.0574","","","0.0434","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061767","9.586","0.001","16.247","0.001","20.632","0.002","90","","103.3","0.01","90","","3127","1","175","","175","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H52 N6 Si2 Zr -","- C25 H52 N6 Si2 Zr -","- C100 H208 N24 Si8 Zr4 -","4","1","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","0.0253","","","0.026","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061768","12.828","0.001","14.178","0.002","31.148","0.003","90","","100.19","0.03","90","","5576","1","175","","175","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H41 Cl N5 Si2 Ta -","- C20 H41 Cl N5 Si2 Ta -","- C160 H328 Cl8 N40 Si16 Ta8 -","8","2","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","0.0246","","","0.0293","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061769","14.8201","0.0005","6.2365","0.0002","16.7248","0.0007","90","","107.934","0.002","90","","1470.7","0.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C56 H96 N8 O8 -","4","1","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061770","11.0613","0.0002","13.2371","0.0002","20.4745","0.0004","107.255","0.0008","95.4488","0.0008","95.4178","0.0009","2826.21","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H88 N4 O4 Si4 Zr2 -","- C22 H44 N2 O2 Si2 Zr -","- C88 H176 N8 O8 Si8 Zr4 -","4","2","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","","","","","","","","","","","","","","","has coordinates","133707","2020-10-21","18:00:00",""
"4061771","10.528","0.0009","15.3837","0.0013","20.2382","0.0017","90","","104.766","0.002","90","","3169.5","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Ir N2 O2 -","- C39 H35 Ir N2 O2 -","- C156 H140 Ir4 N8 O8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050638p","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061772","17.1759","0.0014","17.5288","0.0014","20.9671","0.0016","90","","106.259","0.002","90","","6060.2","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 Ir N2 O4 -","- C37 H31 Ir N2 O4 -","- C296 H248 Ir8 N16 O32 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050638p","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061773","12.409","0.0005","17.369","0.001","28.447","0.0015","90","","90","","90","","6131.2","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H31 Ir N2 O2 -","- C37 H31 Ir N2 O2 -","- C296 H248 Ir8 N16 O16 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050638p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061774","20.955","0.0002","15.525","0.0002","21.825","0.0002","90","","101.271","0.001","90","","6963.31","0.13","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H37 Ir N2 O5 -","- C39 H37 Ir N2 O5 -","- C312 H296 Ir8 N16 O40 -","8","2","","","","Organometallics","2005","","","","","10.1021/om050638p","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061775","10.884","0.005","11.085","0.005","13.831","0.005","104.487","0.005","95.241","0.005","106.719","0.005","1523.2","1.1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H43 F6 O2 P Ru3 -","- C28 H43 F6 O2 P Ru3 -","- C56 H86 F12 O4 P2 Ru6 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050643t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061776","13.9242","0.0011","21.3124","0.0013","10.3496","0.0008","90","","93.597","0.009","90","","3065.3","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H45 B F4 O2 Ru3 -","- C30 H45 B F4 O2 Ru3 -","- C120 H180 B4 F16 O8 Ru12 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050643t","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061777","11.2027","0.0005","19.8105","0.0007","18.6674","0.0009","90","","103.247","0.004","90","","4032.6","0.3","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 B Cl2 F4 N O4 Ru3 -","- C37 H56 B Cl2 F4 N O4 Ru3 -","- C148 H224 B4 Cl8 F16 N4 O16 Ru12 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050643t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178514","2020-10-21","18:00:00",""
"4061778","10.7187","0.0008","11.2686","0.0007","16.9618","0.0012","90","","106.791","0.008","90","","1961.4","0.2","153","2","153","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H56 B Cl2 F4 N O4 Ru3 -","- C36 H56 B Cl2 F4 N O4 Ru3 -","- C72 H112 B2 Cl4 F8 N2 O8 Ru6 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050643t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178514","2020-10-21","18:00:00",""
"4061779","14.534","0.0006","11.1589","0.0004","32.203","0.0013","90","","91.279","0.003","90","","5221.5","0.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H68 Cl2 F6 N O8 P Ru3 -","- C39 H60.5 F6 N O5 P Ru3 -","- C156 H242 F24 N4 O20 P4 Ru12 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050643t","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061780","8.9549","0.0013","12.856","0.002","36.668","0.005","90","","90","","90","","4221.2","1.1","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H47 Cl O9 P2 Ru -","- C44 H46 Cl O9 P2 Ru -","- C176 H184 Cl4 O36 P8 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050664n","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061781","8.947","0.002","12.85","0.003","36.617","0.007","90","","90","","90","","4209.7","1.4","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H47 Cl O9 P2 Ru -","- C44 H46 Cl O9 P2 Ru -","- C176 H184 Cl4 O36 P8 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050664n","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061782","13.2604","0.0004","23.9503","0.0009","13.5294","0.0005","90","","93.164","0.002","90","","4290.3","0.3","173.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H45 Cl N O9 P Ru -","- C49 H44 Cl N O9 P Ru -","- C196 H176 Cl4 N4 O36 P4 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050664n","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061783","8.9268","0.0004","11.6343","0.0004","19.467","0.001","104.4","0.002","100.86","0.002","93.692","0.001","1910","0.2","143.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H43.5 Cl1.5 N O8 P2 Ru -","- C38.5 H43.5 Cl1.5 N O8 P2 Ru -","- C77 H87 Cl3 N2 O16 P4 Ru2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050664n","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061784","7.8719","0.0006","17.5946","0.0014","13.497","0.0011","90","","96.007","0.001","90","","1859.1","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 B N8 O Ru -","- C16 H17 B N8 O Ru -","- C64 H68 B4 N32 O4 Ru4 -","4","1","","Gunnoe, T. Brent; Pittard, Karl A.; Day, Cynthia; Petersen, Jeffrey L.","","Organometallics","2005","","","","","10.1021/om0506668","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061785","10.413","0.002","12.17","0.002","15.495","0.003","90","","106.195","0.003","90","","1885.7","0.6","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 B N8 O Ru -","- C16 H17 B N8 O Ru -","- C64 H68 B4 N32 O4 Ru4 -","4","1","","Gunnoe, T. Brent; Pittard, Karl A.; Cundari, Thomas R.; Petersen, Jeffrey L.; Day, Cynthia S.","","Organometallics","2005","","","","","10.1021/om0506668","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061786","10.6604","0.0002","12.9606","0.0002","19.4184","0.0003","90","","90","","90","","2682.95","0.08","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 Br3 Cl2 N4 O2 Rh -","- C19 H28 Br3 Cl2 N4 O2 Rh -","- C76 H112 Br12 Cl8 N16 O8 Rh4 -","4","1","","Schneider, Nathanaëlle; César, Vincent; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Modular Assembly of a Chiral Bis(oxazolinyl)carbene: A New Meridionally Coordinating Tridentate Spectator Ligand","Organometallics","2005","24","21","4886","4888","10.1021/om0506769","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061787","11.9851","0.0008","15.2813","0.0011","17.947","0.0013","93.092","0.001","102.225","0.001","102.117","0.001","3124.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H79 Cl Os P2 -","- C74 H79 Cl Os P2 -","- C148 H158 Cl2 Os2 P4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0506825","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061788","11.5041","0.001","12.2994","0.0011","17.1061","0.0015","75.982","0.001","84.695","0.001","65.575","0.001","2138.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H48 Cl2 O4 Os P2 -","- C48.5 H42 Cl2 O4 Os P2 -","- C97 H84 Cl4 O8 Os2 P4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0506825","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061789","10.7876","0.0012","13.0788","0.0014","14.71","0.002","114.822","0.002","102.676","0.003","97.487","0.002","1778.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H56 B10 Li4 O5 -","- C25 H56 B10 Li4 O5 -","- C50 H112 B20 Li8 O10 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050683x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061790","12.1948","0.0009","12.2772","0.0009","13.9208","0.001","71.865","0.002","67.168","0.002","84.609","0.002","1824.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H56 B10 Li4 O5 -","- C26 H56 B10 Li4 O5 -","- C52 H112 B20 Li8 O10 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050683x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061791","10.9519","0.0006","13.0868","0.0007","14.9986","0.0008","115.798","0.001","103.912","0.001","95.792","0.001","1825.95","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H58 B10 Li4 O5 -","- C26 H58 B10 Li4 O5 -","- C52 H116 B20 Li8 O10 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050683x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061792","16.93","0.003","11.47","0.002","33.827","0.007","90","","90","","90","","6569","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H52 B10 Na2 O4 -","- C23 H52 B10 Na2 O4 -","- C184 H416 B80 Na16 O32 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050683x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061793","18.991","0.004","15.089","0.003","12.38","0.003","90","","93.09","0.03","90","","3542.4","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H54 B10 Na2 O4 -","- C24 H54 B10 Na2 O4 -","- C96 H216 B40 Na8 O16 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050683x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178514","2020-10-21","18:00:00",""
"4061794","18.0898","0.0009","10.2167","0.0005","15.1416","0.0007","90","","90","","90","","2798.4","0.2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[RuCp(eta^3^-(P,C,C)-PPh~2~CHC-(CH~2~)~3~-eta^2^-(C,C)-CCHNEt~2~)]PF~6~","","","- C28 H33 F6 N P2 Ru -","- C28 H33 F6 N P2 Ru -","- C112 H132 F24 N4 P8 Ru4 -","4","1","","Pavlik, Sonja; Jantscher, Florian; Mereiter, Kurt; Kirchner, Karl","Ruthenium-mediated Insertion of an Unsaturated C4 Unit into the P-N Bond of an Aminophosphine Ligand.","Organometallics","2005","24","21","4899","4901","10.1021/om050688u","","","","","","","","","","","","","","","","","","","","","has coordinates","133699","2020-10-21","18:00:00",""
"4061795","20.491","0.001","9.6657","0.0005","14.5136","0.0007","90","","90","","90","","2874.6","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","[RuCp(eta^1^-(P)-PPh~2~CH=C-(CH~2~)~4~-eta^3^-(C,C,N)-CCHNEt~2~)]PF~6~","","","- C29 H35 F6 N P2 Ru -","- C29 H35 F6 N P2 Ru -","- C116 H140 F24 N4 P8 Ru4 -","4","1","","Pavlik, Sonja; Jantscher, Florian; Mereiter, Kurt; Kirchner, Karl","Ruthenium-mediated Insertion of an Unsaturated C4 Unit into the P-N Bond of an Aminophosphine Ligand.","Organometallics","2005","24","21","4899","4901","10.1021/om050688u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133699","2020-10-21","18:00:00",""
"4061796","12.404","0.002","30.956","0.004","16.505","0.002","90","","90.904","0.002","90","","6336","1","140.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67.5 H80 Cl2 O2 P4 Rh2 -","- C67.5 H76 Cl2 O2 P4 Rh2 -","- C270 H304 Cl8 O8 P16 Rh8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050700i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061797","31.419","0.003","7.516","0.0006","17.707","0.002","90","","93.679","0.001","90","","4172.9","0.6","160.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H64 Cl2 O2 P4 Rh2 -","- C34 H64 Cl2 O2 P4 Rh2 -","- C136 H256 Cl8 O8 P16 Rh8 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050700i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061798","12.854","0.001","13.311","0.002","15.473","0.002","105.193","0.002","95.559","0.002","111.16","0.002","2328.1","0.4","129.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H68 Cl2 N2 O2 P2 Rh2 -","- C41.5 H64 Cl2 N2 O2 P2 Rh2 -","- C83 H128 Cl4 N4 O4 P4 Rh4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050700i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061799","10.7968","0.0004","11.7022","0.0005","12.781","0.0005","70.603","0.002","69.381","0.002","66.31","0.002","1349.37","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H39 Ir N2 -","- C29 H39 Ir N2 -","- C58 H78 Ir2 N4 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050705f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061800","10.2537","0.0003","12.326","0.0005","14.6483","0.0007","84.445","0.003","81.887","0.002","72.518","0.003","1745.27","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H56 Si4 Zr -","- C30 H56 Si4 Zr -","- C60 H112 Si8 Zr2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050705f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061801","11.8294","0.001","19.165","0.0017","16.9639","0.0015","90","","91.796","0.002","90","","3844","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H65 Ir N2 -","- C43 H65 Ir N2 -","- C172 H260 Ir4 N8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050705f","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061802","6.833","0.003","13.633","0.006","7.711","0.003","90","","109.421","0.006","90","","677.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Fe2 O7 S2 -","- C8 H4 Fe2 O7 S2 -","- C16 H8 Fe4 O14 S4 -","2","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218786","2020-10-21","18:00:00",""
"4061803","32.554","0.012","11.294","0.004","13.655","0.005","90","","114.653","0.011","90","","4563","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Fe2 N2 O6 S2 -","- C16 H24 Fe2 N2 O6 S2 -","- C128 H192 Fe16 N16 O48 S16 -","8","1","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061804","11.021","0.007","13.173","0.008","16.851","0.01","90","","90","","90","","2446","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Fe3 O8 S3 -","- C20 H14 Fe3 O8 S3 -","- C80 H56 Fe12 O32 S12 -","4","1","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061805","28.406","0.013","7.598","0.003","15.657","0.007","90","","113.949","0.007","90","","3088","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 Fe4 N2 O12 S4 -","- C22 H12 Fe4 N2 O12 S4 -","- C88 H48 Fe16 N8 O48 S16 -","4","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061806","10.422","0.006","13.454","0.006","14.36","0.008","117.43","0.012","106.307","0.01","94.84","0.01","1660.4","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H42 Cl6 Fe5 O12 P2 S4 -","- C51 H42 Cl6 Fe5 O12 P2 S4 -","- C51 H42 Cl6 Fe5 O12 P2 S4 -","1","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218786","2020-10-21","18:00:00",""
"4061807","33.484","0.012","9.174","0.003","21.475","0.008","90","","109.064","0.005","90","","6235","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H46 Cl2 Fe4 O12 P2 Ru S4 -","- C60 H46 Cl2 Fe4 O12 P2 Ru S4 -","- C240 H184 Cl8 Fe16 O48 P8 Ru4 S16 -","4","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061808","15.931","0.009","18.653","0.011","17.065","0.01","90","","101.361","0.01","90","","4972","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Fe4 O14 P2 S4 -","- C44 H40 Fe4 O14 P2 S4 -","- C176 H160 Fe16 O56 P8 S16 -","4","1","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061809","11.244","0.006","13.596","0.007","15.158","0.007","76.821","0.009","72.85","0.009","81.23","0.008","2146.9","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H37 Cl3 Fe2 N O5 P2 S2 -","- C40 H37 Cl3 Fe2 N O5 P2 S2 -","- C80 H74 Cl6 Fe4 N2 O10 P4 S4 -","2","1","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061810","11.9868","0.0016","12.3812","0.0017","12.543","0.002","90.053","0.017","118.416","0.013","108.96","0.012","1521.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H32 B2 F30 O4 Zr2 -","- C62 H32 B2 F30 O4 Zr2 -","- C62 H32 B2 F30 O4 Zr2 -","1","0.5","","","","Organometallics","2005","","","","","10.1021/om050741e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061811","16.168","0.003","10.617","0.002","21.241","0.004","90","","111.6","0.03","90","","3390","1.2","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","[bis(2,6-dimethoxyphenylcalcium)]3.[calciumoxide].[benzen","","","- C72 H78 Ca4 O13 -","- C72 H78 Ca4 O13 -","- C144 H156 Ca8 O26 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050760o","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061812","9.269","0.005","8.706","0.002","29.196","0.005","90","","93.622","0.004","90","","2351.1","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Mo2 S3 -","- C22 H28 Mo2 S3 -","- C88 H112 Mo8 S12 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050761g","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061813","7.9181","0.0002","13.6483","0.0004","20.6495","0.0006","90","","90","","90","","2231.56","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Mo2 S3 -","- C22 H24.876 Mo2 S3 -","- C88 H99.504 Mo8 S12 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050761g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061814","12.747","0.004","42.414","0.014","9.98","0.003","90","","108.629","0.007","90","","5113","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H89 O1.5 P2 Ru -","- C55 H89 O1.5 P2 Ru -","- C220 H356 O6 P8 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0508482","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061815","10.242","0.002","10.271","0.002","11.162","0.002","81.3","0.03","69.67","0.03","71.66","0.03","1044","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cl N O4 Pd S -","- C18 H26 Cl N O4 Pd S -","- C36 H52 Cl2 N2 O8 Pd2 S2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om058005y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061816","10.939","0.002","11.314","0.002","22.949","0.005","90","","101.84","0.03","90","","2779.8","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl N O8 Pd S -","- C26 H28 Cl N O8 Pd S -","- C104 H112 Cl4 N4 O32 Pd4 S4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om058005y","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061817","10.036","0.0003","17.35","0.0009","23.216","0.0011","90","","111.992","0.003","90","","3748.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Si3 Ti -","- C40 H54 Si3 Ti -","- C160 H216 Si12 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om058038d","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061818","9.951","0.0002","17.526","0.0003","16.931","0.0003","90","","91.47","0.001","90","","2951.82","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Si3 Ti -","- C28 H46 Si3 Ti -","- C112 H184 Si12 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om058038d","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061819","15.167","0.0004","11.327","0.0002","23.486","0.0006","90","","95.515","0.001","90","","4016.14","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Si3 Ti -","- C42 H58 Si3 Ti -","- C168 H232 Si12 Ti4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om058038d","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061820","9.965","0.0001","18.272","0.0002","18.889","0.0003","106.585","0.0007","104.761","0.0007","90.682","0.0008","3174.13","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H50 Si3 Ti -","- C30 H50 Si3 Ti -","- C120 H200 Si12 Ti4 -","4","2","","","","Organometallics","2005","","","","","10.1021/om058038d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061821","35.9376","0.0003","20.8789","0.0002","36.4854","0.0003","90","","96.6974","0.0004","90","","27189.5","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H54 Si3 Ti -","- C32 H54 Si3 Ti -","- C1024 H1728 Si96 Ti32 -","32","4","","","","Organometallics","2005","","","","","10.1021/om058038d","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061822","14.6653","0.0016","12.008","0.0014","15.093","0.0016","90","","114.84","0.005","90","","2412","0.5","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Au2 N2 -","- C24 H30 Au2 N2 -","- C96 H120 Au8 N8 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050418b","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061823","19.1819","0.0014","25.361","0.002","15.9512","0.0011","90","","90","","90","","7759.8","1","133","2","133","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C44 H44 Au2 P2 -","- C44 H44 Au2 P2 -","- C352 H352 Au16 P16 -","8","1","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M; Jones, Peter G.","Gold(I) and Silver(I)/Gold(I) Complexes Derived from C~6~Me~4~(C⋮CH)~2~-1,2","Organometallics","2005","24","19","4666","4675","10.1021/om050418b","","","","","","","","","","","","","","","","","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"4061824","36.7765","0.0016","36.7765","0.0016","14.4639","0.0011","90","","90","","120","","16941.7","1.7","133","2","133","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32.33 H52.33 Au2 Cl N4 -","- C32.3333 H52.3333 Au2 Cl N4 -","- C582 H942 Au36 Cl18 N72 -","18","1","","","","Organometallics","2005","","","","","10.1021/om050418b","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061825","15.0818","0.0008","17.2044","0.0011","42.493","0.003","90.689","0.005","98.936","0.005","102.289","0.005","10630.8","1.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H110 Ag Au4 Cl7 O4 P4 -","- C114 H110 Ag Au4 Cl7 O4 P4 -","- C456 H440 Ag4 Au16 Cl28 O16 P16 -","4","2","","","","Organometallics","2005","","","","","10.1021/om050418b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063336","32.396","0.013","11.514","0.005","18.087","0.007","90","","104.201","0.007","90","","6540","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H8 Cl N2 O17 Ru6 -","- C23.5 H8 Cl N2 O17 Ru6 -","- C188 H64 Cl8 N16 O136 Ru48 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","0.71073","MoKα","","0.0491","0.0397","","","0.0802","0.0881","","","","","","1.208","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4075631","11.1653","0.0017","11.3688","0.0017","13.611","0.002","105.623","0.002","99.448","0.002","113.062","0.002","1458.3","0.4","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N2 O Pd -","- C32 H42 N2 O Pd -","- C64 H84 N4 O2 Pd2 -","2","1","","Kang, Myeongsoon; Sen, Ayusman","Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity","Organometallics","2005","24","14","3508","3515","10.1021/om050126a","","","0.71073","MoKα","","0.0437","0.0358","","","0.0802","0.0833","","","","","","1.05","","","","has coordinates","210320","2020-10-21","18:00:00",""
"4075632","11.9939","0.0016","12.1298","0.0016","13.9255","0.0018","82.955","0.002","69.19","0.002","60.381","0.002","1642.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H44 N2 O Pd -","- C74 H88 N4 O2 Pd2 -","- C74 H88 N4 O2 Pd2 -","1","0.5","","Kang, Myeongsoon; Sen, Ayusman","Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity","Organometallics","2005","24","14","3508","3515","10.1021/om050126a","","","0.71073","MoKα","","0.0577","0.0492","","","0.1041","0.1073","","","","","","1.145","","","","has coordinates","210320","2020-10-21","18:00:00",""
"4075633","10.895","0.002","13.62","0.003","13.959","0.003","64.93","0.003","71.179","0.003","73.707","0.003","1750.7","0.6","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H53 N3 O Pd -","- C36.5 H51 N3 O Pd -","- C73 H102 N6 O2 Pd2 -","2","1","","Kang, Myeongsoon; Sen, Ayusman","Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity","Organometallics","2005","24","14","3508","3515","10.1021/om050126a","","","0.71073","MoKα","","0.0959","0.066","","","0.1557","0.1714","","","","","","1.044","","","","has coordinates","210320","2020-10-21","18:00:00",""
"4075634","8.2205","0.0008","11.1668","0.001","14.1767","0.0013","105.139","0.002","97.409","0.002","110.053","0.002","1145.28","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Fe2 N O4 -","- C26 H21 Fe2 N O4 -","- C52 H42 Fe4 N2 O8 -","2","1","","Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions†","Organometallics","2005","24","5","933","","10.1021/om040101w","","","0.71073","MoKα","","0.0503","0.0386","","","0.0904","0.0948","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075635","7.6928","0.0008","23.428","0.002","13.1081","0.0013","90","","103.787","0.002","90","","2294.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Fe2 N O5 -","- C26 H19 Fe2 N O5 -","- C104 H76 Fe8 N4 O20 -","4","1","","Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions†","Organometallics","2005","24","5","933","","10.1021/om040101w","","","0.71073","MoKα","","0.0811","0.0454","","","0.0749","0.0831","","","","","","0.827","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075636","11.861","0.013","13.882","0.015","14.882","0.015","105.426","0.019","113.33","0.02","93.96","0.02","2126","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Fe2 N O4 -","- C25 H19 Fe2 N O4 -","- C100 H76 Fe8 N4 O16 -","4","2","","Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions†","Organometallics","2005","24","5","933","","10.1021/om040101w","","","0.71073","MoKα","","0.221","0.1111","","","0.2482","0.3061","","","","","","0.892","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075637","17.4782","0.001","13.3877","0.0007","25.9087","0.0015","90","","100.353","0.001","90","","5963.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 Fe4 N2 O11 -","- C60 H52 Fe4 N2 O11 -","- C240 H208 Fe16 N8 O44 -","4","1","","Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions†","Organometallics","2005","24","5","933","","10.1021/om040101w","","","0.71073","MoKα","","0.2163","0.0737","","","0.1765","0.2252","","","","","","0.879","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075638","10.4699","0.001","23.469","0.002","23.67","0.002","90","","90","","90","","5816.1","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H25 Cl2 Fe2 N O4 -","- C28 H25 Cl2 Fe2 N O4 -","- C224 H200 Cl16 Fe16 N8 O32 -","8","1","","Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions†","Organometallics","2005","24","5","933","","10.1021/om040101w","","","0.71073","MoKα","","0.1672","0.0741","","","0.1653","0.2006","","","","","","0.944","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075639","7.727","0.003","13.228","0.005","18.666","0.005","90","","96.02","0.05","90","","1897.4","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H35 F Ni P2 -","- C15 H35 F Ni P2 -","- C60 H140 F4 Ni4 P8 -","4","1","","Cámpora, Juan; Matas, Inmaculada; Palma, Pilar; Graiff, Claudia; Tiripicchio, Antonio","Fluoride Displacement by Lithium Reagents. An Improved Method for the Synthesis of Nickel Hydroxo, Alkoxo, and Amido Complexes","Organometallics","2005","24","12","2827","","10.1021/om0489709","","","1.5418","CuKα","","0.064","0.0581","","","0.1701","0.189","","","","","","1.078","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075640","7.523","0.003","18.015","0.005","7.514","0.003","90.03","0.03","108.2","0.05","101.82","0.04","944.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H36 Ni O P2 -","- C15 H36 Ni O P2 -","- C30 H72 Ni2 O2 P4 -","2","1","","Cámpora, Juan; Matas, Inmaculada; Palma, Pilar; Graiff, Claudia; Tiripicchio, Antonio","Fluoride Displacement by Lithium Reagents. An Improved Method for the Synthesis of Nickel Hydroxo, Alkoxo, and Amido Complexes","Organometallics","2005","24","12","2827","","10.1021/om0489709","","","1.5418","CuKα","","0.0777","0.0595","","","0.1582","0.1725","","","","","","1.037","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075641","10.4761","0.0001","12.1957","0.0001","16.3896","0.0001","109.446","0.0004","92.8248","0.0004","112.449","0.0003","1787.13","0.03","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H38 N3 O2 P Pd -","- C43 H38 N3 O2 P Pd -","- C86 H76 N6 O4 P2 Pd2 -","2","1","","Frey, Guido D.; Schütz, Jan; Herdtweck, Eberhardt; Herrmann, Wolfgang A.","Synthesis and Characterization ofN-Heterocyclic Carbene Phospha-Palladacycles and Their Properties in Heck Catalysis†","Organometallics","2005","24","18","4416","","10.1021/om049001g","","","0.71073","MoKα","","0.0303","0.025","","","0.0563","0.0583","","","","","","1.05","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075642","10.66","0.0001","13.4585","0.0002","38.2426","0.0009","90","","94.103","0.001","90","","5472.51","0.16","123","1","123","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H83 N4 O4 P Pd -","- C59 H83 N4 O4 P Pd -","- C236 H332 N16 O16 P4 Pd4 -","4","1","","Frey, Guido D.; Schütz, Jan; Herdtweck, Eberhardt; Herrmann, Wolfgang A.","Synthesis and Characterization ofN-Heterocyclic Carbene Phospha-Palladacycles and Their Properties in Heck Catalysis†","Organometallics","2005","24","18","4416","","10.1021/om049001g","","","0.71073","MoKα","","0.0554","0.035","","","0.0753","0.0813","","","","","","1.023","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075643","12.6248","0.0001","17.9528","0.0001","27.0927","0.0002","90","","90","","90","","6140.57","0.07","173","1","173","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H38 N3 O2 P Pd -","- C35 H38 N3 O2 P Pd -","- C280 H304 N24 O16 P8 Pd8 -","8","1","","Frey, Guido D.; Schütz, Jan; Herdtweck, Eberhardt; Herrmann, Wolfgang A.","Synthesis and Characterization ofN-Heterocyclic Carbene Phospha-Palladacycles and Their Properties in Heck Catalysis†","Organometallics","2005","24","18","4416","","10.1021/om049001g","","","0.71073","MoKα","","0.0384","0.0291","","","0.0679","0.0717","","","","","","1.035","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075644","9.93","0.002","14.232","0.003","13.832","0.003","90","","96.21","0.03","90","","1943.3","0.7","190","2","190","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","hydridotungstenocene di-tert-butylstannyl chloride","","","- C18 H29 Cl Sn W -","- C18 H29 Cl Sn W -","- C72 H116 Cl4 Sn4 W4 -","4","1","","Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi","1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes","Organometallics","2005","24","16","3897","","10.1021/om049006d","","x-ray","0.71073","MoKα","","0.044","0.035","","","0.067","0.07","","","","","","1.062","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075645","9.952","0.002","13.417","0.003","15.161","0.003","90","","104.23","0.03","90","","1962.3","0.8","190","2","190","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","hydridotungstenocene diphenylstannyl chloride","","","- C22 H21 Cl Sn W -","- C22 H21 Cl Sn W -","- C88 H84 Cl4 Sn4 W4 -","4","1","","Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi","1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes","Organometallics","2005","24","16","3897","","10.1021/om049006d","","x-ray","0.71073","MoKα","","0.026","0.02","","0.041","0.039","0","","","1.022","1.022","1.022","1.022","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075646","14.081","0.0014","9.5502","0.001","15.2488","0.0015","90","","107.834","0.005","90","","1952.1","0.3","190","2","190","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","chlorotungstenocene di-tert-butylstannyl chloride","","","- C18 H28 Cl2 Sn W -","- C18 H28 Cl2 Sn W -","- C72 H112 Cl8 Sn4 W4 -","4","1","","Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi","1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes","Organometallics","2005","24","16","3897","","10.1021/om049006d","","x-ray","0.71073","MoKα","","0.0201","0.0192","","","0.0466","0.047","","","","","","1.174","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075647","15.7779","0.0015","9.1602","0.0009","14.0138","0.0014","90","","90","","90","","2025.4","0.3","190","2","190","2","","","","","","","see text","5","P n a 21","P 2c -2n","33","chlorotungstenocene diphenylstannyl chloride","","","- C22 H20 Cl2 Sn W -","- C22 H20 Cl2 Sn W -","- C88 H80 Cl8 Sn4 W4 -","4","1","","Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi","1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes","Organometallics","2005","24","16","3897","","10.1021/om049006d","","x-ray","0.71073","MoKα","","0.0571","0.0389","","","0.0844","0.0923","","","","","","1.006","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075648","8.1625","0.0008","16.6601","0.0017","17.2325","0.0017","90","","99.078","0.005","90","","2314.1","0.4","190","2","190","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","triphenylstannylhydridotungstenocene","","","- C28 H26 Sn W -","- C28 H26 Sn W -","- C112 H104 Sn4 W4 -","4","1","","Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi","1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes","Organometallics","2005","24","16","3897","","10.1021/om049006d","","x-ray","0.71073","MoKα","","0.0271","0.022","","","0.0479","0.0499","","","","","","1.082","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075649","13.394","0.003","32.088","0.003","10.1033","0.0019","90","","101.743","0.01","90","","4251.4","1.3","170","2","170","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","Compound 1","","","- C91 H102 N2 Si8 -","- C91 H102 N2 Si8 -","- C182 H204 N4 Si16 -","2","0.5","","Amo, Virginia; Andrés, Román; de Jesús, Ernesto; de la Mata, F. Javier; Flores, Juan C.; Gómez, Rafael; Gómez-Sal, M. Pilar; Turner, John F. C.","Neutral and Cationic Aluminum and Titanium Complexes Incorporating Sterically Demanding Organosilicon Ligands","Organometallics","2005","24","10","2331","","10.1021/om049010p","","x-ray","0.71073","MoKα","","0.1203","0.0664","","","0.1389","0.1624","","","","","","0.997","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075650","10.4258","0.0006","13.9196","0.0008","16.9406","0.001","90","","94.861","0.001","90","","2449.6","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 B N7 O3 P W -","- C18 H31 B N7 O3 P W -","- C72 H124 B4 N28 O12 P4 W4 -","4","1","","Graham, Peter M.; Mocella, Christopher J.; Sabat, Michal; Harman, W. Dean","Dihapto-Coordinated Amide, Ester, and Aldehyde Complexes and Their Role in Decarbonylation","Organometallics","2005","24","5","911","","10.1021/om049016e","","","0.71073","MoKα","","0.0443","0.0295","","","0.0598","0.0628","","","","","","0.886","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075651","11.088","0.001","17.28","0.001","19.366","0.001","90","","90","","90","","3710.5","0.4","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H32 Cl4 O4 P2 Pd S -","- C37 H32 Cl4 O4 P2 Pd S -","- C148 H128 Cl16 O16 P8 Pd4 S4 -","4","1","","Piechaczyk, Olivier; Doux, Marjolaine; Ricard, Louis; le Floch, Pascal","Synthesis of 1-Phosphabarrelene Phosphine Sulfide Substituted Palladium(II) Complexes: Application in the Catalyzed Suzuki Cross-Coupling Process and in the Allylation of Secondary Amines","Organometallics","2005","24","6","1204","","10.1021/om0490278","","","0.71069","MoKα","","0.0522","0.0347","","","0.0723","0.0903","","","","","","1.008","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075652","9.849","0.001","11.222","0.001","19.069","0.001","92.47","0.001","101.44","0.001","109.46","0.001","1934.1","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 F3 O7 P2 Pd S2 -","- C40 H35 F3 O7 P2 Pd S2 -","- C80 H70 F6 O14 P4 Pd2 S4 -","2","1","","Piechaczyk, Olivier; Doux, Marjolaine; Ricard, Louis; le Floch, Pascal","Synthesis of 1-Phosphabarrelene Phosphine Sulfide Substituted Palladium(II) Complexes: Application in the Catalyzed Suzuki Cross-Coupling Process and in the Allylation of Secondary Amines","Organometallics","2005","24","6","1204","","10.1021/om0490278","","","0.71069","MoKα","","0.045","0.0342","","","0.0911","0.0959","","","","","","1.03","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075653","15.57","0.001","9.219","0.001","20.365","0.001","90","","90","","90","","2923.2","0.4","150","0.1","150","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C116 H108 F12 O12 P8 Pd4 S8 -","- C116 H108 F12 O12 P8 Pd4 S8 -","- C116 H108 F12 O12 P8 Pd4 S8 -","1","0.25","","Piechaczyk, Olivier; Doux, Marjolaine; Ricard, Louis; le Floch, Pascal","Synthesis of 1-Phosphabarrelene Phosphine Sulfide Substituted Palladium(II) Complexes: Application in the Catalyzed Suzuki Cross-Coupling Process and in the Allylation of Secondary Amines","Organometallics","2005","24","6","1204","","10.1021/om0490278","","","0.71069","MoKα","","0.0428","0.0332","","","0.08","0.085","","","","","","1.012","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075654","11.9217","0.0002","13.2905","0.0002","13.4317","0.0002","89.254","0.001","72.703","0.001","71.976","0.001","1924.91","0.05","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C84 H116 Ca2 N4 -","- C84 H116 Ca2 N4 -","- C84 H116 Ca2 N4 -","1","0.5","","Avent, Anthony G.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.","Dimerization of β-Diketiminato Calcium Complexes through Dihapto-Acetylide Ligation","Organometallics","2005","24","6","1184","","10.1021/om0490334","","x-ray","0.71073","MoKα","","0.0506","0.0445","","","0.1128","0.1173","","","","","","1.032","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075655","14.9183","0.0003","13.1452","0.0002","18.3729","0.0004","90","","103.916","0.001","90","","3497.25","0.12","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H96 Ca2 N4 -","- C76 H96 Ca2 N4 -","- C152 H192 Ca4 N8 -","2","0.5","","Avent, Anthony G.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.","Dimerization of β-Diketiminato Calcium Complexes through Dihapto-Acetylide Ligation","Organometallics","2005","24","6","1184","","10.1021/om0490334","","x-ray","0.71073","MoKα","","0.0533","0.0414","","","0.1012","0.1088","","","","","","1.06","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075656","15.0572","0.0003","13.0076","0.0003","17.5209","0.0004","90","","100.482","0.001","90","","3374.34","0.13","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H92 Ca2 N4 -","- C74 H92 Ca2 N4 -","- C148 H184 Ca4 N8 -","2","0.5","","Avent, Anthony G.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.","Dimerization of β-Diketiminato Calcium Complexes through Dihapto-Acetylide Ligation","Organometallics","2005","24","6","1184","","10.1021/om0490334","","x-ray","0.71073","MoKα","","0.0476","0.0398","","","0.0982","0.1034","","","","","","1.03","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075657","10.2757","0.0007","20.0438","0.0014","22.3224","0.0015","90","0.002","90","0.002","90","0.002","4597.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[PdCl(C3H5)(3,5-di-t-butylphenyl-MOP)]","","","- C51 H54 Cl P Pd -","- C51 H54 Cl P Pd -","- C204 H216 Cl4 P4 Pd4 -","4","1","","Kumar, P. G. Anil; Dotta, Pascal; Hermatschweiler, René; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia","Bonding in Palladium(II) and Platinum(II) Allyl MeO- and H-MOP Complexes. Subtle Differences via13C NMR","Organometallics","2005","24","6","1306","","10.1021/om049039t","","","0.71069","MoKα","","0.067","0.0405","","","0.09","0.1012","","","","","","1.029","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075658","7.585","0.003","39.428","0.004","9.54","0.003","90","","110.67","0.02","90","","2669.4","1.4","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H34 O P2 Pt -","- C29 H34 O P2 Pt -","- C116 H136 O4 P8 Pt4 -","4","1","","Pantcheva, Ivayla; Nishihara, Yasushi; Osakada, Kohtaro","Arylplatinum Complexes with Arylboronate Ligands. Their Preparation, Structure, and Relevance to Transmetalation","Organometallics","2005","24","16","3815","","10.1021/om049050t","","","0.7107","MoKα","","0.0354","0.035","","0.035","","0.035","","","1.388","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075659","13.683","0.009","9.43","0.003","23.089","0.005","90","","92.1","0.03","90","","2977","2","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 B O3 P2 Pt -","- C29 H35 B O3 P2 Pt -","- C116 H140 B4 O12 P8 Pt4 -","4","1","","Pantcheva, Ivayla; Nishihara, Yasushi; Osakada, Kohtaro","Arylplatinum Complexes with Arylboronate Ligands. Their Preparation, Structure, and Relevance to Transmetalation","Organometallics","2005","24","16","3815","","10.1021/om049050t","","","0.7107","MoKα","","0.0543","0.054","","0.046","","0.046","","","2.591","","","2.59","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075660","11.0322","0.0012","11.7494","0.0013","16.8982","0.0018","102.092","0.002","91.235","0.002","117.825","0.002","1876","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H60 Cl N Os P2 Sn -","- C37 H60 Cl N Os P2 Sn -","- C74 H120 Cl2 N2 Os2 P4 Sn2 -","2","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique","C(sp2)−H Activation of RCHE−py (E = CH, N) and RCHCHC(O)R‘ Substrates Promoted by a Highly Unsaturated Osmium−Monohydride Complex","Organometallics","2005","24","7","1428","","10.1021/om049064z","","","0.71073","MoKα","","0.0362","0.0278","","","0.0403","0.0417","","","","","","0.782","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075661","10.5516","0.0008","19.3519","0.0014","17.6856","0.0013","90","","94.708","0.001","90","","3599.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H59 Cl O Os P2 Sn -","- C34 H59 Cl O Os P2 Sn -","- C136 H236 Cl4 O4 Os4 P8 Sn4 -","4","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique","C(sp2)−H Activation of RCHE−py (E = CH, N) and RCHCHC(O)R‘ Substrates Promoted by a Highly Unsaturated Osmium−Monohydride Complex","Organometallics","2005","24","7","1428","","10.1021/om049064z","","","0.71073","MoKα","","0.0225","0.0185","","","0.0373","0.038","","","","","","0.944","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075662","12.335","0.001","13.648","0.001","17.643","0.001","90","","90","","90","","2970.2","0.4","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Cl2 N P2 Pd -","- C33 H31 Cl2 N P2 Pd -","- C132 H124 Cl8 N4 P8 Pd4 -","4","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0446","0.0337","","","0.0772","0.0819","","","","","","1.008","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075663","9.545","0.001","10.556","0.001","18.181","0.001","93.142","0.001","102.686","0.001","106.809","0.001","1697","0.3","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C37 H39 Br Cl N O2 P2 Pd -","- C37 H39 Br Cl N O2 P2 Pd -","- C74 H78 Br2 Cl2 N2 O4 P4 Pd2 -","2","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0378","0.0312","","","0.0834","0.0863","","","","","","1.021","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075664","11.36","0.001","14.822","0.001","17.095","0.001","90","","105.17","0.001","90","","2778.1","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Cl2 N P2 Pd -","- C31 H27 Cl2 N P2 Pd -","- C124 H108 Cl8 N4 P8 Pd4 -","4","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0489","0.0341","","","0.0883","0.0939","","","","","","1.019","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075665","12.322","0.001","13.667","0.001","17.679","0.001","90","","90","","90","","2977.2","0.4","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Br0.16 Cl1.84 N P2 Pd -","- C33 H31 Br0.163 Cl1.837 N P2 Pd -","- C132 H124 Br0.652 Cl7.348 N4 P8 Pd4 -","4","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0604","0.0398","","","0.0854","0.093","","","","","","1.005","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075666","8.501","0.001","16.337","0.001","13.545","0.001","90","","94.05","0.001","90","","1876.4","0.3","150","0.1","150","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H41 Br Cl3 N O P2 Pt -","- C38 H41 Br Cl3 N O P2 Pt -","- C76 H82 Br2 Cl6 N2 O2 P4 Pt2 -","2","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0456","0.039","","","0.0963","0.1001","","","","","","1.005","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075667","12.41","0.001","12.644","0.001","21.681","0.001","75.6","0.001","75.85","0.001","81.04","0.001","3178.8","0.4","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C64.5 H59 Br Cl6 N2 P4 Pt -","- C64 H58 Br Cl5 N2 P4 Pt -","- C128 H116 Br2 Cl10 N4 P8 Pt2 -","2","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0486","0.0379","","","0.0973","0.1012","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075668","19.997","0.001","9.79","0.001","17.67","0.001","90","","95.4","0.001","90","","3443.9","0.4","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Br2 N Ni O2 P2 -","- C37 H39 Br2 N Ni O2 P2 -","- C148 H156 Br8 N4 Ni4 O8 P8 -","4","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0542","0.035","","","0.0843","0.0903","","","","","","1.039","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075669","9.4166","0.0008","10.8851","0.001","11.6734","0.001","87.828","0.002","76.033","0.002","65.899","0.002","1057.45","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H4 F24 Hg6 O2 -","- C42 H4 F24 Hg6 O2 -","- C42 H4 F24 Hg6 O2 -","1","0.5","","Tikhonova, Irina A.; Dolgushin, Fedor M.; Yakovenko, Andrey A.; Tugashov, Kirill I.; Petrovskii, Pavel V.; Furin, Georgy G.; Shur, Vladimir B.","Binding of Dienophiles by Macrocyclic Multidentate Lewis Acids. Synthesis and X-ray Crystal Structure Determination of Unusual Complexes of Cyclic Trimeric Perfluoro-o-phenylenemercury withp-Benzoquinone and Maleic Anhydride","Organometallics","2005","24","14","3395","","10.1021/om0490738","","","0.71073","MoKα","","0.1016","0.0574","","","0.1258","0.1378","","","","","","0.972","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075670","9.4235","0.0005","10.1101","0.0005","13.3638","0.0007","104.821","0.001","108.918","0.001","92.554","0.001","1152.99","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H4 F24 Hg6 O6 -","- C44 H4 F24 Hg6 O6 -","- C44 H4 F24 Hg6 O6 -","1","0.5","","Tikhonova, Irina A.; Dolgushin, Fedor M.; Yakovenko, Andrey A.; Tugashov, Kirill I.; Petrovskii, Pavel V.; Furin, Georgy G.; Shur, Vladimir B.","Binding of Dienophiles by Macrocyclic Multidentate Lewis Acids. Synthesis and X-ray Crystal Structure Determination of Unusual Complexes of Cyclic Trimeric Perfluoro-o-phenylenemercury withp-Benzoquinone and Maleic Anhydride","Organometallics","2005","24","14","3395","","10.1021/om0490738","","","0.71073","MoKα","","0.0499","0.0406","","","0.0972","0.1007","","","","","","1.054","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075671","27.939","0.015","9.226","0.005","37.232","0.002","90","0","108.006","0.017","90","0","9127","7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Methyl cobalt(III) Mesitylglyoxime Pyridine","trans-bis(dimesitylglyoximato)-methyl-(pyridine)-cobalt(III)","","- C94 H112 Cl4 Co2 N10 O8 -","- C94 H112 Cl4 Co2 N10 O8 -","- C376 H448 Cl16 Co8 N40 O32 -","4","0.5","","Mandal, Debaprasad; Gupta, B. D.","Cobaloximes with Dimesitylglyoxime: Synthesis, Characterization, and Spectral Correlations with the Related Cobaloximes","Organometallics","2005","24","7","1501","1510","10.1021/om049096m","","","0.71073","MoKα","","0.1014","0.0689","","","0.1621","0.1806","","","","","","1.017","","","","has coordinates","219026","2020-10-21","18:00:00",""
"4075672","27.776","0.008","9.071","0.002","36.827","0.01","90","0","108.043","0.006","90","0","8822","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Chloro cobalt(III) Mesitylglyoxime Pyridine","trans-bis(dimesitylglyoximato)-chloro-(pyridine)-cobalt(III)","","- C94 H108 Cl2 Co2 N12 O8 -","- C94 H108 Cl2 Co2 N12 O8 -","- C376 H432 Cl8 Co8 N48 O32 -","4","0.5","","Mandal, Debaprasad; Gupta, B. D.","Cobaloximes with Dimesitylglyoxime: Synthesis, Characterization, and Spectral Correlations with the Related Cobaloximes","Organometallics","2005","24","7","1501","1510","10.1021/om049096m","","","0.71073","MoKα","","0.1634","0.0837","","","0.1683","0.2004","","","","","","1.003","","","","has coordinates","219026","2020-10-21","18:00:00",""
"4075673","27.579","0.017","9.116","0.005","36.61","0.002","90","0","108.493","0.002","90","0","8729","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Bromo cobalt(III) Mesitylglyoxime Pyridine","trans-bis(dimesitylglyoximato)-bromo-(pyridine)-cobalt(III)","","- C92 H106 Br2 Cl4 Co2 N10 O8 -","- C92 H106 Br2 Cl4 Co2 N10 O8 -","- C368 H424 Br8 Cl16 Co8 N40 O32 -","4","0.5","","Mandal, Debaprasad; Gupta, B. D.","Cobaloximes with Dimesitylglyoxime: Synthesis, Characterization, and Spectral Correlations with the Related Cobaloximes","Organometallics","2005","24","7","1501","1510","10.1021/om049096m","","","0.71073","MoKα","","0.0935","0.0727","","","0.2119","0.2268","","","","","","1.053","","","","has coordinates","219026","2020-10-21","18:00:00",""
"4075674","12.515","0.002","25.187","0.003","14.685","0.002","90","","90","","90","","4628.9","1.1","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C46 H58 P2 Pt -","- C46 H10 P2 Pt -","- C184 H40 P8 Pt4 -","4","0.5","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.1806","0.0728","","","0.1748","0.2185","","","","","","1.002","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075675","43.088","0.006","9.179","0.003","33.478","0.004","90","","94.949","0.011","90","","13191","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H88 I2 P4 Pt2 -","- C58 I2 P4 Pt2 -","- C464 I16 P32 Pt16 -","8","1","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.7107","MoKα","","0.1571","0.0686","","","0.1896","0.2199","","","","","","0.96","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075676","13.6001","0.0016","13.7981","0.0016","14.8932","0.0018","76.349","0.002","62.971","0.002","81.647","0.002","2416.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H116 P4 Pt2 -","- C102 H116 P4 Pt2 -","- C102 H116 P4 Pt2 -","1","0.5","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.0911","0.0523","","","0.1068","0.1211","","","","","","0.993","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075677","16.672","0.003","14.112","0.003","25.808","0.005","90","","101.914","0.004","90","","5941","2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C71 H52 P2 Pt -","- C71 H52 P2 Pt -","- C284 H208 P8 Pt4 -","4","1","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.2169","0.0828","","","0.1651","0.2211","","","","","","0.95","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075678","26.1543","0.0014","15.383","0.0008","31.5394","0.0017","90","","90","","90","","12689.3","1.2","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H73 O2 P2 Pt -","- C78 H73 O2 P2 Pt -","- C624 H584 O16 P16 Pt8 -","8","1","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.0978","0.0509","","","0.1009","0.1116","","","","","","1.017","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075679","15.1666","0.0005","10.3529","0.0003","28.4724","0.0009","90","","104.947","0.001","90","","4319.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H126 O2 P4 Pt2 -","- C94 H126 O2 P4 Pt2 -","- C188 H252 O4 P8 Pt4 -","2","0.5","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.0458","0.0313","","","0.0656","0.0715","","","","","","1.028","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075680","10.0479","0.0005","16.5098","0.0007","17.2911","0.0008","75.252","0.001","74.988","0.001","77.954","0.001","2647.8","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H98 Cl4 O2 P4 Pt2 -","- C126 H98 Cl4 O2 P4 Pt2 -","- C126 H98 Cl4 O2 P4 Pt2 -","1","0.5","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.0677","0.0504","","","0.1238","0.1398","","","","","","1.04","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075681","8.853","0.001","17.016","0.001","14.01","0.002","90","","100.385","0.01","90","","2075.9","0.4","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Salme*)(Salme*-H)SiPh","(N,O)-N-Methyl-o-oxyacetophenoneiminato-(N',O')-N'-methyl-N'-1-(2-oxyphenyl)- vinylaminatophenylsilicon","","- C24 H24 N2 O2 Si -","- C24 H24 N2 O2 Si -","- C96 H96 N8 O8 Si4 -","4","1","","Wagler, Jörg; Böhme, Uwe; Brendler, Erica; Roewer, Gerhard","Equilibrium between Tetra-, Penta-, and Hexacoordinate Imine and Enamine Chelates of Silicon: Crystal Structure and Variable-Temperature NMR","Organometallics","2005","24","6","1348","","10.1021/om049115s","","","0.71073","MoKα","","0.0663","0.04","","","0.0942","0.1033","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075682","11.889","0.002","21.871","0.004","12.464","0.003","90","","101.94","0.03","90","","3170.8","1.2","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Salme*)3SiPh*1/2p-Xylene","Tris-(2-oxyacetophenone-N-methyliminato)phenylsilane p-Xylene solvate","","- C37 H40 N3 O3 Si -","- C37 H40 N3 O3 Si -","- C148 H160 N12 O12 Si4 -","4","1","","Wagler, Jörg; Böhme, Uwe; Brendler, Erica; Roewer, Gerhard","Equilibrium between Tetra-, Penta-, and Hexacoordinate Imine and Enamine Chelates of Silicon: Crystal Structure and Variable-Temperature NMR","Organometallics","2005","24","6","1348","","10.1021/om049115s","","","0.71073","MoKα","","0.0729","0.0475","","","0.1014","0.111","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075683","9.5729","0.0003","13.1585","0.0005","17.0702","0.0006","90","","90","","90","","2150.25","0.13","293","2","293","2","","","","","","","Synthesis. Crystallization from a CH~2~Cl~2~ / hexanes solution at room temperature by slow liquid-liquid difussion.","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O8 Ru3 -","- C16 H14 N2 O8 Ru3 -","- C64 H56 N8 O32 Ru12 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Martínez-Méndez, Lorena; Pérez-Carreño, Enrique","η2-Edge-Bridging and η3-Face-Capping Coordination of Conjugated Ynenyl Ligands in Triruthenium Carbonyl Cluster Complexes Derived from 1,1-Dimethylhydrazine","Organometallics","2005","24","5","831","","10.1021/om049119x","","","1.5418","CuKα","","0.0528","0.0453","","","0.1048","0.1081","","","","","","0.935","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075684","9.5945","0.0003","12.305","0.0003","13.4399","0.0004","78.326","0.002","89.038","0.002","78.554","0.002","1522.54","0.08","120","2","120","2","","","","","","","Synthesis. Crystallization from a CH~2~Cl~2~ / hexanes solution at room temperature by slow liquid-liquid difussion.","5","P -1","-P 1","2","","","","- C29 H25 N2 O8 Ru3 -","- C29 H25 N2 O8 Ru3 -","- C58 H50 N4 O16 Ru6 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Martínez-Méndez, Lorena; Pérez-Carreño, Enrique","η2-Edge-Bridging and η3-Face-Capping Coordination of Conjugated Ynenyl Ligands in Triruthenium Carbonyl Cluster Complexes Derived from 1,1-Dimethylhydrazine","Organometallics","2005","24","5","831","","10.1021/om049119x","","","1.5418","CuKα","","0.0542","0.0513","","","0.1349","0.1378","","","","","","1.021","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075685","7.626","0.0016","28.235","0.004","10.4316","0.0017","90","","90","","90","","2246.1","0.7","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H24 Br O P Pd -","- C26 H24 Br O P Pd -","- C104 H96 Br4 O4 P4 Pd4 -","4","1","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.0701","0.0613","","","0.1661","0.1732","","","","","","1.069","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075686","12.873","0.001","10.995","0.001","19.49","0.003","90","","106.92","0.01","90","","2639.2","0.5","160","2","160","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H52 Cl6 O2 P2 Pd2 -","- C54 H52 Cl6 O2 P2 Pd2 -","- C108 H104 Cl12 O4 P4 Pd4 -","2","0.5","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.0343","0.0292","","","0.0721","0.0754","","","","","","1.035","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075687","12.047","0.001","15.569","0.002","13.581","0.002","90","","112.96","0.01","90","","2345.4","0.5","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H48 Cl2 O2 P2 Pd2 -","- C53 H48 Cl2 O2 P2 Pd2 -","- C106 H96 Cl4 O4 P4 Pd4 -","2","0.5","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.0801","0.051","","","0.1213","0.1396","","","","","","0.98","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075688","8.782","0.005","12.163","0.005","12.816","0.005","99.9","0.005","95.56","0.005","103.68","0.005","1296.7","1","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 Cl2 O2 P2 Pd2 -","- C59 H60 Cl1.98 O2 P2 Pd2 -","- C59 H60 Cl1.98 O2 P2 Pd2 -","1","0.5","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71069","MoKα","","0.1179","0.1055","","","0.257","0.2678","","","","","","2.078","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075689","11.878","0.005","14.902","0.004","22.507","0.007","90","","95.42","0.04","90","","3966","2","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 Cl2 I O P2 Pd -","- C44 H39 Cl2 I O P2 Pd -","- C176 H156 Cl8 I4 O4 P8 Pd4 -","4","1","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.1329","0.0748","","","0.1731","0.2064","","","","","","1.008","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075690","10.36","0.001","18.713","0.005","23.102","0.003","90","","90","","90","","4478.7","1.4","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C46 H43 Cl4 I O P2 Pd -","- C46 H43 Cl4 I O P2 Pd -","- C184 H172 Cl16 I4 O4 P8 Pd4 -","4","0.5","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.0975","0.0626","","","0.1417","0.1621","","","","","","1.013","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075691","10.848","0.002","14.295","0.003","24.476","0.005","75.34","0.02","88.9","0.02","89.17","0.02","3671.1","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H39 I O P2 Pd -","- C44 H39.25 I O P2 Pd -","- C176 H157 I4 O4 P8 Pd4 -","4","2","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.126","0.1129","","","0.2677","0.2702","","","","","","2.438","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075692","10.3038","0.0011","11.9421","0.0014","14.743","0.002","67.594","0.009","71.833","0.011","89.336","0.011","1581.6","0.4","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H62 Cl8 O8 P2 Pd2 -","- C60 H60 Cl8 O8 P2 Pd2 -","- C60 H60 Cl8 O8 P2 Pd2 -","1","0.5","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.0544","0.0435","","","0.1061","0.1119","","","","","","1.059","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075693","16.7591","0.0014","11.2544","0.0009","17.1493","0.0015","90","","102.501","0.002","90","","3157.9","0.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H42 Cl3 O P2 Rh -","- C32 H42 Cl3 O P2 Rh -","- C128 H168 Cl12 O4 P8 Rh4 -","4","1","","Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G.","Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue","Organometallics","2005","24","3","335","","10.1021/om049136m","","","0.71073","MoKα","","0.0329","0.0286","","","0.0615","0.063","","","","","","1.013","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075694","16.725","0.002","11.2189","0.0019","17.095","0.003","90","","102.016","0.015","90","","3137.4","0.9","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H42 Cl4 P2 Pd -","- C31 H42 Cl4 P2 Pd -","- C124 H168 Cl16 P8 Pd4 -","4","1","","Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G.","Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue","Organometallics","2005","24","3","335","","10.1021/om049136m","","","0.71073","MoKα","","0.041","0.0329","","","0.0644","0.0664","","","","","","0.98","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075695","10.999","0.005","20.439","0.006","27.982","0.008","88.06","0.03","80.25","0.03","74.94","0.03","5986","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H45 Cl2 Ni O0.5 P2 -","- C32 H45 Cl2 Ni O0.5 P2 -","- C256 H360 Cl16 Ni8 O4 P16 -","8","4","","Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G.","Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue","Organometallics","2005","24","3","335","","10.1021/om049136m","","","0.71073","MoKα","","0.1501","0.0683","","","0.1264","0.1542","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075696","11.1266","0.0015","19.528","0.002","12.6119","0.0019","90","","93.267","0.009","90","","2735.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cl2 P2 Pt -","- C30 H40 Cl2 P2 Pt -","- C120 H160 Cl8 P8 Pt4 -","4","1","","Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G.","Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue","Organometallics","2005","24","3","335","","10.1021/om049136m","","","0.71073","MoKα","","0.038","0.0239","","","0.0477","0.05","","","","","","0.931","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075697","10.284","0.004","23.343","0.005","16.066","0.003","90","","97.56","0.03","90","","3823.3","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Cl Ir N4 P2 -","- C44 H38 Cl Ir N4 P2 -","- C176 H152 Cl4 Ir4 N16 P8 -","4","1","","Tejel, Cristina; Ciriano, Miguel A.; Jiménez, Sonia; Oro, Luis A.; Graiff, Claudia; Tiripicchio, Antonio","Reactions of Phosphine Ligands with Iridium Complexes Leading to C(sp3)−H Bond Activation","Organometallics","2005","24","6","1105","","10.1021/om049142i","","","0.71073","MoKα","","0.1371","0.037","","","0.0822","0.1413","","","","","","0.597","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075698","12.0195","0.0011","24.292","0.002","14.2557","0.0011","90","","102.308","0.004","90","","4066.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H55 Li2 N2 O2 P -","- C46 H55 Li2 N2 O2 P -","- C184 H220 Li8 N8 O8 P4 -","4","1","","MacLachlan, Erin A.; Fryzuk, Michael D.","A New Arene-Bridged Diamidophosphine Ligand and Its Coordination Chemistry with Zirconium(IV)","Organometallics","2005","24","6","1112","","10.1021/om049165x","","","0.71073","MoKα","","0.0877","0.051","","","0.125","0.1411","","","","","","1.044","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075699","44.638","0.002","10.8958","0.0005","19.4505","0.0009","90","","94.334","0.002","90","","9433","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H54 Cl2 N2 P Zr -","- C53 H53 Cl2 N2 P Zr -","- C424 H424 Cl16 N16 P8 Zr8 -","8","1","","MacLachlan, Erin A.; Fryzuk, Michael D.","A New Arene-Bridged Diamidophosphine Ligand and Its Coordination Chemistry with Zirconium(IV)","Organometallics","2005","24","6","1112","","10.1021/om049165x","","","0.71073","MoKα","","0.0701","0.0505","","","0.1252","0.1379","","","","","","1.163","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075700","10.146","0.003","15.736","0.005","34.459","0.012","90","","90","","90","","5502","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 Ir O5 S2 -","- C17 H25 B10 Co2 Ir O5 S2 -","- C136 H200 B80 Co16 Ir8 O40 S16 -","8","1","","Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin","Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands","Organometallics","2005","24","5","826","","10.1021/om049185z","","","0.71073","MoKα","","0.0491","0.0381","","","0.0935","0.0986","","","","","","1.208","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075701","10.154","0.003","16.051","0.004","34.606","0.01","90","","90","","90","","5640","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 Ir O5 Se2 -","- C17 H25 B10 Co2 Ir O5 Se2 -","- C136 H200 B80 Co16 Ir8 O40 Se16 -","8","1","","Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin","Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands","Organometallics","2005","24","5","826","","10.1021/om049185z","","","0.71073","MoKα","","0.0719","0.049","","","0.0964","0.113","","","","","","1.168","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075702","18.076","0.007","14.012","0.005","19.787","0.007","90","","90","","90","","5012","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B10 Fe Ir O3 Se2 -","- C15 H25 B10 Fe Ir O3 Se2 -","- C120 H200 B80 Fe8 Ir8 O24 Se16 -","8","1","","Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin","Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands","Organometallics","2005","24","5","826","","10.1021/om049185z","","","0.71073","MoKα","","0.0577","0.0314","","","0.0648","0.0769","","","","","","1.062","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075703","17.911","0.004","18.56","0.004","11.32","0.002","90","","105.69","0.03","90","","3622.9","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H108 Ge2 K2 O12 Si6 -","- C52 H108 Ge2 K2 O12 Si6 -","- C104 H216 Ge4 K4 O24 Si12 -","2","0.5","","Fischer, Jelena; Baumgartner, Judith; Marschner, Christoph","Silylgermylpotassium Compounds","Organometallics","2005","24","6","1263","","10.1021/om0491894","","","0.71073","MoKα","","0.1128","0.0846","","","0.1947","0.212","","","","","","1.073","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075704","11.906","0.002","19.793","0.004","20.304","0.004","114.5","0.03","91.99","0.03","102.03","0.03","4218.7","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H88 Ge2 K2 O12 Si4 -","- C40 H88 Ge2 K2 O12 Si4 -","- C120 H264 Ge6 K6 O36 Si12 -","3","1.5","","Fischer, Jelena; Baumgartner, Judith; Marschner, Christoph","Silylgermylpotassium Compounds","Organometallics","2005","24","6","1263","","10.1021/om0491894","","","0.71073","MoKα","","0.0707","0.0522","","","0.1399","0.1506","","","","","","1.031","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4075705","15.901","0.003","9.5497","0.0019","22.498","0.005","90","","92.68","0.03","90","","3412.6","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H54 Ge2 Si6 Sn -","- C18 H54 Ge2 Si6 Sn -","- C72 H216 Ge8 Si24 Sn4 -","4","0.5","","Fischer, Jelena; Baumgartner, Judith; Marschner, Christoph","Silylgermylpotassium Compounds","Organometallics","2005","24","6","1263","","10.1021/om0491894","","","0.71073","MoKα","","0.0985","0.0918","","","0.2229","0.2252","","","","","","1.219","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075706","35.081","0.012","8.798","0.003","16.104","0.006","90","","103.27","0.02","90","","4838","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H33 Mo2 O2 P -","- C24 H33 Mo2 O2 P -","- C192 H264 Mo16 O16 P8 -","8","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio","A Triply Bonded Dimolybdenum Hydride Complex with Acid, Base and Radical Activity","Organometallics","2005","24","1","7","","10.1021/om0491948","","","0.71073","MoKα","","0.1709","0.0585","","","0.1121","0.1453","","","","","","0.874","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075707","10.1","0.006","11.745","0.007","13.815","0.009","105.9","0.02","98.26","0.02","107.56","0.02","1456.2","1.6","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H42 Mo2 N O2 P -","- C29 H42 Mo2 N O2 P -","- C58 H84 Mo4 N2 O4 P2 -","2","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio","A Triply Bonded Dimolybdenum Hydride Complex with Acid, Base and Radical Activity","Organometallics","2005","24","1","7","","10.1021/om0491948","","","0.71073","MoKα","","","0.0578","","","","0.1823","","","","","","1.072","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075708","8.974","0.002","12.207","0.003","17.457","0.004","94.374","0.004","97.325","0.004","95.911","0.004","1878.9","0.8","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C42 H47 Mo2 O2 P Sn -","- C42 H47 Mo2 O2 P Sn -","- C84 H94 Mo4 O4 P2 Sn2 -","2","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio","A Triply Bonded Dimolybdenum Hydride Complex with Acid, Base and Radical Activity","Organometallics","2005","24","1","7","","10.1021/om0491948","","x-ray","0.71073","MoKα","","0.079","0.0387","","","0.0736","0.0901","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075709","9.704","0.003","22.494","0.006","14.465","0.004","90","","109.17","0.03","90","","2982.4","1.6","120","0.1","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Mo3 O5 P -","- C32 H37 Mo3 O5 P -","- C128 H148 Mo12 O20 P4 -","4","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio","A Triply Bonded Dimolybdenum Hydride Complex with Acid, Base and Radical Activity","Organometallics","2005","24","1","7","","10.1021/om0491948","","x-ray","0.71073","MoKα","","0.0818","0.0514","","","0.1096","0.1214","","","","","","1.12","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075710","31.064","0.002","11.9434","0.0009","17.9159","0.0013","90","","99.475","0.001","90","","6556.3","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H52 Mg N6 Si2 -","- C26 H52 Mg N6 Si2 -","- C208 H416 Mg8 N48 Si16 -","8","1","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0703","0.0467","","","0.115","0.1268","","","","","","1.009","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075711","24.2471","0.0016","8.6536","0.0006","20.1913","0.0014","90","","122.682","0.001","90","","3565.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H52 Mg N6 Si2 -","- C34 H52 Mg N6 Si2 -","- C136 H208 Mg4 N24 Si8 -","4","0.5","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0581","0.0446","","","0.1151","0.1232","","","","","","1.028","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075712","13.4473","0.0008","16.0187","0.0009","16.3754","0.0009","90","","101.875","0.001","90","","3451.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Mg N2 O2 Si2 -","- C32 H56 Mg N2 O2 Si2 -","- C128 H224 Mg4 N8 O8 Si8 -","4","1","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0576","0.047","","","0.1165","0.121","","","","","","1.158","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075713","12.0451","0.0007","15.9172","0.0009","18.6838","0.001","91.729","0.001","101.358","0.001","90.445","0.001","3510","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H50 Mg N4 Si2 -","- C34 H50 Mg N4 Si2 -","- C136 H200 Mg4 N16 Si8 -","4","2","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0547","0.0439","","","0.1101","0.1168","","","","","","1.027","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075714","9.7033","0.0009","10.2273","0.001","11.7211","0.0011","87.909","0.002","77.606","0.002","75.957","0.002","1101.97","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H80 Mg2 N4 Si4 -","- C36 H80 Mg2 N4 Si4 -","- C36 H80 Mg2 N4 Si4 -","1","0.5","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0633","0.0584","","","0.1572","0.1625","","","","","","1.039","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075715","10.4814","0.0019","18.532","0.003","18.641","0.003","90","","94.469","0.003","90","","3609.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H60 Mg N6 Si2 -","- C32 H60 Mg N6 Si2 -","- C128 H240 Mg4 N24 Si8 -","4","0.5","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0558","0.0429","","","0.1101","0.1181","","","","","","1.06","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075716","12.8708","0.0007","17.1592","0.001","18.2267","0.001","90","","100.069","0.001","90","","3963.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 Mg N2 Si4 -","- C38 H56 Mg N2 Si4 -","- C152 H224 Mg4 N8 Si16 -","4","1","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.055","0.0421","","","0.1063","0.1137","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075717","12.5908","0.0006","22.8478","0.0011","11.3638","0.0005","90","","106.578","0.001","90","","3133.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H53 Mg N3 Si4 -","- C23 H53 Mg N3 Si4 -","- C92 H212 Mg4 N12 Si16 -","4","0.5","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.032","0.0293","","","0.0792","0.081","","","","","","1.074","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075718","11.4854","0.0009","16.9421","0.0013","16.8527","0.0013","90","","102.533","0.002","90","","3201.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H58 Mg N2 O Si2 -","- C30 H58 Mg N2 O Si2 -","- C120 H232 Mg4 N8 O4 Si8 -","4","1","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0547","0.0419","","","0.1005","0.1068","","","","","","1.03","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075719","24.9627","0.0004","12.0804","0.0002","28.9802","0.0005","90","","106.786","0.0007","90","","8366.9","0.2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Cl2 N Ni O2 P2 Zn -","- C46 H44 Cl2 N Ni O2 P2 Zn -","- C368 H352 Cl16 N8 Ni8 O16 P16 Zn8 -","8","1","","Wilting, Jos; Müller, Christian; Hewat, Alison C.; Ellis, Dianne D.; Tooke, Duncan M.; Spek, Anthony L.; Vogt, Dieter","Nickel-Catalyzed Isomerization of 2-Methyl-3-butenenitrile†","Organometallics","2005","24","1","13","","10.1021/om049206p","","","0.71073","MoKα","","0.0586","0.0378","","","0.0808","0.0877","","","","","","1.028","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075720","19.448","0.003","12.5409","0.0015","9.3747","0.0012","90","","102.798","0.008","90","","2229.6","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Fe N2 O4 -","- C22 H32 Fe N2 O4 -","- C88 H128 Fe4 N8 O16 -","4","0.5","","Joly, Kévin M.; Kariuki, Benson M.; Coe, Diane M.; Cox, Liam R.","One-Pot Synthesis of 1,1‘-Bis(2-amino)ethyl-Substituted Ferrocenes from the Reaction of Spiro[2.4]hepta-4,6-diene with Lithium Amides: An Expedient Route into Functionalized Ferrocenophanes","Organometallics","2005","24","3","358","","10.1021/om049222m","","","0.71069","MoKα","","0.0664","0.0524","","","0.1404","0.171","","","","","","1.076","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075721","6.055","0.0006","6.854","0.0006","10.086","0.0008","105.771","0.007","101.616","0.007","104.784","0.009","372.64","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H14 Fe Se2 -","- C16 H14 Fe Se2 -","- C16 H14 Fe Se2 -","1","1","","Mathur, Pradeep; Singh, Vinay K.; Mobin, Shaikh M.; Srinivasu, Chimalakonda; Trivedi, Rajiv; Bhunia, Anjan K.; Puranik, Vedavati G.","Synthesis and Characterization of Ferrocenylchalcogenopropargyl Complexes [Fe(η5-C5H4EICH2C⋮CH)2] (EI= Se, S) and Their Reactions To Form Unusual Ferrocenyl-Containing Metal Clusters with Eclipsed Cp Rings and New Five-Membered FeEICHCCH2Ring Ligand System†","Organometallics","2005","24","3","367","","10.1021/om049226r","","","0.71073","MoKα","","0.0649","0.0527","","","0.1291","0.1385","","","","","","1.11","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075722","11.289","0.0007","10.97","0.0012","24.15","0.0017","90","0.007","96.531","0.006","90","0.008","2971.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Fe4 O8 Se4 -","- C24 H14 Fe4 O8 Se4 -","- C96 H56 Fe16 O32 Se16 -","4","1","","Mathur, Pradeep; Singh, Vinay K.; Mobin, Shaikh M.; Srinivasu, Chimalakonda; Trivedi, Rajiv; Bhunia, Anjan K.; Puranik, Vedavati G.","Synthesis and Characterization of Ferrocenylchalcogenopropargyl Complexes [Fe(η5-C5H4EICH2C⋮CH)2] (EI= Se, S) and Their Reactions To Form Unusual Ferrocenyl-Containing Metal Clusters with Eclipsed Cp Rings and New Five-Membered FeEICHCCH2Ring Ligand System†","Organometallics","2005","24","3","367","","10.1021/om049226r","","","0.71073","MoKα","","0.235","0.0655","","","0.1441","0.2001","","","","","","0.962","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075723","11.286","0.0011","10.807","0.0015","23.935","0.001","90","0.009","96.608","0.006","90","0.01","2899.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Fe4 O8 S2 Se2 -","- C24 H14 Fe4 O8 S2 Se2 -","- C96 H56 Fe16 O32 S8 Se8 -","4","1","","Mathur, Pradeep; Singh, Vinay K.; Mobin, Shaikh M.; Srinivasu, Chimalakonda; Trivedi, Rajiv; Bhunia, Anjan K.; Puranik, Vedavati G.","Synthesis and Characterization of Ferrocenylchalcogenopropargyl Complexes [Fe(η5-C5H4EICH2C⋮CH)2] (EI= Se, S) and Their Reactions To Form Unusual Ferrocenyl-Containing Metal Clusters with Eclipsed Cp Rings and New Five-Membered FeEICHCCH2Ring Ligand System†","Organometallics","2005","24","3","367","","10.1021/om049226r","","","0.71073","MoKα","","0.1484","0.0626","","","0.1411","0.1715","","","","","","1.037","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075724","11.4021","0.0017","10.8602","0.0017","24.127","0.004","90","","97.031","0.003","90","","2965.2","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Fe3 O8 Ru S2 Se2 -","- C24 H14 Fe3 O8 Ru S2 Se2 -","- C96 H56 Fe12 O32 Ru4 S8 Se8 -","4","1","","Mathur, Pradeep; Singh, Vinay K.; Mobin, Shaikh M.; Srinivasu, Chimalakonda; Trivedi, Rajiv; Bhunia, Anjan K.; Puranik, Vedavati G.","Synthesis and Characterization of Ferrocenylchalcogenopropargyl Complexes [Fe(η5-C5H4EICH2C⋮CH)2] (EI= Se, S) and Their Reactions To Form Unusual Ferrocenyl-Containing Metal Clusters with Eclipsed Cp Rings and New Five-Membered FeEICHCCH2Ring Ligand System†","Organometallics","2005","24","3","367","","10.1021/om049226r","","","0.71073","MoKα","","0.1506","0.0836","","","0.2079","0.2452","","","","","","1.129","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075725","9.916","0.001","15.327","0.001","16.582","0.002","90","","90","","90","","2520.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H42 Hf N4 P2 -","- C18 H42 Hf N4 P2 -","- C72 H168 Hf4 N16 P8 -","4","1","","Axenov, Kirill V.; Klinga, Martti; Leskelä, Markku; Repo, Timo","Bis(amido)cyclodiphosph(III)azane Hafnium Complexes and Their Activation by Tris(perfluorophenyl)borane","Organometallics","2005","24","6","1336","","10.1021/om0492303","","","0.71073","MoKα","","0.0447","0.0304","","","0.048","0.0511","","","","","","1.022","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075726","12.168","0.001","19.986","0.001","17.984","0.001","90","","103.561","0.002","90","","4251.6","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 B F15 Hf N4 P2 -","- C36 H42 B F15 Hf N4 P2 -","- C144 H168 B4 F60 Hf4 N16 P8 -","4","1","","Axenov, Kirill V.; Klinga, Martti; Leskelä, Markku; Repo, Timo","Bis(amido)cyclodiphosph(III)azane Hafnium Complexes and Their Activation by Tris(perfluorophenyl)borane","Organometallics","2005","24","6","1336","","10.1021/om0492303","","","0.71073","MoKα","","0.0969","0.0497","","","0.1047","0.1211","","","","","","1.009","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075727","17.6298","0.0004","18.2844","0.0003","19.013","0.0005","79.948","0.001","89.293","0.001","63.643","0.001","5392.7","0.2","200","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C212 H246 Cu20 Fe4 O8 P10 Se14 -","- C212 H246 Cu20 Fe4 O8 P10 Se14 -","- C212 H246 Cu20 Fe4 O8 P10 Se14 -","1","0.5","","Wallbank, Andrew I.; Borecki, Aneta; Taylor, Nicholas J.; Corrigan, John F.","Ferrocenyl-Passivated Nanoclusters: Synthesis of [Cu20Se6(Se2fc)4(PR2R‘)10] and [Cu40Se12(Se2fc)8(PPh3)9]","Organometallics","2005","24","5","788","","10.1021/om049238c","","","0.71073","MoKα","","0.1461","0.0597","","","0.1068","0.1241","","","","","","0.922","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075728","19.5503","0.0012","18.969","0.0011","26.5963","0.0016","90","","99.437","0.0001","90","","9729.7","1","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C160 H302 Cu20 Fe4 P10 Se14 -","- C160 H302 Cu20 Fe4 P10 Se14 -","- C320 H604 Cu40 Fe8 P20 Se28 -","2","0.5","","Wallbank, Andrew I.; Borecki, Aneta; Taylor, Nicholas J.; Corrigan, John F.","Ferrocenyl-Passivated Nanoclusters: Synthesis of [Cu20Se6(Se2fc)4(PR2R‘)10] and [Cu40Se12(Se2fc)8(PPh3)9]","Organometallics","2005","24","5","788","","10.1021/om049238c","","","0.71073","MoKα","","0.0503","0.0311","","","0.0518","0.0529","","","","","","1.083","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075729","21.1482","0.0003","29.3806","0.0005","49.789","0.008","90","","95.435","0.001","90","","30797","5","200","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C250 H215 Cu40 Fe8 O2 P9 Se28 -","- C250 H215 Cu40 Fe8 O2 P9 Se28 -","- C1000 H860 Cu160 Fe32 O8 P36 Se112 -","4","1","","Wallbank, Andrew I.; Borecki, Aneta; Taylor, Nicholas J.; Corrigan, John F.","Ferrocenyl-Passivated Nanoclusters: Synthesis of [Cu20Se6(Se2fc)4(PR2R‘)10] and [Cu40Se12(Se2fc)8(PPh3)9]","Organometallics","2005","24","5","788","","10.1021/om049238c","","","0.71073","MoKα","","0.11","0.0563","","","0.1866","0.2061","","","","","","1.065","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075730","10.26","0.0002","12.804","0.0002","19.634","0.0003","71.302","0.001","87.086","0.001","70.073","0.001","2291.94","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H68 Cl N O P2 Pd -","- C50 H68 Cl N O P2 Pd -","- C100 H136 Cl2 N2 O2 P4 Pd2 -","2","1","","Liang, Lan-Chang; Chien, Pin-Shu; Huang, Mei-Hui","Catalytic Suzuki Coupling Reactions by Amido Phosphine Complexes of Palladium","Organometallics","2005","24","3","353","","10.1021/om0492395","","","0.71073","MoKα","","0.0506","0.0386","","","0.1009","0.1267","","","","","","1.259","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075731","13.277","0.002","20.202","0.004","15.13","0.004","90","","113.195","0.017","90","","3730.2","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 F3 O4 Rh S -","- C39 H42 F3 O4 Rh S -","- C156 H168 F12 O16 Rh4 S4 -","4","1","","Han, Won Seok; Lee, Soon W.","Preparation of Novel Rhodonocenium Complexes via [2 + 2 + 1] Cyclotrimerization of Terminal Aryl Alkynes","Organometallics","2005","24","5","997","","10.1021/om0492404","","","0.71073","MoKα","","0.2435","0.1087","","","0.2514","0.3383","","","","","","1.025","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075732","9.2188","0.0006","19.319","0.002","21.339","0.002","90","","98.198","0.006","90","","3761.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 F3 O4 Rh S -","- C40 H44 F3 O4 Rh S -","- C160 H176 F12 O16 Rh4 S4 -","4","1","","Han, Won Seok; Lee, Soon W.","Preparation of Novel Rhodonocenium Complexes via [2 + 2 + 1] Cyclotrimerization of Terminal Aryl Alkynes","Organometallics","2005","24","5","997","","10.1021/om0492404","","","0.71073","MoKα","","0.0854","0.046","","","0.0893","0.1043","","","","","","1.019","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075733","22.908","0.003","10.666","0.002","16.549","0.003","90","","102.903","0.012","90","","3941.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 F3 O3 Rh S2 -","- C44 H44 F3 O3 Rh S2 -","- C176 H176 F12 O12 Rh4 S8 -","4","1","","Han, Won Seok; Lee, Soon W.","Preparation of Novel Rhodonocenium Complexes via [2 + 2 + 1] Cyclotrimerization of Terminal Aryl Alkynes","Organometallics","2005","24","5","997","","10.1021/om0492404","","","0.71073","MoKα","","0.1034","0.0593","","","0.1428","0.1687","","","","","","1.009","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075734","22.531","0.003","7.8443","0.0016","20.623","0.003","90","","90.929","0.009","90","","3644.4","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 F3 N O3 Rh S2 -","- C39 H39 F3 N O3 Rh S2 -","- C156 H156 F12 N4 O12 Rh4 S8 -","4","1","","Han, Won Seok; Lee, Soon W.","Preparation of Novel Rhodonocenium Complexes via [2 + 2 + 1] Cyclotrimerization of Terminal Aryl Alkynes","Organometallics","2005","24","5","997","","10.1021/om0492404","","","0.71073","MoKα","","0.0677","0.045","","","0.1061","0.1227","","","","","","1.023","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075735","11.7778","0.0017","11.5772","0.0017","14.397","0.002","90","","90.233","0.003","90","","1963.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H36 B I N P -","- C15 H36 B I N P -","- C60 H144 B4 I4 N4 P4 -","4","1","","DeVasher, Rebecca B.; Spruell, Jason M.; Dixon, David A.; Broker, Grant A.; Griffin, Scott T.; Rogers, Robin D.; Shaughnessy, Kevin H.","Experimental and Computational Study of Steric and Electronic Effects on the Coordination of Bulky, Water-Soluble Alkylphosphines to Palladium under Reducing Conditions: Correlation to Catalytic Activity","Organometallics","2005","24","5","962","","10.1021/om049241w","","","0.71073","MoKα","","0.0212","0.0204","","","0.0465","0.047","","","","","","1.118","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075736","11.041","0.001","19.729","0.003","25.44","0.004","90","","98.759","0.006","90","","5476.9","1.3","108.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 Si3 Zr -","- C26 H42 Si3 Zr -","- C208 H336 Si24 Zr8 -","8","1","","Suzuki, Noriyuki; Aihara, Naoto; Iwasaki, Masakazu; Saburi, Masahiko; Chihara, Teiji","Synthesis and Structure of Seven-Membered Metallacyclic Alkynes","Organometallics","2005","24","5","791","","10.1021/om0492449","","","0.7107","MoKα","","","0.0396","","","","0.1349","","","","","","1.612","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075737","8.0481","0.0016","14.164","0.003","10.821","0.002","90","","104.9","0.03","90","","1192","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N Pt S -","- C12 H15 N Pt S -","- C48 H60 N4 Pt4 S4 -","4","1","","Ye, Shengfa; Kaim, Wolfgang; Niemeyer, Mark; Hosmane, Narayan S.","Stereospecific Intramolecular S→Pt Transmethylation from 8-(Methylthio)quinoline to Coordinated PtMe2: Formation ofsyn-[fac-PtIVMe3(μ-8-quinolinethiolato)]2with Stacked Quinoline Rings","Organometallics","2005","24","5","794","","10.1021/om049247l","","","0.71073","MoKα","","0.0627","0.0503","","","0.1212","0.1306","","","","","","1.081","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075738","9.7319","0.0019","16.43","0.002","15.533","0.002","90","","96.75","0.014","90","","2466.4","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 Pt2 S2 -","- C24 H30 N2 Pt2 S2 -","- C96 H120 N8 Pt8 S8 -","4","1","","Ye, Shengfa; Kaim, Wolfgang; Niemeyer, Mark; Hosmane, Narayan S.","Stereospecific Intramolecular S→Pt Transmethylation from 8-(Methylthio)quinoline to Coordinated PtMe2: Formation ofsyn-[fac-PtIVMe3(μ-8-quinolinethiolato)]2with Stacked Quinoline Rings","Organometallics","2005","24","5","794","","10.1021/om049247l","","","0.71073","MoKα","","0.0769","0.0481","","","0.1013","0.1141","","","","","","1.049","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075739","14.403","0.003","12.499","0.003","13.997","0.003","90","","110.36","0.03","90","","2362.4","1","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C24.68 H31.05 Cl0.32 Si2 Zr -","- C24.683 H31.049 Cl0.317 Si2 Zr -","- C98.732 H124.196 Cl1.268 Si8 Zr4 -","4","1","","Song, Fuquan; Lancaster, Simon J.; Cannon, Roderick D.; Schormann, Mark; Humphrey, Simon M.; Zuccaccia, Cristiano; Macchioni, Alceo; Bochmann, Manfred","Synthesis, Ion Aggregation, Alkyl Bonding Modes, and Dynamics of 14-Electron Metallocenium Ion Pairs [(SBI)MCH2SiMe3+···X-] (M = Zr, Hf): Inner-Sphere (X = MeB(C6F5)3) versus Outer-Sphere (X = B(C6F5)4) Structures and the Implications for “Continuous” or “Intermittent” Alkene Polymerization Mechanisms","Organometallics","2005","24","6","1315","","10.1021/om049248d","","","0.71073","MoKα","","0.0299","0.0282","","","0.0754","0.0763","","","","","","1.05","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075740","14.3497","0.0002","12.5146","0.0002","13.9676","0.0002","90","","110.215","0.0009","90","","2353.81","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6","","","- C25 H32 Hf Si2 -","- C25 H32 Hf Si2 -","- C100 H128 Hf4 Si8 -","4","1","","Song, Fuquan; Lancaster, Simon J.; Cannon, Roderick D.; Schormann, Mark; Humphrey, Simon M.; Zuccaccia, Cristiano; Macchioni, Alceo; Bochmann, Manfred","Synthesis, Ion Aggregation, Alkyl Bonding Modes, and Dynamics of 14-Electron Metallocenium Ion Pairs [(SBI)MCH2SiMe3+···X-] (M = Zr, Hf): Inner-Sphere (X = MeB(C6F5)3) versus Outer-Sphere (X = B(C6F5)4) Structures and the Implications for “Continuous” or “Intermittent” Alkene Polymerization Mechanisms","Organometallics","2005","24","6","1315","","10.1021/om049248d","","","0.71073","MoKα","","0.0392","0.0288","","","0.0709","0.0755","","","","","","1.045","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075741","12.1423","0.0002","13.8662","0.0002","17.0088","0.0003","106.059","0.0006","100.705","0.0006","108.05","0.0006","2498.39","0.07","180","2","180","2","","","","","","","","6","P -1","-P 1","2","9","","","- C53 H44 B F15 Hf Si2 -","- C53.5 H40 B F15 Hf Si2 -","- C107 H80 B2 F30 Hf2 Si4 -","2","1","","Song, Fuquan; Lancaster, Simon J.; Cannon, Roderick D.; Schormann, Mark; Humphrey, Simon M.; Zuccaccia, Cristiano; Macchioni, Alceo; Bochmann, Manfred","Synthesis, Ion Aggregation, Alkyl Bonding Modes, and Dynamics of 14-Electron Metallocenium Ion Pairs [(SBI)MCH2SiMe3+···X-] (M = Zr, Hf): Inner-Sphere (X = MeB(C6F5)3) versus Outer-Sphere (X = B(C6F5)4) Structures and the Implications for “Continuous” or “Intermittent” Alkene Polymerization Mechanisms","Organometallics","2005","24","6","1315","","10.1021/om049248d","","","0.71073","MoKα","","0.0582","0.0426","","","0.1048","0.1188","","","","","","1.079","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075742","11.857","0.002","35.049","0.007","14.543","0.003","90","","97.79","0.03","90","","5988","2","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H57 F6 Ir N O P2 Sb -","- C66 H57 F6 Ir N O P2 Sb -","- C264 H228 F24 Ir4 N4 O4 P8 Sb4 -","4","1","","Li, Xingwei; Vogel, Tiffany; Incarvito, Christopher D.; Crabtree, Robert H.","Electronic and Steric Effects in the Insertion of Alkynes into an Iridium(III) Hydride","Organometallics","2005","24","1","62","","10.1021/om049271z","","","0.71073","MoKα","","0.0888","0.0485","","","0.1161","0.1315","","","","","","1.041","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075743","25.032","0.005","14.67","0.003","13.062","0.003","90","","107.35","0.03","90","","4578.4","1.8","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H44 F6 Ir O3 P2 Sb -","- C50 H44 F6 Ir O3 P2 Sb -","- C200 H176 F24 Ir4 O12 P8 Sb4 -","4","1","","Li, Xingwei; Vogel, Tiffany; Incarvito, Christopher D.; Crabtree, Robert H.","Electronic and Steric Effects in the Insertion of Alkynes into an Iridium(III) Hydride","Organometallics","2005","24","1","62","","10.1021/om049271z","","","0.71073","MoKα","","0.0489","0.0359","","","0.0684","0.0726","","","","","","1.043","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075744","11.275","0.002","13.219","0.003","17.503","0.004","76.77","0.03","78.3","0.03","83.67","0.03","2481.1","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H58 B F4 Ir O3 P2 -","- C56 H48 B F4 Ir O2 P2 -","- C112 H96 B2 F8 Ir2 O4 P4 -","2","1","","Li, Xingwei; Vogel, Tiffany; Incarvito, Christopher D.; Crabtree, Robert H.","Electronic and Steric Effects in the Insertion of Alkynes into an Iridium(III) Hydride","Organometallics","2005","24","1","62","","10.1021/om049271z","","","0.71073","MoKα","","0.0501","0.0365","","","0.0788","0.0822","","","","","","1.036","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075745","9.7682","0.0008","11.4013","0.0007","12.4389","0.0012","76.597","0.005","86.581","0.003","85.825","0.003","1342.71","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N2 Ru2 -","- C30 H38 N2 Ru2 -","- C60 H76 N4 Ru4 -","2","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.0473","0.036","","","0.0941","0.0993","","","","","","1.047","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075746","14.492","0.006","15.164","0.006","24.876","0.008","90","","92.62","0.03","90","","5461","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N2 Ru2 -","- C30 H38 N2 Ru2 -","- C240 H304 N16 Ru16 -","8","2","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.1243","0.0782","","","0.1781","0.1972","","","","","","1.142","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075747","28.9627","0.0019","11.3765","0.0009","18.6104","0.0009","90","","114.542","0.002","90","","5578","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 N2 O Ru2 -","- C31 H38 N2 O Ru2 -","- C248 H304 N16 O8 Ru16 -","8","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.0497","0.0372","","","0.0928","0.0984","","","","","","1.045","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075748","12.874","0.012","11.863","0.012","21.582","0.017","90","","90","","90","","3296","5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H44 N2 O Ru2 -","- C37 H44 N2 O Ru2 -","- C148 H176 N8 O4 Ru8 -","4","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.0523","0.0343","","","0.0571","0.0608","","","","","","0.921","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075749","12.555","0.002","16.084","0.004","16.663","0.002","90","","97.554","0.007","90","","3335.6","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 N3 Ru2 -","- C35 H47 N3 Ru2 -","- C140 H188 N12 Ru8 -","4","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.1978","0.0784","","","0.1202","0.1499","","","","","","0.994","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075750","16.082","0.007","13.72","0.005","16.334","0.006","90","","111.46","0.03","90","","3354","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 N3 Ru2 -","- C35 H47 N3 Ru2 -","- C140 H188 N12 Ru8 -","4","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.0798","0.0548","","","0.1159","0.1253","","","","","","1.09","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075751","20.7065","0.0009","14.4762","0.0008","22.2356","0.0009","90","","90","","90","","6665.2","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C35 H47 N3 Ru2 -","- C35 H47 N3 Ru2 -","- C280 H376 N24 Ru16 -","8","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.1063","0.0519","","","0.1058","0.1209","","","","","","0.994","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075752","8.1528","0.0003","18.2027","0.0004","11.9488","0.0004","90","","90","","90","","1773.24","0.1","150.1","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H22 Si2 -","- C20 H22 Si2 -","- C80 H88 Si8 -","4","1","","Yoshida, Hiroto; Ikadai, Junnai; Shudo, Miwa; Ohshita, Joji; Kunai, Atsutaka","Addition of Silicon−Silicon σ-Bonds to Arynes or Bisarynes Catalyzed by a Palladium Complex","Organometallics","2005","24","1","156","","10.1021/om049276w","","","0.7107","MoKα","","","0.034","","","","0.054","","","","","","0.859","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075753","9.0583","0.0005","9.4766","0.0005","12.7034","0.0007","94.149","0.002","103.896","0.0009","108.488","0.002","990.79","0.09","296.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 Si2 -","- C22 H24 Si2 -","- C44 H48 Si4 -","2","1","","Yoshida, Hiroto; Ikadai, Junnai; Shudo, Miwa; Ohshita, Joji; Kunai, Atsutaka","Addition of Silicon−Silicon σ-Bonds to Arynes or Bisarynes Catalyzed by a Palladium Complex","Organometallics","2005","24","1","156","","10.1021/om049276w","","","0.7107","MoKα","","","0.048","","","","0.057","","","","","","11.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075754","10.284","0.003","21.386","0.005","22.061","0.005","90","","90","","90","","4852","2","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C20 H28 Cu2 F6 O4 -","- C20 H28 Cu2 F5.94 O4 -","- C160 H224 Cu16 F47.52 O32 -","8","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions","Organometallics","2005","24","5","819","","10.1021/om049314b","","","0.71073","MoKα","","0.1197","0.0466","","","0.107","0.1251","","","","","","0.811","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075755","13.138","0.003","15.135","0.005","15.729","0.005","90","","112.78","0.05","90","","2883.7","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cu F3 O6 -","- C10 H12 Cu F2.97 O6 -","- C80 H96 Cu8 F23.76 O48 -","8","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions","Organometallics","2005","24","5","819","","10.1021/om049314b","","","0.71073","MoKα","","0.0905","0.0436","","","0.13","0.1543","","","","","","0.882","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075756","16.142","0.005","16.712","0.005","9.861","0.003","90","","90","","90","","2660.2","1.4","233","2","233","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Cu2 F6 O8 -","- C24 H20 Cu2 F6 O8 -","- C96 H80 Cu8 F24 O32 -","4","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions","Organometallics","2005","24","5","819","","10.1021/om049314b","","","1.5418","CuKα","","0.047","0.0356","","","0.0876","0.0949","","","","","","0.989","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075757","11.606","0.005","11.067","0.005","11.864","0.005","90","","94.89","0.05","90","","1518.3","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu2 F6 O4 -","- C12 H12 Cu2 F6 O4 -","- C48 H48 Cu8 F24 O16 -","4","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions","Organometallics","2005","24","5","819","","10.1021/om049314b","","","1.5418","CuKα","","0.0401","0.0338","","","0.0895","0.0975","","","","","","0.813","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075758","11.779","0.0001","16.7882","0.0001","19.3921","0.0001","90","","90.746","0.0003","90","","3834.43","0.04","100","","100","","","","","","","","diethylether/dichloromethane","8","P 1 21 1","P 2yb","4","","(μ~2~-chloro)-bis[(η^3^-allyl)-(1,3-tert-butyl-imidazol- 2-ylidene)-palladium] hexafluorophosphate demi-diethylether demi-dichloromethane solvate","","- C61 H112 Cl4 F12 N8 O P2 Pd4 -","- C61 H112 Cl4 F12 N8 O P2 Pd4 -","- C122 H224 Cl8 F24 N16 O2 P4 Pd8 -","2","1","","Ding, Yuqiang; Goddard, Richard; Pörschke, Klaus-Richard","Cationic Dinuclear Pd−Allyl−Halide Complexes with N-Heterocyclic Carbenes","Organometallics","2005","24","3","439","","10.1021/om049317o","","","0.71073","MoKα","","0.036","0.0335","","","0.0837","0.0853","","","","","","1.039","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075759","9.975","0.001","23.147","0.0016","16.013","0.0015","90.003","0.005","93.525","0.004","90.001","0.005","3690.3","0.6","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C67 H15 Ir O2 -","- C67 H15 Ir O2 -","- C268 H60 Ir4 O8 -","4","1","","Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi","Synthesis and Derivatization of Iridium(I) and Iridium(III) Pentamethyl[60]fullerene Complexes","Organometallics","2005","24","1","89","95","10.1021/om049333l","","x-ray","0.71073","MoKα","","0.1523","0.0913","","","0.2306","0.2921","","","","","","0.933","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4075760","9.995","0.0008","13.506","0.0013","17.145","0.0016","73.171","0.005","87.823","0.006","79.239","0.005","2176.1","0.3","120","2","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C72 H21 I2 Ir O -","- C72 H21 I2 Ir O -","- C144 H42 I4 Ir2 O2 -","2","1","","Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi","Synthesis and Derivatization of Iridium(I) and Iridium(III) Pentamethyl[60]fullerene Complexes","Organometallics","2005","24","1","89","95","10.1021/om049333l","","x-ray","0.71073","MoKα","","0.1033","0.0821","","","0.2226","0.2646","","","","","","1.136","","","","has coordinates","133833","2020-10-21","18:00:00",""
"4075761","12.5936","0.0007","19.4927","0.0009","13.5024","0.0008","90","","116.473","0.004","90","","2967.1","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Al Cl I N2 -","- C29 H41 Al Cl I N2 -","- C116 H164 Al4 Cl4 I4 N8 -","4","1","","Zhu, Hongping; Chai, Jianfang; He, Cheng; Bai, Guangcai; Roesky, Herbert W.; Jancik, Vojtech; Schmidt, Hans-Georg; Noltemeyer, Mathias","Stepwise Hydrolysis of Aluminum Chloride Iodide LAlClI (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3) in the Presence ofN-Heterocyclic Carbene as Hydrogen Halide Acceptor†","Organometallics","2005","24","3","380","","10.1021/om049339a","","","0.71073","MoKα","","0.0368","0.0322","","","0.0939","0.0959","","","","","","1.092","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075762","13.567","0.002","13.263","0.002","17.359","0.005","90","","103.76","0.02","90","","3033.9","1.1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H98 Al2 Cl2 N4 O2 -","- C64 H98 Al2 Cl2 N4 O2 -","- C128 H196 Al4 Cl4 N8 O4 -","2","0.5","","Zhu, Hongping; Chai, Jianfang; He, Cheng; Bai, Guangcai; Roesky, Herbert W.; Jancik, Vojtech; Schmidt, Hans-Georg; Noltemeyer, Mathias","Stepwise Hydrolysis of Aluminum Chloride Iodide LAlClI (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3) in the Presence ofN-Heterocyclic Carbene as Hydrogen Halide Acceptor†","Organometallics","2005","24","3","380","","10.1021/om049339a","","","0.71073","MoKα","","0.0556","0.0338","","","0.0729","0.0782","","","","","","0.923","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075763","17.3354","0.0003","17.6029","0.0004","19.3402","0.0003","90","","90","","90","","5901.73","0.19","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C74 H60 Cl2 Co2 N2 O2 Pd -","- C74 H60 Cl2 Co2 N2 O2 Pd -","- C296 H240 Cl8 Co8 N8 O8 Pd4 -","4","1","","Prasad, R. Shyam; Anderson, Carolyn E.; Richards, Christopher J.; Overman, Larry E.","Synthesis oftert-Leucine-Derived Cobalt Oxazoline Palladacycles. Reversal of Palladation Diastereoselectivity and Application to the Asymmetric Rearrangement ofN-Aryl Trifluoroacetimidates","Organometallics","2005","24","1","77","","10.1021/om0493614","","","0.71073","MoKα","","0.0753","0.0526","","","0.0987","0.1084","","","","","","1.023","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075764","20.697","0.009","9.741","0.004","22.862","0.01","90","","109.674","0.006","90","","4340","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Fe2 O6 P S2 -","- C19 H13 Fe2 O6 P S2 -","- C152 H104 Fe16 O48 P8 S16 -","8","1","","Song, Li-Cheng; Zeng, Guang-Huai; Hu, Qing-Mei; Ge, Jian-Hua; Lou, Shao-Xia","Unexpected Preparation of Butterfly Fe/S Cluster Complexes Containing a Quaternary Phosphorus Atom via Reactions of the Anions (μ-RS)(μ-S-)Fe2(CO)6and (μ-RS)(μ-S-)[Fe2(CO)6]2(μ4-S) with Diphenylchlorophosphine","Organometallics","2005","24","1","16","","10.1021/om049372x","","","0.71073","MoKα","","0.1642","0.0694","","","0.066","0.0805","","","","","","1.008","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075765","9.408","0.004","10.438","0.004","19.084","0.008","91.396","0.007","103.41","0.007","106.192","0.006","1742.7","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H15 Fe4 O11 P S3 -","- C29 H15 Fe4 O11 P S3 -","- C58 H30 Fe8 O22 P2 S6 -","2","1","","Song, Li-Cheng; Zeng, Guang-Huai; Hu, Qing-Mei; Ge, Jian-Hua; Lou, Shao-Xia","Unexpected Preparation of Butterfly Fe/S Cluster Complexes Containing a Quaternary Phosphorus Atom via Reactions of the Anions (μ-RS)(μ-S-)Fe2(CO)6and (μ-RS)(μ-S-)[Fe2(CO)6]2(μ4-S) with Diphenylchlorophosphine","Organometallics","2005","24","1","16","","10.1021/om049372x","","","0.71073","MoKα","","0.0815","0.0482","","","0.1153","0.1387","","","","","","0.985","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075766","10.074","0.009","13.125","0.012","15.977","0.014","84.964","0.016","83.658","0.016","89.174","0.017","2091","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cl2 Fe2 O5 P2 S2 -","- C42 H32 Cl2 Fe2 O5 P2 S2 -","- C84 H64 Cl4 Fe4 O10 P4 S4 -","2","1","","Song, Li-Cheng; Zeng, Guang-Huai; Hu, Qing-Mei; Ge, Jian-Hua; Lou, Shao-Xia","Unexpected Preparation of Butterfly Fe/S Cluster Complexes Containing a Quaternary Phosphorus Atom via Reactions of the Anions (μ-RS)(μ-S-)Fe2(CO)6and (μ-RS)(μ-S-)[Fe2(CO)6]2(μ4-S) with Diphenylchlorophosphine","Organometallics","2005","24","1","16","","10.1021/om049372x","","","0.71073","MoKα","","0.1221","0.0585","","","0.1334","0.1593","","","","","","0.977","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075767","5.8192","0.0015","17.67","0.006","7.2905","0.0019","90","","105.236","0.013","90","","723.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CpCoNSNS","","","- C5 H5 Co N2 S2 -","- C5 H5 Co N2 S2 -","- C20 H20 Co4 N8 S8 -","4","1","","Van Droogenbroeck, Joris; Van Alsenoy, Christian; Aucott, Stephen M.; Woollins, J. Derek; Hunter, Allen D.; Blockhuys, Frank","Structure, Bonding, and Reactivity of the Organometallic 1,3,2,4-Dithiadiazole Complex CpCoS2N2","Organometallics","2005","24","5","1004","","10.1021/om0494059","","","0.71073","MoKα","","0.0216","0.021","","","0.0541","0.0545","","","","","","1.075","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075768","11.9921","0.0004","14.4141","0.0008","17.4658","0.0009","90","","91.523","0.003","90","","3018","0.2","213.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N2 O2 P2 Rh2 -","- C33 H26 N2 O2 P2 Rh2 -","- C132 H104 N8 O8 P8 Rh8 -","4","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.0311","","","","0.096","","","","","","0.791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075769","17.66","0.004","19.519","0.004","11.385","0.002","98.98","0.02","89.908","0.007","65.347","0.004","3513.3","1.3","213.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H35 N2 O3 P2 Rh2 Si -","- C36 H34 N2 O3 P2 Rh2 Si -","- C144 H136 N8 O12 P8 Rh8 Si4 -","4","2","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.1033","","","","0.2692","","","","","","1.54","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075770","12.826","0.001","13.777","0.002","12.64","0.001","104.166","0.003","113.28","0.005","70.131","0.002","1913.7","0.4","213.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 N2 O2 P2 Rh2 -","- C37 H34 N2 O2 P2 Rh2 -","- C74 H68 N4 O4 P4 Rh4 -","2","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.071","","","","0.2193","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075771","22.568","0.001","8.5213","0.0003","17.8092","0.0005","90","","97.387","0.002","90","","3396.4","0.2","213.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H30 N2 O2 P2 Rh2 -","- C39 H30 N2 O2 P2 Rh2 -","- C156 H120 N8 O8 P8 Rh8 -","4","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.0325","","","","0.0978","","","","","","0.734","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075772","12.884","0.0009","12.8835","0.0008","12.7042","0.0007","104.022","0.004","108.78","0.003","65.142","0.002","1797.4","0.2","213.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 N2 O2 P2 Rh2 -","- C40 H32 N2 O2 P2 Rh2 -","- C80 H64 N4 O4 P4 Rh4 -","2","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.0431","","","","0.145","","","","","","1.271","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075773","11.917","0.002","14.475","0.002","11.636","0.001","98.247","0.009","112.296","0.008","88.002","0.003","1837.5","0.4","213.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H27 Cl2 Co N2 O6 P2 Rh2 -","- C36 H27 Cl2 Co N2 O6 P2 Rh2 -","- C72 H54 Cl4 Co2 N4 O12 P4 Rh4 -","2","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.0725","","","","0.2215","","","","","","1.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075774","13.1441","0.0001","14.5146","0.0004","13.0817","0.0003","96.136","0.001","115.051","0.001","68.505","0.002","2100.27","0.08","213.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H29 Cl4 Mn N2 O7 P2 Rh2 -","- C38 H25 Cl4 Mn N2 O7 P2 Rh2 -","- C76 H50 Cl8 Mn2 N4 O14 P4 Rh4 -","2","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.0602","","","","0.1769","","","","","","1.273","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075775","17.9746","0.0003","27.7046","0.0006","16.6001","0.0003","90","","90.846","0.001","90","","8265.6","0.3","213.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C95 H77 B N4 O4 P4 Rh4 -","- C95 H77 B N4 O4 P4 Rh4 -","- C380 H308 B4 N16 O16 P16 Rh16 -","4","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.0431","","","","0.127","","","","","","0.687","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075776","22.608","0.003","19.32","0.003","22.188","0.001","90","","38.916","0.004","90","","6088","1.4","213.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H50 N4 O4 P4 Rh4 -","- C64 H50 N4 O4 P4 Rh4 -","- C256 H200 N16 O16 P16 Rh16 -","4","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.068","","","","0.1926","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075777","17.875","0.001","18.877","0.001","13.774","0.001","103.703","0.003","97.179","0.004","105.748","0.005","4256","0.5","213.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C91 H82 B Cl4 N4 O4 P4 Rh4 -","- C90 H71 B Cl4 N4 O4 P4 Rh4 -","- C180 H142 B2 Cl8 N8 O8 P8 Rh8 -","2","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.0664","","","","0.1792","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075778","14.221","0.002","21.678","0.002","12.315","0.002","105.141","0.005","107.05","0.01","105.634","0.008","3248","0.8","213.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H59 N4 O5 P4 Rh4 -","- C71 H59 N4 O5 P4 Rh4 -","- C142 H118 N8 O10 P8 Rh8 -","2","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.0785","","","","0.2366","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075779","10.159","0.004","21.548","0.004","21.411","0.004","90","","92.286","0.003","90","","4683","2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H53 Cl N5 Re -","- C52 H53 Cl N5 Re -","- C208 H212 Cl4 N20 Re4 -","4","1","","Villegas, John M.; Stoyanov, Stanislav R.; Reibenspies, Joseph H.; Rillema, D. Paul","Spectroscopic and Computational Investigations of the Temperature-Dependent Emission Behavior of [Re(CNx)5Cl] and [Re(CNx)6]+Complexes","Organometallics","2005","24","3","395","","10.1021/om049443s","","","0.71073","MoKα","","0.0699","0.0538","","","0.137","0.1506","","","","","","1.025","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075780","12.66","0.003","9.193","0.002","30.63","0.008","90","","97.081","0.005","90","","3537.6","1.5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Cl2 Cr N5 O5 -","- C35 H44 Cl2 Cr N5 O5 -","- C140 H176 Cl8 Cr4 N20 O20 -","4","1","","Darensbourg, Donald J.; Mackiewicz, Ryan M.; Billodeaux, Damon R.","Pressure Dependence of the Carbon Dioxide/Cyclohexene Oxide Coupling Reaction Catalyzed by Chromium Salen Complexes. Optimization of the Comonomer-Alternating Enchainment Pathway","Organometallics","2005","24","1","144","","10.1021/om049454l","","","0.71073","MoKα","","0.213","0.1028","","","0.2231","0.2776","","","","","","0.994","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075781","8.5001","0.0006","10.0668","0.0009","15.399","0.002","85.918","0.008","87.093","0.008","87.936","0.009","1311.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H32 Ge Si -","- C31 H32 Ge Si -","- C62 H64 Ge2 Si2 -","2","1","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71073","MoKα","","0.0571","0.0336","","","0.0883","0.0967","","","","","","1.055","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075782","13.1197","0.001","7.4855","0.0009","24.557","0.002","90","","99.833","0.009","90","","2376.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Ge -","- C30 H28 Ge -","- C120 H112 Ge4 -","4","1","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71073","MoKα","","0.1128","0.034","","","0.0799","0.1016","","","","","","0.995","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075783","10.0281","0.0007","15.8575","0.001","17.1917","0.001","90","","92.231","0.008","90","","2731.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Ge Si -","- C32 H34 Ge Si -","- C128 H136 Ge4 Si4 -","4","1","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71073","MoKα","","0.1651","0.0483","","","0.0956","0.1248","","","","","","0.963","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075784","9.916","0.0002","15.678","0.0004","16.978","0.0005","90","","92.202","0.001","90","","2637.5","0.12","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Si2 -","- C32 H34 Si2 -","- C128 H136 Si8 -","4","1","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71069","MoKα","","0.0834","0.0471","","","0.0981","0.1136","","","","","","1.013","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075785","22.377","0.004","13.344","0.002","18.147","0.004","90","","117.517","0.014","90","","4805.7","1.7","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Sn -","- C30 H28 Sn -","- C240 H224 Sn8 -","8","1","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71073","MoKα","","0.0408","0.0317","","","0.0795","0.0857","","","","","","1.065","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075786","20","0.003","32.881","0.005","9.795","0.001","90","","90","","90","","6441.4","1.5","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C34 H40 Si2 Sn -","- C34 H40 Si2 Sn -","- C272 H320 Si16 Sn8 -","8","0.5","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71069","MoKα","","0.025","0.021","","0.0535","0.0521","","","","1.034","1.066","1.066","","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075787","8.4209","0.0008","12.858","0.0012","13.9489","0.0013","90","","91.84","0.002","90","","1509.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cr N2 O3 -","- C17 H14 Cr N2 O3 -","- C68 H56 Cr4 N8 O12 -","4","1","","Shen, Kanyi; Tian, Xiaohui; Zhong, Juhua; Lin, Jiaping; Shen, Yi; Wu, Peiyi","Metal π Complexes of Carbazole Derivatives for Optoelectronics: Synthesis, Structures, and UV−Visible Absorption Spectra of (3-Amino-9-ethylcarbazole)chromium Tricarbonyl Complexes","Organometallics","2005","24","1","127","","10.1021/om0495527","","","0.71073","MoKα","","0.1293","0.0464","","","0.063","0.0796","","","","","","0.856","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075788","12.175","0.003","13.95","0.003","10.056","0.003","90","","111.98","0.02","90","","1583.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cr N2 O3 -","- C17 H14 Cr N2 O3 -","- C68 H56 Cr4 N8 O12 -","4","1","","Shen, Kanyi; Tian, Xiaohui; Zhong, Juhua; Lin, Jiaping; Shen, Yi; Wu, Peiyi","Metal π Complexes of Carbazole Derivatives for Optoelectronics: Synthesis, Structures, and UV−Visible Absorption Spectra of (3-Amino-9-ethylcarbazole)chromium Tricarbonyl Complexes","Organometallics","2005","24","1","127","","10.1021/om0495527","","","0.71073","MoKα","","0.1214","0.0514","","","0.1423","0.2043","","","","","","1.05","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075789","12.915","0.002","13.21","0.003","15.975","0.003","77.06","0.02","71.678","0.013","66.884","0.015","2363.7","0.8","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H40 Cl4 I N2 O3 P2 Rh -","- C49 H40 Cl4 I N2 O3 P2 Rh -","- C98 H80 Cl8 I2 N4 O6 P4 Rh2 -","2","1","","Lee, Chrong-Ching; Lin, Ying-Chih; Liu, Yi-Hung; Wang, Yu","Rhodium-Catalyzed Dimerization of Terminal Alkynes Assisted by MeI","Organometallics","2005","24","1","136","","10.1021/om049604s","","","0.71073","MoKα","","0.0738","0.0454","","0.1475","0.1301","","","","0.943","1.007","1.007","","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075790","11.8742","0.0006","43.994","0.002","12.5591","0.0006","90","","96.715","0.001","90","","6515.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H74 Cl2 Cr F25 N2 -","- C63 H74 Cl2 Cr F25 N2 -","- C252 H296 Cl8 Cr4 F100 N8 -","4","1","","Alonso, Pablo J.; Forniés, Juan; García-Monforte, M. Angeles; Martín, Antonio; Menjón, Babil","A New Geometry for Homoleptic Organochromium Compounds","Organometallics","2005","24","6","1269","","10.1021/om0499106","","","0.71073","MoKα","","0.064","0.0388","","","0.0603","0.0637","","","","","","0.964","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075791","12.2225","0.0002","13.9703","0.0002","16.9809","0.0003","82.774","0.0006","73.665","0.0006","73.686","0.0008","2667","0.08","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C55.5 H47.5 B F20 N2 Sc -","- C55.5 H47.5 B F20 N2 Sc -","- C111 H95 B2 F40 N4 Sc2 -","2","1","","Hayes, Paul G.; Piers, Warren E.; Parvez, Masood","Synthesis, Structure, and Ion Pair Dynamics of β-Diketiminato-Supported Organoscandium Contact Ion Pairs","Organometallics","2005","24","6","1173","","10.1021/om050007v","","","0.71073","MoKα","","0.0902","0.0736","","","0.2329","0.2517","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075792","12.7552","0.0001","14.0148","0.0002","19.7212","0.0003","77.7032","0.0005","76.554","0.0005","68.6369","0.0008","3160.99","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H75 B F15 N2 Sc Si2 -","- C61 H75 B F15 N2 Sc Si2 -","- C122 H150 B2 F30 N4 Sc2 Si4 -","2","1","","Hayes, Paul G.; Piers, Warren E.; Parvez, Masood","Synthesis, Structure, and Ion Pair Dynamics of β-Diketiminato-Supported Organoscandium Contact Ion Pairs","Organometallics","2005","24","6","1173","","10.1021/om050007v","","","0.71073","MoKα","","0.0831","0.0595","","","0.1633","0.183","","","","","","1.014","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075793","12.0777","0.0003","11.31","0.0003","16.7043","0.0005","90","","100.634","0.0001","90","","2242.6","0.11","198","2","198","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H30 O Ru -","- C28 H30 O Ru -","- C112 H120 O4 Ru4 -","4","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.0496","0.0443","","","0.1118","0.1155","","","","","","1.083","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075794","9.8991","0.001","10.9444","0.001","17.9392","0.001","74.28","0.02","82.94","0.02","69.57","0.02","1752.3","0.4","253","2","253","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H45 O1.5 Ru -","- C44 H45 O1.5 Ru -","- C88 H90 O3 Ru2 -","2","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.1879","0.0493","","","0.1038","0.1357","","","","","","0.886","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075795","16.7107","0.0004","7.5123","0.0002","20.7493","0.0006","90","","101.956","0.0001","90","","2548.27","0.12","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 O Ru -","- C30 H34 O Ru -","- C120 H136 O4 Ru4 -","4","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.0898","0.0504","","","0.095","0.1103","","","","","","1.054","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075796","10.9164","0.0003","17.8403","0.0006","18.6151","0.0005","90","","106.395","0.002","90","","3477.91","0.18","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 O Ru -","- C44 H44 O Ru -","- C176 H176 O4 Ru4 -","4","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.0763","0.0448","","","0.0793","0.0924","","","","","","1.101","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075797","44.0085","0.0005","44.0085","0.0005","8.6969","0.0001","90","","90","","120","","14587.1","0.3","208","2","208","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C28 H36 O9 Ru -","- C28 H36 O9 Ru -","- C504 H648 O162 Ru18 -","18","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.0753","0.0458","","","0.1102","0.1247","","","","","","1.089","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075798","7.5664","0.0015","13.433","0.003","20.191","0.004","90","","98.97","0.03","90","","2027.1","0.7","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 O Ru -","- C22 H32 O Ru -","- C88 H128 O4 Ru4 -","4","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.0758","0.0388","","","0.0748","0.0851","","","","","","1.009","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075799","14.8137","0.0001","22.6355","0.0001","17.6457","0.0001","90","","103.995","0.0003","90","","5741.24","0.06","100","","100","","","","","","","","dichloromethane","7","P 1 21/c 1","-P 2ybc","14","","(μ~2~-bromo)bis((η^3^-allyl)(trimethylphosphine)palladium) tetra(pentafluorophenyl)borate","","- C54 H64 B Br F20 P2 Pd2 -","- C54 H63 B Br F20 P2 Pd2 -","- C216 H252 B4 Br4 F80 P8 Pd8 -","4","1","","Alberti, Davide; Goddard, Richard; Pörschke, Klaus-Richard","Dinuclear [{(π-C3H5)M(PR3)}2(μ-X)]Y Complexes of Nickel and Palladium†","Organometallics","2005","24","16","3907","","10.1021/om050020f","","","0.71073","MoKα","","0.0571","0.0484","","","0.1184","0.1239","","","","","","1.017","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075800","15.0314","0.0003","17.5337","0.0002","22.1486","0.0004","90","","90","","90","","5837.4","0.17","100","","100","","","","","","","","dichloromethane/pentane","8","P 21 21 21","P 2ac 2ab","19","","(μ~2~-bromo)bis((η^3^-allyl)(triisopropylphosphine)nickel) tetra(nonafluoro-tetrabutoxy)aluminate","","- C40 H52 Al Br F36 Ni2 O4 P2 -","- C40 H52 Al Br F36 Ni2 O4 P2 -","- C160 H208 Al4 Br4 F144 Ni8 O16 P8 -","4","1","","Alberti, Davide; Goddard, Richard; Pörschke, Klaus-Richard","Dinuclear [{(π-C3H5)M(PR3)}2(μ-X)]Y Complexes of Nickel and Palladium†","Organometallics","2005","24","16","3907","","10.1021/om050020f","","","0.71073","MoKα","","0.0614","0.0427","","","0.0752","0.0814","","","","","","1.045","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075801","18.6709","0.0011","10.0493","0.0006","20.2826","0.0012","90","","100.508","0.001","90","","3741.8","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6","Cyclohexyl-bis[N-(dimethylamino)pivaloimidato-N,O]siliconium chloride","","- C23 H44 Cl10 N4 O2 Si -","- C23 H44 Cl10 N4 O2 Si -","- C92 H176 Cl40 N16 O8 Si4 -","4","1","","Gostevskii, Boris; Silbert, Gilad; Adear, Keren; Sivaramakrishna, Akella; Stalke, Dietmar; Deuerlein, Stephan; Kocher, Nikolaus; Voronkov, Mikhail G.; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 9. Two Dissociation Patterns of Hexacoordinate Silicon Complexes: A Model Nucleophilic Substitution at Pentacoordinate Silicon1","Organometallics","2005","24","12","2913","","10.1021/om0500568","","","0.71073","MoKα","","0.0579","0.0529","","","0.14","0.145","","","","","","1.036","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075802","18.726","0.003","8.0215","0.0013","15.525","0.003","90","","90","","90","","2332","0.7","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","7","Cyclohexyl-bis[N-(dimethylamino)trifluoroacetimidato-N,O]siliconium triflate","","- C15 H23 F9 N4 O5 S Si -","- C15 H23 F9 N4 O5 S Si -","- C60 H92 F36 N16 O20 S4 Si4 -","4","1","","Gostevskii, Boris; Silbert, Gilad; Adear, Keren; Sivaramakrishna, Akella; Stalke, Dietmar; Deuerlein, Stephan; Kocher, Nikolaus; Voronkov, Mikhail G.; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 9. Two Dissociation Patterns of Hexacoordinate Silicon Complexes: A Model Nucleophilic Substitution at Pentacoordinate Silicon1","Organometallics","2005","24","12","2913","","10.1021/om0500568","","","0.71073","MoKα","","0.0315","0.0307","","","0.0767","0.0772","","","","","","1.085","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075803","8.0658","0.0016","9.4973","0.0019","12.373","0.003","81.993","0.003","73.243","0.003","83.597","0.003","896.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","9","Cyclohexyl[N-(dimethylamino)trifluoroacetimidato-N,O][N-(methylamino)trifluoroacetimidato-N,O]silicon(IV)","","- C13 H20 F6 N4 O2 Si -","- C13 H20 F6 N4 O2 Si -","- C26 H40 F12 N8 O4 Si2 -","2","1","","Gostevskii, Boris; Silbert, Gilad; Adear, Keren; Sivaramakrishna, Akella; Stalke, Dietmar; Deuerlein, Stephan; Kocher, Nikolaus; Voronkov, Mikhail G.; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 9. Two Dissociation Patterns of Hexacoordinate Silicon Complexes: A Model Nucleophilic Substitution at Pentacoordinate Silicon1","Organometallics","2005","24","12","2913","","10.1021/om0500568","","","0.71073","MoKα","","0.0324","0.0308","","","0.0806","0.0816","","","","","","1.053","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075804","12.6354","0.0016","14.4617","0.0018","15.3457","0.0019","90","","92.675","0.003","90","","2801.1","0.6","153","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 B N8 O4 Re -","- C25 H30 B N8 O4 Re -","- C100 H120 B4 N32 O16 Re4 -","4","1","","You, Fei; Friedman, Lee A.; Bassett, Kimberley C.; Lin, Yunqing; Sabat, Michal; Harman, W. Dean","Rhenium(I) η2-Coordinated Furan Complexes: Converting Furan into a 1,3-Carbon Dipole","Organometallics","2005","24","12","2903","","10.1021/om050075h","","","0.71073","MoKα","","0.0648","0.0408","","","0.0804","0.0853","","","","","","0.919","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075805","12.7397","0.0012","14.4668","0.0013","15.3706","0.0014","90","","93.652","0.002","90","","2827.1","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 B N8 O3 Re -","- C27 H30 B N8 O3 Re -","- C108 H120 B4 N32 O12 Re4 -","4","1","","You, Fei; Friedman, Lee A.; Bassett, Kimberley C.; Lin, Yunqing; Sabat, Michal; Harman, W. Dean","Rhenium(I) η2-Coordinated Furan Complexes: Converting Furan into a 1,3-Carbon Dipole","Organometallics","2005","24","12","2903","","10.1021/om050075h","","","0.71073","MoKα","","0.056","0.035","","","0.0582","0.0625","","","","","","0.872","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075806","14.2873","0.0006","11.7338","0.0005","16.441","0.0007","90","","104.268","0.001","90","","2671.2","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 B N8 O3 Re -","- C24 H30 B N8 O3 Re -","- C96 H120 B4 N32 O12 Re4 -","4","1","","You, Fei; Friedman, Lee A.; Bassett, Kimberley C.; Lin, Yunqing; Sabat, Michal; Harman, W. Dean","Rhenium(I) η2-Coordinated Furan Complexes: Converting Furan into a 1,3-Carbon Dipole","Organometallics","2005","24","12","2903","","10.1021/om050075h","","","0.71073","MoKα","","0.0251","0.0201","","","0.0443","0.0451","","","","","","0.922","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075807","14.9271","0.0007","11.7351","0.0006","16.1451","0.0008","90","","107.317","0.001","90","","2700","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 B N8 O3 Re -","- C25 H32 B N8 O3 Re -","- C100 H128 B4 N32 O12 Re4 -","4","1","","You, Fei; Friedman, Lee A.; Bassett, Kimberley C.; Lin, Yunqing; Sabat, Michal; Harman, W. Dean","Rhenium(I) η2-Coordinated Furan Complexes: Converting Furan into a 1,3-Carbon Dipole","Organometallics","2005","24","12","2903","","10.1021/om050075h","","","0.71073","MoKα","","0.0281","0.0223","","","0.047","0.0479","","","","","","0.924","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075808","10.652","0.0002","11.734","0.0001","16.121","0.0002","103.535","0.0009","96.215","0.0009","110.867","0.0009","1789.33","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 Cl2 F2 N2 Ni P2 -","- C40 H30 Cl2 F2 N2 Ni P2 -","- C80 H60 Cl4 F4 N4 Ni2 P4 -","2","1","","Steffen, Andreas; Sladek, Marianna I.; Braun, Thomas; Neumann, Beate; Stammler, Hans-Georg","Catalytic C−C Coupling Reactions at Nickel by C−F Activation of a Pyrimidine in the Presence of a C−Cl Bond: The Crucial Role of Highly Reactive Fluoro Complexes","Organometallics","2005","24","16","4057","","10.1021/om050080l","","","0.71073","MoKα","","0.0487","0.0339","","","0.0792","0.0847","","","","","","1.046","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075809","15.858","0.0001","11.677","0.0001","20.038","0.0002","90","","110.995","0.0006","90","","3464.18","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cl F3 N2 P2 Pd -","- C40 H30 Cl F3 N2 P2 Pd -","- C160 H120 Cl4 F12 N8 P8 Pd4 -","4","1","","Steffen, Andreas; Sladek, Marianna I.; Braun, Thomas; Neumann, Beate; Stammler, Hans-Georg","Catalytic C−C Coupling Reactions at Nickel by C−F Activation of a Pyrimidine in the Presence of a C−Cl Bond: The Crucial Role of Highly Reactive Fluoro Complexes","Organometallics","2005","24","16","4057","","10.1021/om050080l","","","0.71073","MoKα","","0.035","0.0259","","","0.0605","0.0636","","","","","","1.03","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075810","12.436","0.0002","13.196","0.0002","15.318","0.0003","77.159","0.0011","72.601","0.0009","83.734","0.001","2336.3","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.5 H47 Cl2 F N2 Ni P2 -","- C56.5 H47 Cl2 F N2 Ni P2 -","- C113 H94 Cl4 F2 N4 Ni2 P4 -","2","1","","Steffen, Andreas; Sladek, Marianna I.; Braun, Thomas; Neumann, Beate; Stammler, Hans-Georg","Catalytic C−C Coupling Reactions at Nickel by C−F Activation of a Pyrimidine in the Presence of a C−Cl Bond: The Crucial Role of Highly Reactive Fluoro Complexes","Organometallics","2005","24","16","4057","","10.1021/om050080l","","","0.71073","MoKα","","0.0453","0.0328","","","0.0748","0.0808","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075811","25.082","0.005","14.3889","0.0002","18.7925","0.0003","90","","105.055","0.001","90","","6549.5","1.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H34 N2 S2 Si2 Zn -","- C12 H33 N2 S2 Si2 Zn -","- C144 H396 N24 S24 Si24 Zn12 -","12","1.5","","DeGroot, Marty W.; Corrigan, John F.","Coordination Complexes of Zinc with Reactive ESiMe3(E = S, Se, Te) Ligands","Organometallics","2005","24","14","3378","","10.1021/om050088v","","x-ray","0.71073","MoKα","","0.0818","0.0442","","","0.1047","0.118","","","","","","1.113","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075812","9.9388","0.0002","17.7413","0.0004","15.1322","0.0004","90","","94.876","0.0011","90","","2658.56","0.11","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 N2 S2 Si2 Zn -","- C20 H36 N2 S2 Si2 Zn -","- C80 H144 N8 S8 Si8 Zn4 -","4","1","","DeGroot, Marty W.; Corrigan, John F.","Coordination Complexes of Zinc with Reactive ESiMe3(E = S, Se, Te) Ligands","Organometallics","2005","24","14","3378","","10.1021/om050088v","","x-ray","0.71073","MoKα","","0.1075","0.0455","","","0.0916","0.1073","","","","","","1.008","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075813","9.1381","0.0008","9.9833","0.0009","16.591","0.002","95.712","0.004","91.288","0.003","116.026","0.008","1349.6","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 N2 Se2 Si2 Zn -","- C20 H36 N2 Se2 Si2 Zn -","- C40 H72 N4 Se4 Si4 Zn2 -","2","1","","DeGroot, Marty W.; Corrigan, John F.","Coordination Complexes of Zinc with Reactive ESiMe3(E = S, Se, Te) Ligands","Organometallics","2005","24","14","3378","","10.1021/om050088v","","x-ray","0.71073","MoKα","","0.0934","0.0728","","","0.1703","0.1792","","","","","","1.109","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075814","8.2987","0.0002","14.8275","0.0003","20.5498","0.0004","90","","110.96","0.001","90","","2361.31","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N2 Si2 Te2 Zn -","- C12 H34 N2 Si2 Te2 Zn -","- C48 H136 N8 Si8 Te8 Zn4 -","4","1","","DeGroot, Marty W.; Corrigan, John F.","Coordination Complexes of Zinc with Reactive ESiMe3(E = S, Se, Te) Ligands","Organometallics","2005","24","14","3378","","10.1021/om050088v","","x-ray","0.71073","MoKα","","0.0662","0.0337","","","0.0606","0.0691","","","","","","1.012","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075815","9.111","0.0007","9.5138","0.0009","14.4104","0.0011","103.118","0.004","98.306","0.004","110.229","0.004","1106.98","0.17","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Hf N2 O -","- C24 H32 Hf N2 O -","- C48 H64 Hf2 N4 O2 -","2","1","","Yasumoto, Takahiro; Yamagata, Tsuneaki; Mashima, Kazushi","Isoselective Living Polymerization of 1-Hexene Catalyzed by Half-Metallocene Dimethyl Complexes of Hafnium with Bidentate N-Substituted (Iminomethyl)pyrrolyl Ligands","Organometallics","2005","24","14","3375","","10.1021/om050108t","","","0.71075","MoKα","","0.0381","0.0363","","","0.0982","0.0992","","","","","","1.141","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075816","12.9296","0.0002","12.9776","0.0002","22.904","0.0003","90","","105.394","0.001","90","","3705.3","0.1","100","","100","","","","","","","","THF/Toluene","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 B F15 O2 S Zr -","- C40 H28 B F15 O2 S Zr -","- C160 H112 B4 F60 O8 S4 Zr4 -","4","1","","Lian, Bing; Lehmann, Christian W.; Navarro, Christophe; Carpentier, Jean-François","Model Studies of Methacrylate Chain Transfer Polymerization Mediated by Cationic Zirconocenetert-Butyl Enolate","Organometallics","2005","24","10","2466","","10.1021/om050119m","","","0.71073","MoKα","","0.0603","0.0349","","","0.0623","0.0697","","","","","","1.015","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075817","16.191","0.003","15.763","0.003","19.781","0.004","90","","90","","90","","5048.5","1.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 B9 Rh -","- C24 H32 B9 Rh -","- C192 H256 B72 Rh8 -","8","1","","Safronov, Alexander V.; Dolgushin, Fedor M.; Petrovskii, Pavel V.; Chizhevsky, Igor T.","Low-Temperature “1,2 →1,7” Isomerization of Sterically Crowded Icosahedralcloso-((2,3,8-η3):(5,6-η2)- Norbornadien-2-yl)rhodacarborane via the Formation of a Pseudocloso Intermediate. Molecular Structures of [3,3-((2,3,8-η3):(5,6-η2)-C7H7CH2)-1,2-(4‘-MeC6H4)2- 3,1,2-pseudocloso-RhC2B9H9] and 1,2 →1,7 Isomerized Products","Organometallics","2005","24","12","2964","","10.1021/om050125i","","","0.71073","MoKα","","0.1223","0.0419","","","0.0935","0.109","","","","","","0.849","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4075818","11.495","0.002","15.988","0.003","13.396","0.003","90","","100.015","0.004","90","","2424.4","0.8","115","1","115","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 B9 Rh -","- C24 H32 B9 Rh -","- C96 H128 B36 Rh4 -","4","1","","Safronov, Alexander V.; Dolgushin, Fedor M.; Petrovskii, Pavel V.; Chizhevsky, Igor T.","Low-Temperature “1,2 →1,7” Isomerization of Sterically Crowded Icosahedralcloso-((2,3,8-η3):(5,6-η2)- Norbornadien-2-yl)rhodacarborane via the Formation of a Pseudocloso Intermediate. Molecular Structures of [3,3-((2,3,8-η3):(5,6-η2)-C7H7CH2)-1,2-(4‘-MeC6H4)2- 3,1,2-pseudocloso-RhC2B9H9] and 1,2 →1,7 Isomerized Products","Organometallics","2005","24","12","2964","","10.1021/om050125i","","","0.71073","MoKα","","0.0527","0.0459","","","0.1071","0.1107","","","","","","1.015","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075819","12.7644","0.0013","12.327","0.0012","15.8631","0.0016","90","","100.063","0.002","90","","2457.6","0.4","110","1","110","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 B9 Rh -","- C24 H32 B9 Rh -","- C96 H128 B36 Rh4 -","4","1","","Safronov, Alexander V.; Dolgushin, Fedor M.; Petrovskii, Pavel V.; Chizhevsky, Igor T.","Low-Temperature “1,2 →1,7” Isomerization of Sterically Crowded Icosahedralcloso-((2,3,8-η3):(5,6-η2)- Norbornadien-2-yl)rhodacarborane via the Formation of a Pseudocloso Intermediate. Molecular Structures of [3,3-((2,3,8-η3):(5,6-η2)-C7H7CH2)-1,2-(4‘-MeC6H4)2- 3,1,2-pseudocloso-RhC2B9H9] and 1,2 →1,7 Isomerized Products","Organometallics","2005","24","12","2964","","10.1021/om050125i","","","0.71073","MoKα","","0.1104","0.0587","","","0.1321","0.1455","","","","","","0.945","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075820","11.4483","0.0011","19.4368","0.0019","43.765","0.004","90","","90","","90","","9738.5","1.6","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 N2 O Pd -","- C35 H48 N2 O Pd -","- C420 H576 N24 O12 Pd12 -","12","3","","Kang, Myeongsoon; Sen, Ayusman","Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity","Organometallics","2005","24","14","3508","3515","10.1021/om050126a","","","0.71073","MoKα","","0.0474","0.0395","","","0.0861","0.0893","","","","","","1.115","","","","has coordinates","210320","2020-10-21","18:00:00",""
"4075821","9.6685","0.0004","13.0421","0.0006","14.892","0.0007","71.67","0.001","81.25","0.001","71.083","0.001","1683.65","0.13","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 O Pd -","- C38 H46 N2 O Pd -","- C76 H92 N4 O2 Pd2 -","2","1","","Kang, Myeongsoon; Sen, Ayusman","Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity","Organometallics","2005","24","14","3508","3515","10.1021/om050126a","","","0.71073","MoKα","","0.0415","0.0364","","","0.0937","0.0962","","","","","","1.056","","","","has coordinates","210320","2020-10-21","18:00:00",""
"4075822","8.8271","0.0004","19.8265","0.001","22.4034","0.0011","90","","94.913","0.001","90","","3906.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 N3 Pd -","- C44 H57 N3 Pd -","- C176 H228 N12 Pd4 -","4","1","","Kang, Myeongsoon; Sen, Ayusman","Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity","Organometallics","2005","24","14","3508","3515","10.1021/om050126a","","","0.71073","MoKα","","0.0282","0.0256","","","0.0677","0.0693","","","","","","1.056","","","","has coordinates","210320","2020-10-21","18:00:00",""
"4075823","6.4722","0.0015","10.3","0.002","17.749","0.004","90","","90","","90","","1183.2","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 B8 Fe -","- C8 H16 B8 Fe -","- C32 H64 B32 Fe4 -","4","1","","Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R.","Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11","Organometallics","2005","24","18","4387","","10.1021/om050139o","","","0.71073","MoKα","","0.0482","0.0415","","","0.0895","0.0922","","","","","","1.069","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075824","6.7971","0.0012","9.9299","0.0018","17.569","0.003","90","","91.42","0.004","90","","1185.4","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 B8 Fe -","- C8 H16 B8 Fe -","- C32 H64 B32 Fe4 -","4","1","","Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R.","Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11","Organometallics","2005","24","18","4387","","10.1021/om050139o","","","0.71073","MoKα","","0.0723","0.0425","","","0.075","0.0813","","","","","","0.935","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075825","10.141","0.004","14.429","0.004","24.061","0.007","90","","90","","90","","3521","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H26 B8 Ru -","- C13 H26 B8 Ru -","- C104 H208 B64 Ru8 -","8","1","","Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R.","Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11","Organometallics","2005","24","18","4387","","10.1021/om050139o","","","0.71073","MoKα","","0.1177","0.0608","","","0.1251","0.1411","","","","","","1.02","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075826","11.254","0.0001","13.4683","0.0001","20.6529","0.0002","90","","100.32","0.0004","90","","3079.77","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Br2 N4 O Pt -","- C28 H46 Br2 N4 O Pt -","- C112 H184 Br8 N16 O4 Pt4 -","4","1","","Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard","Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes","Organometallics","2005","24","12","2944","","10.1021/om050144s","","","0.71073","MoKα","","0.0364","0.0304","","","0.0684","0.0705","","","","","","1.133","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075827","9.9208","0.0001","11.6735","0.0001","21.8509","0.0002","90","","99.9722","0.0005","90","","2492.33","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 Pt -","- C26 H28 N2 Pt -","- C104 H112 N8 Pt4 -","4","1","","Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard","Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes","Organometallics","2005","24","12","2944","","10.1021/om050144s","","","0.71073","MoKα","","0.0297","0.0208","","","0.0451","0.0474","","","","","","1.049","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075828","10.091","0.001","9.3702","0.0007","23.476","0.003","90","","111.232","0.007","90","","2069.1","0.4","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C45 H48 Br2 N2 P2 Pt -","- C45 H48 Br2 N2 P2 Pt -","- C90 H96 Br4 N4 P4 Pt2 -","2","0.5","","Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard","Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes","Organometallics","2005","24","12","2944","","10.1021/om050144s","","","0.71073","MoKα","","0.0339","0.0322","","","0.0881","0.0891","","","","","","1.095","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075829","11.0727","0.0001","17.2827","0.0002","18.1957","0.0002","86.1892","0.0007","79.81","0.0008","82.8972","0.0004","3397.27","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H74 Cl6 N2 Pd2 Pt S4 -","- C52 H74 Cl6 N2 Pd2 Pt S4 -","- C104 H148 Cl12 N4 Pd4 Pt2 S8 -","2","1","","Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard","Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes","Organometallics","2005","24","12","2944","","10.1021/om050144s","","","0.71073","MoKα","","0.0489","0.0391","","","0.1047","0.1104","","","","","","1.072","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075830","12.644","0.002","14.45","0.003","13.141","0.003","90","","118.007","0.003","90","","2119.8","0.7","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","4,6-Dilithiodibenzofuran-1.5(tmeda)","","","- C42 H60 Li4 N6 O2 -","- C42 H60 Li4 N6 O2 -","- C84 H120 Li8 N12 O4 -","2","1","","Wang, Huadong; Gabbaï, François P.","Synthesis, Structure, and Cyclic Voltammetry of 4,6-Bis(dimesitylboryl)dibenzofuran: Isolation of 4,6-Dilithiobenzofuran and 4,5-Dilithio-9,9-dimethylxanthene as tmeda Adducts","Organometallics","2005","24","12","2898","","10.1021/om050165m","","","0.71073","MoKα","","0.138","0.0814","","","0.1611","0.1876","","","","","","1.003","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075831","13.03","0.002","17.639","0.003","20.807","0.004","90","","90","","90","","4782.2","1.4","110","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","4,5-Dilithio-9,9-dimethylxanthene-1.5(tmeda)","","","- C48 H72 Li4 N6 O2 -","- C48 H72 Li4 N6 O2 -","- C192 H288 Li16 N24 O8 -","4","0.5","","Wang, Huadong; Gabbaï, François P.","Synthesis, Structure, and Cyclic Voltammetry of 4,6-Bis(dimesitylboryl)dibenzofuran: Isolation of 4,6-Dilithiobenzofuran and 4,5-Dilithio-9,9-dimethylxanthene as tmeda Adducts","Organometallics","2005","24","12","2898","","10.1021/om050165m","","","0.71073","MoKα","","0.0733","0.0493","","","0.1329","0.1542","","","","","","1.067","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075832","15.976","0.003","18.738","0.004","16.169","0.003","90","","114.29","0.03","90","","4411.8","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,6-bis(dimesitylboryl)dibenzofuran","","","- C55 H58 B2 O -","- C55 H58 B2 O -","- C220 H232 B8 O4 -","4","1","","Wang, Huadong; Gabbaï, François P.","Synthesis, Structure, and Cyclic Voltammetry of 4,6-Bis(dimesitylboryl)dibenzofuran: Isolation of 4,6-Dilithiobenzofuran and 4,5-Dilithio-9,9-dimethylxanthene as tmeda Adducts","Organometallics","2005","24","12","2898","","10.1021/om050165m","","","0.71073","MoKα","","0.1161","0.0871","","","0.172","0.2086","","","","","","1.009","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075833","8.5944","0.0015","17.482","0.003","18.411","0.003","102.425","0.003","96.536","0.003","95.131","0.003","2665.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N2 P Pb Si2 -","- C24 H33 N2 P Pb Si2 -","- C96 H132 N8 P4 Pb4 Si8 -","4","2","","Murso, Alexander; Straka, Michal; Kaupp, Martin; Bertermann, Rüdiger; Stalke, Dietmar","A Heterotopically Chelated Low-Valent Lead Amide1","Organometallics","2005","24","14","3576","","10.1021/om0501677","","","0.71073","MoKα","","0.0206","0.0179","","","0.0405","0.0412","","","","","","1.085","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075834","13.128","0.003","46.24","0.01","10.72","0.003","90","","102.89","0.02","90","","6343","3","298.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H90 O Si4 -","- C64 H90 O Si4 -","- C256 H360 O4 Si16 -","4","1","","Naka, Akinobu; Ohnishi, Hidenobu; Ohshita, Joji; Ikadai, Junnai; Kunai, Atsutaka; Ishikawa, Mitsuo","Silicon−Carbon Unsaturated Compounds. 70. Thermolysis and Photolysis of Acylpolysilanes with Mesitylacetylene","Organometallics","2005","24","22","5356","","10.1021/om050174v","","","0.7107","MoKα","","","0.064","","","","0.059","","","","","","1.342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075835","28.993","0.003","11.078","0.0011","21.234","0.002","90","","125.623","0.002","90","","5543.8","1","130","2","130","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C60 H69 F3 N2 O6 P2 Ru S -","- C60 H69 F3 N2 O6 P2 Ru S -","- C240 H276 F12 N8 O24 P8 Ru4 S4 -","4","1","","Smurnyy, Yegor; Bibal, Christine; Pink, Maren; Caulton, Kenneth G.","New Features of Bis(phosphinimine)-“carbene” Binding to RuII","Organometallics","2005","24","16","3849","","10.1021/om050180r","","","0.71073","MoKα","","0.0588","0.0446","","","0.1027","0.1095","","","","","","1.026","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4075836","7.9524","0.0018","13.352","0.003","8.6274","0.0019","90","","94.698","0.004","90","","913","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N S -","- C9 H13 N S -","- C36 H52 N4 S4 -","4","1","","Wilton-Ely, James D. E. T.; Pogorzelec, Peter J.; Honarkhah, Sanaz J.; Reid, David H.; Tocher, Derek A.","Mixed-Donor Ligands: Pyrrolecarbaldehyde and Pyrrolecarbothioaldehyde σ-Organyl Complexes of Ruthenium(II) and Osmium(II)","Organometallics","2005","24","12","2862","","10.1021/om050186g","","","0.71073","MoKα","","0.0798","0.059","","","0.1332","0.1425","","","","","","1.068","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075837","10.7792","0.0005","12.3603","0.0006","16.5312","0.0008","74.565","0.001","76.514","0.001","72.986","0.001","2001.13","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H45 N O P2 Ru S -","- C48 H45 N O P2 Ru S -","- C96 H90 N2 O2 P4 Ru2 S2 -","2","1","","Wilton-Ely, James D. E. T.; Pogorzelec, Peter J.; Honarkhah, Sanaz J.; Reid, David H.; Tocher, Derek A.","Mixed-Donor Ligands: Pyrrolecarbaldehyde and Pyrrolecarbothioaldehyde σ-Organyl Complexes of Ruthenium(II) and Osmium(II)","Organometallics","2005","24","12","2862","","10.1021/om050186g","","","0.71073","MoKα","","0.0388","0.0359","","","0.0904","0.0925","","","","","","1.039","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075838","49.254","0.003","9.4757","0.0006","23.9076","0.0015","90","","116.917","0.001","90","","9949.2","1.1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H53 N O P2 Ru S -","- C62 H53 N O P2 Ru S -","- C496 H424 N8 O8 P16 Ru8 S8 -","8","1","","Wilton-Ely, James D. E. T.; Pogorzelec, Peter J.; Honarkhah, Sanaz J.; Reid, David H.; Tocher, Derek A.","Mixed-Donor Ligands: Pyrrolecarbaldehyde and Pyrrolecarbothioaldehyde σ-Organyl Complexes of Ruthenium(II) and Osmium(II)","Organometallics","2005","24","12","2862","","10.1021/om050186g","","","0.71073","MoKα","","0.0619","0.0468","","","0.0965","0.1029","","","","","","1.056","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075839","10.9041","0.0005","14.015","0.0006","15.4302","0.0007","87.229","0.001","75.606","0.001","67.224","0.001","2102.91","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H43 N O2 P2 Ru -","- C51 H43 N O2 P2 Ru -","- C102 H86 N2 O4 P4 Ru2 -","2","1","","Wilton-Ely, James D. E. T.; Pogorzelec, Peter J.; Honarkhah, Sanaz J.; Reid, David H.; Tocher, Derek A.","Mixed-Donor Ligands: Pyrrolecarbaldehyde and Pyrrolecarbothioaldehyde σ-Organyl Complexes of Ruthenium(II) and Osmium(II)","Organometallics","2005","24","12","2862","","10.1021/om050186g","","","0.71073","MoKα","","0.0637","0.0618","","","0.1405","0.1416","","","","","","1.112","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075840","32.628","0.004","8.475","0.0009","33.522","0.004","90","","92.507","0.002","90","","9260.7","1.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 Cl N2 Ni -","- C26 H31 Cl N2 Ni -","- C416 H496 Cl16 N32 Ni16 -","16","2","","Kelly, Roy A.; Scott, Natalie M.; Díez-González, Silvia; Stevens, Edwin D.; Nolan, Steven P.","Simple Synthesis of CpNi(NHC)Cl Complexes (Cp = Cyclopentadienyl; NHC = N-Heterocyclic Carbene)","Organometallics","2005","24","14","3442","","10.1021/om0501879","","","0.71073","MoKα","","0.0925","0.0915","","","0.2155","0.2158","","","","","","1.165","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075841","18.4334","0.0007","13.3687","0.0005","14.2661","0.0006","90","","92.982","0.001","90","","3510.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Cl N2 Ni -","- C39 H49 Cl N2 Ni -","- C156 H196 Cl4 N8 Ni4 -","4","1","","Kelly, Roy A.; Scott, Natalie M.; Díez-González, Silvia; Stevens, Edwin D.; Nolan, Steven P.","Simple Synthesis of CpNi(NHC)Cl Complexes (Cp = Cyclopentadienyl; NHC = N-Heterocyclic Carbene)","Organometallics","2005","24","14","3442","","10.1021/om0501879","","","0.71073","MoKα","","0.035","0.0276","","","0.0731","0.0763","","","","","","1.011","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075842","12.7389","0.0006","14.5152","0.0007","16.6898","0.0008","90","","105.828","0.001","90","","2969.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 Cl N2 Ni -","- C32 H43 Cl N2 Ni -","- C128 H172 Cl4 N8 Ni4 -","4","1","","Kelly, Roy A.; Scott, Natalie M.; Díez-González, Silvia; Stevens, Edwin D.; Nolan, Steven P.","Simple Synthesis of CpNi(NHC)Cl Complexes (Cp = Cyclopentadienyl; NHC = N-Heterocyclic Carbene)","Organometallics","2005","24","14","3442","","10.1021/om0501879","","","0.71073","MoKα","","0.0358","0.031","","","0.0866","0.0952","","","","","","1.187","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075843","8.3272","0.0003","9.3265","0.0003","16.8608","0.0006","90","","90","","90","","1309.47","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl Ni P -","- C11 H20 Cl Ni P -","- C44 H80 Cl4 Ni4 P4 -","4","1","","Kelly, Roy A.; Scott, Natalie M.; Díez-González, Silvia; Stevens, Edwin D.; Nolan, Steven P.","Simple Synthesis of CpNi(NHC)Cl Complexes (Cp = Cyclopentadienyl; NHC = N-Heterocyclic Carbene)","Organometallics","2005","24","14","3442","","10.1021/om0501879","","","0.71073","MoKα","","0.0184","0.0184","","","0.0476","0.0476","","","","","","1.657","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075844","14.5127","0.0009","27.2407","0.0017","14.6617","0.0009","90","","92.308","0.001","90","","5791.6","0.6","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-(1,1-cyclopentylidenedimethylidyne)bis(2,6-bis(1-methylethyl)- benzenamine)","","- C31 H44 N2 -","- C31 H44 N2 -","- C248 H352 N16 -","8","2","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0858","0.0578","","","0.1632","0.1922","","","","","","1.008","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075845","11.6301","0.0005","11.6674","0.0005","11.9371","0.0005","77.15","0.001","71.05","0.001","69.572","0.001","1424.74","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","N,N'-(1,1-cyclohexylidenedimethylidyne)bis(2,6-bis(1-methylethyl)- benzenamine)","","- C32 H46 N2 -","- C32 H46 N2 -","- C64 H92 N4 -","2","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0516","0.0423","","","0.1108","0.1193","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075846","21.2936","0.0011","12.1438","0.0006","12.0665","0.0007","90","","90","","90","","3120.2","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","{N,N'-(1,1-cyclopentylidenedimethylidyne)bis(2,6-bis(1-methylethyl)- benzenamine)}-dichloro-palladium(II)","","- C31 H45 Cl2 N2 Pd -","- C31 H44 Cl2 N2 Pd -","- C124 H176 Cl8 N8 Pd4 -","4","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0377","0.0274","","","0.0618","0.0665","","","","","","1.002","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075847","12.1042","0.0005","17.2671","0.0007","21.1808","0.0008","90","","90","","90","","4426.9","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{N,N'-(1,1-cyclohexylidenedimethylidyne)bis(2,6-bis(1-methylethyl)- benzenamine)}-dichloro-palladium(II) tris-chloroform solvate","","- C35 H49 Cl11 N2 Pd -","- C35 H49 Cl11 N2 Pd -","- C140 H196 Cl44 N8 Pd4 -","4","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.048","0.0391","","","0.097","0.1031","","","","","","1.03","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075848","10.8303","0.0007","18.3935","0.0011","11.8584","0.0007","90","","91.664","0.001","90","","2361.3","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{N,N'-(1,1-cyclopentylidenemethylidyne)bis(1,1-dimethylethaneamine)}- dichloro-palladium(II) chloroform solvate","","- C16 H29 Cl5 N2 Pd -","- C16 H29 Cl5 N2 Pd -","- C64 H116 Cl20 N8 Pd4 -","4","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0549","0.0408","","","0.096","0.1032","","","","","","1.014","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075849","26.0226","0.001","19.716","0.0007","16.4642","0.0006","90","","126.735","0.001","90","","6769.6","0.4","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{N,N'-(1,1-dyclopentylidenemethylidyne)bis(2,6-bis(1-methylethyl)- benzeneamine)}-tetrachloro-dipalladium(II)","","- C31 H44 Cl4 N2 Pd2 -","- C31 H44 Cl4 N2 Pd2 -","- C248 H352 Cl32 N16 Pd16 -","8","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0647","0.0395","","","0.0827","0.0931","","","","","","1.012","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075850","15.1188","0.0007","13.3814","0.0006","17.6356","0.0008","90","","115.189","0.001","90","","3228.6","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{N,N'-(1,1-cyclopentylidenedimethylidyne)bis(2,6-bis(1-methylethyl) benzenamine)}-dibromo-nickel(II)","","- C31 H44 Br2 N2 Ni -","- C31 H44 Br2 N2 Ni -","- C124 H176 Br8 N8 Ni4 -","4","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0537","0.0334","","","0.0825","0.0924","","","","","","1.01","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075851","16.7","0.003","23.066","0.005","21.127","0.004","90","","90","","90","","8138","3","120","2","120","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C65 H32 Cl6 N2 O28 P2 Rh12 -","- C65 H26 Cl6 N2 O28 P2 Rh12 -","- C260 H104 Cl24 N8 O112 P8 Rh48 -","4","0.5","","Koshevoy, Igor O.; Haukka, Matti; Pakkanen, Tapani A.; Tunik, Sergey P.; Vainiotalo, Pirjo","Supermolecular Assembly of Tetra- and Hexanuclear Carbonyl Clusters Using a Novel Polydentate Pyridylphosphine Ligand","Organometallics","2005","24","14","3516","","10.1021/om0502032","","","0.71073","MoKα","","0.0387","0.0311","","","0.0643","0.0674","","","","","","1.045","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075852","9.9103","0.0006","12.8948","0.0008","14.9814","0.001","89.197","0.004","89.266","0.005","71.65","0.004","1816.9","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H26 N2 O30 P2 Ru12 -","- C66 H26 N2 O30 P2 Ru12 -","- C66 H26 N2 O30 P2 Ru12 -","1","0.5","","Koshevoy, Igor O.; Haukka, Matti; Pakkanen, Tapani A.; Tunik, Sergey P.; Vainiotalo, Pirjo","Supermolecular Assembly of Tetra- and Hexanuclear Carbonyl Clusters Using a Novel Polydentate Pyridylphosphine Ligand","Organometallics","2005","24","14","3516","","10.1021/om0502032","","","0.71073","MoKα","","0.0787","0.0464","","","0.1063","0.1216","","","","","","1.056","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075853","30.9444","0.0004","17.9287","0.0002","35.4368","0.0005","90","","114.522","0.005","90","","17886.8","0.8","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74.5 H50 Cl3 N2 O29 P2 Rh6 Ru6 -","- C74.47 H49.93 Cl3 N2 O29 P2 Rh6 Ru6 -","- C595.76 H399.44 Cl24 N16 O232 P16 Rh48 Ru48 -","8","2","","Koshevoy, Igor O.; Haukka, Matti; Pakkanen, Tapani A.; Tunik, Sergey P.; Vainiotalo, Pirjo","Supermolecular Assembly of Tetra- and Hexanuclear Carbonyl Clusters Using a Novel Polydentate Pyridylphosphine Ligand","Organometallics","2005","24","14","3516","","10.1021/om0502032","","","0.71073","MoKα","","0.0754","0.053","","","0.1326","0.1462","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075854","9.7965","0.0007","18.9469","0.0013","21.085","0.0014","68.782","0.001","86.598","0.001","89.305","0.001","3641.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 F15 N Pd -","- C36 H40 F15 N Pd -","- C144 H160 F60 N4 Pd4 -","4","2","","Forniés, Juan; Martín, Antonio; Martín, L. Francisco; Menjón, Babil; Tsipis, Athanassios","All-Organometallic Analogues of Zeise's Salt for the Three Group 10 Metals","Organometallics","2005","24","14","3539","","10.1021/om0502077","","","0.71073","MoKα","","0.0589","0.0423","","","0.0982","0.1066","","","","","","1.06","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075855","22.6221","0.0006","13.3919","0.0003","19.7152","0.0005","90","","101.282","0.002","90","","5857.4","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H73 Al N6 P2 Si4 Ta2 -","- C52 H72.531 Al N6 P2 Si4 Ta2 -","- C208 H290.124 Al4 N24 P8 Si16 Ta8 -","4","1","","MacKay, Bruce A.; Patrick, Brian O.; Fryzuk, Michael D.","Hydroalumination of a Dinuclear Tantalum Dinitrogen Complex: N−N Bond Cleavage and Ancillary Ligand Rearrangement","Organometallics","2005","24","16","3836","","10.1021/om050208z","","","0.71069","MoKα","","0.0403","0.0257","","","0.06","0.0665","","","","","","0.865","","","","has coordinates,has disorder","287896","2023-11-30","16:33:03",""
"4075856","20.4244","0.0005","19.9666","0.0005","29.2898","0.0008","90","","90","","90","","11944.6","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H73 Al N6 P2 Si4 Ta2 -","- C52 H73 Al N6 P2 Si4 Ta2 -","- C416 H584 Al8 N48 P16 Si32 Ta16 -","8","1","","MacKay, Bruce A.; Patrick, Brian O.; Fryzuk, Michael D.","Hydroalumination of a Dinuclear Tantalum Dinitrogen Complex: N−N Bond Cleavage and Ancillary Ligand Rearrangement","Organometallics","2005","24","16","3836","","10.1021/om050208z","","","0.71069","MoKα","","0.0771","0.0344","","","0.0726","0.087","","","","","","0.833","","","","has coordinates,has disorder","287896","2023-11-30","16:33:03",""
"4075857","10.1787","0.0005","14.5223","0.0006","13.365","0.0006","90","","102.214","0.001","90","","1930.87","0.15","86","2","86","2","","","","","","","","5","P 1 n 1","P -2yac","7","bis-diazolePdCl2 + 0.5MeCN","","","- C16 H25.5 Cl2 N4.5 Pd -","- C16 H25.5 Cl2 N4.5 Pd -","- C64 H102 Cl8 N18 Pd4 -","4","2","","Jin, Chuan-Ming; Twamley, Brendan; Shreeve, Jean'ne M.","Low-Melting Dialkyl- and Bis(polyfluoroalkyl)-Substituted 1,1‘-Methylenebis(imidazolium) and 1,1‘-Methylenebis(1,2,4-triazolium) Bis(trifluoromethanesulfonyl)amides: Ionic Liquids Leading to Bis(N-heterocyclic carbene) Complexes of Palladium","Organometallics","2005","24","12","3020","","10.1021/om050210q","","","0.71073","MoKα","","0.032","0.0311","","","0.0721","0.0725","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075858","18.274","0.004","18.582","0.004","27.929","0.006","96.925","0.004","103.277","0.004","90.856","0.004","9154","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C200 H189 Cl13 N3 O1.5 P12 Ru3 -","- C200 H184 Cl13 N3 O1.5 P12 Ru3 -","- C400 H368 Cl26 N6 O3 P24 Ru6 -","2","1","","Hu, Quan Yuan; Lu, Wei Xin; Tang, Hong Ding; Sung, Herman H. Y.; Wen, Ting Bin; Williams, Ian D.; Wong, George K. L.; Lin, Zhenyang; Jia, Guochen","Synthesis and Photophysical Properties of Trimetallic Acetylide Complexes with a 1,3,5-Triazine Core","Organometallics","2005","24","16","3966","","10.1021/om0502133","","","0.71073","MoKα","","0.1604","0.0724","","","0.1497","0.1713","","","","","","0.988","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075859","16.9698","0.0018","19.859","0.002","9.5866","0.001","90","","90","","90","","3230.7","0.6","193","2","193","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C30 H25 F3 Ge N2 O8 S W -","- C30.8 H25 F3 Ge N2 O8 S W -","- C123.2 H100 F12 Ge4 N8 O32 S4 W4 -","4","0.5","","Saur, Isabelle; Garcia Alonso, Sonia; Gornitzka, Heinz; Lemierre, Virginie; Chrostowska, Anna; Barrau, Jacques","In Search of Cationic Germanium(II)−Transition Metal Complexes L2Ge+W(CO)5and L2Ge+W(CO)4Ge+L2","Organometallics","2005","24","12","2988","","10.1021/om050214v","","","0.71073","MoKα","","0.0282","0.0216","","","0.0507","0.0539","","","","","","1.07","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075860","13.9239","0.0009","9.7981","0.0007","14.1029","0.0009","90","","93.837","0.001","90","","1919.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 I2 In N2 -","- C17 H17 I2 In N2 -","- C68 H68 I8 In4 N8 -","4","1","","Saur, Isabelle; Garcia Alonso, Sonia; Gornitzka, Heinz; Lemierre, Virginie; Chrostowska, Anna; Barrau, Jacques","In Search of Cationic Germanium(II)−Transition Metal Complexes L2Ge+W(CO)5and L2Ge+W(CO)4Ge+L2","Organometallics","2005","24","12","2988","","10.1021/om050214v","","","0.71073","MoKα","","0.0244","0.0217","","","0.0546","0.0557","","","","","","1.066","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075861","10.4796","0.0014","9.5423","0.0012","19.334","0.003","90","","103.309","0.002","90","","1881.5","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl2 Ge2 N4 O4 W -","- C38 H34 Cl2 Ge2 N4 O4 W -","- C76 H68 Cl4 Ge4 N8 O8 W2 -","2","0.5","","Saur, Isabelle; Garcia Alonso, Sonia; Gornitzka, Heinz; Lemierre, Virginie; Chrostowska, Anna; Barrau, Jacques","In Search of Cationic Germanium(II)−Transition Metal Complexes L2Ge+W(CO)5and L2Ge+W(CO)4Ge+L2","Organometallics","2005","24","12","2988","","10.1021/om050214v","","","0.71073","MoKα","","0.0432","0.0275","","","0.0526","0.0567","","","","","","0.999","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075862","11.4867","0.001","17.2181","0.0015","21.581","0.002","90","","99.684","0.006","90","","4207.5","0.7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 B10 N O3 P2 Re -","- C41 H42 B10 N O3 P2 Re -","- C164 H168 B40 N4 O12 P8 Re4 -","4","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0581","0.0341","","","0.0723","0.0787","","","","","","1.029","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075863","11.5244","0.0015","17.356","0.002","21.248","0.003","90","","99.847","0.006","90","","4187.4","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 B10 Mn N O3 P2 -","- C41 H42 B10 Mn N O3 P2 -","- C164 H168 B40 Mn4 N4 O12 P8 -","4","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0608","0.0398","","","0.0939","0.1017","","","","","","1.044","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075864","13.9958","0.001","21.935","0.0015","14.3679","0.001","90","","103.707","0.003","90","","4285.3","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 B10 N O3 P2 Re -","- C42 H44 B10 N O3 P2 Re -","- C168 H176 B40 N4 O12 P8 Re4 -","4","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0576","0.0351","","","0.0833","0.0901","","","","","","1.077","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075865","7.1474","0.0005","7.204","0.0005","14.5058","0.0009","86.494","0.004","86.862","0.003","67.238","0.003","687.05","0.08","110","2","110","2","","","","","","","","7","P 1","P 1","1","","","","- C4 H11 B10 Cl N O3 Re -","- C4 H11 B10 Cl N O3 Re -","- C8 H22 B20 Cl2 N2 O6 Re2 -","2","2","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0287","0.0257","","","0.0634","0.0639","","","","","","1.028","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075866","9.108","0.0004","13.0195","0.0005","13.6694","0.0005","64.507","0.002","83.966","0.002","71.187","0.002","1383.88","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H27 B10 Cu O3 P Re -","- C23 H27 B10 Cu O3 P Re -","- C46 H54 B20 Cu2 O6 P2 Re2 -","2","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0247","0.0204","","","0.0478","0.0485","","","","","","1.044","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075867","8.973","0.007","12.99","0.011","13.75","0.012","64.6","0.05","84.03","0.05","70.23","0.05","1361","2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H27 Au B10 O3 P Re -","- C23 H27 Au B10 O3 P Re -","- C46 H54 Au2 B20 O6 P2 Re2 -","2","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.033","0.0257","","","0.0635","0.0654","","","","","","1.078","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075868","9.9527","0.0009","20.7859","0.0019","19.0028","0.0018","90","","93.238","0.004","90","","3924.9","0.6","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 B10 Cu2 P2 -","- C38 H42 B10 Cu2 P2 -","- C152 H168 B40 Cu8 P8 -","4","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0628","0.039","","","0.089","0.0971","","","","","","1.063","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075869","10.0075","0.0012","10.0075","0.0012","15.452","0.004","90","","90","","120","","1340.2","0.4","161","2","161","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C31 H48 U -","- C31 H48 U -","- C62 H96 U2 -","2","0.166667","","Evans, William J.; Kozimor, Stosh A.; Ziller, Joseph W.","Facile Triphenylborane-Based Syntheses of the Sterically Crowded Tris(pentamethylcyclopentadienyl) Complexes (C5Me5)3UMe and (C5Me5)3UCl","Organometallics","2005","24","14","3407","","10.1021/om050230s","","","0.71073","MoKα","","0.0451","0.0294","","","0.0603","0.0719","","","","","","1.263","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075870","9.299","0.002","13.881","0.004","16.137","0.004","69.988","0.005","83.06","0.005","74.169","0.005","1882.1","0.8","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H59 B O U -","- C44 H59 B O U -","- C88 H118 B2 O2 U2 -","2","1","","Evans, William J.; Kozimor, Stosh A.; Ziller, Joseph W.","Facile Triphenylborane-Based Syntheses of the Sterically Crowded Tris(pentamethylcyclopentadienyl) Complexes (C5Me5)3UMe and (C5Me5)3UCl","Organometallics","2005","24","14","3407","","10.1021/om050230s","","","0.71073","MoKα","","0.0913","0.0657","","","0.1646","0.1834","","","","","","1.045","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075871","29.717","0.01","11.72","0.003","6.498","0.002","90","","90","","90","","2263.1","1.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H23 P3 -","- C27 H23 P3 -","- C108 H92 P12 -","4","1","","Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.","Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments","Organometallics","2005","24","12","3024","","10.1021/om050236h","","","0.71073","MoKα","","0.0829","0.0366","","0.1009","0.085","","","","1.067","1.188","1.188","","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075872","13.044","0.002","10.5451","0.0016","9.0834","0.0014","90","","102.569","0.003","90","","1219.5","0.3","110","1","110","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl O2 P -","- C11 H16 Cl O2 P -","- C44 H64 Cl4 O8 P4 -","4","1","","Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.","Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments","Organometallics","2005","24","12","3024","","10.1021/om050236h","","","0.71073","MoKα","","0.0607","0.0504","","","0.1293","0.1397","","","","","","1.073","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075873","10.8977","0.0011","10.9949","0.0015","16.459","0.002","78.178","0.004","79.98","0.004","76.357","0.004","1859.4","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Cl2 P2 Zr -","- C42 H56 Cl2 P2 Zr -","- C84 H112 Cl4 P4 Zr2 -","2","1","","Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.","Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments","Organometallics","2005","24","12","3024","","10.1021/om050236h","","","0.71073","MoKα","","0.0686","0.0468","","","0.0921","0.0982","","","","","","1.028","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4075874","8.5662","0.0016","20.264","0.004","11.765","0.002","90","","102.098","0.004","90","","1996.9","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl2 P Zr -","- C22 H21 Cl2 P Zr -","- C88 H84 Cl8 P4 Zr4 -","4","1","","Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.","Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments","Organometallics","2005","24","12","3024","","10.1021/om050236h","","","0.71073","MoKα","","0.0824","0.0573","","","0.1292","0.143","","","","","","0.887","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075875","10.1403","0.0018","11.598","0.002","21.762","0.004","90","","90","","90","","2559.4","0.8","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 P2 Zr -","- C26 H24 Cl2 P2 Zr -","- C104 H96 Cl8 P8 Zr4 -","4","1","","Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.","Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments","Organometallics","2005","24","12","3024","","10.1021/om050236h","","","0.71073","MoKα","","0.0937","0.0702","","","0.1692","0.1855","","","","","","1.012","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075876","12.1883","0.0007","13.0252","0.0008","22.5108","0.0013","74.456","0.001","88.66","0.001","65.427","0.001","3115.3","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H99 Si4 Y4 -","- C51 H99 Si4 Y4 -","- C102 H198 Si8 Y8 -","2","1","","Luo, Yi; Baldamus, Jens; Tardif, Olivier; Hou, Zhaomin","DFT Study of the Tetranuclear Lutetium and Yttrium Polyhydride Cluster Complexes [(C5Me4SiMe3)4Ln4H8] (Ln = Lu, Y) that Contain a Four-Coordinate Hydrogen Atom","Organometallics","2005","24","18","4362","","10.1021/om0502382","","","0.71073","MoKα","","0.0459","0.0329","","","0.081","0.0857","","","","","","1.033","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075877","12.854","0.002","18.717","0.003","20.397","0.004","90","","91.713","0.003","90","","4905.1","1.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H35 B F15 N P2 -","- C56 H35 B F15 N P2 -","- C224 H140 B4 F60 N4 P8 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization","Organometallics","2005","24","12","2889","","10.1021/om050242d","","","0.71073","MoKα","","0.1344","0.0488","","","0.0924","0.1082","","","","","","0.799","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075878","11.51","0.003","12.42","0.003","13.015","0.004","70.071","0.004","87.406","0.004","79.134","0.006","1717.4","0.8","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.5 H20 B Cl F15 P -","- C37.5 H19 B Cl F15 P -","- C75 H38 B2 Cl2 F30 P2 -","2","1","","Bavarian, Neda; Baird, Michael C.","Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization","Organometallics","2005","24","12","2889","","10.1021/om050242d","","","0.71073","MoKα","","0.2019","0.0657","","","0.1146","0.1433","","","","","","0.809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075879","16","0.008","13.449","0.007","17.474","0.008","90","","90","","90","","3760","3","453","2","453","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H29 B F15 P -","- C42 H29 B F15 P -","- C168 H116 B4 F60 P4 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization","Organometallics","2005","24","12","2889","","10.1021/om050242d","","","0.71073","MoKα","","0.1796","0.0373","","","0.0365","0.0494","","","","","","0.593","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075880","8.34","0.002","15.235","0.004","23.409","0.006","90","","90","","90","","2974.3","1.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 B F15 N -","- C31 H23 B F15 N -","- C124 H92 B4 F60 N4 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization","Organometallics","2005","24","12","2889","","10.1021/om050242d","","","0.71073","MoKα","","0.1021","0.0431","","","0.0728","0.0836","","","","","","0.81","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075881","8.332","0.006","13.691","0.01","28.59","0.02","90","","90.57","0.013","90","","3261","4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 B F15 N -","- C36 H24.55 B F15 N -","- C144 H98.2 B4 F60 N4 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization","Organometallics","2005","24","12","2889","","10.1021/om050242d","","","0.71073","MoKα","","0.1628","0.0634","","","0.1324","0.1571","","","","","","0.843","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075882","11.5484","0.0009","11.8609","0.0009","14.8731","0.0012","102.802","0.002","93.928","0.002","94.868","0.002","1971.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H49 Mo N5 Si2 -","- C39.5 H49 Mo N5 Si2 -","- C79 H98 Mo2 N10 Si4 -","2","1","","Ison, Elon A.; Ortiz, Carlos O.; Abboud, Khalil; Boncella, James M.","Synthesis and Reactivity of Molybdenum(IV) Complexes with Alkyl and Aryl Isocyanides","Organometallics","2005","24","26","6310","","10.1021/om0502436","","","0.71073","MoKα","","0.052","0.0349","","","0.0758","0.0788","","","","","","0.915","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075883","10.4614","0.0006","18.571","0.001","19.715","0.001","90","","90","","90","","3830.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H54 Mo N6 Si2 -","- C33 H54 Mo N6 Si2 -","- C132 H216 Mo4 N24 Si8 -","4","1","","Ison, Elon A.; Ortiz, Carlos O.; Abboud, Khalil; Boncella, James M.","Synthesis and Reactivity of Molybdenum(IV) Complexes with Alkyl and Aryl Isocyanides","Organometallics","2005","24","26","6310","","10.1021/om0502436","","","0.71073","MoKα","","0.1086","0.0483","","","0.0854","0.0992","","","","","","0.91","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075884","11.4653","0.0012","13.799","0.0014","20.264","0.002","90.006","0.002","100.229","0.002","112.571","0.002","2905.1","0.5","293","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H73 Mo N7 O Si2 -","- C54 H63 Mo N7 Si2 -","- C108 H126 Mo2 N14 Si4 -","2","1","","Ison, Elon A.; Ortiz, Carlos O.; Abboud, Khalil; Boncella, James M.","Synthesis and Reactivity of Molybdenum(IV) Complexes with Alkyl and Aryl Isocyanides","Organometallics","2005","24","26","6310","","10.1021/om0502436","","","0.71073","MoKα","","0.0868","0.0484","","","0.0981","0.1038","","","","","","0.814","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075885","7.1237","0.0004","11.3329","0.0006","17.3278","0.0009","90","","90","","90","","1398.91","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C60 H56 N16 O8 -","4","1","","Fantauzzi, Simone; Gallo, Emma; Caselli, Alessandro; Ragaini, Fabio; Macchi, Piero; Casati, Nicola; Cenini, Sergio","Origin of the Deactivation in Styrene Aziridination by Aryl Azides, Catalyzed by Ruthenium Porphyrin Complexes. Structural Characterization of a Δ2-1,2,3-Triazoline RuII(TPP)CO Complex","Organometallics","2005","24","20","4710","","10.1021/om050244y","","","0.71073","MoKα","","0.0498","0.0405","","","0.1058","0.1115","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075886","36.219","0.004","10.0641","0.0011","27.304","0.003","90","","98.732","0.004","90","","9837.3","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H42 N8 O3 Ru -","- C60 H42 N8 O3 Ru -","- C480 H336 N64 O24 Ru8 -","8","1","","Fantauzzi, Simone; Gallo, Emma; Caselli, Alessandro; Ragaini, Fabio; Macchi, Piero; Casati, Nicola; Cenini, Sergio","Origin of the Deactivation in Styrene Aziridination by Aryl Azides, Catalyzed by Ruthenium Porphyrin Complexes. Structural Characterization of a Δ2-1,2,3-Triazoline RuII(TPP)CO Complex","Organometallics","2005","24","20","4710","","10.1021/om050244y","","","0.71069","MoKα","","0.1076","0.0583","","","0.1455","0.1746","","","","","","1.111","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075887","11.498","0.002","28.649","0.005","14.131","0.002","90","","94.87","0.02","90","","4638","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis{(1,3-diethyl-4,5-dimethyl)imidazolylyliden}nitridotechnetium(V) dichloride'","","- C36 H64 Cl2 N9 Tc -","- C36 H64 Cl2 N9 Tc -","- C144 H256 Cl8 N36 Tc4 -","4","1","","Braband, Henrik; Abram, Ulrich","Nitridotechnetium(V) Complexes with N-Heterocyclic Carbenes and Unexpected (OSiMe2OSiMe2O)2-Coligands","Organometallics","2005","24","14","3362","","10.1021/om050245q","","","0.71073","MoKα","","0.1059","0.0588","","","0.1611","0.1984","","","","","","0.933","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075888","10.057","0.002","18.112","0.003","15.597","0.003","90","","95.44","0.01","90","","2828.2","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{(1,3-Diethyl-4,5-dimethyl)imidazolylyliden}- (1,1,3,3-tetramethyldisiloxane-1,3-diolato)nitridotechnetium(V)","","- C22 H44 N5 O3 Si2 Tc -","- C22 H44 N5 O3 Si2 Tc -","- C88 H176 N20 O12 Si8 Tc4 -","4","1","","Braband, Henrik; Abram, Ulrich","Nitridotechnetium(V) Complexes with N-Heterocyclic Carbenes and Unexpected (OSiMe2OSiMe2O)2-Coligands","Organometallics","2005","24","14","3362","","10.1021/om050245q","","","0.71073","MoKα","","0.036","0.0296","","","0.079","0.0842","","","","","","1.071","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075889","9.294","0.002","35.556","0.007","9.554","0.001","90","","115.4","0.01","90","","2852","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{(1,3-Diethyl-4,5-dimethyl)imidazolylyliden}(dimethyphenylphosphine)- (1,1,3,3-tetramethyldisiloxane-1,3-diolato)nitridotechnetium(V)","","- C21 H39 N3 O3 P Si2 Tc -","- C21 H39 N3 O3 P Si2 Tc -","- C84 H156 N12 O12 P4 Si8 Tc4 -","4","1","","Braband, Henrik; Abram, Ulrich","Nitridotechnetium(V) Complexes with N-Heterocyclic Carbenes and Unexpected (OSiMe2OSiMe2O)2-Coligands","Organometallics","2005","24","14","3362","","10.1021/om050245q","","","0.71073","MoKα","","0.1452","0.0602","","","0.1325","0.1997","","","","","","0.863","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075890","12.367","0.004","20.625","0.005","35.067","0.007","90","","91.24","0.02","90","","8942","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H52 Cl Mn2 O11 P3 Sn -","- C35.5 H52 Cl Mn2 O11 P3 Sn -","- C284 H416 Cl8 Mn16 O88 P24 Sn8 -","8","1","","Liu, Xiang-Yang; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio","Phosphonate−Stannylene Coupling in the Reactions of the Anion [Mn2{μ-OP(OEt)2}{μ-P(OEt)2}(CO)6]2-with SnR2Cl2(R = Bu, Ph)","Organometallics","2005","24","14","3527","","10.1021/om050250u","","","0.71073","MoKα","","0.1332","0.0669","","","0.181","0.2217","","","","","","1.153","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075891","10.0703","0.0006","18.1219","0.0011","18.3053","0.0011","90","","95.4228","0.0012","90","","3325.6","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H45 Cl P2 Ru -","- C39 H45 Cl P2 Ru -","- C156 H180 Cl4 P8 Ru4 -","4","1","","Derrah, Eric J.; Marlinga, Jazmin C.; Mitra, Debbie; Friesen, Dawn M.; Hall, Shaun A.; McDonald, Robert; Rosenberg, Lisa","Electronic Control of Conformation in Mixed-Phosphine Complexes of the Ruthenium η5-Indenyl Fragment","Organometallics","2005","24","24","5817","","10.1021/om050259w","","","0.71073","MoKα","","0.0689","0.0478","","","0.1102","0.1188","","","","","","1.07","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075892","13.7599","0.0008","11.3513","0.0006","21.8632","0.0012","90","","107.716","0.001","90","","3252.9","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Cl P2 Ru -","- C39 H33 Cl P2 Ru -","- C156 H132 Cl4 P8 Ru4 -","4","1","","Derrah, Eric J.; Marlinga, Jazmin C.; Mitra, Debbie; Friesen, Dawn M.; Hall, Shaun A.; McDonald, Robert; Rosenberg, Lisa","Electronic Control of Conformation in Mixed-Phosphine Complexes of the Ruthenium η5-Indenyl Fragment","Organometallics","2005","24","24","5817","","10.1021/om050259w","","","0.71073","MoKα","","0.0535","0.0391","","","0.0998","0.106","","","","","","1.094","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075893","20.8844","0.0009","8.6214","0.0004","19.8587","0.0009","90","","112.129","0.0007","90","","3312.2","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 P2 Ru -","- C39 H46 P2 Ru -","- C156 H184 P8 Ru4 -","4","1","","Derrah, Eric J.; Marlinga, Jazmin C.; Mitra, Debbie; Friesen, Dawn M.; Hall, Shaun A.; McDonald, Robert; Rosenberg, Lisa","Electronic Control of Conformation in Mixed-Phosphine Complexes of the Ruthenium η5-Indenyl Fragment","Organometallics","2005","24","24","5817","","10.1021/om050259w","","","0.71073","MoKα","","0.0221","0.0208","","","0.0539","0.0555","","","","","","1.064","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075894","9.8422","0.0009","17.8223","0.0017","18.2126","0.0017","90","","103.079","0.0014","90","","3111.8","0.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 P2 Ru -","- C39 H34 P2 Ru -","- C156 H136 P8 Ru4 -","4","1","","Derrah, Eric J.; Marlinga, Jazmin C.; Mitra, Debbie; Friesen, Dawn M.; Hall, Shaun A.; McDonald, Robert; Rosenberg, Lisa","Electronic Control of Conformation in Mixed-Phosphine Complexes of the Ruthenium η5-Indenyl Fragment","Organometallics","2005","24","24","5817","","10.1021/om050259w","","","0.71073","MoKα","","0.0265","0.0229","","","0.0601","0.0626","","","","","","1.034","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075895","16.579","0.0016","9.777","0.001","42.188","0.002","90","","95.12","0.0006","90","","6811.1","1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-Disila(Dewar-benzene)","","","- C30 H62 Si4 -","- C30 H62 Si4 -","- C240 H496 Si32 -","8","2","","Nakata, Norio; Oikawa, Toru; Matsumoto, Takeshi; Kabe, Yoshio; Sekiguchi, Akira","Silyl-Substituted 1,4-Disila(Dewar benzene): New Synthesis and Unexpected Insertion of CO into the Si−Si Bond To Form a Disilyl Ketone","Organometallics","2005","24","14","3368","","10.1021/om050261n","","","0.7107","MoKα","","0.1012","0.0665","","","0.1689","0.1941","","","","","","1.02","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075896","8.857","0.0004","25.973","0.0009","15.844","0.0006","90","","104.607","0.0005","90","","3527","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Disilylketone","","","- C31 H62 O Si4 -","- C31 H62 O Si4 -","- C124 H248 O4 Si16 -","4","1","","Nakata, Norio; Oikawa, Toru; Matsumoto, Takeshi; Kabe, Yoshio; Sekiguchi, Akira","Silyl-Substituted 1,4-Disila(Dewar benzene): New Synthesis and Unexpected Insertion of CO into the Si−Si Bond To Form a Disilyl Ketone","Organometallics","2005","24","14","3368","","10.1021/om050261n","","","0.7107","MoKα","","0.0569","0.0436","","","0.1173","0.1254","","","","","","1.029","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075897","11.294","0.005","12.976","0.005","13.286","0.005","96.15","0.03","105.97","0.03","111.14","0.03","1699.1","1.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C58 H86 Al2 O4 S2 -","- C58 H86 Al2 O4 S2 -","- C58 H86 Al2 O4 S2 -","1","0.5","","Janas, Zofia; Jerzykiewicz, Lucjan B.; Sobota, Piotr; Szczegot, Krzysztof","Homo- and Heterometallic Aluminum and Titanium Complexes of Tridentate (OSO) Ligand: Synthesis, Structure, and Catalytic Activity","Organometallics","2005","24","16","3987","","10.1021/om050271o","","x-ray","0.71073","MoKα","","0.1605","0.0644","","","0.059","0.0699","","","","","","1.187","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075898","9.018","0.003","21.743","0.004","21.141","0.004","90","","90.3","0.02","90","","4145.2","1.8","100","","100","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H130 Al2 O14 S2 Ti2 -","- C76 H130 Al2 O14 S2 Ti2 -","- C152 H260 Al4 O28 S4 Ti4 -","2","0.5","","Janas, Zofia; Jerzykiewicz, Lucjan B.; Sobota, Piotr; Szczegot, Krzysztof","Homo- and Heterometallic Aluminum and Titanium Complexes of Tridentate (OSO) Ligand: Synthesis, Structure, and Catalytic Activity","Organometallics","2005","24","16","3987","","10.1021/om050271o","","x-ray","0.71073","MoKα","","0.1623","0.0737","","","0.0621","0.0712","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075899","15.478","0.004","22.14","0.005","23.719","0.005","90","","97.32","0.03","90","","8062","3","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H104 Cl6 O6 S2 Ti3 -","- C66 H104 Cl6 O6 S2 Ti3 -","- C264 H416 Cl24 O24 S8 Ti12 -","4","1","","Janas, Zofia; Jerzykiewicz, Lucjan B.; Sobota, Piotr; Szczegot, Krzysztof","Homo- and Heterometallic Aluminum and Titanium Complexes of Tridentate (OSO) Ligand: Synthesis, Structure, and Catalytic Activity","Organometallics","2005","24","16","3987","","10.1021/om050271o","","x-ray","0.71073","MoKα","","0.152","0.0638","","","0.078","0.109","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075900","7.011","0.003","13.791","0.006","17.957","0.005","79.1","0.03","81.8","0.03","78.79","0.03","1662.3","1.1","100","","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C66 H106 O7 S2 Ti2 -","- C66 H106 O7 S2 Ti2 -","- C66 H106 O7 S2 Ti2 -","1","0.5","","Janas, Zofia; Jerzykiewicz, Lucjan B.; Sobota, Piotr; Szczegot, Krzysztof","Homo- and Heterometallic Aluminum and Titanium Complexes of Tridentate (OSO) Ligand: Synthesis, Structure, and Catalytic Activity","Organometallics","2005","24","16","3987","","10.1021/om050271o","","x-ray","0.71073","MoKα","","0.1289","0.051","","","0.0467","0.0553","","","","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075901","9.901","0.0002","6.929","0.0001","16.5575","0.0003","90","","90","","90","","1135.91","0.03","143","2","143","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H9 Au Br3 N -","- C5 H9 Au Br3 N -","- C20 H36 Au4 Br12 N4 -","4","0.5","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Attempted Oxidative Addition of Halogens to (Isocyanide)gold(I) Complexes§","Organometallics","2005","24","14","3547","","10.1021/om0502739","","","0.71073","MoKα","","0.0299","0.0277","","","0.0631","0.064","","","","","","1.16","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075902","9.3917","0.0002","14.2228","0.0003","18.0534","0.0003","90","","90","","90","","2411.51","0.08","143","2","143","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C14 H22 Au I5 N2 -","- C14 H22 Au I5 N2 -","- C56 H88 Au4 I20 N8 -","4","0.25","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Attempted Oxidative Addition of Halogens to (Isocyanide)gold(I) Complexes§","Organometallics","2005","24","14","3547","","10.1021/om0502739","","","0.71073","MoKα","","0.0225","0.0224","","","0.0526","0.0527","","","","","","1.282","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075903","16.1578","0.0006","6.5733","0.0003","19.8037","0.0009","90","","100.284","0.0017","90","","2069.57","0.15","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Au2 I4 N2 -","- C10 H18 Au2 I4 N2 -","- C40 H72 Au8 I16 N8 -","4","0.5","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Attempted Oxidative Addition of Halogens to (Isocyanide)gold(I) Complexes§","Organometallics","2005","24","14","3547","","10.1021/om0502739","","","0.71073","MoKα","","0.0373","0.0365","","","0.0969","0.0978","","","","","","1.162","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075904","10.783","0.002","7.306","0.001","13.147","0.002","90","","104.39","0.02","90","","1003.2","0.3","178.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis-[(4aR,8aR)-4a,8a-Dimethyl-1,4a,5,8a-tetrahydro-naphthalene-2,6-dione]-palladium(0)","","- C24 H28 O4 Pd -","- C24 H28 O4 Pd -","- C48 H56 O8 Pd2 -","2","1","","Grundl, Marc A.; Kennedy-Smith, Joshua J.; Trauner, Dirk","Rational Design of a Chiral Palladium(0) Olefin Complex of Unprecedented Stability","Organometallics","2005","24","12","2831","","10.1021/om050277d","","x-ray","0.7107","MoKα","","0.0508","0.0433","","0.0521","","0.0506","","","","","","1.74","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075905","20.5438","0.0004","9.0415","0.0002","38.2879","0.0007","90","","101.141","0.0009","90","","6977.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H57 N4 O12 P3 W3 -","- C75 H57 N4 O12 P3 W3 -","- C300 H228 N16 O48 P12 W12 -","4","1","","Yeh, Wen-Yann; Hsiao, Shu-Ching; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis of the N(CH2CH2NCH(o-C6H4)PPh2)3Ligand and Its Complexation with Tungsten Carbonyls To Form a 47-Membered Cryptand-Like Metallatricycle","Organometallics","2005","24","14","3365","","10.1021/om050281p","","","0.71073","MoKα","","0.1054","0.0528","","","0.1166","0.1587","","","","","","1.064","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075906","33.3154","0.0004","36.4677","0.0004","28.8983","0.0003","90","","124.343","0.0005","90","","28989","0.6","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C151.5 H158 Cl7 N8 O11.5 P6 W3 -","- C151.5 H155 Cl7 N8 O11.5 P6 W3 -","- C1212 H1240 Cl56 N64 O92 P48 W24 -","8","1","","Yeh, Wen-Yann; Hsiao, Shu-Ching; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis of the N(CH2CH2NCH(o-C6H4)PPh2)3Ligand and Its Complexation with Tungsten Carbonyls To Form a 47-Membered Cryptand-Like Metallatricycle","Organometallics","2005","24","14","3365","","10.1021/om050281p","","","0.71073","MoKα","","0.1202","0.0731","","","0.1898","0.2347","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075907","25.0077","0.0003","17.1191","0.0002","17.6639","0.0002","90","","118.088","0.001","90","","6671.46","0.15","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H35 B F4 Ni P2 -","- C39 H35 B F4 Ni P2 -","- C312 H280 B8 F32 Ni8 P16 -","8","1","","Gareau, Daniel; Sui-Seng, Christine; Groux, Laurent F.; Brisse, François; Zargarian, Davit","Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin Ligand: Preparation, Characterization, and Catalytic Activities","Organometallics","2005","24","16","4003","","10.1021/om050285u","","","1.54178","CuKα","","0.0628","0.0511","","","0.1463","0.1532","","","","","","1.071","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075908","9.1559","0.0001","10.4614","0.0002","15.5498","0.0002","90.512","0.001","106.265","0.001","113.833","0.001","1295.17","0.04","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C31 H28 Cl Ni P -","- C31 H28 Cl Ni P -","- C62 H56 Cl2 Ni2 P2 -","2","1","","Gareau, Daniel; Sui-Seng, Christine; Groux, Laurent F.; Brisse, François; Zargarian, Davit","Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin Ligand: Preparation, Characterization, and Catalytic Activities","Organometallics","2005","24","16","4003","","10.1021/om050285u","","","1.54178","CuKα","","0.0428","0.0388","","","0.1072","0.121","","","","","","1.12","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075909","28.763","0.009","10.667","0.01","19.103","0.011","90","","97.44","0.03","90","","5812","7","203","2","203","2","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cl Ni P Si -","- C32 H32 Cl Ni P Si -","- C256 H256 Cl8 Ni8 P8 Si8 -","8","1","","Gareau, Daniel; Sui-Seng, Christine; Groux, Laurent F.; Brisse, François; Zargarian, Davit","Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin Ligand: Preparation, Characterization, and Catalytic Activities","Organometallics","2005","24","16","4003","","10.1021/om050285u","","","0.71073","MoKα","","0.1633","0.046","","","0.1252","0.1667","","","","","","0.802","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075910","15.9152","0.0002","32.7827","0.0003","16.5352","0.0002","90","","104.518","0.001","90","","8351.66","0.17","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H48 B Ni P -","- C55 H48 B Ni P -","- C440 H384 B8 Ni8 P8 -","8","2","","Gareau, Daniel; Sui-Seng, Christine; Groux, Laurent F.; Brisse, François; Zargarian, Davit","Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin Ligand: Preparation, Characterization, and Catalytic Activities","Organometallics","2005","24","16","4003","","10.1021/om050285u","","","1.54178","CuKα","","0.0623","0.0434","","","0.1126","0.1199","","","","","","0.958","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075911","10.3056","0.0007","16.2965","0.0011","33.568","0.002","90","","96.119","0.005","90","","5605.5","0.6","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H63 B Ni P2 -","- C73 H63 B Ni P2 -","- C292 H252 B4 Ni4 P8 -","4","1","","Gareau, Daniel; Sui-Seng, Christine; Groux, Laurent F.; Brisse, François; Zargarian, Davit","Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin Ligand: Preparation, Characterization, and Catalytic Activities","Organometallics","2005","24","16","4003","","10.1021/om050285u","","","1.54178","CuKα","","0.1059","0.0787","","","0.1966","0.2172","","","","","","0.998","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075912","8.3124","0.001","10.519","0.0007","26.0587","0.0018","90","","90","","90","","2278.5","0.4","200","2","200","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 N Ta -","- C25 H38 N Ta -","- C100 H152 N4 Ta4 -","4","1","","Galakhov, Mikhail V.; Gómez, Manuel; Gómez-Sal, Pilar; Velasco, Patricia","Alkylation, Insertion of Isocyanides, and Intramolecular Rearrangement Processes in Azatantalacyclopentene Complexes. X-ray Crystal Structure of [TaCp*Me2(CHCHCMe2NAr-κ2C,N)] (Cp* = η5-C5Me5; Ar = 2,6-Me2C6H3)§","Organometallics","2005","24","14","3552","","10.1021/om050289z","","x-ray","0.71073","MoKα","","0.0454","0.0351","","","0.0644","0.067","","","","","","1.036","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075913","9.3288","0.001","10.7266","0.0008","12.8123","0.001","103.002","0.006","99.34","0.007","99.322","0.007","1206.09","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 Ge O2 P Se2 -","- C22 H25 Ge O2 P Se2 -","- C44 H50 Ge2 O4 P2 Se4 -","2","1","","Liu, C. W.; Lobana, Tarlok S.; Xiao, Jie-Liang; Liu, Hong-Yuan; Liaw, Ben-Jie; Hung, Chiu-Ming; Lin, Zhenyang","Syntheses, Structures, and VT NMR Studies of Diselenophosphates of Group 14 Organometals. DFT Calculations for Gas-Phase Stability of Dinuclear Ions, [(Ph3M)2{μ-Se, Se-P(OR)2}]+(M = Ge, Sn, and Pb)","Organometallics","2005","24","16","4072","","10.1021/om050291q","","","0.71073","MoKα","","0.0555","0.0407","","","0.1028","0.1129","","","","","","1.029","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075914","9.498","0.0018","10.2047","0.0016","13.0089","0.0019","97.55","0.012","91.667","0.016","98.835","0.013","1233.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 O2 P Se2 Sn -","- C22 H25 O2 P Se2 Sn -","- C44 H50 O4 P2 Se4 Sn2 -","2","1","","Liu, C. W.; Lobana, Tarlok S.; Xiao, Jie-Liang; Liu, Hong-Yuan; Liaw, Ben-Jie; Hung, Chiu-Ming; Lin, Zhenyang","Syntheses, Structures, and VT NMR Studies of Diselenophosphates of Group 14 Organometals. DFT Calculations for Gas-Phase Stability of Dinuclear Ions, [(Ph3M)2{μ-Se, Se-P(OR)2}]+(M = Ge, Sn, and Pb)","Organometallics","2005","24","16","4072","","10.1021/om050291q","","","0.71073","MoKα","","0.0377","0.0325","","","0.0807","0.0842","","","","","","1.055","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075915","9.5653","0.0015","10.4242","0.0015","13.5634","0.0016","96.147","0.009","90.109","0.012","99.216","0.012","1327","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 O2 P Se2 Sn -","- C24 H29 O2 P Se2 Sn -","- C48 H58 O4 P2 Se4 Sn2 -","2","1","","Liu, C. W.; Lobana, Tarlok S.; Xiao, Jie-Liang; Liu, Hong-Yuan; Liaw, Ben-Jie; Hung, Chiu-Ming; Lin, Zhenyang","Syntheses, Structures, and VT NMR Studies of Diselenophosphates of Group 14 Organometals. DFT Calculations for Gas-Phase Stability of Dinuclear Ions, [(Ph3M)2{μ-Se, Se-P(OR)2}]+(M = Ge, Sn, and Pb)","Organometallics","2005","24","16","4072","","10.1021/om050291q","","","0.71073","MoKα","","0.0417","0.0365","","","0.0902","0.0937","","","","","","1.031","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075916","9.4973","0.0011","10.7536","0.0018","13.0308","0.0018","103.449","0.011","99.553","0.007","99.378","0.011","1247.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 O2 P Pb Se2 -","- C22 H25 O2 P Pb Se2 -","- C44 H50 O4 P2 Pb2 Se4 -","2","1","","Liu, C. W.; Lobana, Tarlok S.; Xiao, Jie-Liang; Liu, Hong-Yuan; Liaw, Ben-Jie; Hung, Chiu-Ming; Lin, Zhenyang","Syntheses, Structures, and VT NMR Studies of Diselenophosphates of Group 14 Organometals. DFT Calculations for Gas-Phase Stability of Dinuclear Ions, [(Ph3M)2{μ-Se, Se-P(OR)2}]+(M = Ge, Sn, and Pb)","Organometallics","2005","24","16","4072","","10.1021/om050291q","","","0.71073","MoKα","","0.0505","0.0429","","","0.106","0.1107","","","","","","1.045","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075917","10.955","0.002","17.776","0.003","17.809","0.003","88.888","0.004","88.098","0.005","85.405","0.005","3454.5","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H80 Cl2 Fe P4 Ru -","- C77 H80 Cl2 Fe P4 Ru -","- C154 H160 Cl4 Fe2 P8 Ru2 -","2","1","","Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Ellis, Benjamin G.; Halet, Jean-François; Lapinte, Claude; Low, Paul J.; Smith, Mark E.; Skelton, Brian W.; Toupet, Loic; White, Allan H.","Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}]n+(n= 0, 1, 2)","Organometallics","2005","24","16","3864","","10.1021/om050293a","","","0.71073","MoKα","","0.108","0.051","","0.062","","0.054","","","1.016","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075918","10.925","0.0007","17.892","0.001","17.678","0.001","89.292","0.002","88.455","0.002","85.264","0.002","3442.3","0.4","150","","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H84 Fe P4 Ru -","- C82 H84 Fe P4 Ru -","- C164 H168 Fe2 P8 Ru2 -","2","1","","Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Ellis, Benjamin G.; Halet, Jean-François; Lapinte, Claude; Low, Paul J.; Smith, Mark E.; Skelton, Brian W.; Toupet, Loic; White, Allan H.","Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}]n+(n= 0, 1, 2)","Organometallics","2005","24","16","3864","","10.1021/om050293a","","","0.71073","MoKα","","0.076","0.057","","0.14","","0.098","","","1.565","","","1.179","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075919","8.5154","0.0005","20.07","0.001","19.316","0.001","90","","90.503","0.002","90","","3301.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H78 F6 Fe P5 Ru -","- C76 H78 F6 Fe P5 Ru -","- C152 H156 F12 Fe2 P10 Ru2 -","2","0.5","","Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Ellis, Benjamin G.; Halet, Jean-François; Lapinte, Claude; Low, Paul J.; Smith, Mark E.; Skelton, Brian W.; Toupet, Loic; White, Allan H.","Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}]n+(n= 0, 1, 2)","Organometallics","2005","24","16","3864","","10.1021/om050293a","","","0.71073","MoKα","","0.055","0.038","","0.049","","0.046","","","1.066","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075920","12.246","0.002","15.975","0.003","17.889","0.003","80.484","0.003","86.577","0.003","76.503","0.003","3355.3","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C81.5 H75 Cl Fe P4 Ru -","- C81.5 H75 Cl Fe P4 Ru -","- C163 H150 Cl2 Fe2 P8 Ru2 -","2","1","","Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Ellis, Benjamin G.; Halet, Jean-François; Lapinte, Claude; Low, Paul J.; Smith, Mark E.; Skelton, Brian W.; Toupet, Loic; White, Allan H.","Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}]n+(n= 0, 1, 2)","Organometallics","2005","24","16","3864","","10.1021/om050293a","","","0.71073","MoKα","","0.103","0.059","","0.083","","0.07","","","0.961","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075921","13.241","0.002","14.279","0.002","20.629","0.003","102.33","0.002","91.366","0.002","111.702","0.002","3517.5","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H74 F6 Fe P5 Ru -","- C81 H74 F6 Fe P5 Ru -","- C162 H148 F12 Fe2 P10 Ru2 -","2","1","","Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Ellis, Benjamin G.; Halet, Jean-François; Lapinte, Claude; Low, Paul J.; Smith, Mark E.; Skelton, Brian W.; Toupet, Loic; White, Allan H.","Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}]n+(n= 0, 1, 2)","Organometallics","2005","24","16","3864","","10.1021/om050293a","","","0.71073","MoKα","","0.077","0.054","","0.087","","0.081","","","1.06","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075922","12.9851","0.0002","15.3597","0.0002","21.9668","0.0003","73.8673","0.0007","89.2884","0.0006","66.3856","0.0005","3831.85","0.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H82 Cl4 F12 Fe O P6 Ru -","- C78 H82 Cl4 F12 Fe1.17 O0.7 P6 Ru0.91 -","- C156 H164 Cl8 F24 Fe2.34 O1.4 P12 Ru1.82 -","2","1","","Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Ellis, Benjamin G.; Halet, Jean-François; Lapinte, Claude; Low, Paul J.; Smith, Mark E.; Skelton, Brian W.; Toupet, Loic; White, Allan H.","Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}]n+(n= 0, 1, 2)","Organometallics","2005","24","16","3864","","10.1021/om050293a","","","0.71069","MoKα","","0.074","0.0579","","","0.1452","0.1578","","","","","","1.049","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075923","36.005","0.001","9.883","0.001","17.784","0.001","90","","117.52","0.001","90","","5612.2","0.7","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 Cl2 D12 N2 P2 Pd2 -","- C56 H86 Cl2 N2 P2 Pd2 -","- C224 H344 Cl8 N8 P8 Pd8 -","4","0.5","","Boubekeur, Leïla; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","Coordination Chemistry of Inversely Polarized Phosphaalkenes toward Group 10 Metal Centers","Organometallics","2005","24","16","3856","","10.1021/om0502943","","","0.71069","MoKα","","0.0489","0.0334","","","0.0841","0.0912","","","","","","1.061","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075924","12.151","0.001","16.803","0.001","22.697","0.001","90","","100.89","0.001","90","","4550.7","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H39.5 Cl14.5 N2 P2 Pd2 -","- C27 H39 Cl13 N2 P2 Pd2 -","- C108 H156 Cl52 N8 P8 Pd8 -","4","1","","Boubekeur, Leïla; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","Coordination Chemistry of Inversely Polarized Phosphaalkenes toward Group 10 Metal Centers","Organometallics","2005","24","16","3856","","10.1021/om0502943","","","0.71069","MoKα","","0.0831","0.065","","","0.1856","0.197","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075925","37.9817","0.0012","14.6308","0.0004","36.1234","0.0012","90","","118.842","0.001","90","","17583.8","1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.25 H68 Cl N2 O3 Yb -","- C43.25 H63.75 Cl N2 O3 Yb -","- C692 H1020 Cl16 N32 O48 Yb16 -","16","2","","Yao, Yingming; Ma, Mengtao; Xu, Xiaoping; Zhang, Yong; Shen, Qi; Wong, Wing-Tak","Synthesis, Reactivity, and Characterization of Amine Bis(phenolate) Lanthanide Complexes and Their Application in the Polymerization ofε-Caprolactone","Organometallics","2005","24","16","4014","","10.1021/om050296n","","","0.7107","MoKα","","0.0505","0.0425","","","0.0884","0.0921","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075926","38.036","0.003","14.6408","0.0007","36.156","0.003","90","","118.847","0.001","90","","17636","2","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.25 H68 Cl Er N2 O3 -","- C43.25 H57.75 Cl Er N2 O3 -","- C692 H924 Cl16 Er16 N32 O48 -","16","2","","Yao, Yingming; Ma, Mengtao; Xu, Xiaoping; Zhang, Yong; Shen, Qi; Wong, Wing-Tak","Synthesis, Reactivity, and Characterization of Amine Bis(phenolate) Lanthanide Complexes and Their Application in the Polymerization ofε-Caprolactone","Organometallics","2005","24","16","4014","","10.1021/om050296n","","","0.7107","MoKα","","0.0503","0.0421","","","0.0941","0.0985","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075927","48.357","0.005","11.9624","0.0009","36.189","0.004","90","","130.326","0.001","90","","15960","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H65 N2 O3 Yb -","- C39 H65 N2 O3 Yb -","- C624 H1040 N32 O48 Yb16 -","16","2","","Yao, Yingming; Ma, Mengtao; Xu, Xiaoping; Zhang, Yong; Shen, Qi; Wong, Wing-Tak","Synthesis, Reactivity, and Characterization of Amine Bis(phenolate) Lanthanide Complexes and Their Application in the Polymerization ofε-Caprolactone","Organometallics","2005","24","16","4014","","10.1021/om050296n","","","0.7107","MoKα","","0.0443","0.0375","","","0.0808","0.0837","","","","","","1.162","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075928","10.736","0.0006","22.4429","0.0013","19.8725","0.0012","90","","100.018","0.002","90","","4715.2","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 N3 O3 Yb -","- C50 H72 N3 O3 Yb -","- C200 H288 N12 O12 Yb4 -","4","1","","Yao, Yingming; Ma, Mengtao; Xu, Xiaoping; Zhang, Yong; Shen, Qi; Wong, Wing-Tak","Synthesis, Reactivity, and Characterization of Amine Bis(phenolate) Lanthanide Complexes and Their Application in the Polymerization ofε-Caprolactone","Organometallics","2005","24","16","4014","","10.1021/om050296n","","","0.7107","MoKα","","0.0512","0.0411","","","0.0842","0.089","","","","","","1.159","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075929","10.7883","0.0012","22.409","0.002","19.903","0.002","90","","100.151","0.003","90","","4736.3","0.8","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Er N3 O3 -","- C50 H72 Er N3 O3 -","- C200 H288 Er4 N12 O12 -","4","1","","Yao, Yingming; Ma, Mengtao; Xu, Xiaoping; Zhang, Yong; Shen, Qi; Wong, Wing-Tak","Synthesis, Reactivity, and Characterization of Amine Bis(phenolate) Lanthanide Complexes and Their Application in the Polymerization ofε-Caprolactone","Organometallics","2005","24","16","4014","","10.1021/om050296n","","","0.7107","MoKα","","0.0489","0.0386","","","0.0798","0.0851","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075930","13.5022","0.0005","17.8881","0.0007","18.0399","0.0007","90","","94.795","0.001","90","","4341.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H76 Ir N2 P -","- C47 H76 Ir N2 P -","- C188 H304 Ir4 N8 P4 -","4","1","","Bernskoetter, Wesley H.; Lobkovsky, Emil; Chirik, Paul J.","C−H Bond Activation Reactions with Ligand Adducts of a β-Diiminate Iridium Dihydride","Organometallics","2005","24","18","4367","","10.1021/om050301n","","","0.71073","MoKα","","0.0741","0.0384","","","0.0716","0.0807","","","","","","1.023","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075931","12.0335","0.0013","18.933","0.002","32.952","0.004","90","","90.934","0.002","90","","7506.5","1.5","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Ir N2 P -","- C38 H62 Ir N2 P -","- C304 H496 Ir8 N16 P8 -","8","2","","Bernskoetter, Wesley H.; Lobkovsky, Emil; Chirik, Paul J.","C−H Bond Activation Reactions with Ligand Adducts of a β-Diiminate Iridium Dihydride","Organometallics","2005","24","18","4367","","10.1021/om050301n","","","0.71073","MoKα","","0.1075","0.0686","","","0.1397","0.1515","","","","","","1.112","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075932","12.3362","0.0005","14.3118","0.0006","19.2817","0.0008","90","","98.826","0.002","90","","3363.9","0.2","100","","100","","","","","","","","methylenechloride / pentane","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 Cl2 O P Ru -","- C36 H51 Cl2 O P Ru -","- C144 H204 Cl8 O4 P4 Ru4 -","4","1","","Fürstner, Alois; Davies, Paul W.; Lehmann, Christian W.","Bidentate Ruthenium Vinylcarbene Catalysts Derived from Enyne Metathesis","Organometallics","2005","24","16","4065","","10.1021/om050310w","","","0.71073","MoKα","","0.1077","0.0542","","","0.0961","0.1167","","","","","","1.083","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075933","20.718","0.0006","11.514","0.005","14.3789","0.0007","90","","99.93","","90","","3378.7","1.5","100","","100","","","","","","","","dichloromethane/pentane","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cl2 N2 O Ru -","- C39 H44 Cl2 N2 O Ru -","- C156 H176 Cl8 N8 O4 Ru4 -","4","1","","Fürstner, Alois; Davies, Paul W.; Lehmann, Christian W.","Bidentate Ruthenium Vinylcarbene Catalysts Derived from Enyne Metathesis","Organometallics","2005","24","16","4065","","10.1021/om050310w","","","0.71073","MoKα","","0.2103","0.1029","","","0.2203","0.2835","","","","","","1.019","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075934","9.9547","0.0001","11.3765","0.0001","20.5889","0.0003","104.086","0.001","102.135","0.001","91.314","0.001","2204.28","0.05","100","","100","","","","","","","","diethylether","6","P -1","-P 1","2","","","","- C43 H61.5 Cl2 O5.25 P Ru -","- C43 H61.5 Cl2 O5.25 P Ru -","- C86 H123 Cl4 O10.5 P2 Ru2 -","2","1","","Fürstner, Alois; Davies, Paul W.; Lehmann, Christian W.","Bidentate Ruthenium Vinylcarbene Catalysts Derived from Enyne Metathesis","Organometallics","2005","24","16","4065","","10.1021/om050310w","","","0.71073","MoKα","","0.041","0.0334","","","0.0895","0.0936","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075935","15.66","0.0001","16.2793","0.0001","16.8111","0.0001","90","","114.2","","90","","3909.09","0.04","100","","100","","","","","","","","pentane/dichloromethane","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H55 Cl2 O P Ru -","- C44 H55 Cl2 O P Ru -","- C176 H220 Cl8 O4 P4 Ru4 -","4","1","","Fürstner, Alois; Davies, Paul W.; Lehmann, Christian W.","Bidentate Ruthenium Vinylcarbene Catalysts Derived from Enyne Metathesis","Organometallics","2005","24","16","4065","","10.1021/om050310w","","","0.71073","MoKα","","0.0284","0.026","","","0.0656","0.0672","","","","","","1.023","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075936","14.8754","0.0006","16.9565","0.0007","16.4576","0.0006","90","","92.887","0.001","90","","4145.9","0.3","138","2","138","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis adduct of 1,4 diphenylbutadiyne (3)","","","- C42 H42 Mo4 S8 -","- C42 H42 Mo4 S8 -","- C168 H168 Mo16 S32 -","4","1","","Newell, Rachel; Ohman, Claire; Rakowski DuBois, M.","Reactions of Sulfido-Bridged Molybdenum Dimers with Diynes as a Route to Multinuclear Dithiolene Complexes","Organometallics","2005","24","18","4406","","10.1021/om050317d","","","0.71073","MoKα","","0.078","0.0484","","","0.1147","0.1306","","","","","","0.997","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075937","17.5179","0.0013","11.9804","0.0009","25.3939","0.0019","90","","90","","90","","5329.5","0.7","293","2","258","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","mono adduct of 1,4 diphenylbutadiyne (5)","","","- C29 H26 Mo2 S4 -","- C29 H26 Mo2 S4 -","- C232 H208 Mo16 S32 -","8","1","","Newell, Rachel; Ohman, Claire; Rakowski DuBois, M.","Reactions of Sulfido-Bridged Molybdenum Dimers with Diynes as a Route to Multinuclear Dithiolene Complexes","Organometallics","2005","24","18","4406","","10.1021/om050317d","","","0.71073","MoKα","","0.1884","0.0802","","","0.1511","0.192","","","","","","0.951","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075938","10.4965","0.0005","15.1664","0.0006","18.0759","0.0008","76.501","0.001","78.356","0.001","80.059","0.001","2716.6","0.2","155","2","155","2","","","","","","","","6","P -1","-P 1","2","(3+)","","","- C46.71 H45.41 F6 Mo4 O6.9 S10 -","- C46.706 H45.412 F6 Mo4 O6.902 S10 -","- C93.412 H90.824 F12 Mo8 O13.804 S20 -","2","1","","Newell, Rachel; Ohman, Claire; Rakowski DuBois, M.","Reactions of Sulfido-Bridged Molybdenum Dimers with Diynes as a Route to Multinuclear Dithiolene Complexes","Organometallics","2005","24","18","4406","","10.1021/om050317d","","","0.71073","MoKα","","0.1603","0.0736","","","0.1565","0.1934","","","","","","0.95","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075939","17.354","0.002","18.293","0.003","11.311","0.002","90","","106.663","0.007","90","","3440","0.9","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C37 H53 N Ru3 -","- C37 H38 N Ru3 -","- C148 H152 N4 Ru12 -","4","0.5","","Takao, Toshiro; Kawashima, Takashi; Matsubara, Kouki; Suzuki, Hiroharu","Synthesis and Structure of a Triruthenium Complex Containing a Perpendicularly Coordinatedμ3-η2:η2(⊥)-Nitrile Ligand and Its Protonation To Yield a Perpendicularly Coordinated Iminoacyl Ligand","Organometallics","2005","24","14","3371","","10.1021/om050320x","","","0.71069","MoKα","","0.0405","0.0381","","","0.0992","0.1006","","","","","","1.053","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075940","18.2198","0.0001","17.9121","0.0001","21.1707","0.0001","90","","90","","90","","6909.16","0.06","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C35 H57 N Ru3 -","- C35 H7 N2 Ru3 -","- C280 H56 N16 Ru24 -","8","","","Takao, Toshiro; Kawashima, Takashi; Matsubara, Kouki; Suzuki, Hiroharu","Synthesis and Structure of a Triruthenium Complex Containing a Perpendicularly Coordinatedμ3-η2:η2(⊥)-Nitrile Ligand and Its Protonation To Yield a Perpendicularly Coordinated Iminoacyl Ligand","Organometallics","2005","24","14","3371","","10.1021/om050320x","","","0.71069","MoKα","","0.0596","0.057","","","0.1262","0.1273","","","","","","1.223","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075941","10.8217","0.001","19.8704","0.0016","20.0472","0.0018","116.505","0.004","102.326","0.004","89.202","0.004","3752.4","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H54 B F4 N Ru3 -","- C37 H54 B F4 N Ru3 -","- C148 H216 B4 F16 N4 Ru12 -","4","2","","Takao, Toshiro; Kawashima, Takashi; Matsubara, Kouki; Suzuki, Hiroharu","Synthesis and Structure of a Triruthenium Complex Containing a Perpendicularly Coordinatedμ3-η2:η2(⊥)-Nitrile Ligand and Its Protonation To Yield a Perpendicularly Coordinated Iminoacyl Ligand","Organometallics","2005","24","14","3371","","10.1021/om050320x","","","0.71069","MoKα","","0.072","0.0452","","","0.0923","0.1024","","","","","","1.027","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075942","8.577","0.002","8.599","0.0019","17.598","0.004","97.626","0.006","98.156","0.006","115.882","0.007","1128","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,1,2,2-tetramethyl-1,2-bis[(2,6-dimethylbenzoyl)oxy]disilane","","- C22 H30 O4 Si2 -","- C22 H30 O4 Si2 -","- C44 H60 O8 Si4 -","2","1","","Kano, Naokazu; Nakagawa, Norikiyo; Shinozaki, Yasuhiro; Kawashima, Takayuki; Sato, Yuki; Naruse, Yuji; Inagaki, Satoshi","Disilanes Containing Two High-Coordinate Silicon Atoms Bridged by Carboxylate Ligands: Synthesis, Structure, and Dynamic Behavior","Organometallics","2005","24","12","2823","","10.1021/om050321p","","","0.7107","MoKα","","0.048","0.0395","","","0.0948","0.1013","","","","","","1.098","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075943","13.236","0.005","10.745","0.005","14.515","0.005","90","","104.961","0.005","90","","1994.4","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-dimethyl-1,1,2,2-tetrakis[(2,6-dimethylbenzoyl)oxy]disilane","","- C44 H48 O8 Si2 -","- C44 H48 O8 Si2 -","- C88 H96 O16 Si4 -","2","0.5","","Kano, Naokazu; Nakagawa, Norikiyo; Shinozaki, Yasuhiro; Kawashima, Takayuki; Sato, Yuki; Naruse, Yuji; Inagaki, Satoshi","Disilanes Containing Two High-Coordinate Silicon Atoms Bridged by Carboxylate Ligands: Synthesis, Structure, and Dynamic Behavior","Organometallics","2005","24","12","2823","","10.1021/om050321p","","","0.71069","MoKα","","0.0599","0.0438","","","0.0743","0.0805","","","","","","0.899","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075944","18.3537","0.0006","23.3319","0.0008","23.5876","0.0012","90","","90","","90","","10100.8","0.7","133","2","133","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C54 H68 Ag B F4 N4 -","- C54 H68 Ag B F4 N4 -","- C432 H544 Ag8 B8 F32 N32 -","8","1","","Weigl, Kerstin; Köhler, Katrin; Dechert, Sebastian; Meyer, Franc","Synthesis and Structure of N-Heterocyclic Carbene Complexes with Tethered Olefinic Groups: Application of the Ruthenium Catalyst in Olefin Metathesis","Organometallics","2005","24","16","4049","","10.1021/om0503242","","","0.71073","MoKα","","0.0743","0.0476","","","0.1347","0.1468","","","","","","1.004","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075945","8.4002","0.0011","16.1489","0.0013","19.953","0.002","90","","100.859","0.009","90","","2658.2","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 Ag Cl N2 -","- C27 H34 Ag Cl N2 -","- C108 H136 Ag4 Cl4 N8 -","4","0.5","","Weigl, Kerstin; Köhler, Katrin; Dechert, Sebastian; Meyer, Franc","Synthesis and Structure of N-Heterocyclic Carbene Complexes with Tethered Olefinic Groups: Application of the Ruthenium Catalyst in Olefin Metathesis","Organometallics","2005","24","16","4049","","10.1021/om0503242","","","0.71073","MoKα","","0.0606","0.0497","","","0.1348","0.1419","","","","","","1.034","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075946","9.1068","0.0007","11.639","0.0009","15.9346","0.0012","89.87","0.006","79.381","0.006","74.296","0.006","1596.1","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H42 Cl2 N2 O Ru -","- C35 H42 Cl2 N2 O Ru -","- C70 H84 Cl4 N4 O2 Ru2 -","2","1","","Weigl, Kerstin; Köhler, Katrin; Dechert, Sebastian; Meyer, Franc","Synthesis and Structure of N-Heterocyclic Carbene Complexes with Tethered Olefinic Groups: Application of the Ruthenium Catalyst in Olefin Metathesis","Organometallics","2005","24","16","4049","","10.1021/om0503242","","","0.71073","MoKα","","0.0526","0.0412","","","0.1055","0.1103","","","","","","1.034","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075947","22.344","0.002","12.843","0.0014","22.869","0.002","90","","111.36","0.006","90","","6111.8","1","120","","120","","","","","","","","","6","C 1 c 1","C -2yc","9","(2,2,3,3-tetramethyl-1,1,4,4-tetraphenyl- 2,3-disilatetragerman-1,4-diyl)bis (triphenylphosphine)platinum","(2,2,3,3-tetramethyl-1,1,4,4-tetraphenyl- 2,3-disilatetragerman-1,4-diyl)bis (triphenylphosphine)platinum","","- C70 H67 Ge2 P2 Pt Si2 -","- C70 H68 Ge2 P2 Pt Si2 -","- C280 H272 Ge8 P8 Pt4 Si8 -","4","1","","Usui, Yoko; Hosotani, Sayaka; Ogawa, Aki; Nanjo, Masato; Mochida, Kunio","Successive Formation of Hydrido(germyl)platinum, Germaplatinacycle, and Germylene-Bridged Dinuclear Platinum Complexes from the Reaction of a Zerovalent Platinum Complex with α,ω-Dihydrodigermanes","Organometallics","2005","24","18","4337","","10.1021/om0503287","","","0.71073","MoKα","","0.0419","0.0393","","","0.1124","0.1148","","","","","","1.051","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075948","7.732","0.001","18.38","0.001","33.917","0.001","90","","90","","90","","4820.1","0.7","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H26 Cl P Zr -","- C28 H26 Cl P Zr -","- C224 H208 Cl8 P8 Zr8 -","8","1","","Spies, Patrick; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Grimme, Stefan; Mück-Lichtenfeld, Christian","Reaction of Rosenthal's Zirconacyclocumulenes with Chlorophosphines","Organometallics","2005","24","20","4742","","10.1021/om050336n","","","0.71073","MoKα","","0.056","0.0349","","","0.0761","0.083","","","","","","1.016","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075949","9.259","0.001","20.346","0.001","14.921","0.001","90","","99.86","0.01","90","","2769.4","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 Cl2 P Zr -","- C32 H25 Cl2 P Zr -","- C128 H100 Cl8 P4 Zr4 -","4","1","","Spies, Patrick; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Grimme, Stefan; Mück-Lichtenfeld, Christian","Reaction of Rosenthal's Zirconacyclocumulenes with Chlorophosphines","Organometallics","2005","24","20","4742","","10.1021/om050336n","","","0.71073","MoKα","","0.1079","0.0604","","","0.0795","0.0887","","","","","","1.045","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075950","17.669","0.019","15.984","0.012","18.49","0.03","90","","115.389","0.012","90","","4718","10","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C48 H88 Ni P2 -","- C48 H88 Ni P2 -","- C192 H352 Ni4 P8 -","4","1","","Jones, Gavin D.; Vicic, David A.","A 1-Norbornene Adduct of a Transition Metal and an Electrochemical Study of the Bridgehead Olefin Complex","Organometallics","2005","24","16","3821","","10.1021/om0503388","","","0.7107","MoKα","","0.1013","0.0777","","","0.1779","0.1929","","","","","","1.109","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075951","19.827","0.009","13.692","0.006","11.835","0.006","90","","97.041","0.01","90","","3189","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 O4 Pt -","- C36 H28 N4 O4 Pt -","- C144 H112 N16 O16 Pt4 -","4","1","","Wong, Wai-Yeung; He, Ze; So, Shu-Kong; Tong, Ka-Lap; Lin, Zhenyang","A Multifunctional Platinum-Based Triplet Emitter for OLED Applications#","Organometallics","2005","24","16","4079","4082","10.1021/om050343b","","","0.71073","MoKα","","0.1308","0.0603","","","0.1329","0.1651","","","","","","0.925","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075952","18.668","0.003","10.3756","0.0009","14.786","0.002","90","","113.3","0.014","90","","2630.4","0.7","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 F2 N P2 -","- C25 H37 F2 N P2 -","- C100 H148 F8 N4 P8 -","4","1","","Weng, Wei; Guo, Chengyun; Moura, Claudia; Yang, Lin; Foxman, Bruce M.; Ozerov, Oleg V.","Competitive Activation of N−C and C−H Bonds of the PNP Framework by Monovalent Rhodium and Iridium","Organometallics","2005","24","14","3487","","10.1021/om050346o","","","1.54178","CuKα","","0.0694","0.0461","","0.0948","0.0584","0.0584","","","","","","1.1019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075953","16.651","0.003","8.2918","0.0012","20.935","0.003","90","","90.269","0.012","90","","2890.4","0.8","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Br2 N P2 -","- C27 H39 Br2 N P2 -","- C108 H156 Br8 N4 P8 -","4","1","","Weng, Wei; Guo, Chengyun; Moura, Claudia; Yang, Lin; Foxman, Bruce M.; Ozerov, Oleg V.","Competitive Activation of N−C and C−H Bonds of the PNP Framework by Monovalent Rhodium and Iridium","Organometallics","2005","24","14","3487","","10.1021/om050346o","","","1.54178","CuKα","","0.09","0.0533","","0.1386","0.0701","0.0701","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075954","12.668","0.009","10.292","0.003","20.922","0.004","90","","100.06","0.03","90","","2686","2","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl N P2 Pd -","- C26 H38 Cl N P2 Pd -","- C104 H152 Cl4 N4 P8 Pd4 -","4","1","","Weng, Wei; Guo, Chengyun; Moura, Claudia; Yang, Lin; Foxman, Bruce M.; Ozerov, Oleg V.","Competitive Activation of N−C and C−H Bonds of the PNP Framework by Monovalent Rhodium and Iridium","Organometallics","2005","24","14","3487","","10.1021/om050346o","","","0.71073","MoKα","","0.1125","0.0447","","0.108","0.0466","0.0466","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075955","10.501","0.004","20.068","0.01","13.422","0.01","90","","94.18","0.04","90","","2821","3","294","","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Cl Ir N P2 -","- C27 H42 Cl Ir N P2 -","- C108 H168 Cl4 Ir4 N4 P8 -","4","1","","Weng, Wei; Guo, Chengyun; Moura, Claudia; Yang, Lin; Foxman, Bruce M.; Ozerov, Oleg V.","Competitive Activation of N−C and C−H Bonds of the PNP Framework by Monovalent Rhodium and Iridium","Organometallics","2005","24","14","3487","","10.1021/om050346o","","","0.71073","MoKα","","0.1052","0.0459","","0.0921","0.0489","0.0489","","","","","","1.1346","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075956","16.4206","0.0009","19.2472","0.0009","22.0247","0.0011","90","","105.54","0.002","90","","6706.5","0.6","93.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H77 Cl7 P Rh -","- C76.42 H75 Cl3.37 P Rh -","- C305.68 H300 Cl13.48 P4 Rh4 -","4","1","","Niyomura, Osamu; Iwasawa, Tetsuo; Sawada, Naoki; Tokunaga, Makoto; Obora, Yasushi; Tsuji, Yasushi","A Bowl-Shaped Phosphine as a Ligand in Rhodium-Catalyzed Hydrosilylation: Rate Enhancement by a Mono(phosphine) Rhodium Species","Organometallics","2005","24","14","3468","","10.1021/om0503491","","","0.7107","MoKα","","","0.067","","","","0.096","","","","","","0.836","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075957","23.587","0.005","16.031","0.003","26.653","0.005","90","","104.843","0.004","90","","9742","3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C47 H50 Cl4 F3 N2 O3 P3 Ru S -","- C47 H49 Cl4 F3 N2 O3 P3 Ru S -","- C376 H392 Cl32 F24 N16 O24 P24 Ru8 S8 -","8","2","","Chen, Xingguo; Xue, Peng; Sung, Herman H. Y.; Williams, Ian D.; Peruzzini, Maurizio; Bianchini, Claudio; Jia, Guochen","Ruthenium-PromotedZ-Selective Head-to-Head Dimerization of Terminal Alkynes in Organic and Aqueous Media","Organometallics","2005","24","18","4330","","10.1021/om050355x","","","0.71073","MoKα","","0.1052","0.0543","","","0.1145","0.1271","","","","","","0.984","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075958","17.443","0.003","20.752","0.004","23.465","0.005","90","","90","","90","","8494","3","180","2","180","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C40 H83 N P2 Ru Si2 -","- C40 H83 N P2 Ru Si2 -","- C320 H664 N8 P16 Ru8 Si16 -","8","1","","Ayed, Tahra; Barthelat, Jean-Claude; Tangour, Bahoueddine; Pradère, Caroline; Donnadieu, Bruno; Grellier, Mary; Sabo-Etienne, Sylviane","Structure and Bonding in a Disilazane Ruthenium Complex. Catalytic Selective Deuteration of Disilazane","Organometallics","2005","24","16","3824","","10.1021/om050361t","","","0.71073","MoKα","","0.0673","0.0387","","","0.0575","0.0632","","","","","","0.863","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075959","23.281","0.005","21.627","0.004","42.693","0.009","90","","91.52","0.03","90","","21488","8","293","2","293","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C187 H138 Ag13 Au6 Cl0 F30 N0 O P6 Sb5 -","- C187 Ag13 Au6 F30 O P6 Sb5 -","- C748 Ag52 Au24 F120 O4 P24 Sb20 -","4","1","","Wei, Qiao-Hua; Zhang, Li-Yi; Yin, Gang-Qiang; Shi, Lin-Xi; Chen, Zhong-Ning","Luminescent Au6Ag13Cage Compounds of Arylacetylides, Metastable Intermediates to Au5Ag8Complexes of {1,2,3-C6(C6H4R-4)3}3-(R = H, CH3, But)","Organometallics","2005","24","16","3818","","10.1021/om050363d","","","0.8","MoKα","","0.1104","0.0892","","","0.2638","0.2785","","","","","","1.181","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075960","25.14","0.004","25.14","0.004","59.228","0.012","90","","90","","120","","32418","10","293","2","293","2","","","","","","","","10","R -3 :H","-R 3","148","","","","- C67 H56.67 Ag4.33 Au2 Cl0 F10 N0 O P2 Sb1.67 -","- C66.9733 Ag4.33333 Au2 F10.04 O P2 Sb1.67333 -","- C1205.52 Ag78 Au36 F180.72 O18 P36 Sb30.12 -","18","1","","Wei, Qiao-Hua; Zhang, Li-Yi; Yin, Gang-Qiang; Shi, Lin-Xi; Chen, Zhong-Ning","Luminescent Au6Ag13Cage Compounds of Arylacetylides, Metastable Intermediates to Au5Ag8Complexes of {1,2,3-C6(C6H4R-4)3}3-(R = H, CH3, But)","Organometallics","2005","24","16","3818","","10.1021/om050363d","","","0.8","MoKα","","0.1232","0.0975","","","0.3007","0.3291","","","","","","1.083","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075961","25.9385","0.0003","24.385","0.0004","33.3375","0.0002","90","","107.771","0.001","90","","20080.2","0.4","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C190 H158 Ag8 Au5 Cl0 F18 N0 O0 P11 -","- C190 H158 Ag8 Au5 F18 P11 -","- C760 H632 Ag32 Au20 F72 P44 -","4","1","","Wei, Qiao-Hua; Zhang, Li-Yi; Yin, Gang-Qiang; Shi, Lin-Xi; Chen, Zhong-Ning","Luminescent Au6Ag13Cage Compounds of Arylacetylides, Metastable Intermediates to Au5Ag8Complexes of {1,2,3-C6(C6H4R-4)3}3-(R = H, CH3, But)","Organometallics","2005","24","16","3818","","10.1021/om050363d","","","0.71073","MoKα","","0.1875","0.0921","","","0.208","0.2989","","","","","","1.23","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075962","5.8459","0.0001","8.413","0.0002","18.2492","0.0005","90","","90","","90","","897.52","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(C6H5)HgCCCF3","","- C9 H5 F3 Hg -","- C9 H5 F3 Hg -","- C36 H20 F12 Hg4 -","4","1","","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.","Asymmetric Fluoro-alkynyl Mercurials: The Synthesis and Solid State Structures of RHgC⋮CCF3(R = Ph, Fc)","Organometallics","2005","24","22","5487","","10.1021/om050366q","","x-ray","0.71073","MoKα","","0.0492","0.0443","","","0.1059","0.1096","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075963","16.0728","0.0006","9.7449","0.0003","8.1183","0.0003","90","","100.862","0.001","90","","1248.77","0.08","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","[(C5H5)Fe(C5H4HgCCCF3)]","","- C13 H9 F3 Fe Hg -","- C13 H9 F3 Fe Hg -","- C52 H36 F12 Fe4 Hg4 -","4","1","","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.","Asymmetric Fluoro-alkynyl Mercurials: The Synthesis and Solid State Structures of RHgC⋮CCF3(R = Ph, Fc)","Organometallics","2005","24","22","5487","","10.1021/om050366q","","x-ray","0.71073","MoKα","","0.0422","0.0366","","","0.0886","0.0924","","","","","","1.054","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075964","16.063","0.004","19.355","0.005","35.056","0.009","90","","91.478","0.008","90","","10895","5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C119.5 H167 Mo N4 -","- C119.5 H167 Mo N4 -","- C478 H668 Mo4 N16 -","4","1","","Byrnes, Matthew J.; Dai, Xuliang; Schrock, Richard R.; Hock, Adam S.; Müller, Peter","Some Organometallic Chemistry of Molybdenum Complexes that Contain the [HIPTN3N]3-Triamidoamine Ligand, {[3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2]3N}3-","Organometallics","2005","24","18","4437","","10.1021/om050373e","","","0.71073","MoKα","","0.1217","0.0668","","","0.1584","0.1858","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075965","16.1387","0.0007","19.6879","0.001","34.1544","0.0017","90","","93.147","0.002","90","","10835.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C119.5 H171.5 Mo N4 -","- C119.5 H171.5 Mo N4 -","- C478 H686 Mo4 N16 -","4","1","","Byrnes, Matthew J.; Dai, Xuliang; Schrock, Richard R.; Hock, Adam S.; Müller, Peter","Some Organometallic Chemistry of Molybdenum Complexes that Contain the [HIPTN3N]3-Triamidoamine Ligand, {[3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2]3N}3-","Organometallics","2005","24","18","4437","","10.1021/om050373e","","","0.71073","MoKα","","0.0778","0.0473","","","0.1061","0.1191","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075966","43.616","0.003","43.616","0.003","24.703","0.003","90","","90","","120","","40698","6","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C122.75 H173.5 Mo N4 -","- C122.75 H173.5 Mo N4 -","- C1473 H2082 Mo12 N48 -","12","1","","Byrnes, Matthew J.; Dai, Xuliang; Schrock, Richard R.; Hock, Adam S.; Müller, Peter","Some Organometallic Chemistry of Molybdenum Complexes that Contain the [HIPTN3N]3-Triamidoamine Ligand, {[3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2]3N}3-","Organometallics","2005","24","18","4437","","10.1021/om050373e","","","0.71073","MoKα","","0.1382","0.1178","","","0.3227","0.33","","","","","","2.411","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075967","51.612","0.003","19.3084","0.001","32.2092","0.0017","90","","111.507","0.002","90","","29863","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C153 H186.5 B F24 Mo N4 -","- C153 H186.5 B F24 Mo N4 -","- C1224 H1492 B8 F192 Mo8 N32 -","8","1","","Byrnes, Matthew J.; Dai, Xuliang; Schrock, Richard R.; Hock, Adam S.; Müller, Peter","Some Organometallic Chemistry of Molybdenum Complexes that Contain the [HIPTN3N]3-Triamidoamine Ligand, {[3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2]3N}3-","Organometallics","2005","24","18","4437","","10.1021/om050373e","","","0.71073","MoKα","","0.1216","0.0849","","","0.2135","0.2594","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075968","9.6788","0.0012","10.4164","0.0014","11.5639","0.0015","100.764","0.003","90.929","0.003","100.978","0.003","1122.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 N O9 Os3 -","- C20 H11 N O9 Os3 -","- C40 H22 N2 O18 Os6 -","2","1","","Mottalib, Md. Abdul; Begum, Noorjahan; Abedin, S. M. Tareque; Akter, Tahmina; Kabir, Shariff E.; Miah, Md. Arzu; Rokhsana, Dalia; Rosenberg, Edward; Hossain, G. M. Golzar; Hardcastle, Kenneth I.","Reactions of Electron-Deficient Triosmium Clusters with Diazomethane: Electrochemical Properties and Computational Studies of Charge Distribution","Organometallics","2005","24","20","4747","","10.1021/om0503794","","","0.71073","MoKα","","0.027","0.0243","","","0.0578","0.0589","","","","","","1.035","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075969","9.487","0.002","10.269","0.003","11.79","0.003","98.686","0.007","90.684","0.009","99.636","0.007","1118.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H10 N2 O9 Os3 -","- C19 H10 N2 O9 Os3 -","- C38 H20 N4 O18 Os6 -","2","1","","Mottalib, Md. Abdul; Begum, Noorjahan; Abedin, S. M. Tareque; Akter, Tahmina; Kabir, Shariff E.; Miah, Md. Arzu; Rokhsana, Dalia; Rosenberg, Edward; Hossain, G. M. Golzar; Hardcastle, Kenneth I.","Reactions of Electron-Deficient Triosmium Clusters with Diazomethane: Electrochemical Properties and Computational Studies of Charge Distribution","Organometallics","2005","24","20","4747","","10.1021/om0503794","","","0.71073","MoKα","","0.0292","0.0265","","","0.0674","0.0688","","","","","","1.024","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075970","11.2089","0.0004","12.7527","0.0005","15.4816","0.0007","85.582","0.002","89.192","0.002","84.136","0.002","2194.83","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H7 N2 O9 Os3 -","- C18 H7 N2 O9 Os3 -","- C72 H28 N8 O36 Os12 -","4","2","","Mottalib, Md. Abdul; Begum, Noorjahan; Abedin, S. M. Tareque; Akter, Tahmina; Kabir, Shariff E.; Miah, Md. Arzu; Rokhsana, Dalia; Rosenberg, Edward; Hossain, G. M. Golzar; Hardcastle, Kenneth I.","Reactions of Electron-Deficient Triosmium Clusters with Diazomethane: Electrochemical Properties and Computational Studies of Charge Distribution","Organometallics","2005","24","20","4747","","10.1021/om0503794","","","0.71073","MoKα","","0.075","0.0566","","","0.1362","0.1479","","","","","","1.014","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075971","15.731","0.004","8.9","0.002","16.263","0.003","90","","100.16","0.02","90","","2241.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H9 N O9 Os3 -","- C20 H9 N O9 Os3 -","- C80 H36 N4 O36 Os12 -","4","1","","Mottalib, Md. Abdul; Begum, Noorjahan; Abedin, S. M. Tareque; Akter, Tahmina; Kabir, Shariff E.; Miah, Md. Arzu; Rokhsana, Dalia; Rosenberg, Edward; Hossain, G. M. Golzar; Hardcastle, Kenneth I.","Reactions of Electron-Deficient Triosmium Clusters with Diazomethane: Electrochemical Properties and Computational Studies of Charge Distribution","Organometallics","2005","24","20","4747","","10.1021/om0503794","","","0.71073","MoKα","","0.0445","0.0331","","","0.0848","0.0866","","","","","","0.961","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075972","12.4821","0.0002","12.4363","0.0002","16.2496","0.0002","90","","104.079","0.001","90","","2446.67","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H7 N O11 Os4 -","- C21 H6 N O11 Os4 -","- C84 H24 N4 O44 Os16 -","4","1","","Mottalib, Md. Abdul; Begum, Noorjahan; Abedin, S. M. Tareque; Akter, Tahmina; Kabir, Shariff E.; Miah, Md. Arzu; Rokhsana, Dalia; Rosenberg, Edward; Hossain, G. M. Golzar; Hardcastle, Kenneth I.","Reactions of Electron-Deficient Triosmium Clusters with Diazomethane: Electrochemical Properties and Computational Studies of Charge Distribution","Organometallics","2005","24","20","4747","","10.1021/om0503794","","","0.71073","MoKα","","0.0449","0.0302","","","0.072","0.0842","","","","","","1.096","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075973","22.1954","0.0006","22.1954","0.0006","6.4285","0.0002","90","","90","","120","","2742.62","0.14","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","trimethylindium - rhombohedral form","","- C3 H9 In -","- C3 H9 In -","- C54 H162 In18 -","18","1","","Lewiński, Janusz; Zachara, Janusz; Starowieyski, Kazimierz B.; Justyniak, Iwona; Lipkowski, Janusz; Bury, Wojciech; Kruk, Przemysław; Woźniak, Robert","A Second Polymorphic Form of Trimethylindium: Topology of Supramolecular Architectures of Group 13 Trimethyls","Organometallics","2005","24","20","4832","","10.1021/om050386s","","","0.71073","MoKα","","0.0245","0.0235","","","0.0564","0.0568","","","","","","1.197","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075974","13.0454","0.0002","13.0454","0.0002","6.2778","0.0001","90","","90","","90","","1068.37","0.03","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","Trimethylindum","","- C3 H9 In -","- C3 H9 In -","- C24 H72 In8 -","8","1","","Lewiński, Janusz; Zachara, Janusz; Starowieyski, Kazimierz B.; Justyniak, Iwona; Lipkowski, Janusz; Bury, Wojciech; Kruk, Przemysław; Woźniak, Robert","A Second Polymorphic Form of Trimethylindium: Topology of Supramolecular Architectures of Group 13 Trimethyls","Organometallics","2005","24","20","4832","","10.1021/om050386s","","","0.71073","MoKα","","0.0316","0.0299","","","0.0718","0.0725","","","","","","1.301","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075975","30.205","0.005","11.0645","0.0019","23.91","0.004","90","","113.694","0.003","90","","7317","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H18 Ag B F20 -","- C42 H18 Ag B F20 -","- C336 H144 Ag8 B8 F160 -","8","1","","Ogawa, Kohei; Kitagawa, Toshikazu; Ishida, Shintaro; Komatsu, Koichi","Synthesis and Structure of a New Tetrakis(pentafluorophenyl)borate Salt of the Silver(I) Cation with Novel Trigonal Planar Tris(benzene) Coordination","Organometallics","2005","24","20","4842","","10.1021/om050388c","","","0.71073","MoKα","","0.0918","0.0714","","","0.1324","0.1429","","","","","","1.031","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075976","8.0192","0.0004","13.0108","0.0007","26.3067","0.0014","90","","98.026","0.001","90","","2717.9","0.2","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 B F3 N9 O4 Re S -","- C21 H25 B F3 N9 O4 Re S -","- C84 H100 B4 F12 N36 O16 Re4 S4 -","4","1","","Myers, William H.; Welch, Kevin D.; Graham, Peter M.; Keller, Andrew; Sabat, Michal; Trindle, Carl O.; Harman, W. Dean","Tungsten(0) and Rhenium(I)η2-Pyrrole Complexes: Dearomatization of Pyrroles and Their Facile Isomerizations, Protonations, and Reductions","Organometallics","2005","24","22","5267","","10.1021/om050393g","","","0.71073","MoKα","","0.0492","0.0376","","","0.0978","0.1015","","","","","","0.985","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075977","10.6754","0.0005","10.7143","0.0005","13.5012","0.0007","76.867","0.001","78.356","0.001","72.281","0.001","1417.8","0.12","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H34 B N10 O Re -","- C26 H34 B N10 O Re -","- C52 H68 B2 N20 O2 Re2 -","2","1","","Myers, William H.; Welch, Kevin D.; Graham, Peter M.; Keller, Andrew; Sabat, Michal; Trindle, Carl O.; Harman, W. Dean","Tungsten(0) and Rhenium(I)η2-Pyrrole Complexes: Dearomatization of Pyrroles and Their Facile Isomerizations, Protonations, and Reductions","Organometallics","2005","24","22","5267","","10.1021/om050393g","","","0.71073","MoKα","","0.0465","0.0418","","","0.1003","0.1021","","","","","","1.017","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075978","12.5925","0.0016","8.6493","0.0011","26.535","0.004","90","","95.873","0.003","90","","2874.9","0.7","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 B F3 N8 O4 P S W -","- C20 H31 B F3 N8 O4 P S W -","- C80 H124 B4 F12 N32 O16 P4 S4 W4 -","4","1","","Myers, William H.; Welch, Kevin D.; Graham, Peter M.; Keller, Andrew; Sabat, Michal; Trindle, Carl O.; Harman, W. Dean","Tungsten(0) and Rhenium(I)η2-Pyrrole Complexes: Dearomatization of Pyrroles and Their Facile Isomerizations, Protonations, and Reductions","Organometallics","2005","24","22","5267","","10.1021/om050393g","","","0.71073","MoKα","","0.1018","0.082","","","0.178","0.1832","","","","","","1.294","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075979","9.046","0.0002","10.0441","0.0002","11.8243","0.0003","84.7182","0.001","89.2236","0.001","87.5315","0.001","1068.74","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Cl2 Ga N Si3 -","- C14 H28 Cl2 Ga N Si3 -","- C28 H56 Cl4 Ga2 N2 Si6 -","2","1","","Schachner, Jörg A.; Lund, Clinton L.; Quail, J. Wilson; Müller, Jens","Synthesis and Characterization of Heavier Group 13 Element Ferrocenophanes: The First Gallium-Bridged [1]Ferrocenophane and an Unusual Indium Species","Organometallics","2005","24","18","4483","","10.1021/om0503951","","","0.71073","MoKα","","0.0587","0.0373","","","0.0793","0.0888","","","","","","1.03","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075980","9.2181","0.0002","24.3893","0.0005","12.5633","0.0003","90","","131.629","0.001","90","","2111.22","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H56 Cl4 In2 N2 Si6 -","- C28 H56 Cl4 In2 N2 Si6 -","- C56 H112 Cl8 In4 N4 Si12 -","2","0.5","","Schachner, Jörg A.; Lund, Clinton L.; Quail, J. Wilson; Müller, Jens","Synthesis and Characterization of Heavier Group 13 Element Ferrocenophanes: The First Gallium-Bridged [1]Ferrocenophane and an Unusual Indium Species","Organometallics","2005","24","18","4483","","10.1021/om0503951","","","0.71073","MoKα","","0.0481","0.0334","","","0.0653","0.0709","","","","","","1.061","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075981","14.1309","0.0009","14.7231","0.0011","16.135","0.002","72.624","0.004","77.96","0.006","87.868","0.004","3132.1","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.5 H84 Cl2 Fe In2 N2 Si6 -","- C55.5 H84 Cl2 Fe In2 N2 Si6 -","- C111 H168 Cl4 Fe2 In4 N4 Si12 -","2","1","","Schachner, Jörg A.; Lund, Clinton L.; Quail, J. Wilson; Müller, Jens","Synthesis and Characterization of Heavier Group 13 Element Ferrocenophanes: The First Gallium-Bridged [1]Ferrocenophane and an Unusual Indium Species","Organometallics","2005","24","18","4483","","10.1021/om0503951","","","0.71073","MoKα","","0.0882","0.0595","","","0.103","0.1114","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075982","7.509","0.003","15.702","0.004","18.335","0.002","90","","91.38","0.02","90","","2161.2","1.1","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 Os Ru -","- C21 H35 Os0.995 Ru0.995 -","- C84 H140 Os3.98 Ru3.98 -","4","1","","Shima, Takanori; Suzuki, Hiroharu","Heterobimetallic Polyhydride Complex, Cp*Ru(μ-H)4OsCp* (Cp* = η5-C5Me5). Synthesis and Reaction with Ethylene","Organometallics","2005","24","16","3939","","10.1021/om0503996","","","0.71069","MoKα","","0.0431","0.028","","","0.0731","0.0781","","","","","","1.054","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075983","8.373","0.0015","14.2672","0.0016","10.5483","0.0017","99.031","0.007","107.843","0.004","84.931","0.005","1183.5","0.3","243","2","243","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H40 Os Ru -","- C26 H30 Os Ru -","- C52 H60 Os2 Ru2 -","2","1","","Shima, Takanori; Suzuki, Hiroharu","Heterobimetallic Polyhydride Complex, Cp*Ru(μ-H)4OsCp* (Cp* = η5-C5Me5). Synthesis and Reaction with Ethylene","Organometallics","2005","24","16","3939","","10.1021/om0503996","","","0.71069","MoKα","","0.0625","0.062","","","0.1577","0.158","","","","","","1.165","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075984","6.8764","0.0006","8.6346","0.0006","10.6228","0.0015","102.12","0.006","104.308","0.005","108.693","0.003","549.44","0.1","243","2","243","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 Os Ru -","- C24 H30 Os Ru -","- C24 H30 Os Ru -","1","0.5","","Shima, Takanori; Suzuki, Hiroharu","Heterobimetallic Polyhydride Complex, Cp*Ru(μ-H)4OsCp* (Cp* = η5-C5Me5). Synthesis and Reaction with Ethylene","Organometallics","2005","24","16","3939","","10.1021/om0503996","","","0.71069","MoKα","","0.0234","0.0226","","","0.0548","0.0552","","","","","","1.163","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075985","10.117","0.005","8.542","0.004","12.384","0.005","90","","108.73","0.03","90","","1013.5","0.8","233","2","233","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C20 H34 Os2 -","- C20 H34 Os2 -","- C40 H68 Os4 -","2","0.5","","Shima, Takanori; Suzuki, Hiroharu","Heterobimetallic Polyhydride Complex, Cp*Ru(μ-H)4OsCp* (Cp* = η5-C5Me5). Synthesis and Reaction with Ethylene","Organometallics","2005","24","16","3939","","10.1021/om0503996","","","0.71069","MoKα","","0.0288","0.0231","","","0.0579","0.0601","","","","","","1.09","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075986","23.224","0.003","10.7711","0.0012","16.0211","0.0017","90","","90","","90","","4007.6","0.8","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H56 N2 P2 Zn -","- C45 H56 N2 P2 Zn -","- C180 H224 N8 P8 Zn4 -","4","1","","Majoumo-Mbe, Félicité; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zwitterionic and Bis-amido Zinc Complexes with Bulky Bis(phosphanylamino)benzene Ligands: Synthesis, Reactivity, and Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-κ2N,N‘)], [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-κ2N,N‘}], and [Zn{1-N(PMes2)-2-N(μ-PMes2)C6H4-κ3N,N‘,P}]2","Organometallics","2005","24","22","5287","","10.1021/om050401t","","","0.71073","MoKα","","0.0863","0.0627","","","0.1507","0.1606","","","","","","1.028","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075987","14.835","0.005","16.757","0.006","18.924","0.007","73.296","0.007","80.234","0.006","76.048","0.007","4347","3","217","2","217","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H112 N4 O2 P4 Zn2 -","- C92 H112 N4 O2 P4 Zn2 -","- C184 H224 N8 O4 P8 Zn4 -","2","1","","Majoumo-Mbe, Félicité; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zwitterionic and Bis-amido Zinc Complexes with Bulky Bis(phosphanylamino)benzene Ligands: Synthesis, Reactivity, and Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-κ2N,N‘)], [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-κ2N,N‘}], and [Zn{1-N(PMes2)-2-N(μ-PMes2)C6H4-κ3N,N‘,P}]2","Organometallics","2005","24","22","5287","","10.1021/om050401t","","","0.71073","MoKα","","0.1923","0.0712","","","0.2137","0.2595","","","","","","0.89","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075988","36.134","0.005","12.9004","0.0019","22.125","0.003","90","","124.682","0.002","90","","8481","2","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 Cl2 N2 O0.5 P2 Zn -","- C44 H54 Cl2 N2 O0.5 P2 Zn -","- C352 H432 Cl16 N16 O4 P16 Zn8 -","8","1","","Majoumo-Mbe, Félicité; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zwitterionic and Bis-amido Zinc Complexes with Bulky Bis(phosphanylamino)benzene Ligands: Synthesis, Reactivity, and Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-κ2N,N‘)], [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-κ2N,N‘}], and [Zn{1-N(PMes2)-2-N(μ-PMes2)C6H4-κ3N,N‘,P}]2","Organometallics","2005","24","22","5287","","10.1021/om050401t","","","0.71073","MoKα","","0.1122","0.0457","","","0.1011","0.1349","","","","","","0.919","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075989","12.0882","0.0019","14.91","0.002","16.002","0.003","93.516","0.003","102.306","0.003","112.238","0.003","2575.9","0.7","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C118 H140 N4 O2 P4 Zn2 -","- C118 H140 N4 O2 P4 Zn2 -","- C118 H140 N4 O2 P4 Zn2 -","1","0.5","","Majoumo-Mbe, Félicité; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zwitterionic and Bis-amido Zinc Complexes with Bulky Bis(phosphanylamino)benzene Ligands: Synthesis, Reactivity, and Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-κ2N,N‘)], [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-κ2N,N‘}], and [Zn{1-N(PMes2)-2-N(μ-PMes2)C6H4-κ3N,N‘,P}]2","Organometallics","2005","24","22","5287","","10.1021/om050401t","","","0.71073","MoKα","","0.1448","0.086","","","0.1504","0.1702","","","","","","1.138","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075990","10.0705","0.0004","10.0705","0.0004","15.5383","0.0008","90","","90","","120","","1364.7","0.1","178","2","178","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C30 H45 Ce -","- C30 H45 Ce -","- C60 H90 Ce2 -","2","0.166667","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0196","0.0163","","","0.0408","0.0422","","","","","","1.166","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075991","10.031","0.0004","10.031","0.0004","15.5223","0.0007","90","","90","","120","","1352.62","0.1","158","2","158","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C30 H45 Pr -","- C30 H45 Pr -","- C60 H90 Pr2 -","2","0.166667","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0235","0.0217","","","0.0619","0.0631","","","","","","1.137","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075992","8.5697","0.0011","20.622","0.003","11.8095","0.0015","90","","102.427","0.002","90","","2038.1","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 La2 Se2 -","- C40 H60 La2 Se2 -","- C80 H120 La4 Se4 -","2","0.5","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0728","0.0701","","","0.1682","0.1695","","","","","","1.259","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075993","10.4164","0.0006","10.8623","0.0006","13.2748","0.0008","80.935","0.001","83.483","0.001","83.948","0.001","1467.77","0.15","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H92 La2 O2 Se2 -","- C62 H92 La2 O2 Se2 -","- C62 H92 La2 O2 Se2 -","1","0.5","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0411","0.0348","","","0.0863","0.091","","","","","","1.063","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075994","10.5137","0.0003","11.2006","0.0004","11.3252","0.0004","80.617","0.001","76.695","0.001","87.129","0.001","1280.38","0.07","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H74 La2 N2 -","- C58 H74 La2 N2 -","- C58 H74 La2 N2 -","1","0.5","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0272","0.026","","","0.064","0.0648","","","","","","1.062","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075995","21.9414","0.0013","14.3377","0.0009","20.4157","0.0012","90","","107.936","0.001","90","","6110.4","0.6","158","2","158","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H90 I3 Sm3 -","- C60 H90 I3 Sm3 -","- C240 H360 I12 Sm12 -","4","0.5","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0356","0.0278","","","0.0702","0.0747","","","","","","1.068","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075996","38.1766","0.0018","10.1681","0.0005","15.7555","0.0008","90","","109.123","0.001","90","","5778.5","0.5","158","2","158","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H45 O2 Sm -","- C62 H90 O4 Sm2 -","- C248 H360 O16 Sm8 -","4","0.5","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0483","0.0398","","","0.0745","0.0789","","","","","","1.247","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075997","8.495","0.007","15.544","0.012","16.264","0.012","73.74","0.01","85.911","0.002","77.53","0.01","2013","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","m-xylylene-dicobaloxime","2-nitro meta-xylylene benzyl pyridine dimethylglyoximato dicobaloxime","","- C36 H51 Co2 N11 O11 -","- C36 H51 Co2 N11 O11 -","- C72 H102 Co4 N22 O22 -","2","1","","Vijaikanth, V.; Gupta, B. D.; Mandal, Debaprasad; Shekhar, Shashank","2-Substitutedm-Xylylene-Bridged Dicobaloximes: Structure−Property Relationship Using Variable-Temperature1H NMR Study†","Organometallics","2005","24","18","4454","","10.1021/om050405y","","","0.71073","MoKα","","0.0894","0.0685","","","0.1584","0.1705","","","","","","1.05","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075998","12.0327","0.0008","12.6956","0.0007","13.5546","0.0009","90","","108.144","0.002","90","","1967.7","0.2","293.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 F3 N3 Na O10 Rh S -","- C10 H20 F3 N3 Na O10 Rh S -","- C40 H80 F12 N12 Na4 O40 Rh4 S4 -","4","1","","Ogo, Seiji; Nishida, Hiromi; Hayashi, Hideki; Murata, Yusuke; Fukuzumi, Shunichi","Aqueous Transformation of a Metal Diformate to a Metal Dihydride Carbonyl Complex Accompanied by H2Evolution from the Formato Ligands","Organometallics","2005","24","20","4816","","10.1021/om0504147","","","0.7107","MoKα","","","0.025","","","","0.0664","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075999","12.2466","0.0011","13.0523","0.0012","12.3583","0.0012","90","","110.815","0.002","90","","1846.5","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cr O2 -","- C10 H10 Cr O2 -","- C80 H80 Cr8 O16 -","8","2","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0736","0.0605","","","0.1227","0.1271","","","","","","1.25","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4076000","10.4586","0.001","11.5544","0.0011","26.008","0.003","90","","90","","90","","3142.9","0.6","193","2","193","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C12 H15 Cr F6 O3 P -","- C12 H15 Cr F6 O3 P -","- C96 H120 Cr8 F48 O24 P8 -","8","0.5","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0576","0.0448","","","0.111","0.1189","","","","","","1.05","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076001","42.1994","0.0018","8.4552","0.0004","37.1949","0.0016","90","","115.834","0.0007","90","","11945","0.9","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C33 H38 Cr N2 O2.5 -","- C33 H38 Cr N2 O2.5 -","- C528 H608 Cr16 N32 O40 -","16","2","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0562","0.0482","","","0.1329","0.1396","","","","","","1.04","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076002","10.736","0.0007","11.0577","0.0007","8.0243","0.0005","90","","90","","90","","952.61","0.1","193","2","193","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C13 H23 Cr F6 O2 P3 -","- C13 H23 Cr F6 O2 P3 -","- C26 H46 Cr2 F12 O4 P6 -","2","0.25","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0347","0.0333","","","0.0854","0.0869","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076003","12.0893","0.001","16.7108","0.0014","19.447","0.0016","90","","90","","90","","3928.7","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37.5 H38 Cr F6 O3.5 P3 -","- C37.5 H38 Cr F6 O3.5 P3 -","- C150 H152 Cr4 F24 O14 P12 -","4","1","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0859","0.0676","","","0.1759","0.1911","","","","","","1.079","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076004","18.404","0.001","16.115","0.001","17.33","0.001","90","","104.59","0.001","90","","4974","0.5","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H50 P4 Ru S2 -","- C61 H50 P4 Ru S2 -","- C244 H200 P16 Ru4 S8 -","4","1","","Cantat, Thibault; Demange, Matthieu; Mézailles, Nicolas; Ricard, Louis; Jean, Yves; Le Floch, Pascal","A Bis(thiophosphinoyl)methylene Ruthenium Carbene Complex: Synthesis, X-ray Crystal Structure, and DFT Calculations of Its Thermally Promoted Reverse α-Hydride Migration Process","Organometallics","2005","24","20","4838","","10.1021/om0504194","","","0.71069","MoKα","","0.0551","0.035","","","0.083","0.0902","","","","","","1.018","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076005","19.696","0.002","29.112","0.005","19.044","0.004","90","","91.635","0.011","90","","10915","3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H54 Cl2 P4 Ru S2 -","- C63 H54 Cl2 P4 Ru S2 -","- C504 H432 Cl16 P32 Ru8 S16 -","8","2","","Cantat, Thibault; Demange, Matthieu; Mézailles, Nicolas; Ricard, Louis; Jean, Yves; Le Floch, Pascal","A Bis(thiophosphinoyl)methylene Ruthenium Carbene Complex: Synthesis, X-ray Crystal Structure, and DFT Calculations of Its Thermally Promoted Reverse α-Hydride Migration Process","Organometallics","2005","24","20","4838","","10.1021/om0504194","","","0.71073","MoKα","","0.0653","0.0499","","","0.1311","0.1487","","","","","","1.146","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076006","15.984","0.0008","16.6589","0.0007","17.1723","0.0006","74.628","0.003","74.146","0.003","77.839","0.002","4193.9","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1,1,2,2-Tetramesityl-6-methoxy-5-methyl-7-phenyl-1,2-disilacyclohepta-3,4-diene","","- C49 H58 O Si2 -","- C49 H58 O Si2 -","- C196 H232 O4 Si8 -","4","2","","Gottschling, Stephen E.; Milnes, Kaarina K.; Jennings, Michael C.; Baines, Kim M.","Addition of a Cyclopropyl Alkyne to Tetramesityldisilene: Evidence for a Biradical Intermediate and Formation of a Stable 1,2-Disilacyclohepta-3,4-diene","Organometallics","2005","24","16","3811","","10.1021/om0504250","","","0.71073","MoKα","","0.1903","0.0781","","","0.2008","0.2526","","","","","","1.027","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076007","11.0932","0.0012","12.4543","0.0013","16.1824","0.0017","86.041","0.002","80.139","0.002","89.981","0.002","2197.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 O5 Re Si -","- C23 H15 O5 Re Si -","- C92 H60 O20 Re4 Si4 -","4","2","","Adams, Richard D.; Smith, Jack L.","Rhenium Carbonyl Complexes Containing Bridging SiPh3and SiPh2Ligands","Organometallics","2005","24","18","4489","","10.1021/om0504304","","","0.71073","MoKα","","0.066","0.0625","","","0.1795","0.1815","","","","","","1.082","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076008","9.7639","0.0004","16.9418","0.0007","17.9854","0.0008","90","","90","","90","","2975.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 O6 Re2 Si -","- C30 H22 O6 Re2 Si -","- C120 H88 O24 Re8 Si4 -","4","1","","Adams, Richard D.; Smith, Jack L.","Rhenium Carbonyl Complexes Containing Bridging SiPh3and SiPh2Ligands","Organometallics","2005","24","18","4489","","10.1021/om0504304","","","0.71073","MoKα","","0.0186","0.0179","","","0.0445","0.0448","","","","","","1.054","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076009","13.6837","0.0006","10.6083","0.0005","24.8274","0.0011","90","","93.638","0.001","90","","3596.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 O8 Re2 Si2 -","- C38 H26 O8 Re2 Si2 -","- C152 H104 O32 Re8 Si8 -","4","1","","Adams, Richard D.; Smith, Jack L.","Rhenium Carbonyl Complexes Containing Bridging SiPh3and SiPh2Ligands","Organometallics","2005","24","18","4489","","10.1021/om0504304","","","0.71073","MoKα","","0.0251","0.0207","","","0.0478","0.0497","","","","","","1.04","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076010","14.0667","0.0011","10.6056","0.0008","12.097","0.001","90","","117.384","0.001","90","","1602.5","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C32 H20 O8 Re2 Si2 -","- C32 H20 O8 Re2 Si2 -","- C64 H40 O16 Re4 Si4 -","2","0.25","","Adams, Richard D.; Smith, Jack L.","Rhenium Carbonyl Complexes Containing Bridging SiPh3and SiPh2Ligands","Organometallics","2005","24","18","4489","","10.1021/om0504304","","","0.71073","MoKα","","0.0136","0.0132","","","0.0328","0.033","","","","","","1.078","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076011","14.5264","0.0008","6.9596","0.0004","27.9864","0.0016","90","","93.454","0.001","90","","2824.2","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N Rh -","- C18 H18 N Rh -","- C144 H144 N8 Rh8 -","8","2","","Kohl, Gerald; Rudolph, Ralph; Pritzkow, Hans; Enders, Markus","Catalytic C−H Activation of Hydrocarbons by Rhodium(I) and Iridium(I) Complexes with Hemilabile Quinolyl-Cp Ligands†","Organometallics","2005","24","20","4774","","10.1021/om050438d","","","0.71073","MoKα","","0.0409","0.0394","","","0.0857","0.0862","","","","","","1.341","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076012","7.31","0.005","11.092","0.006","12.134","0.007","81.36","0.04","78.19","0.05","72.32","0.05","913.4","1","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N Rh -","- C22 H26 N Rh -","- C44 H52 N2 Rh2 -","2","1","","Kohl, Gerald; Rudolph, Ralph; Pritzkow, Hans; Enders, Markus","Catalytic C−H Activation of Hydrocarbons by Rhodium(I) and Iridium(I) Complexes with Hemilabile Quinolyl-Cp Ligands†","Organometallics","2005","24","20","4774","","10.1021/om050438d","","","0.71073","MoKα","","0.0728","0.0453","","","0.1014","0.1096","","","","","","1.063","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076013","14.5137","0.0008","6.9902","0.0004","27.8759","0.0015","90","","93.593","0.001","90","","2822.6","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Ir N -","- C18 H18 Ir N -","- C144 H144 Ir8 N8 -","8","2","","Kohl, Gerald; Rudolph, Ralph; Pritzkow, Hans; Enders, Markus","Catalytic C−H Activation of Hydrocarbons by Rhodium(I) and Iridium(I) Complexes with Hemilabile Quinolyl-Cp Ligands†","Organometallics","2005","24","20","4774","","10.1021/om050438d","","","0.71073","MoKα","","0.0471","0.0408","","","0.0825","0.0846","","","","","","1.156","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076014","7.2888","0.0001","11.0309","0.0002","12.0453","0.0002","81.382","0.001","78.66","0.001","72.152","0.0001","899.69","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 Ir N -","- C22 H26 Ir N -","- C44 H52 Ir2 N2 -","2","1","","Kohl, Gerald; Rudolph, Ralph; Pritzkow, Hans; Enders, Markus","Catalytic C−H Activation of Hydrocarbons by Rhodium(I) and Iridium(I) Complexes with Hemilabile Quinolyl-Cp Ligands†","Organometallics","2005","24","20","4774","","10.1021/om050438d","","","0.71073","MoKα","","0.0379","0.0372","","","0.0989","0.0995","","","","","","1.115","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076015","14.5538","0.0006","14.2109","0.0007","17.5636","0.0008","90","","101.834","0.003","90","","3555.3","0.3","183.2","","183.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 B F4 Ir O P2 -","- C41 H35 B F4 Ir O P2 -","- C164 H140 B4 F16 Ir4 O4 P8 -","4","1","","Li, Xingwei; Chen, Peng; Faller, Jack W.; Crabtree, Robert H.","Cycloiridation ofα,β-Unsaturated Ketones, Esters, and Acetophenone","Organometallics","2005","24","20","4810","","10.1021/om050441x","","","0.7107","MoKα","","0.0973","0.051","","0.071","","0.06","","","1.231","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076016","9.7662","0.0008","13.47","0.001","15.95","0.002","90","","101.026","0.003","90","","2059.5","0.3","293.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 B F4 O3 Ru2 -","- C19 H25 B F4 O3 Ru2 -","- C76 H100 B4 F16 O12 Ru8 -","4","1","","Takai, Yasutomo; Kitaura, Ryo; Nakatani, Emi; Onishi, Takafumi; Kurosawa, Hideo","Conversion of Allylic Alcohols to Carbonyl Compounds Catalyzed by Alkoxy-Bridged Dinuclear Areneruthenium Complexes","Organometallics","2005","24","20","4729","","10.1021/om050442p","","","0.7107","MoKα","","","0.0794","","","","0.0869","","","","","","3.853","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076017","11.563","0.006","14.122","0.007","14.828","0.008","62.189","0.008","75.631","0.009","66.245","0.008","1954.7","1.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H82 Ag2 F12 N8 O7 P2 S2 -","- C64 H82 Ag2 F12 N8 O7 P2 S2 -","- C64 H82 Ag2 F12 N8 O7 P2 S2 -","1","0.5","","Wan, Xiang-Jian; Xu, Feng-Bo; Li, Qing-Shan; Song, Hai-Bin; Zhang, Zheng-Zhi","Synthesis and Crystal Structures of Binuclear Metallocyclophane with N-Heterocyclic Carbene Linkage by the π−π Stacking Interaction","Organometallics","2005","24","24","6066","","10.1021/om050443h","","","0.71073","MoKα","","0.0869","0.0558","","","0.1555","0.1836","","","","","","1.098","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076018","21.634","0.003","34.632","0.005","14.445","0.0019","90","","126.142","0.002","90","","8740","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H20.25 F6 Hg0.5 N3.75 O P -","- C17.5 H20.25 F6 Hg0.5 N3.75 O P -","- C280 H324 F96 Hg8 N60 O16 P16 -","16","2","","Wan, Xiang-Jian; Xu, Feng-Bo; Li, Qing-Shan; Song, Hai-Bin; Zhang, Zheng-Zhi","Synthesis and Crystal Structures of Binuclear Metallocyclophane with N-Heterocyclic Carbene Linkage by the π−π Stacking Interaction","Organometallics","2005","24","24","6066","","10.1021/om050443h","","","0.71073","MoKα","","0.0789","0.0408","","","0.1073","0.1398","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076019","9.8903","0.0008","15.1185","0.0013","22.7279","0.0018","90","","90","","90","","3398.4","0.5","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H51 B10 Cl N Na O4 Zr -","- C21 H51 B10 Cl N Na O4 Zr -","- C84 H204 B40 Cl4 N4 Na4 O16 Zr4 -","4","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Bi, Siwei; Lin, Zhenyang; Xie, Zuowei","Functional Sidearm Promoted Electron-Transfer Reactions: A New Route to Metallacarboranes Incorporating theη7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4333","","10.1021/om050454a","","","0.71073","MoKα","","0.1206","0.0602","","","0.1418","0.1828","","","","","","1.014","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076020","9.939","0.002","22.339","0.005","15.553","0.003","90","","90","0.03","90","","3453.2","1.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H54 B10 Cl N2 Na O3 Zr -","- C22 H54 B10 Cl N2 Na O3 Zr -","- C88 H216 B40 Cl4 N8 Na4 O12 Zr4 -","4","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Bi, Siwei; Lin, Zhenyang; Xie, Zuowei","Functional Sidearm Promoted Electron-Transfer Reactions: A New Route to Metallacarboranes Incorporating theη7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4333","","10.1021/om050454a","","","0.71073","MoKα","","0.0912","0.0817","","","0.2234","0.2367","","","","","","1.09","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076021","29.9488","0.0013","29.9488","0.0013","13.7241","0.0009","90","","90","","90","","12309.6","1.1","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C56 H148 B40 N4 Na O8 Sm5 -","- C56 H148 B40 N4 Na O8 Sm5 -","- C224 H592 B160 N16 Na4 O32 Sm20 -","4","0.25","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Bi, Siwei; Lin, Zhenyang; Xie, Zuowei","Functional Sidearm Promoted Electron-Transfer Reactions: A New Route to Metallacarboranes Incorporating theη7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4333","","10.1021/om050454a","","","0.71073","MoKα","","0.1759","0.1087","","","0.2636","0.3387","","","","","","1.095","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076022","14.64","0.04","19.22","0.05","8.59","0.03","98.8","0.2","90","0.3","89.8","0.2","2389","12","200.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H38 P2 Ru S -","- C22 H38 P2 Ru S -","- C88 H152 P8 Ru4 S4 -","4","2","","Hirano, Masafumi; Sakaguchi, Yuko; Yajima, Toshiaki; Kurata, Naoki; Komine, Nobuyuki; Komiya, Sanshiro","Stoichiometric and Catalytic sp3C-H/D2Exchange Reactions ofortho-Substituted Benzenethiol and Phenols by a Ruthenium(II) Complex. Effect of a Chalcogen Anchor on the Bond Cleavage Reaction","Organometallics","2005","24","20","4799","","10.1021/om0504598","","","0.7107","MoKα","","","0.0747","","","","0.1127","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076023","9.566","0.004","16.24","0.02","17.769","0.004","90.01","0.05","105.29","0.02","89.97","0.06","2663","4","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 P4 Ru S -","- C20 H44 P4 Ru S -","- C80 H176 P16 Ru4 S4 -","4","2","","Hirano, Masafumi; Sakaguchi, Yuko; Yajima, Toshiaki; Kurata, Naoki; Komine, Nobuyuki; Komiya, Sanshiro","Stoichiometric and Catalytic sp3C-H/D2Exchange Reactions ofortho-Substituted Benzenethiol and Phenols by a Ruthenium(II) Complex. Effect of a Chalcogen Anchor on the Bond Cleavage Reaction","Organometallics","2005","24","20","4799","","10.1021/om0504598","","","0.7107","MoKα","","0.0466","0.0466","","","0.0503","0.0503","","","","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076024","9.4836","0.0009","17.9286","0.0017","20.9933","0.0019","90","","90","","90","","3569.4","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Ge S2 -","- C45 H38 Ge S2 -","- C180 H152 Ge4 S8 -","4","1","","Ech-Cherif El Kettani, Sakina; Lazraq, Mohamed; Ranaivonjatovo, Henri; Escudié, Jean; Couret, Claude; Gornitzka, Heinz; Atmani, Aziz","Reactivity of Germene Mes2GeCR2with Cumulative Unsaturation-Containing Compounds: Synthesis of New Germanium Heterocycles","Organometallics","2005","24","22","5364","","10.1021/om0504607","","","0.71073","MoKα","","0.065","0.044","","","0.0753","0.0812","","","","","","1.023","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076025","9.059","0.005","11.76","0.006","19.624","0.009","95.898","0.017","97.581","0.013","91.707","0.012","2059.4","1.8","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H55 Ge2 N O -","- C50 H55 Ge2 N O -","- C100 H110 Ge4 N2 O2 -","2","1","","Ech-Cherif El Kettani, Sakina; Lazraq, Mohamed; Ranaivonjatovo, Henri; Escudié, Jean; Couret, Claude; Gornitzka, Heinz; Atmani, Aziz","Reactivity of Germene Mes2GeCR2with Cumulative Unsaturation-Containing Compounds: Synthesis of New Germanium Heterocycles","Organometallics","2005","24","22","5364","","10.1021/om0504607","","","0.71073","MoKα","","0.124","0.0783","","","0.2182","0.2884","","","","","","1.07","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076026","12.364","0.002","13.339","0.002","7.8955","0.0014","90","","90","","90","","1302.2","0.4","213","2","213","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H22 F I N2 Pt -","- C8 H22 F I0.886 N2 Pt -","- C32 H88 F4 I3.544 N8 Pt4 -","4","0.5","","Hughes, Russell P.; Laritchev, Roman B.; Zakharov, Lev N.; Rheingold, Arnold L.","Unexpected Formation of an Organoplatinum(IV) Fluoride Complex in the Reaction of Pt(TMEDA)(CH3)2with Perfluoro-sec-butyl Iodide","Organometallics","2005","24","20","4845","","10.1021/om0504654","","","0.71073","MoKα","","0.0306","0.0276","","","0.0688","0.0699","","","","","","1.173","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076027","7.3919","0.0008","11.0879","0.0011","18.6596","0.0018","97.989","0.005","91.177","0.005","99.269","0.005","1493.3","0.3","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 Fe4 O3 -","- C39 H30 Fe4 O3 -","- C78 H60 Fe8 O6 -","2","1","","Mathur, Pradeep; Singh, Amrendra K.; Singh, Vinay K.; Singh, Priti; Rahul,; Mobin, Shaikh M.; Thöne, Carsten","Coupling Reactions of Ferrocenylacetylene with Mononuclear Metal Carbonyls Fe(CO)5and M(CO)6(M = Mo, W): Synthesis and Characterization of [Fe(CO)2{η5-2,5-Fc2C5H2CO}C(Fc)CH], [Fe(CO)2{η2:η2-2,5-Fc2C4H2Fe(CO)3}-μ-CO], [Fe(CO)3{η2:η2-2,5-Fc2C4H2CO}], 1,2,4-Triferrocenylbenzene, 2,5-Diferrocenylthiophene, and 2,5-Diferrocenylselenophene","Organometallics","2005","24","20","4793","","10.1021/om0504755","","","0.71073","MoKα","","0.0376","0.029","","","0.0753","0.0775","","","","","","1.104","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076028","7.84","0.0012","11.995","0.0008","14.489","0.0008","94.442","0.005","93.843","0.008","105.805","0.008","1301.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 Fe4 O6 -","- C30 H20 Fe4 O6 -","- C60 H40 Fe8 O12 -","2","1","","Mathur, Pradeep; Singh, Amrendra K.; Singh, Vinay K.; Singh, Priti; Rahul,; Mobin, Shaikh M.; Thöne, Carsten","Coupling Reactions of Ferrocenylacetylene with Mononuclear Metal Carbonyls Fe(CO)5and M(CO)6(M = Mo, W): Synthesis and Characterization of [Fe(CO)2{η5-2,5-Fc2C5H2CO}C(Fc)CH], [Fe(CO)2{η2:η2-2,5-Fc2C4H2Fe(CO)3}-μ-CO], [Fe(CO)3{η2:η2-2,5-Fc2C4H2CO}], 1,2,4-Triferrocenylbenzene, 2,5-Diferrocenylthiophene, and 2,5-Diferrocenylselenophene","Organometallics","2005","24","20","4793","","10.1021/om0504755","","","0.71073","MoKα","","0.078","0.039","","","0.0894","0.1031","","","","","","1.02","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076029","35.321","0.003","6.426","0.0007","24.858","0.0018","90","","121.848","0.006","90","","4792.7","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Fe3 O4 -","- C28 H20 Fe3 O4 -","- C224 H160 Fe24 O32 -","8","1","","Mathur, Pradeep; Singh, Amrendra K.; Singh, Vinay K.; Singh, Priti; Rahul,; Mobin, Shaikh M.; Thöne, Carsten","Coupling Reactions of Ferrocenylacetylene with Mononuclear Metal Carbonyls Fe(CO)5and M(CO)6(M = Mo, W): Synthesis and Characterization of [Fe(CO)2{η5-2,5-Fc2C5H2CO}C(Fc)CH], [Fe(CO)2{η2:η2-2,5-Fc2C4H2Fe(CO)3}-μ-CO], [Fe(CO)3{η2:η2-2,5-Fc2C4H2CO}], 1,2,4-Triferrocenylbenzene, 2,5-Diferrocenylthiophene, and 2,5-Diferrocenylselenophene","Organometallics","2005","24","20","4793","","10.1021/om0504755","","","0.71073","MoKα","","0.1855","0.0535","","","0.0989","0.1262","","","","","","0.972","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076030","11.932","0.0012","12.494","0.0011","18.179","0.0014","90","","95.373","0.008","90","","2698.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C36 H30 Fe3 -","- C36 H30 Fe3 -","- C144 H120 Fe12 -","4","1","","Mathur, Pradeep; Singh, Amrendra K.; Singh, Vinay K.; Singh, Priti; Rahul,; Mobin, Shaikh M.; Thöne, Carsten","Coupling Reactions of Ferrocenylacetylene with Mononuclear Metal Carbonyls Fe(CO)5and M(CO)6(M = Mo, W): Synthesis and Characterization of [Fe(CO)2{η5-2,5-Fc2C5H2CO}C(Fc)CH], [Fe(CO)2{η2:η2-2,5-Fc2C4H2Fe(CO)3}-μ-CO], [Fe(CO)3{η2:η2-2,5-Fc2C4H2CO}], 1,2,4-Triferrocenylbenzene, 2,5-Diferrocenylthiophene, and 2,5-Diferrocenylselenophene","Organometallics","2005","24","20","4793","","10.1021/om0504755","","","0.71073","MoKα","","0.0736","0.0342","","","0.0803","0.0968","","","","","","0.919","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076031","8.062","0.0009","24.103","0.0007","9.958","0.0017","90","","90","","90","","1935","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H11 Fe S0.5 -","- C12 H11 Fe S0.5 -","- C96 H88 Fe8 S4 -","8","1","","Mathur, Pradeep; Singh, Amrendra K.; Singh, Vinay K.; Singh, Priti; Rahul,; Mobin, Shaikh M.; Thöne, Carsten","Coupling Reactions of Ferrocenylacetylene with Mononuclear Metal Carbonyls Fe(CO)5and M(CO)6(M = Mo, W): Synthesis and Characterization of [Fe(CO)2{η5-2,5-Fc2C5H2CO}C(Fc)CH], [Fe(CO)2{η2:η2-2,5-Fc2C4H2Fe(CO)3}-μ-CO], [Fe(CO)3{η2:η2-2,5-Fc2C4H2CO}], 1,2,4-Triferrocenylbenzene, 2,5-Diferrocenylthiophene, and 2,5-Diferrocenylselenophene","Organometallics","2005","24","20","4793","","10.1021/om0504755","","","0.71073","MoKα","","0.0556","0.0481","","","0.149","0.1567","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076032","12.2208","0.0013","13.6627","0.0014","22.913","0.002","75.798","0.002","84.57","0.002","64.935","0.002","3359.4","0.6","86","2","86","2","","","","","","","","3","P -1","-P 1","2","Bert*Pb(II)Pb(IV)Bert*.benzene","","","- C78 H102 Pb2 -","- C78 H102 Pb2 -","- C156 H204 Pb4 -","2","1","","Hino, Shirley; Olmstead, Marilyn M.; Power, Philip P.","Characterization of a Plumbylplumbylene: An Isomeric Form of a “Diplumbene”","Organometallics","2005","24","22","5484","","10.1021/om050482t","","","0.71073","MoKα","","0.0296","0.022","","","0.0504","0.0525","","","","","","1.037","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076033","11.489","0.001","16.829","0.001","21.153","0.002","90","","91.547","0.002","90","","4088.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H44 Fe P2 Ru -","- C53 H44 Fe P2 Ru -","- C212 H176 Fe4 P8 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.066","0.043","","0.061","","0.055","","","1.013","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076034","11.484","0.001","16.822","0.002","21.208","0.002","90","","91.704","0.003","90","","4095.2","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H44 Fe Os P2 -","- C53 H44 Fe Os P2 -","- C212 H176 Fe4 Os4 P8 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.087","0.045","","0.06","","0.053","","","0.957","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076035","13.4266","0.0007","13.9603","0.0007","18.912","0.001","90","","109.37","0.001","90","","3344.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Fe P2 Ru -","- C42 H36 Fe P2 Ru -","- C168 H144 Fe4 P8 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.064","0.044","","0.063","","0.056","","","1.092","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076036","17.577","0.002","9.5733","0.001","20.232","0.002","90","","99.597","0.003","90","","3356.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Fe P2 Ru -","- C43 H38 Fe P2 Ru -","- C172 H152 Fe4 P8 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.047","0.031","","0.041","","0.038","","","1.011","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076037","19.574","0.001","12.77","0.001","16.57","0.002","90","","109.423","0.002","90","","3906.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Fe P2 Ru -","- C48 H48 Fe P2 Ru -","- C192 H192 Fe4 P8 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.05","0.034","","0.046","","0.043","","","0.985","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076038","9.918","0.003","10.71","0.003","17.525","0.005","89.258","0.005","84.795","0.005","72.66","0.005","1769.4","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H78 Fe P4 Ru2 -","- C88 H78 Fe P4 Ru2 -","- C88 H78 Fe P4 Ru2 -","1","0.5","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.141","0.087","","0.146","","0.114","","","1.088","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076039","11.727","0.001","12.127","0.001","15.625","0.001","107.713","0.002","111.541","0.002","90.528","0.002","1950.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H102 Fe O2 P4 Ru2 -","- C94 H102 Fe O2 P4 Ru2 -","- C94 H102 Fe O2 P4 Ru2 -","1","0.5","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.082","0.057","","0.08","","0.073","","","1.054","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076040","10.84","0.005","12.788","0.005","15.278","0.006","108.553","0.007","95.423","0.007","95.282","0.007","1982","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H102 Fe3 O2 P4 -","- C94 H102 Fe3 O2 P4 -","- C94 H102 Fe3 O2 P4 -","1","0.5","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.152","0.079","","0.131","","0.103","","","0.987","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076041","16.317","0.001","10.271","0.0008","21.581","0.002","90","","101.885","0.002","90","","3539.3","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41.725 H30.45 Cl1.45 Fe N4 P Ru -","- C41.728 H30.456 Cl1.456 Fe N4 P Ru -","- C166.912 H121.824 Cl5.824 Fe4 N16 P4 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.062","0.042","","0.06","","0.054","","","1.036","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076042","8.9587","0.0006","19.281","0.001","25.191","0.002","90","","96.774","0.002","90","","4320.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cl2 Fe N4 P2 Ru -","- C50 H40 Cl2 Fe N4 P2 Ru -","- C200 H160 Cl8 Fe4 N16 P8 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.073","0.044","","0.075","","0.067","","","1.02","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076043","8.9577","0.0005","19.265","0.001","25.124","0.001","90","","96.562","0.001","90","","4307.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cl2 Fe N4 Os P2 -","- C50 H40 Cl2 Fe N4 Os P2 -","- C200 H160 Cl8 Fe4 N16 Os4 P8 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.064","0.042","","0.13","","0.087","","","1.083","","","0.9","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076044","13.26","0.002","21.108","0.003","17.984","0.003","90","","104.137","0.002","90","","4881.1","1.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H54 Fe N4 O1.18 P2 Ru -","- C57 H54 Fe N4 O1.182 P2 Ru -","- C228 H216 Fe4 N16 O4.728 P8 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.081","0.047","","0.069","","0.06","","","0.98","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076045","15.657","0.003","14.345","0.003","27.231","0.005","90","","98.409","0.003","90","","6050","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Fe N8 P2 Ru2 -","- C72 H48 Fe N8 P2 Ru2 -","- C288 H192 Fe4 N32 P8 Ru8 -","4","0.5","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.119","0.08","","0.123","","0.107","","","1.171","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076046","16.267","0.002","18.328","0.003","18.488","0.003","90","","99.199","0.003","90","","5441.2","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C136 H132 B2 Fe P4 Ru2 -","- C136 H132 B2 Fe P4 Ru2 -","- C272 H264 B4 Fe2 P8 Ru4 -","2","0.5","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.082","0.051","","0.074","","0.065","","","1.021","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076047","9.3844","0.0005","9.1907","0.0004","21.6907","0.001","90","","93.268","0.001","90","","1867.76","0.15","153","1","153","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H56 P4 Pt2 Si4 -","- C28 H56 P4 Pt2 Si4 -","- C56 H112 P8 Pt4 Si8 -","2","0.5","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0267","0.025","","","0.0639","0.0652","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076048","10.675","0.003","18.534","0.003","11.588","0.002","90","","107.95","0.02","90","","2181.1","0.8","223","1","223","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H72 P4 Pt2 Si4 -","- C36 H72 P4 Pt2 Si4 -","- C72 H144 P8 Pt4 Si8 -","2","0.5","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0451","0.0295","","","0.0719","0.077","","","","","","1.03","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076049","9.289","0.001","14.023","0.002","18.694","0.003","88.214","0.003","88.025","0.003","76.432","0.002","2365","0.6","153","1","153","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H72 P6 Pt2 Si4 -","- C34 H72 P6 Pt2 Si4 -","- C68 H144 P12 Pt4 Si8 -","2","1","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0885","0.0782","","","0.2522","0.2581","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076050","9.6262","0.0005","8.7017","0.0005","34.26","0.002","90","","91.957","0.001","90","","2868.1","0.3","153","1","153","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 P2 Pt Si4 -","- C22 H42 P2 Pt Si4 -","- C88 H168 P8 Pt4 Si16 -","4","1","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0418","0.0367","","","0.077","0.0797","","","","","","1.155","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076051","16.8631","0.0008","18.911","0.0009","19.5125","0.001","90","","115.406","0.001","90","","5620.7","0.5","153","1","153","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 P2 Pt Si4 -","- C22 H40 P2 Pt Si4 -","- C176 H320 P16 Pt8 Si32 -","8","2","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0485","0.0353","","","0.0792","0.0868","","","","","","1.036","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076052","8.8429","0.0005","17.0603","0.0009","18.49","0.001","90","","90","","90","","2789.4","0.3","153","1","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 P2 Pt Si4 -","- C22 H40 P2 Pt Si4 -","- C88 H160 P8 Pt4 Si16 -","4","1","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0245","0.0226","","","0.0487","0.0494","","","","","","0.976","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076053","15.3126","0.0002","16.3293","0.0002","16.7496","0.0002","90","","94.382","0.001","90","","4175.89","0.09","120","1","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 Br F6 Fe O P3 -","- C45.5 H43 Br F6 Fe O2 P3 -","- C182 H172 Br4 F24 Fe4 O8 P12 -","4","1","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.0818","0.0681","","","0.1704","0.1821","","","","","","0.994","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076054","15.2639","0.0003","16.6781","0.0003","16.5813","0.0003","90","","93.1275","0.0008","90","","4214.86","0.14","120","1","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 F6 Fe N O2 P3 -","- C45 H47 F6 Fe N O2 P3 -","- C180 H188 F24 Fe4 N4 O8 P12 -","4","1","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.0903","0.0664","","","0.169","0.1904","","","","","","1.008","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076055","25.1849","0.0004","16.6927","0.0003","18.816","0.0004","90","","90","","90","","7910.3","0.3","120","1","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C44 H44 F6 Fe P3 -","- C44 H44 F6 Fe P3 -","- C352 H352 F48 Fe8 P24 -","8","2","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.0993","0.0713","","","0.1687","0.1921","","","","","","1.073","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076056","27.4521","0.0006","13.0301","0.0003","23.5369","0.0004","90","","91.237","0.001","90","","8417.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H184 F24 Fe4 P12 -","- C180 H184 F24 Fe4 P12 -","- C360 H368 F48 Fe8 P24 -","2","0.25","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.154","0.067","","","0.1752","0.2176","","","","","","1.02","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076057","13.0259","0.0002","15.1369","0.0003","23.4141","0.0005","90","","105.934","0.001","90","","4439.22","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 Cl2 F6 Fe N P3 -","- C45 H47 Cl2 F6 Fe N P3 -","- C180 H188 Cl8 F24 Fe4 N4 P12 -","4","1","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.1211","0.0712","","","0.184","0.2158","","","","","","1.042","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076058","11.7138","0.0001","21.1255","0.0002","17.4624","0.0002","90","","90.087","0.002","90","","4321.24","0.07","120","1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 F6 Fe P3 -","- C48 H52 F6 Fe P3 -","- C192 H208 F24 Fe4 P12 -","4","1","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.0497","0.0435","","","0.118","0.1236","","","","","","1.022","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076059","13.062","0.004","14.194","0.007","15.229","0.004","66.88","0.03","70.28","0.02","63.82","0.03","2283.8","1.6","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H37 Cl3 F6 N O2 P3 Ru S -","- C42 H37 Cl3 F6 N O2 P3 Ru S -","- C84 H74 Cl6 F12 N2 O4 P6 Ru2 S2 -","2","1","","Hill, Anthony F.; Tocher, Derek A.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Thiocarbamoyl Complexes of Ruthenium(II), Rhodium(III), and Iridium(III)","Organometallics","2005","24","22","5342","","10.1021/om050514c","","","1.54178","CuKα","","0.067","0.0473","","","0.1116","0.1203","","","","","","1.03","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076060","17.314","0.002","9.4199","0.001","25.059","0.003","90","","92.716","0.008","90","","4082.4","0.8","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 Cl4 N O P2 Ru S -","- C41 H37 Cl4 N O P2 Ru S -","- C164 H148 Cl16 N4 O4 P8 Ru4 S4 -","4","1","","Hill, Anthony F.; Tocher, Derek A.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Thiocarbamoyl Complexes of Ruthenium(II), Rhodium(III), and Iridium(III)","Organometallics","2005","24","22","5342","","10.1021/om050514c","","","0.71073","MoKα","","0.1972","0.0792","","","0.1394","0.1692","","","","","","0.913","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076061","12.5073","0.0018","12.9507","0.0016","13.3127","0.0011","85.265","0.007","87.535","0.012","88.242","0.012","2146.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H40 Cl6 Ir N P2 S -","- C41.001 H40.002 Cl6.002 Ir N P2 S -","- C82.002 H80.004 Cl12.004 Ir2 N2 P4 S2 -","2","1","","Hill, Anthony F.; Tocher, Derek A.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Thiocarbamoyl Complexes of Ruthenium(II), Rhodium(III), and Iridium(III)","Organometallics","2005","24","22","5342","","10.1021/om050514c","","","0.71073","MoKα","","0.0717","0.0456","","","0.0908","0.098","","","","","","1.002","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076062","9.513","0.002","14.79","0.002","24.54","0.002","73.757","0.011","87.499","0.012","87.346","0.018","3309.6","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H42 Cl20 Ir N P2 S2 -","- C46 H42 Cl20 Ir N P2 S2 -","- C92 H84 Cl40 Ir2 N2 P4 S4 -","2","1","","Hill, Anthony F.; Tocher, Derek A.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Thiocarbamoyl Complexes of Ruthenium(II), Rhodium(III), and Iridium(III)","Organometallics","2005","24","22","5342","","10.1021/om050514c","","","0.71073","MoKα","","0.066","0.0504","","","0.1242","0.1314","","","","","","1.028","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076063","10.8248","0.0002","12.6089","0.0003","20.0674","0.0005","90","","92.6808","0.001","90","","2735.98","0.11","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 1","","","- C25 H45 La Mg O5 -","- C25 H45 La Mg O5 -","- C100 H180 La4 Mg4 O20 -","4","1","","Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Synthesis and Structures of New Mixed-Metal Lanthanide/Magnesium Allyl Complexes","Organometallics","2005","24","22","5329","","10.1021/om0505155","","","0.71073","MoKα","","0.0803","0.0485","","","0.0897","0.101","","","","","","1.045","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076064","22.0174","0.0007","12.4833","0.0006","10.7855","0.0003","90","","116.344","0.002","90","","2656.53","0.18","293","2","180","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Compound 2","","","- C25 H45 Mg O5 Y -","- C25 H43.8 Mg O5 Y -","- C100 H175.2 Mg4 O20 Y4 -","4","1","","Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Synthesis and Structures of New Mixed-Metal Lanthanide/Magnesium Allyl Complexes","Organometallics","2005","24","22","5329","","10.1021/om0505155","","","0.71073","Mo-Kα","","0.0553","0.0427","","","0.0963","0.1017","","","","","","1.092","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076065","12.3977","0.0002","21.6574","0.0002","14.9078","0.0002","90","","104.417","0.0005","90","","3876.72","0.09","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3","","","- C73 H126 Mg O6 Sm4 -","- C73 H126 Mg O6 Sm4 -","- C146 H252 Mg2 O12 Sm8 -","2","0.5","","Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Synthesis and Structures of New Mixed-Metal Lanthanide/Magnesium Allyl Complexes","Organometallics","2005","24","22","5329","","10.1021/om0505155","","","0.71073","MoKα","","0.0697","0.0402","","","0.0838","0.093","","","","","","1.024","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076066","23.3797","0.0004","21.6107","0.0004","12.3467","0.0003","90","","103.252","0.0008","90","","6072.1","0.2","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 5","","","- C56 H104 Mg O8 Sm2 -","- C56 H104 Mg O8 Sm2 -","- C224 H416 Mg4 O32 Sm8 -","4","0.5","","Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Synthesis and Structures of New Mixed-Metal Lanthanide/Magnesium Allyl Complexes","Organometallics","2005","24","22","5329","","10.1021/om0505155","","","0.71073","MoKα","","0.0658","0.0391","","","0.0747","0.0838","","","","","","1.022","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076067","12.6296","0.001","14.8567","0.0011","19.8143","0.0014","90","","90","","90","","3717.8","0.5","208","2","208","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Cl2 Fe N P2 Pd -","- C37 H35 Cl2 Fe N P2 Pd -","- C148 H140 Cl8 Fe4 N4 P8 Pd4 -","4","1","","Ghent, Brenna L.; Sites, Lauren A.; Rheingold, Arnold L.; Nataro, Chip","BoPhoz Ligands: Anodic Electrochemistry and Complexes†","Organometallics","2005","24","20","4788","","10.1021/om050516x","","","0.71073","MoKα","","0.0346","0.032","","","0.0814","0.0825","","","","","","1.045","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076068","8.3478","0.0008","19.0037","0.0019","22.389","0.002","90","","90","","90","","3551.8","0.6","208","2","208","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H47 Cl2 Fe N P2 Pd -","- C37 H47 Cl2 Fe N P2 Pd -","- C148 H188 Cl8 Fe4 N4 P8 Pd4 -","4","1","","Ghent, Brenna L.; Sites, Lauren A.; Rheingold, Arnold L.; Nataro, Chip","BoPhoz Ligands: Anodic Electrochemistry and Complexes†","Organometallics","2005","24","20","4788","","10.1021/om050516x","","","0.71073","MoKα","","0.0275","0.0257","","","0.0624","0.0631","","","","","","1.103","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076069","6.6982","0.0019","8.581","0.003","13.423","0.004","76.702","0.005","84.661","0.006","88.959","0.006","747.6","0.4","383","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C13 H12 Cl4 N2 Pd -","- C13 H12 Cl4 N2 Pd -","- C26 H24 Cl8 N4 Pd2 -","2","2","","Calmuschi-Cula, Beatrice; Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","The Firsttrans-Configured Cyclopalladated Amine","Organometallics","2005","24","22","5491","","10.1021/om050524d","","","0.7107","MoKα","","0.0849","0.0683","","","0.1674","0.1763","","","","","","1.013","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076070","14.3848","0.0015","7.5381","0.0007","15.2675","0.0013","90","","110.582","0.01","90","","1549.8","0.3","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cl3 N2 Nb Si -","- C10 H18 Cl3 N2 Nb Si -","- C40 H72 Cl12 N8 Nb4 Si4 -","4","1","","Maestre, M. Carmen; Tabernero, Vanessa; Mosquera, Marta E. G.; Jiménez, Gerardo; Cuenca, Tomás","Cyclopentadienyl-Silyl-Amido Niobium Complexes Prepared by a Transmetalation Reaction Using Ti{η5-C5H4SiMe2-η-N(CH2)2NRR‘}Cl2†","Organometallics","2005","24","24","5853","","10.1021/om0505312","","x-ray","0.71073","MoKα","","0.0568","0.0326","","","0.0633","0.0687","","","","","","1.006","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076071","9.7813","0.0006","23.2181","0.0014","15.7888","0.0009","90","","92.114","0.001","90","","3583.2","0.4","96","2","96","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B N5 Pt -","- C36 H58 B N5 Pt -","- C144 H232 B4 N20 Pt4 -","4","1","","Thomas, Christine M.; Peters, Jonas C.","Comparative Studies with Zwitterionic Platinum(II) Bis(pyrazolyl)borate and 2,2‘-Bipyridylborate Complexes","Organometallics","2005","24","24","5858","","10.1021/om050538j","","","0.71073","MoKα","","0.0327","0.0299","","","0.0721","0.0728","","","","","","1.773","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076073","14.8387","0.0011","17.0287","0.0013","17.1175","0.0013","90","","103.087","0.001","90","","4213","0.6","96","2","96","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 B N5 Pt -","- C46 H62 B N5 Pt -","- C184 H248 B4 N20 Pt4 -","4","1","","Thomas, Christine M.; Peters, Jonas C.","Comparative Studies with Zwitterionic Platinum(II) Bis(pyrazolyl)borate and 2,2‘-Bipyridylborate Complexes","Organometallics","2005","24","24","5858","","10.1021/om050538j","","","0.71073","MoKα","","0.0491","0.0306","","","0.0509","0.0533","","","","","","1.249","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076074","8.2302","0.0007","14.2054","0.0011","14.6026","0.0012","67.3","0.001","74.056","0.001","82.565","0.001","1513.9","0.2","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H39 B N4 Pt -","- C33 H35 B N6 Pt -","- C66 H70 B2 N12 Pt2 -","2","1","","Thomas, Christine M.; Peters, Jonas C.","Comparative Studies with Zwitterionic Platinum(II) Bis(pyrazolyl)borate and 2,2‘-Bipyridylborate Complexes","Organometallics","2005","24","24","5858","","10.1021/om050538j","","","0.71073","MoKα","","0.0342","0.0306","","","0.0713","0.0721","","","","","","1.497","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076075","15.901","0.003","7.3668","0.0012","12.472","0.002","90","","109.739","0.002","90","","1375.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3a","Bis[N(ethylideneimino)acetimidato-N,O]silacyclobutane","","- C11 H20 N4 O2 Si -","- C11 H20 N4 O2 Si -","- C44 H80 N16 O8 Si4 -","4","0.5","","Gostevskii, Boris; Kalikhman, Inna; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Hexacoordinate Complexes of Silacyclobutane: Spontaneous Ring Opening and Rearrangement","Organometallics","2005","24","24","5786","","10.1021/om0505559","","","0.71073","MoKα","","0.0602","0.0497","","","0.1096","0.1144","","","","","","1.12","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076076","11.1551","0.001","9.0352","0.0008","43.602","0.004","90","","90","","90","","4394.6","0.7","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4b","","","- C23 H28 N4 O2 Si -","- C23 H28 N4 O2 Si -","- C184 H224 N32 O16 Si8 -","8","2","","Gostevskii, Boris; Kalikhman, Inna; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Hexacoordinate Complexes of Silacyclobutane: Spontaneous Ring Opening and Rearrangement","Organometallics","2005","24","24","5786","","10.1021/om0505559","","","0.71073","MoKα","","0.088","0.0716","","","0.1413","0.1473","","","","","","1.165","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076077","31.124","0.003","8.5609","0.0007","31.249","0.003","90","","96.615","0.002","90","","8270.8","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","7c","","","- C21 H24 N4 O2 Si -","- C21 H24 N4 O2 Si -","- C336 H384 N64 O32 Si16 -","16","2","","Gostevskii, Boris; Kalikhman, Inna; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Hexacoordinate Complexes of Silacyclobutane: Spontaneous Ring Opening and Rearrangement","Organometallics","2005","24","24","5786","","10.1021/om0505559","","","0.71073","MoKα","","0.0685","0.0536","","","0.1216","0.1281","","","","","","1.091","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076078","11.8789","0.0006","19.3238","0.001","16.9639","0.0009","90","","95.917","0.001","90","","3873.2","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cl F3 N2 O3 Os S -","- C38 H50 Cl F3 N2 O3 Os S -","- C152 H200 Cl4 F12 N8 O12 Os4 S4 -","4","1","","Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique","N-Heterocyclic Carbene−Osmium Complexes for Olefin Metathesis Reactions","Organometallics","2005","24","18","4343","","10.1021/om050569e","","","0.71073","MoKα","","0.0297","0.0244","","","0.0524","0.0536","","","","","","0.954","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076079","10.5489","0.0013","13.6621","0.0017","17.715","0.002","90.72","0.002","99.395","0.002","112.231","0.002","2323.9","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H58 Cl3 F3 N2 O3 Os S -","- C46 H58 Cl3 F3 N2 O3 Os S -","- C92 H116 Cl6 F6 N4 O6 Os2 S2 -","2","1","","Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique","N-Heterocyclic Carbene−Osmium Complexes for Olefin Metathesis Reactions","Organometallics","2005","24","18","4343","","10.1021/om050569e","","","0.71073","MoKα","","0.0472","0.034","","","0.0596","0.0618","","","","","","0.858","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076080","14.289","0.005","13.482","0.005","19.369","0.008","90","","100.15","0.02","90","","3673","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H39 Cl3 P2 Pt -","- C36.5 H39 Cl3 P2 Pt -","- C146 H156 Cl12 P8 Pt4 -","4","1","","Doherty, Simon; Goodrich, Peter; Hardacre, Christopher; Luo, He−Kuan; Nieuwenhuyzen, Mark; Rath, Rakesh K.","Lewis Acid Platinum Complexes of Conformationally Flexible NUPHOS Diphosphines: Highly Efficient Catalysts for the Carbonyl−Ene Reaction","Organometallics","2005","24","24","5945","","10.1021/om0505716","","","1.54178","CuKα","","0.0685","0.0587","","","0.1582","0.1675","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076081","11.647","0.003","23.066","0.005","19.835","0.004","90","","102.196","0.004","90","","5208","2","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H52 Cl6 N2 O8 P2 Pt -","- C48 H52 Cl6 N2 O8 P2 Pt -","- C192 H208 Cl24 N8 O32 P8 Pt4 -","4","2","","Doherty, Simon; Goodrich, Peter; Hardacre, Christopher; Luo, He−Kuan; Nieuwenhuyzen, Mark; Rath, Rakesh K.","Lewis Acid Platinum Complexes of Conformationally Flexible NUPHOS Diphosphines: Highly Efficient Catalysts for the Carbonyl−Ene Reaction","Organometallics","2005","24","24","5945","","10.1021/om0505716","","","0.71073","MoKα","","0.053","0.0413","","","0.0849","0.0903","","","","","","0.976","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076082","11.1134","0.0011","10.8541","0.0011","17.9936","0.0019","90","","96.944","0.003","90","","2154.6","0.4","188","2","188","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H54 N2 P2 Ru Si4 -","- C32 H54 N2 P2 Ru Si4 -","- C64 H108 N4 P4 Ru2 Si8 -","2","0.5","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.71069","MoKα","","0.0436","0.0328","","","0.0844","0.0885","","","","","","0.972","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076083","10.2121","0.0004","10.3162","0.0003","22.133","0.001","87.707","0.007","79.077","0.006","64.334","0.004","2061.24","0.16","173.2","","173.2","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H58 N2 Na O P Ru Si2 -","- C43 H58 N2 Na O P Ru Si2 -","- C86 H116 N4 Na2 O2 P2 Ru2 Si4 -","2","1","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.7107","MoKα","","0.052","0.029","","0.0821","","0.0821","","","1.484","","","1.485","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076084","9.0674","0.0003","19.9274","0.0005","23.055","0.001","90","","90","","90","","4165.8","0.3","198.2","","198.2","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C43 H58 Li N2 O P Ru Si2 -","- C43 H58 Li N2 O P Ru Si2 -","- C172 H232 Li4 N8 O4 P4 Ru4 Si8 -","4","1","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.7107","MoKα","","0.0461","0.026","","0.0688","","0.0688","","","0.944","","","0.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076085","42.2752","0.0007","42.2752","0.0007","9.0004","0.0003","90","","90","","120","","13930.4","0.6","173.2","","173.2","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H43 N2 P Ru Si2 -","- C32 H43 N2 P Ru Si2 -","- C576 H774 N36 P18 Ru18 Si36 -","18","1","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.7107","MoKα","","0.0502","0.028","","0.0759","","0.0759","","","0.875","","","0.875","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076086","20.3845","0.0008","21.7255","0.0008","43.1498","0.0019","90","","90","","90","","19109.5","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44.5 H63 N2 P3 Ru Si4 -","- C44.5 H63 N2 P3 Ru Si4 -","- C712 H1008 N32 P48 Ru16 Si64 -","16","2","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.71069","MoKα","","0.0831","0.0642","","","0.1484","0.1581","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076087","14.1508","0.0006","20.5058","0.0008","14.7262","0.0006","90","","90.897","0.001","90","","4272.6","0.3","100","1","100","1","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Cl5 D O2 P2 Pt -","- C45 H36 Cl5 D O2 P2 Pt -","- C180 H144 Cl20 D4 O8 P8 Pt4 -","4","1","","van der Vlugt, Jarl Ivar; van Duren, Ruben; Batema, Guido D.; den Heeten, René; Meetsma, Auke; Fraanje, Jan; Goubitz, Kees; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M.; Vogt, Dieter","Platinum Complexes of Rigid Bidentate Phosphine Ligands in the Hydroformylation of 1-Octene","Organometallics","2005","24","22","5377","","10.1021/om050575a","","","0.71073","MoKα","","0.0329","0.0275","","","0.065","0.0673","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076088","11.114","0.002","13.035","0.003","13.05","0.002","104.61","0.02","95.16","0.01","95.38","0.02","1808.7","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Cl2 P2 Pt -","- C42 H32 Cl2 P2 Pt -","- C84 H64 Cl4 P4 Pt2 -","2","1","","van der Vlugt, Jarl Ivar; van Duren, Ruben; Batema, Guido D.; den Heeten, René; Meetsma, Auke; Fraanje, Jan; Goubitz, Kees; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M.; Vogt, Dieter","Platinum Complexes of Rigid Bidentate Phosphine Ligands in the Hydroformylation of 1-Octene","Organometallics","2005","24","22","5377","","10.1021/om050575a","","","0.71069","MoKα","","0.04","0.028","","0.044","","0.031","","","1.476","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076089","12.356","0.003","8.487","0.0017","18.52","0.004","90","","91.9","0.03","90","","1941","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H66 N2 Si10 -","- C22 H66 N2 Si10 -","- C44 H132 N4 Si20 -","2","0.5","","Stueger, Harald; Fuerpass, Gottfried; Renger, Karin; Baumgartner, Judith","Synthesis, Structures, and Unusual Photoluminescence of O- and N-Functional Cyclohexasilanes","Organometallics","2005","24","26","6374","","10.1021/om050587w","","","0.71073","MoKα","","0.0425","0.0391","","","0.1071","0.1091","","","","","","1.068","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076090","14.398","0.003","25.476","0.005","10.577","0.002","90","","90","","90","","3879.7","1.3","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H60 O2 Si8 -","- C22 H60 O2 Si8 -","- C88 H240 O8 Si32 -","4","0.5","","Stueger, Harald; Fuerpass, Gottfried; Renger, Karin; Baumgartner, Judith","Synthesis, Structures, and Unusual Photoluminescence of O- and N-Functional Cyclohexasilanes","Organometallics","2005","24","26","6374","","10.1021/om050587w","","","0.71073","MoKα","","0.0922","0.0655","","","0.1872","0.2038","","","","","","1.018","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076091","12.628","0.003","10.543","0.002","14.917","0.003","90","","106.36","0.03","90","","1905.6","0.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H60 O2 Si8 -","- C22 H60 O2 Si8 -","- C44 H120 O4 Si16 -","2","0.5","","Stueger, Harald; Fuerpass, Gottfried; Renger, Karin; Baumgartner, Judith","Synthesis, Structures, and Unusual Photoluminescence of O- and N-Functional Cyclohexasilanes","Organometallics","2005","24","26","6374","","10.1021/om050587w","","","0.71073","MoKα","","0.0998","0.0619","","","0.1621","0.1837","","","","","","1.035","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076092","10.014","0.002","10.973","0.002","14.842","0.003","90","","97.02","0.03","90","","1618.7","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H48 O2 Si8 -","- C16 H48 O2 Si8 -","- C32 H96 O4 Si16 -","2","0.5","","Stueger, Harald; Fuerpass, Gottfried; Renger, Karin; Baumgartner, Judith","Synthesis, Structures, and Unusual Photoluminescence of O- and N-Functional Cyclohexasilanes","Organometallics","2005","24","26","6374","","10.1021/om050587w","","","0.71073","MoKα","","0.0989","0.0564","","","0.1226","0.1338","","","","","","0.961","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076093","9.197","0.001","11.255","0.001","17.432","0.001","79.97","0.01","87.83","0.01","86.5","0.01","1772.9","0.3","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 N O Ti -","- C19 H27 N O Ti -","- C76 H108 N4 O4 Ti4 -","4","2","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0884","0.0512","","","0.1047","0.1188","","","","","","1.023","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076094","8.889","0.001","8.988","0.001","10.515","0.001","111.86","0.01","94.71","0.01","104.14","0.01","741.95","0.16","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O Ti -","- C16 H21 N O Ti -","- C32 H42 N2 O2 Ti2 -","2","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0445","0.0377","","","0.0992","0.1038","","","","","","1.034","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076095","7.82","0.001","11.577","0.001","16.91","0.001","90","","90","","90","","1530.9","0.3","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O Ti -","- C16 H21 N O Ti -","- C64 H84 N4 O4 Ti4 -","4","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0655","0.0424","","","0.0907","0.099","","","","","","0.972","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076096","9.409","0.001","9.442","0.001","11.747","0.001","76.51","0.01","73.7","0.01","65.31","0.01","901.99","0.18","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 N O Zr -","- C19 H27 N O Zr -","- C38 H54 N2 O2 Zr2 -","2","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0264","0.0244","","","0.0655","0.0669","","","","","","1.004","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076097","9.118","0.001","10.196","0.001","11.842","0.001","78.07","0.01","73.09","0.01","81.5","0.01","1026.03","0.19","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H25 Cl2 N O Ti -","- C20.5 H25 Cl2 N O Ti -","- C41 H50 Cl4 N2 O2 Ti2 -","2","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0409","0.035","","","0.0917","0.0958","","","","","","0.98","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076098","8.95","0.001","14.276","0.001","15.915","0.001","64.89","0.01","88.06","0.01","80.45","0.01","1814.2","0.3","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Cl2 N O Ti -","- C17 H21 Cl2 N O Ti -","- C68 H84 Cl8 N4 O4 Ti4 -","4","2","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0434","0.0343","","","0.0865","0.0919","","","","","","1.005","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076099","15.058","0.001","18.737","0.001","12.564","0.001","90","","114.18","0.01","90","","3233.8","0.5","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl2 N Ti -","- C14 H23 Cl2 N Ti -","- C112 H184 Cl16 N8 Ti8 -","8","2","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0953","0.0782","","","0.1881","0.196","","","","","","1.018","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076100","18.28","0.001","8.406","0.001","9.45","0.001","90","","90","","90","","1452.1","0.2","198","2","198","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H15 Cl2 N O Ti -","- C14 H15 Cl2 N O Ti -","- C56 H60 Cl8 N4 O4 Ti4 -","4","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0342","0.0311","","","0.0772","0.0788","","","","","","1.034","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076101","8.739","0.001","9.758","0.001","11.401","0.001","91.13","0.01","95.52","0.01","112.59","0.01","891.77","0.17","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H19 Cl2 N O Ti -","- C17.5 H19 Cl2 N O Ti -","- C35 H38 Cl4 N2 O2 Ti2 -","2","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.04","0.0354","","","0.0906","0.094","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076102","12.527","0.001","13.747","0.001","15.721","0.001","90","","90","","90","","2707.3","0.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Cl2 N Ti -","- C13 H13 Cl2 N Ti -","- C104 H104 Cl16 N8 Ti8 -","8","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.043","0.0313","","","0.0746","0.0801","","","","","","1.027","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076103","21.8924","0.0007","21.8924","0.0007","32.8309","0.0008","90","","90","","90","","15735.1","0.8","150","2","150","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C32 H40 F12 Ir2 N8 P2 -","- C32 H40 F12 Ir2 N8 P2 -","- C512 H640 F192 Ir32 N128 P32 -","16","0.5","","Thewissen, Simone; Reijnders, Maike D. M.; Smits, Jan M. M.; de Bruin, Bas","Instability of Square Planar N3-Ligand Iridium(I) Ethene Complexes","Organometallics","2005","24","24","5964","","10.1021/om050594k","","","0.71073","MoKα","","0.0585","0.0436","","0.1142","0.1066","0.1142","","","1.029","","","1.029","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076104","12.0391","0.0014","15.756","0.002","14.3507","0.0018","90","","94.045","0.011","90","","2715.4","0.6","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 F6 Ir N3 O2 P -","- C25 H30 F6 Ir N3 O2 P -","- C100 H120 F24 Ir4 N12 O8 P4 -","4","1","","Thewissen, Simone; Reijnders, Maike D. M.; Smits, Jan M. M.; de Bruin, Bas","Instability of Square Planar N3-Ligand Iridium(I) Ethene Complexes","Organometallics","2005","24","24","5964","","10.1021/om050594k","","","0.71073","MoKα","","0.0531","0.0381","","0.1285","0.1092","0.1285","","","1.11","","","1.11","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076105","14.086","0.007","21.333","0.01","15.408","0.008","90","","109.958","0.007","90","","4352","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 B20 O2 Rh2 S4 W -","- C26 H50 B20 O2 Rh2 S4 W -","- C104 H200 B80 O8 Rh8 S16 W4 -","4","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.1182","0.0565","","","0.1227","0.1428","","","","","","1.044","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076106","27.721","0.009","13.841","0.005","25.617","0.009","90","","114.495","0.004","90","","8944","5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 B20 O2 Rh2 Se4 W -","- C26 H50 B20 O2 Rh2 Se4 W -","- C208 H400 B160 O16 Rh16 Se32 W8 -","8","2","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.0993","0.0382","","","0.0564","0.0664","","","","","","0.723","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076107","18.071","0.003","12.41","0.002","15.353","0.003","90","","114.356","0.003","90","","3136.6","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H20 B5 Rh S -","- C11 H20 B5 Rh S -","- C88 H160 B40 Rh8 S8 -","8","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.0659","0.0433","","","0.098","0.1076","","","","","","1.029","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076108","12.287","0.006","13.278","0.006","13.865","0.006","73.666","0.007","65.349","0.007","73.831","0.007","1938.9","1.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H37 B20 Cl2 O2 Rh S4 W -","- C17 H37 B20 Cl2 O2 Rh S4 W -","- C34 H74 B40 Cl4 O4 Rh2 S8 W2 -","2","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.1015","0.063","","","0.148","0.1614","","","","","","0.928","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076109","11.273","0.003","14.837","0.004","19.172","0.006","68.45","0.005","80.684","0.005","89.393","0.005","2939","1.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H25 B10 O6 Rh Se2 W -","- C18 H25 B10 O6 Rh Se2 W -","- C72 H100 B40 O24 Rh4 Se8 W4 -","4","2","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.1312","0.0535","","","0.0945","0.1107","","","","","","0.755","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076110","10.123","0.002","15.764","0.004","34.566","0.008","90","","90","","90","","5516","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 O5 Rh S2 -","- C17 H25 B10 Co2 O5 Rh S2 -","- C136 H200 B80 Co16 O40 Rh8 S16 -","8","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.0756","0.0535","","","0.1034","0.1204","","","","","","1.172","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076111","10.129","0.002","16.048","0.004","34.604","0.008","90","","90","","90","","5625","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 O5 Rh Se2 -","- C17 H25 B10 Co2 O5 Rh Se2 -","- C136 H200 B80 Co16 O40 Rh8 Se16 -","8","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.0672","0.0429","","","0.0802","0.0882","","","","","","1.059","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076112","15.708","0.0001","11.188","0.0001","24.834","0.0002","90","","90.417","0.001","90","","4364.24","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 Cl N4 P Ru -","- C48 H64 Cl N4 P Ru -","- C192 H256 Cl4 N16 P4 Ru4 -","4","1","","Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.","Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene","Organometallics","2005","24","24","5868","","10.1021/om050600c","","","0.71073","MoKα","","0.0451","0.0336","","","0.0683","0.0725","","","","","","1.04","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076113","12.452","0.0001","22.015","0.0001","18.472","0.0001","90","","108.387","0.001","90","","4805.23","0.06","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H57 Cl3 N2 O P2 Ru -","- C53 H57 Cl3 N2 O P2 Ru -","- C212 H228 Cl12 N8 O4 P8 Ru4 -","4","1","","Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.","Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene","Organometallics","2005","24","24","5868","","10.1021/om050600c","","","0.71073","MoKα","","0.037","0.0307","","","0.0683","0.0707","","","","","","1.067","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076114","9.737","0.0002","13.1","0.0004","19.075","0.0005","75.405","0.001","86.082","0.001","69.051","0.001","2198.31","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H55 Cl N2 P2 Ru -","- C51 H55 Cl N2 P2 Ru -","- C102 H110 Cl2 N4 P4 Ru2 -","2","1","","Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.","Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene","Organometallics","2005","24","24","5868","","10.1021/om050600c","","","0.71073","MoKα","","0.0801","0.0495","","","0.1087","0.1239","","","","","","1.051","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076115","9.718","0.0001","19.708","0.0003","22.873","0.0004","90","","90","","90","","4380.69","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H65 N4 O P Ru -","- C49 H65 N4 O P Ru -","- C196 H260 N16 O4 P4 Ru4 -","4","1","","Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.","Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene","Organometallics","2005","24","24","5868","","10.1021/om050600c","","","0.71073","MoKα","","0.0709","0.0444","","","0.077","0.0851","","","","","","1.028","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076116","9.093","0.0001","23.954","0.0003","20.592","0.0003","90","","91.258","0.001","90","","4484.14","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 N2 O P2 Ru -","- C52 H56 N2 O P2 Ru -","- C208 H224 N8 O4 P8 Ru4 -","4","1","","Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.","Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene","Organometallics","2005","24","24","5868","","10.1021/om050600c","","","0.71073","MoKα","","0.1381","0.0742","","","0.136","0.1531","","","","","","1.107","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076117","8.527","0.002","11.504","0.002","18.451","0.004","80.97","0.02","79.34","0.02","64.36","0.01","1597.5","0.6","193.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H48 Br N3 Ni O2 -","- C30.5 H47.5 Br N3 Ni O2 -","- C61 H95 Br2 N6 Ni2 O4 -","2","1","","Li, Wanfei; Sun, Hongmei; Chen, Muzi; Wang, Zhiguo; Hu, Dongmei; Shen, Qi; Zhang, Yong","Synthesis of Salicylaldiminato-Functionalized N-Heterocyclic Carbene Complex of Nickel(II) and Its Catalytic Activity for Styrene Polymerization","Organometallics","2005","24","24","5925","","10.1021/om050612y","","","0.7107","MoKα","","","0.074","","","","0.172","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076118","16.8447","0.0003","17.0707","0.0004","17.7094","0.0004","90","","90","","90","","5092.35","0.19","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","sa0411","","","- C25 H34 Cl Fe Ga O2 -","- C25 H34 Cl Fe Ga O2 -","- C200 H272 Cl8 Fe8 Ga8 O16 -","8","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.1327","0.0532","","","0.1076","0.1304","","","","","","1.031","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076119","15.2046","0.0004","19.8952","0.0005","20.2595","0.0007","90","","90","","90","","6128.5","0.3","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C30 H44 Cl Fe Ga O2 -","- C30 H45 Cl Fe Ga O2 -","- C240 H360 Cl8 Fe8 Ga8 O16 -","8","","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.1121","0.0735","","","0.188","0.2062","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076120","15.0781","0.0004","20.5262","0.0006","20.4631","0.0008","90","","90","","90","","6333.2","0.4","180","2","180","2","","","","","","","","6","C m c a","-C 2ac 2","64","sa0516","","","- C30 H44 Br Fe In O2 -","- C30 H44 Br Fe In O2 -","- C240 H352 Br8 Fe8 In8 O16 -","8","","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0935","0.0517","","","0.1071","0.1206","","","","","","1.03","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076121","11.1946","0.0002","12.9307","0.0003","16.9269","0.0004","90","","90","","90","","2450.24","0.09","150","2","150","2","","","","","","","","6","P c n b","-P 2b 2ac","60","sa0401","","","- C24 H30 Cl Fe2 Ga O4 -","- C24 H30 Cl Fe2 Ga O4 -","- C96 H120 Cl4 Fe8 Ga4 O16 -","4","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0678","0.0486","","","0.0981","0.105","","","","","","1.088","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076122","13.434","0.0002","11.241","0.0002","17.013","0.0003","90","","94.136","0.001","90","","2562.47","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sa0511","","","- C24 H30 Fe2 Ga I O4 -","- C24 H30 Fe2 Ga I O4 -","- C96 H120 Fe8 Ga4 I4 O16 -","4","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0448","0.0321","","","0.0651","0.0701","","","","","","1.025","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076123","13.4349","0.0003","11.5133","0.0003","17.0644","0.0005","90","","94.34","0.001","90","","2631.95","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sa0422","","","- C24 H30 Fe2 I In O4 -","- C24 H30 Fe2 I In O4 -","- C96 H120 Fe8 I4 In4 O16 -","4","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0586","0.0401","","","0.0782","0.0846","","","","","","1.036","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076124","13.312","0.0002","11.3692","0.0001","16.9419","0.0002","90","","94.042","0.001","90","","2557.72","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sa0506","","","- C24 H30 Br Fe2 In O4 -","- C24 H30 Br Fe2 In O4 -","- C96 H120 Br4 Fe8 In4 O16 -","4","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0258","0.0226","","","0.0524","0.0538","","","","","","1.052","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076125","8.7885","0.0009","8.5803","0.0009","14.0831","0.0011","90","","90.052","0.009","90","","1061.98","0.18","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 Fe2 Ga2 I2 O4 -","- C14 H10 Br2 Fe2 Ga2 I2 O4 -","- C28 H20 Br4 Fe4 Ga4 I4 O8 -","2","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0646","0.0608","","","0.2068","0.2108","","","","","","1.156","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076126","7.6338","0.0003","14.8212","0.0006","9.9594","0.0005","90","","90.796","0.002","90","","1126.72","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","sa0424","","","- C14 H10 Br2 Fe2 I2 In2 O4 -","- C14 H10 Br2 Fe2 I2 In2 O4 -","- C28 H20 Br4 Fe4 I4 In4 O8 -","2","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0592","0.0491","","","0.1179","0.1241","","","","","","1.142","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076127","7.92","0.0003","9.896","0.0003","15.26","0.0006","100.582","0.001","97.67","0.001","113.333","0.002","1050.98","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","sa0434","","","- C14 H10 Fe2 Ga I3 O4 -","- C14 H10 Fe2 Ga I3 O4 -","- C28 H20 Fe4 Ga2 I6 O8 -","2","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0851","0.0503","","","0.1174","0.1331","","","","","","1.021","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076128","8.9422","0.0003","8.7431","0.0003","14.4917","0.0006","90","","90.301","0.001","90","","1132.98","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sa0505","","","- C14 H10 Fe2 Ga2 I4 O4 -","- C14 H10 Fe2 Ga2 I4 O4 -","- C28 H20 Fe4 Ga4 I8 O8 -","2","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0492","0.0424","","","0.1049","0.1087","","","","","","1.148","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076129","8.4507","0.0002","9.6929","0.0003","11.4642","0.0003","75.939","0.001","74.028","0.002","67.56","0.001","824.33","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","sa0423","","","- C24 H30 Fe2 Ga2 I4 O4 -","- C24 H30 Fe2 Ga2 I4 O4 -","- C24 H30 Fe2 Ga2 I4 O4 -","1","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0571","0.0408","","","0.0902","0.0977","","","","","","1.031","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076130","14.981","0.0002","21.521","0.0003","29.839","0.0004","90","","90","","90","","9620.3","0.2","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","sa0510","","","- C37.5 H46.5 Cl3 Fe3 In2 O6 -","- C37.5 H45 Cl3 Fe3 In2 O6 -","- C300 H360 Cl24 Fe24 In16 O48 -","8","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0835","0.0527","","","0.1356","0.1499","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076131","16.5418","0.0002","19.4094","0.0003","14.5409","0.0003","90","","123.094","0.001","90","","3911.24","0.12","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","sa0428","","","- C16 H15 Fe Ga I2 N O2 -","- C16 H12 Fe Ga I2 N O2 -","- C128 H96 Fe8 Ga8 I16 N8 O16 -","8","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0873","0.07","","","0.2128","0.2299","","","","","","1.053","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076132","7.5598","0.0002","18.7946","0.0005","23.1101","0.0006","90","","90","","90","","3283.56","0.15","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","sa0429","","","- C28 H20 Fe4 I2 In2 O8 -","- C28 H20 Fe4 I2 In2 O8 -","- C112 H80 Fe16 I8 In8 O32 -","4","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0888","0.0465","","","0.0852","0.098","","","","","","1.031","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076133","14.9751","0.0013","15.533","0.0015","14.5233","0.0015","90","","90","","90","","3378.2","0.6","120","2","120","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H43 Fe Ga I3 N O2 -","- C28 H43 Fe Ga I3 N O2 -","- C112 H172 Fe4 Ga4 I12 N4 O8 -","4","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0423","0.0339","","","0.0662","0.0696","","","","","","1.021","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076134","11.835","0.0002","12.208","0.0002","29.206","0.0006","90","","90","","90","","4219.73","0.13","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","sa0410","","","- C15 H10 Br2 Fe2 Ga I O5 -","- C15 H10 Br2 Fe2 Ga I O5 -","- C120 H80 Br16 Fe16 Ga8 I8 O40 -","8","2","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.1203","0.0636","","","0.1528","0.1781","","","","","","1.017","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076135","9.3702","0.0002","12.7059","0.0003","23.7617","0.0006","90","","90","","90","","2828.99","0.11","150","2","150","2","","","","","","","","7","P m n b","-P 2bc 2a","62","sa0426","","","- C23 H33 Br3 Fe Ga N O2 -","- C23 H33 Br3 Fe Ga N O2 -","- C92 H132 Br12 Fe4 Ga4 N4 O8 -","4","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.1155","0.1044","","","0.2837","0.2922","","","","","","1.183","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076136","14.442","0.003","15.004","0.003","15.541","0.003","66.25","0.03","71.75","0.03","75.17","0.03","2894.5","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H42 B F24 Fe2 Ga O4 -","- C56 H42 B F24 Fe2 Ga O4 -","- C112 H84 B2 F48 Fe4 Ga2 O8 -","2","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Rossin, Andrea; Willock, David J.; Day, Joanna K.; Jones, Cameron; Ooi, Li-ling","Halide Abstraction as a Route to Cationic Transition-Metal Complexes Containing Two-Coordinate Gallium and Indium Ligand Systems","Organometallics","2005","24","24","5891","","10.1021/om0506318","","","0.71073","MoKα","","0.0599","0.0443","","","0.1038","0.1119","","","","","","1.019","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076137","14.5327","0.001","14.6439","0.001","16.2678","0.0013","65.829","0.003","68.927","0.003","74.823","0.003","2920.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","sa0507","","","- C56 H42 B F24 Fe2 In O4 -","- C56 H42 B F24 Fe2 In O4 -","- C112 H84 B2 F48 Fe4 In2 O8 -","2","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Rossin, Andrea; Willock, David J.; Day, Joanna K.; Jones, Cameron; Ooi, Li-ling","Halide Abstraction as a Route to Cationic Transition-Metal Complexes Containing Two-Coordinate Gallium and Indium Ligand Systems","Organometallics","2005","24","24","5891","","10.1021/om0506318","","","0.71073","MoKα","","0.1812","0.0944","","","0.1918","0.2314","","","","","","1.019","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076138","13.744","0.003","14.521","0.003","21.345","0.004","99.44","0.03","97.12","0.03","95.59","0.03","4139.6","1.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C82 H80 B Cl F24 Fe2 Ga2 O4 -","- C82 H80 B Cl F24 Fe2 Ga2 O4 -","- C164 H160 B2 Cl2 F48 Fe4 Ga4 O8 -","2","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Rossin, Andrea; Willock, David J.; Day, Joanna K.; Jones, Cameron; Ooi, Li-ling","Halide Abstraction as a Route to Cationic Transition-Metal Complexes Containing Two-Coordinate Gallium and Indium Ligand Systems","Organometallics","2005","24","24","5891","","10.1021/om0506318","","","0.71073","MoKα","","0.0807","0.0512","","","0.1059","0.1175","","","","","","1.023","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076139","16.054","0.0003","16.294","0.0003","24.252","0.0006","90","","90","","90","","6343.9","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","sa0502","","","- C60 H50 B F24 Fe2 In O5 -","- C60 H50 B F24 Fe2 In O5 -","- C240 H200 B4 F96 Fe8 In4 O20 -","4","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Rossin, Andrea; Willock, David J.; Day, Joanna K.; Jones, Cameron; Ooi, Li-ling","Halide Abstraction as a Route to Cationic Transition-Metal Complexes Containing Two-Coordinate Gallium and Indium Ligand Systems","Organometallics","2005","24","24","5891","","10.1021/om0506318","","","0.71073","MoKα","","0.1226","0.0821","","","0.1815","0.2068","","","","","","1.023","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076140","9.004","0.0018","10.345","0.002","14.201","0.003","72.53","0.03","88.51","0.03","77.85","0.03","1232.5","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 N3 P Pt -","- C26 H38 N3 P Pt -","- C52 H76 N6 P2 Pt2 -","2","1","","Poverenov, Elena; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","C-Metalated Diazoalkane Complexes of Platinum Based on PCP- and PCN-Type Ligands","Organometallics","2005","24","24","5937","","10.1021/om050637x","","","0.71073","MoKα","","0.0515","0.0439","","","0.0914","0.0938","","","","","","1.019","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076141","11.148","0.002","13.935","0.003","14.683","0.003","78.16","0.03","82.35","0.03","89.33","0.03","2212.3","0.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H35 Cl P2 Pt -","- C20 H35 Cl P2 Pt -","- C80 H140 Cl4 P8 Pt4 -","4","2","","Poverenov, Elena; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","C-Metalated Diazoalkane Complexes of Platinum Based on PCP- and PCN-Type Ligands","Organometallics","2005","24","24","5937","","10.1021/om050637x","","","0.71073","MoKα","","0.0508","0.0378","","","0.1041","0.1104","","","","","","1.043","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076142","11.812","0.005","14.33","0.03","10.703","0.005","90","","120.42","0.05","90","","1562","4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N4 Pd -","- C14 H22 N4 Pd -","- C56 H88 N16 Pd4 -","4","0.5","","de Pater, Jeroen J. M.; Tromp, D. S.; Tooke, Duncan M.; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard; Elsevier, Cornelis J.","Palladium(0)-Alkene Bis(triarylphosphine) Complexes as Catalyst Precursors for the Methoxycarbonylation of Styrene","Organometallics","2005","24","26","6411","","10.1021/om0506419","","","0.71073","MoKα","","0.0434","0.0325","","","0.072","0.0753","","","","","","1.104","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076143","15.4325","0.001","15.4098","0.001","19.5915","0.0013","90","","97.853","0.001","90","","4615.4","0.5","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C92 H100 B2 Cl8 F8 Ir2 O4 P4 Zr2 -","- C92 H96 B2 Cl8 F8 Ir2 O4 P4 Zr2 -","- C184 H192 B4 Cl16 F16 Ir4 O8 P8 Zr4 -","2","0.5","","Álvarez-Vergara, M. Carmen; Casado, Miguel A.; Martín, M. Luisa; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.","Flexible Building Blocks for Transition Metal Early−Late Chemistry. Synthesis of Heterobimetallic Tetranuclear Metallomacrocycles","Organometallics","2005","24","24","5929","","10.1021/om050644l","","","0.71073","MoKα","","0.0524","0.0425","","","0.1138","0.1178","","","","","","1.036","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076144","19.703","0.002","17.9741","0.0018","25.627","0.003","90","","110.236","0.002","90","","8515.5","1.6","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C88 H88 B2 Cl4 F8 O4 P4 Rh2 Zr2 -","- C88 H84 B2 Cl4 F8 O4 P4 Rh2 Zr2 -","- C352 H336 B8 Cl16 F32 O16 P16 Rh8 Zr8 -","4","1","","Álvarez-Vergara, M. Carmen; Casado, Miguel A.; Martín, M. Luisa; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.","Flexible Building Blocks for Transition Metal Early−Late Chemistry. Synthesis of Heterobimetallic Tetranuclear Metallomacrocycles","Organometallics","2005","24","24","5929","","10.1021/om050644l","","","0.71073","MoKα","","0.143","0.0963","","","0.2038","0.222","","","","","","1.147","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076145","7.4804","0.0013","7.7155","0.0013","13.743","0.003","85.591","0.012","88.926","0.015","80.568","0.018","780.1","0.3","162","2","162","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Cl2 Fe Hg2 O S -","- C12 H14 Cl2 Fe Hg2 O S -","- C24 H28 Cl4 Fe2 Hg4 O2 S2 -","2","1","","Venkatasubbaiah, Krishnan; Bats, Jan W.; Rheingold, Arnold L.; Jäkle, Frieder","Rational Synthesis and Complexation Behavior of the Bidentate Lewis Acid 1,2-Bis(chloromercury)ferrocene","Organometallics","2005","24","24","6043","","10.1021/om0506567","","","0.71073","MoKα","","0.0398","0.0295","","","0.0602","0.0631","","","","","","1.24","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076146","9.8089","0.0018","22.226","0.004","10.107","0.002","90","","99.354","0.019","90","","2174.2","0.7","161","2","161","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H52 Cl5 Fe2 Hg4 N -","- C36 H52 Cl5 Fe2 Hg4 N -","- C72 H104 Cl10 Fe4 Hg8 N2 -","2","1","","Venkatasubbaiah, Krishnan; Bats, Jan W.; Rheingold, Arnold L.; Jäkle, Frieder","Rational Synthesis and Complexation Behavior of the Bidentate Lewis Acid 1,2-Bis(chloromercury)ferrocene","Organometallics","2005","24","24","6043","","10.1021/om0506567","","","0.71073","MoKα","","0.0625","0.0483","","","0.0871","0.0923","","","","","","1.303","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4076147","10.1136","0.0013","22.411","0.003","21.073","0.003","90","","90.195","0.002","90","","4776.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H37 Cl8 Fe2 Hg4 P -","- C45 H37 Cl8 Fe2 Hg4 P -","- C180 H148 Cl32 Fe8 Hg16 P4 -","4","1","","Venkatasubbaiah, Krishnan; Bats, Jan W.; Rheingold, Arnold L.; Jäkle, Frieder","Rational Synthesis and Complexation Behavior of the Bidentate Lewis Acid 1,2-Bis(chloromercury)ferrocene","Organometallics","2005","24","24","6043","","10.1021/om0506567","","","0.71073","MoKα","","0.0607","0.0444","","","0.1029","0.1065","","","","","","1.055","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076148","27.357","0.0018","10.728","0.0007","18.6134","0.0012","90","","95.842","0.001","90","","5434.4","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H38 B9 N O Si Zr -","- C14 H38 B9 N O Si Zr -","- C112 H304 B72 N8 O8 Si8 Zr8 -","8","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Highly Electrophilic Half-Sandwich Group 4 Metallacarborane Alkyls. C−H/C−O Activation and Alkyne Insertion Reactions at Neutral Metal Complexes","Organometallics","2005","24","22","5217","","10.1021/om050658r","","","0.71073","MoKα","","0.085","0.0674","","","0.2041","0.2207","","","","","","1.106","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076149","27.5013","0.0015","10.6833","0.0006","18.5513","0.001","90","","96.034","0.001","90","","5420.3","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H38 B9 Hf N O Si -","- C14 H38 B9 Hf N O Si -","- C112 H304 B72 Hf8 N8 O8 Si8 -","8","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Highly Electrophilic Half-Sandwich Group 4 Metallacarborane Alkyls. C−H/C−O Activation and Alkyne Insertion Reactions at Neutral Metal Complexes","Organometallics","2005","24","22","5217","","10.1021/om050658r","","","0.71073","MoKα","","0.0749","0.0539","","","0.1537","0.1733","","","","","","1.215","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076150","9.6477","0.0004","12.7027","0.0005","24.763","0.0009","90","","98.534","0.001","90","","3001.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 B9 Hf N O -","- C24 H36 B9 Hf N O -","- C96 H144 B36 Hf4 N4 O4 -","4","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Highly Electrophilic Half-Sandwich Group 4 Metallacarborane Alkyls. C−H/C−O Activation and Alkyne Insertion Reactions at Neutral Metal Complexes","Organometallics","2005","24","22","5217","","10.1021/om050658r","","","0.71073","MoKα","","0.0634","0.0484","","","0.1608","0.1724","","","","","","1.128","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076151","9.841","0.0008","10.3306","0.0008","11.1206","0.0009","69.973","0.002","73.988","0.002","76.753","0.002","1009.57","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H56 B18 Cl4 N2 O4 Zr2 -","- C20 H56 B18 Cl4 N2 O4 Zr2 -","- C20 H56 B18 Cl4 N2 O4 Zr2 -","1","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Highly Electrophilic Half-Sandwich Group 4 Metallacarborane Alkyls. C−H/C−O Activation and Alkyne Insertion Reactions at Neutral Metal Complexes","Organometallics","2005","24","22","5217","","10.1021/om050658r","","","0.71073","MoKα","","0.0663","0.0499","","","0.1213","0.1353","","","","","","1.018","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076152","24.554","0.002","16.6859","0.0012","15.0022","0.0012","90","","100.265","0.003","90","","6048.1","0.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H56 Au3 Cl2 P3 -","- C70 H56 Au3 Cl2 P3 -","- C280 H224 Au12 Cl8 P12 -","4","1","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Jones, Peter G.","Gold(I) Complexes Derived from C6Me3(C⋮CH)3-1,3,5, C6Me4(C⋮CH)2-1,4, and MeC6H4C⋮CH-4§","Organometallics","2005","24","24","5956","","10.1021/om050665f","","","0.71073","MoKα","","0.0648","0.0343","","","0.0719","0.0806","","","","","","0.943","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076153","27.829","0.002","12.7529","0.0011","19.8249","0.0014","90","","133.93","0.004","90","","5067.1","0.8","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 Au N P2 -","- C66 H52 Au N P2 -","- C264 H208 Au4 N4 P8 -","4","0.5","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Jones, Peter G.","Gold(I) Complexes Derived from C6Me3(C⋮CH)3-1,3,5, C6Me4(C⋮CH)2-1,4, and MeC6H4C⋮CH-4§","Organometallics","2005","24","24","5956","","10.1021/om050665f","","","0.71073","MoKα","","0.0355","0.0264","","","0.0622","0.0645","","","","","","1.018","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076154","17.5277","0.0012","17.6004","0.0012","15.3303","0.0011","90","","115.354","0.004","90","","4273.8","0.5","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H44 Au N P2 -","- C54 H44 Au N P2 -","- C216 H176 Au4 N4 P8 -","4","0.5","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Jones, Peter G.","Gold(I) Complexes Derived from C6Me3(C⋮CH)3-1,3,5, C6Me4(C⋮CH)2-1,4, and MeC6H4C⋮CH-4§","Organometallics","2005","24","24","5956","","10.1021/om050665f","","","0.71073","MoKα","","0.0239","0.0194","","","0.0436","0.0446","","","","","","1.015","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076155","11.444","0.005","21.805","0.009","16.029","0.007","90","","91.686","0.007","90","","3998","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 Cl2 F6 O8 P2 Pd S2 -","- C31 H34 Cl2 F6 O8 P2 Pd S2 -","- C124 H136 Cl8 F24 O32 P8 Pd4 S8 -","4","1","","Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei","Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2","Organometallics","2005","24","26","6464","","10.1021/om050668s","","","0.71073","MoKα","","0.0528","0.0383","","","0.0821","0.0907","","","","","","1.052","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076156","11.515","0.005","21.608","0.009","16.205","0.007","90","","93.602","0.006","90","","4024","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 Cl3 F6 O8 P2 Pt S2 -","- C31 H33 Cl3 F6 O8 P2 Pt S2 -","- C124 H132 Cl12 F24 O32 P8 Pt4 S8 -","4","1","","Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei","Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2","Organometallics","2005","24","26","6464","","10.1021/om050668s","","","0.71073","MoKα","","0.0662","0.0456","","","0.1158","0.1233","","","","","","1.063","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076157","13.871","0.005","16.717","0.006","18.592","0.006","113.802","0.005","102.796","0.006","96.69","0.006","3743","2","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C102 H78 Cl18 Co4 F12 N4 O24 P4 Pd2 S4 -","- C102 H78 Cl18 Co4 F12 N4 O24 P4 Pd2 S4 -","- C102 H78 Cl18 Co4 F12 N4 O24 P4 Pd2 S4 -","1","0.5","","Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei","Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2","Organometallics","2005","24","26","6464","","10.1021/om050668s","","","0.71073","MoKα","","0.1427","0.0672","","","0.1069","0.1203","","","","","","0.811","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076158","13.813","0.006","16.65","0.007","18.558","0.008","113.828","0.006","102.927","0.007","96.944","0.007","3697","3","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C102 H78 Cl18 Co4 F12 N4 O24 P4 Pt2 S4 -","- C102 H78 Cl18 Co4 F12 N4 O24 P4 Pt2 S4 -","- C102 H78 Cl18 Co4 F12 N4 O24 P4 Pt2 S4 -","1","0.5","","Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei","Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2","Organometallics","2005","24","26","6464","","10.1021/om050668s","","","0.71073","MoKα","","0.1103","0.0629","","","0.1071","0.1156","","","","","","0.876","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076159","13.947","0.004","17.222","0.005","18.691","0.005","113.761","0.004","102.74","0.004","97.57","0.004","3883.5","1.9","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C104 H80 As4 Cl24 Co4 F12 N4 O24 Pd2 S4 -","- C104 H80 As4 Cl24 Co4 F12 N4 O24 Pd2 S4 -","- C104 H80 As4 Cl24 Co4 F12 N4 O24 Pd2 S4 -","1","0.5","","Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei","Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2","Organometallics","2005","24","26","6464","","10.1021/om050668s","","","0.71073","MoKα","","0.165","0.0724","","","0.1927","0.2508","","","","","","0.996","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076160","13.927","0.005","16.983","0.006","18.688","0.007","113.92","0.006","102.869","0.006","97.178","0.007","3822","2","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C104 H80 As4 Cl24 Co4 F12 N4 O24 Pt2 S4 -","- C104 H80 As4 Cl24 Co4 F12 N4 O24 Pt2 S4 -","- C104 H80 As4 Cl24 Co4 F12 N4 O24 Pt2 S4 -","1","0.5","","Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei","Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2","Organometallics","2005","24","26","6464","","10.1021/om050668s","","","0.71073","MoKα","","0.1285","0.0611","","","0.1445","0.1815","","","","","","0.969","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076161","8.733","0.001","18.407","0.004","18.103","0.004","90","","93.03","0.01","90","","2906","1","213.2","","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 F6 N O2 P Ru -","- C30 H36 F6 N O2 P Ru -","- C120 H144 F24 N4 O8 P4 Ru4 -","4","1","","Moriuchi, Akihiro; Uchida, Kazunori; Inagaki, Akiko; Akita, Munetaka","Photochromic Behavior and Diastereomeric Isomerism in [(η6-spirobenzopyran)RuCp*]PF6","Organometallics","2005","24","26","6382","","10.1021/om0506771","","","0.7107","MoKα","","","0.0474","","","","0.1349","","","","","","0.77","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076162","8.768","0.002","18.767","0.004","17.462","0.003","90","","93.71","0.01","90","","2867.3","1","213.2","","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 F6 N2 O3 P Ru -","- C29 H33 F6 N2 O3 P Ru -","- C116 H132 F24 N8 O12 P4 Ru4 -","4","1","","Moriuchi, Akihiro; Uchida, Kazunori; Inagaki, Akiko; Akita, Munetaka","Photochromic Behavior and Diastereomeric Isomerism in [(η6-spirobenzopyran)RuCp*]PF6","Organometallics","2005","24","26","6382","","10.1021/om0506771","","","0.7107","MoKα","","","0.0881","","","","0.2267","","","","","","1.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076163","20.34","0.01","8.751","0.006","17.114","0.008","90","","86.84","0.03","90","","3042","3","213.2","","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 F6 N O1.5 P Ru -","- C31 H25 F6 N O1.5 P Ru -","- C124 H100 F24 N4 O6 P4 Ru4 -","4","1","","Moriuchi, Akihiro; Uchida, Kazunori; Inagaki, Akiko; Akita, Munetaka","Photochromic Behavior and Diastereomeric Isomerism in [(η6-spirobenzopyran)RuCp*]PF6","Organometallics","2005","24","26","6382","","10.1021/om0506771","","","0.7107","MoKα","","","0.096","","","","0.2641","","","","","","1.468","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076164","8.009","0.0002","22.4905","0.0006","31.5481","0.0009","90","","90","","90","","5682.6","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 Mg N4 O10 -","- C62 H78 Mg N4 O10 -","- C248 H312 Mg4 N16 O40 -","4","1","","Layfield, Richard A.; Humphrey, Simon M.","Synthesis and Structure of [trans-{1,2-Bis(κ2-O,O-N- phenylcarbamoyl)cyclopentadienylbis(thf)}magnesium]·4thf","Organometallics","2005","24","24","6063","","10.1021/om050680k","","","0.71073","MoKα","","0.175","0.0778","","","0.1191","0.1408","","","","","","0.941","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076165","17.4129","0.0004","21.1733","0.0005","26.7744","0.0006","90","","90","","90","","9871.4","0.4","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C53 H81 Al N6 O -","- C53 H81 Al N6 O -","- C424 H648 Al8 N48 O8 -","8","1","","Zhu, Hongping; Yang, Zhi; Magull, Jörg; Roesky, Herbert W.; Schmidt, Hans-Georg; Noltemeyer, Mathias","Syntheses and Structural Characterization of a LAl(N3)N[μ-Si(N3)(tBu)]2NAl(N3)L and a Monomeric Aluminum Hydride Amide LAlH(NHAr) (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2005","24","26","6420","","10.1021/om050698v","","","0.71073","MoKα","","0.0586","0.0418","","","0.1057","0.1124","","","","","","1.036","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076166","14.476","0.003","22.773","0.005","18.766","0.004","90","","93.2","0.03","90","","6177","2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H79 Al N6 Si2 -","- C72 H79 Al N6 Si2 -","- C288 H316 Al4 N24 Si8 -","4","1","","Zhu, Hongping; Yang, Zhi; Magull, Jörg; Roesky, Herbert W.; Schmidt, Hans-Georg; Noltemeyer, Mathias","Syntheses and Structural Characterization of a LAl(N3)N[μ-Si(N3)(tBu)]2NAl(N3)L and a Monomeric Aluminum Hydride Amide LAlH(NHAr) (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2005","24","26","6420","","10.1021/om050698v","","","0.71073","MoKα","","0.0608","0.048","","","0.1183","0.1258","","","","","","1.025","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076167","12.9225","0.0006","16.5684","0.0008","19.7508","0.0009","102.657","0.004","99.836","0.004","99.243","0.004","3978.1","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H108 Al2 N18 Si2 -","- C73 H108 Al2 N18 Si2 -","- C146 H216 Al4 N36 Si4 -","2","1","","Zhu, Hongping; Yang, Zhi; Magull, Jörg; Roesky, Herbert W.; Schmidt, Hans-Georg; Noltemeyer, Mathias","Syntheses and Structural Characterization of a LAl(N3)N[μ-Si(N3)(tBu)]2NAl(N3)L and a Monomeric Aluminum Hydride Amide LAlH(NHAr) (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2005","24","26","6420","","10.1021/om050698v","","","0.71073","MoKα","","0.0837","0.0629","","","0.177","0.1925","","","","","","1.082","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076168","10.071","0.002","11.63","0.002","19.851","0.004","91.56","0.03","90.86","0.03","110.81","0.03","2171.8","0.8","200","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H68 Al N3 -","- C48 H68 Al N3 -","- C96 H136 Al2 N6 -","2","1","","Zhu, Hongping; Yang, Zhi; Magull, Jörg; Roesky, Herbert W.; Schmidt, Hans-Georg; Noltemeyer, Mathias","Syntheses and Structural Characterization of a LAl(N3)N[μ-Si(N3)(tBu)]2NAl(N3)L and a Monomeric Aluminum Hydride Amide LAlH(NHAr) (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2005","24","26","6420","","10.1021/om050698v","","","0.71073","MoKα","","0.0615","0.0495","","","0.1318","0.1464","","","","","","1.015","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076169","8.594","0.01","15.904","0.019","23.14","0.03","90","","99.04","0.02","90","","3123","7","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 Cl Cr N3 -","- C39 H31 Cl Cr N3 -","- C156 H124 Cl4 Cr4 N12 -","4","1","","Crewdson, Patrick; Gambarotta, Sandro; Djoman, Marie-Charlotte; Korobkov, Ilia; Duchateau, Robbert","Switchable Chromium(II) Ethylene Oligomerization/Polymerization Catalyst","Organometallics","2005","24","22","5214","","10.1021/om050699n","","","0.71073","MoKα","","0.1352","0.0592","","","0.1055","0.1233","","","","","","1.054","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076170","18.08","0.004","17.14","0.004","16.732","0.004","90","","90","","90","","5185","2","211","2","211","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C54.5 H52 Cr N5 O1.38 -","- C49 H41 Cr N5 -","- C196 H164 Cr4 N20 -","4","0.5","","Crewdson, Patrick; Gambarotta, Sandro; Djoman, Marie-Charlotte; Korobkov, Ilia; Duchateau, Robbert","Switchable Chromium(II) Ethylene Oligomerization/Polymerization Catalyst","Organometallics","2005","24","22","5214","","10.1021/om050699n","","","0.71073","MoKα","","0.0583","0.0518","","","0.1185","0.1223","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076171","18.88","0.1","22.13","0.12","11.15","0.06","90","","90","","90","","4659","4","211","2","211","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C51 H55 Cl Cr Li N3 O3 -","- C51 H56 Cl Cr Li N3 O4 -","- C204 H224 Cl4 Cr4 Li4 N12 O16 -","4","0.5","","Crewdson, Patrick; Gambarotta, Sandro; Djoman, Marie-Charlotte; Korobkov, Ilia; Duchateau, Robbert","Switchable Chromium(II) Ethylene Oligomerization/Polymerization Catalyst","Organometallics","2005","24","22","5214","","10.1021/om050699n","","","0.71073","MoKα","","0.1026","0.0633","","","0.1279","0.1428","","","","","","1.039","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076172","14.7669","0.0005","6.7673","0.0002","12.9333","0.0004","90","","106.888","0.002","90","","1236.71","0.07","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H16 N O3 -","- C52 H64 N4 O12 -","4","1","","Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.","Influence of Halide Ion and Lewis Acid in the Demetalation of a Spirolactam Cyclohexadienyl Ruthenium Complex","Organometallics","2005","24","22","5424","","10.1021/om050701a","","","0.71073","MoKα","","0.14","0.1198","","","0.2871","0.3008","","","","","","1.219","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076173","8.899","0.003","17.9","0.005","11.32","0.004","90","","91.76","0.03","90","","1802.3","1","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Cl2 O4 Ru S4 -","- C8 H24 Cl2 O4 Ru S4 -","- C32 H96 Cl8 O16 Ru4 S16 -","4","1","","Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.","Influence of Halide Ion and Lewis Acid in the Demetalation of a Spirolactam Cyclohexadienyl Ruthenium Complex","Organometallics","2005","24","22","5424","","10.1021/om050701a","","","0.71073","MoKα","","0.057","0.047","","","0.1508","0.1726","","","","","","1.151","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076174","14.573","0.0006","6.488","0.0002","15.0405","0.0005","90","","118.336","0.002","90","","1251.68","0.08","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.","Influence of Halide Ion and Lewis Acid in the Demetalation of a Spirolactam Cyclohexadienyl Ruthenium Complex","Organometallics","2005","24","22","5424","","10.1021/om050701a","","","0.71073","MoKα","","0.0849","0.0466","","","0.1253","0.1417","","","","","","1.001","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076175","12.8409","0.0002","12.3144","0.0002","11.4854","0.0002","90","","112.367","0.001","90","","1679.52","0.05","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O3 Ru -","- C19 H23 N O3 Ru -","- C76 H92 N4 O12 Ru4 -","4","1","","Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.","Influence of Halide Ion and Lewis Acid in the Demetalation of a Spirolactam Cyclohexadienyl Ruthenium Complex","Organometallics","2005","24","22","5424","","10.1021/om050701a","","","0.71073","MoKα","","0.0402","0.0272","","","0.0607","0.0676","","","","","","1.048","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076176","14.631","0.002","14.429","0.002","17.559","0.002","90","","102.354","0.002","90","","3621.1","0.8","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H50 B Lu -","- C45.5 H46 B Lu -","- C182 H184 B4 Lu4 -","4","1","","Evans, William J.; Lee, David S.; Johnston, Matthew A.; Ziller, Joseph W.","The Elusive (C5Me4H)3Lu: Its Synthesis and LnZ3/K/N2Reactivity","Organometallics","2005","24","26","6393","","10.1021/om050709k","","","0.71073","MoKα","","0.025","0.0192","","","0.048","0.0511","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076177","15.123","0.005","13.951","0.005","25.662","0.008","90","","105.263","0.005","90","","5223","3","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H84 Lu2 N2 O2 -","- C58 H82 Lu2 N2 O2 -","- C232 H328 Lu8 N8 O8 -","4","0.5","","Evans, William J.; Lee, David S.; Johnston, Matthew A.; Ziller, Joseph W.","The Elusive (C5Me4H)3Lu: Its Synthesis and LnZ3/K/N2Reactivity","Organometallics","2005","24","26","6393","","10.1021/om050709k","","","0.71073","MoKα","","0.0491","0.0439","","","0.1326","0.1362","","","","","","1.094","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076178","15.4695","0.0008","15.4695","0.0008","16.6565","0.0012","90","","90","","120","","3452","0.4","158","2","158","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H39 Lu -","- C27 H39 Lu -","- C162 H234 Lu6 -","6","0.333333","","Evans, William J.; Lee, David S.; Johnston, Matthew A.; Ziller, Joseph W.","The Elusive (C5Me4H)3Lu: Its Synthesis and LnZ3/K/N2Reactivity","Organometallics","2005","24","26","6393","","10.1021/om050709k","","","0.71073","MoKα","","0.0253","0.0244","","","0.0644","0.065","","","","","","1.221","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076179","10.01","0.006","11.712","0.008","12.614","0.008","76.691","0.013","87.738","0.011","87.513","0.013","1437.1","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 Mn O4 -","- C15 H17 Mn O4 -","- C60 H68 Mn4 O16 -","4","2","","Cao, Lidong; Shen, Meihua; Li, Chaozhong","Indium-Mediated Alkyl Radical Addition to (η6-Arene)tricarbonylmanganese Complexes in Aqueous Media","Organometallics","2005","24","24","5983","","10.1021/om050721c","","","0.71073","MoKα","","0.1075","0.0523","","","0.0926","0.1134","","","","","","1.032","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076180","21.0382","0.001","9.7005","0.0005","9.9477","0.0005","90","","90","","90","","2030.14","0.18","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C21 H26 Ag Cl N2 -","- C21 H26 Ag Cl N2 -","- C84 H104 Ag4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0111","0.0111","","","0.0296","0.0297","","","","","","1.078","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4076181","9.7788","0.0015","16.334","0.003","21.755","0.003","90","","101.986","0.004","90","","3399.1","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Ag Cl5 N2 -","- C29 H42 Ag Cl5 N2 -","- C116 H168 Ag4 Cl20 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.1006","0.0868","","","0.2239","0.2279","","","","","","0.983","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4076182","8.1431","0.0002","8.1431","0.0002","20.545","0.0008","90","","90","","90","","1362.34","0.07","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C11 H18 Ag Cl N2 -","- C11 H18 Ag Cl N2 -","- C44 H72 Ag4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0145","0.0144","","","0.0453","0.0453","","","","","","1.393","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076183","10.5104","0.0004","16.0633","0.0006","11.292","0.0004","90","","100.564","0.001","90","","1874.13","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Ag Cl N2 -","- C7 H12 Ag Cl N2 -","- C56 H96 Ag8 Cl8 N16 -","8","2","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0144","0.0142","","","0.0388","0.0389","","","","","","1.162","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076184","9.3033","0.0006","17.3304","0.0011","20.6786","0.0013","93.687","0.001","92.579","0.001","99.682","0.001","3274.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 Ag Cl N2 -","- C15 H24 Ag Cl N2 -","- C120 H192 Ag8 Cl8 N16 -","8","4","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0376","0.0319","","","0.0737","0.0756","","","","","","1.102","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076185","11.5347","0.0015","26.847","0.004","6.4849","0.0009","90","","90","","90","","2008.2","0.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H32 Ag Cl N2 -","- C23 H32 Ag Cl N2 -","- C92 H128 Ag4 Cl4 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0261","0.026","","","0.0657","0.0657","","","","","","1.177","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076186","19.1151","0.0012","17.1519","0.0011","17.3503","0.0011","90","","97.118","0.001","90","","5644.6","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 Ag Cl N2 -","- C11 H20 Ag Cl N2 -","- C176 H320 Ag16 Cl16 N32 -","16","4","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.1017","0.0879","","","0.1866","0.1904","","","","","","1.209","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076187","16.1296","0.0006","13.0986","0.0005","16.5205","0.0006","90","","116.799","0.001","90","","3115.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Ag Cl3 N2 -","- C28 H50 Ag Cl3 N2 -","- C112 H200 Ag4 Cl12 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0285","0.0264","","","0.06","0.0608","","","","","","1.04","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076188","7.305","0.0003","11.0525","0.0004","11.3905","0.0005","75.366","0.001","81.821","0.001","85.879","0.001","880.15","0.06","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C8.25 H8.25 Ag0.75 Cl0.75 N2.25 -","- C8.25 H8.25 Ag0.75 Cl0.75 N2.25 -","- C33 H33 Ag3 Cl3 N9 -","4","4","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0144","0.0143","","","0.036","0.0361","","","","","","1.025","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076189","17.0221","0.0011","14.0448","0.0009","17.2731","0.0011","90","","90","","90","","4129.5","0.5","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H24 Ag Cl N2 -","- C21 H24 Ag Cl N2 -","- C168 H192 Ag8 Cl8 N16 -","8","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71069","MoKα","","0.0547","0.0403","","","0.1217","0.1334","","","","","","1.032","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076190","11.8323","0.0007","14.6993","0.0008","15.6755","0.0009","65.531","0.001","69.436","0.001","70.804","0.001","2269","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Ag3 I3 N4 -","- C42 H48 Ag3 I3 N4 -","- C84 H96 Ag6 I6 N8 -","2","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71069","MoKα","","0.0774","0.0472","","","0.1257","0.1418","","","","","","1.029","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076191","9.794","0.001","16.2939","0.0016","10.968","0.0011","90","","103.488","0.002","90","","1702","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28.86 H39.74 Ag Cl4.74 N2 -","- C28.857 H39.714 Ag Cl4.714 N2 -","- C57.714 H79.428 Ag2 Cl9.428 N4 -","2","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0544","0.0519","","","0.1295","0.1312","","","","","","1.075","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076192","11.169","","7.178","","28.218","","90","","90.36","","90","","2262.22","","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N3 O6 Pd -","- C21 H29 N3 O6 Pd -","- C84 H116 N12 O24 Pd4 -","4","2","","Kazi, Abul B.; Jones, Gavin D.; Vicic, David A.","Observed Instability of Bound Pybox Ligands towards Acetate Counterions","Organometallics","2005","24","24","6051","","10.1021/om050755k","","","0.7107","MoKα","","0.0811","0.0588","","","0.138","0.1659","","","","","","1.109","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076193","9.601","0.013","10.549","0.014","25.4","0.07","90","","90","","90","","2573","9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N3 O6 Pd -","- C27 H25 N3 O6 Pd -","- C108 H100 N12 O24 Pd4 -","4","1","","Kazi, Abul B.; Jones, Gavin D.; Vicic, David A.","Observed Instability of Bound Pybox Ligands towards Acetate Counterions","Organometallics","2005","24","24","6051","","10.1021/om050755k","","","0.7107","MoKα","","0.1111","0.0814","","","0.1925","0.219","","","","","","1.162","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076194","8.0867","0.0008","27.518","0.003","9.3624","0.001","90","","94.033","0.002","90","","2078.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 Cl N2 O Ti -","- C18 H33 Cl N2 O Ti -","- C72 H132 Cl4 N8 O4 Ti4 -","4","1","","Kissounko, Denis A.; Guzei, Ilia A.; Gellman, Samuel H.; Stahl, Shannon S.","Titanium(IV)-Mediated Conversion of Carboxamides to Amidines and Implications for Catalytic Transamidation","Organometallics","2005","24","22","5208","","10.1021/om050768y","","","0.71073","MoKα","","0.0566","0.0379","","","0.0948","0.1055","","","","","","1.021","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076195","8.9874","0.0009","11.7443","0.0009","19.1979","0.0014","71.116","0.002","86.828","0.003","89.553","0.002","1914.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H53 Cl3 O3 Ti3 -","- C37 H53 Cl3 O3 Ti3 -","- C74 H106 Cl6 O6 Ti6 -","2","1","","Kissounko, Denis A.; Guzei, Ilia A.; Gellman, Samuel H.; Stahl, Shannon S.","Titanium(IV)-Mediated Conversion of Carboxamides to Amidines and Implications for Catalytic Transamidation","Organometallics","2005","24","22","5208","","10.1021/om050768y","","","0.71073","MoKα","","0.0538","0.042","","","0.1097","0.115","","","","","","1.04","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076196","7.9562","0.0016","8.0644","0.0016","20.959","0.004","80.86","0.003","88.888","0.003","83.757","0.003","1319.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H37 Cl N2 O2 Ti -","- C26 H31 Cl N2 O2 Ti -","- C52 H62 Cl2 N4 O4 Ti2 -","2","1","","Kissounko, Denis A.; Guzei, Ilia A.; Gellman, Samuel H.; Stahl, Shannon S.","Titanium(IV)-Mediated Conversion of Carboxamides to Amidines and Implications for Catalytic Transamidation","Organometallics","2005","24","22","5208","","10.1021/om050768y","","","0.71073","MoKα","","0.0862","0.0565","","","0.1321","0.1408","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076197","13.69","0.003","13.43","0.003","9.612","0.0019","90","","93.91","0.03","90","","1763.1","0.7","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C5.5 H9 B0.5 Cl N2 S Sn0.5 -","- C5.5 H9 B0.5 Cl N2 S Sn0.5 -","- C44 H72 B4 Cl8 N16 S8 Sn4 -","8","1","","Foreman, Mark R. St.-J.; Hill, Anthony F.; Smith, Matthew K.; Tshabang, Never","Novel Heterobimetallic Coordination of the H2B(mt)2Ligand: The Complex [Mo(SnMe2Cl)(CO)3{μ-S:κ3-H,S,S‘-H2B(mt)2}] (mt = methimazolyl)","Organometallics","2005","24","22","5224","","10.1021/om050778z","","","0.71073","MoKα","","0.0478","0.0385","","","0.0968","0.1028","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076198","9.66","0.0019","21.43","0.004","10.21","0.002","90","","96.6","0.03","90","","2099.6","0.7","200","2","200","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 B Cl Mo N4 O3 S2 Sn -","- C13 H18 B Cl Mo N4 O3 S2 Sn -","- C52 H72 B4 Cl4 Mo4 N16 O12 S8 Sn4 -","4","1","","Foreman, Mark R. St.-J.; Hill, Anthony F.; Smith, Matthew K.; Tshabang, Never","Novel Heterobimetallic Coordination of the H2B(mt)2Ligand: The Complex [Mo(SnMe2Cl)(CO)3{μ-S:κ3-H,S,S‘-H2B(mt)2}] (mt = methimazolyl)","Organometallics","2005","24","22","5224","","10.1021/om050778z","","","0.71073","MoKα","","0.0715","0.0422","","","0.0919","0.1054","","","","","","1.074","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076199","12.6741","0.0019","17.383","0.003","24.089","0.004","90","","97.102","0.003","90","","5266.4","1.5","211","2","211","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C102 H160 Fe2 Li2 N6 O8.5 -","- C102 H160 Fe2 Li2 N6 O8.5 -","- C204 H320 Fe4 Li4 N12 O17 -","2","1","","Scott, Jennifer; Gambarotta, Sandro; Korobkov, Ilia; Budzelaar, Peter H. M.","Reduction of (Diiminopyridine)iron: Evidence for a Noncationic Polymerization Pathway?","Organometallics","2005","24","26","6298","","10.1021/om0507833","","","0.71073","MoKα","","0.0803","0.0665","","","0.1626","0.1713","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076200","14.134","0.003","12.333","0.003","16.645","0.003","90","","95.55","0.03","90","","2887.9","1.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H14 B F15 Ti -","- C32 H14 B F15 Ti -","- C128 H56 B4 F60 Ti4 -","4","1","","Bach, Marc A.; Beweries, Torsten; Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe; Bonrath, Werner","Reactions of 1-Titana- and 1-Zirconacyclopent-3-ynes with Tris(pentafluorophenyl)borane†","Organometallics","2005","24","24","5916","","10.1021/om0507880","","","0.71073","MoKα","","0.0895","0.0398","","","0.0711","0.0804","","","","","","0.817","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076201","11.918","0.002","16.028","0.003","18.801","0.004","90","","94.04","0.03","90","","3582.5","1.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 B F15 Zr -","- C42 H28 B F15 Zr -","- C168 H112 B4 F60 Zr4 -","4","1","","Bach, Marc A.; Beweries, Torsten; Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe; Bonrath, Werner","Reactions of 1-Titana- and 1-Zirconacyclopent-3-ynes with Tris(pentafluorophenyl)borane†","Organometallics","2005","24","24","5916","","10.1021/om0507880","","","0.71073","MoKα","","0.045","0.031","","","0.0723","0.0772","","","","","","0.945","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076202","11.023","0.0008","11.207","0.001","12.7551","0.0008","72.3808","0.0007","67.497","0.005","81.613","0.001","1386.63","0.19","150.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H31.5 N O4 P Ru -","- C30.5 H31.5 N O4 P Ru -","- C61 H63 N2 O8 P2 Ru2 -","2","1","","Oshiki, Toshiyuki; Yamashita, Hitoshi; Sawada, Kensuke; Utsunomiya, Masaru; Takahashi, Kazunari; Takai, Kazuhiko","Dramatic Rate Acceleration by a Diphenyl-2-pyridylphosphine Ligand in the Hydration of Nitriles Catalyzed by Ru(acac)2Complexes","Organometallics","2005","24","26","6287","","10.1021/om050792b","","","0.7107","MoKα","","","0.0358","","","","0.0893","","","","","","1.691","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076203","10.224","0.001","10.799","0.002","17.946","0.003","75.998","0.01","88.433","0.01","81.196","0.006","1899.8","0.5","150.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 N2 O4 P2 Ru -","- C44 H42 N2 O4 P2 Ru -","- C88 H84 N4 O8 P4 Ru2 -","2","1","","Oshiki, Toshiyuki; Yamashita, Hitoshi; Sawada, Kensuke; Utsunomiya, Masaru; Takahashi, Kazunari; Takai, Kazuhiko","Dramatic Rate Acceleration by a Diphenyl-2-pyridylphosphine Ligand in the Hydration of Nitriles Catalyzed by Ru(acac)2Complexes","Organometallics","2005","24","26","6287","","10.1021/om050792b","","","0.7107","MoKα","","","0.034","","","","0.1095","","","","","","1.723","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076204","13.461","0.003","18.11","0.004","33.907","0.007","90","","95","0.03","90","","8234","3","200","2","200","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C84 H69 B2 Cl N12 O6 P2 Ru W2 -","- C84 H69 B2 Cl N12 O6 P2 Ru W2 -","- C336 H276 B8 Cl4 N48 O24 P8 Ru4 W8 -","4","1","","Dewhurst, Rian D.; Hill, Anthony F.; Smith, Matthew K.","Regioselective Dimetallapolycarbyl Hydrometalation","Organometallics","2005","24","26","6295","","10.1021/om050796g","","","0.71073","MoKα","","0.044","0.0279","","","0.0604","0.0671","","","","","","0.986","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076205","10.01","0.002","13.52","0.003","15.669","0.003","100.96","0.03","93.85","0.03","106.4","0.03","1980.7","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 O2 P2 Ru -","- C48 H38 O2 P2 Ru -","- C96 H76 O4 P4 Ru2 -","2","1","","Bartlett, Michael J.; Hill, Anthony F.; Smith, Matthew K.","A Bimetallic Complex Spanned by the C4H Ligand: Synthesis of [Cl(CO)2L2RuC⋮CCHCRuL2(η-C5H5)]PF6(L = PPh3)","Organometallics","2005","24","24","5795","","10.1021/om050800o","","","0.71073","MoKα","","0.0755","0.0448","","","0.1053","0.1223","","","","","","0.983","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076206","13.189","0.003","25.805","0.005","24.164","0.005","90","","90.13","0.03","90","","8224","3","173","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H83 Cl O2 P4 Ru2 -","- C101 H83 Cl O2 P4 Ru2 -","- C404 H332 Cl4 O8 P16 Ru8 -","4","1","","Bartlett, Michael J.; Hill, Anthony F.; Smith, Matthew K.","A Bimetallic Complex Spanned by the C4H Ligand: Synthesis of [Cl(CO)2L2RuC⋮CCHCRuL2(η-C5H5)]PF6(L = PPh3)","Organometallics","2005","24","24","5795","","10.1021/om050800o","","","0.71073","MoKα","","0.1045","0.0637","","","0.1313","0.1509","","","","","","1.065","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076207","12.196","0.0016","12.8102","0.0017","18.322","0.002","87.708","0.002","82.98","0.002","88.746","0.002","2838.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H50 B F24 O Os P -","- C56 H50 B F24 O Os P -","- C112 H100 B2 F48 O2 Os2 P2 -","2","1","","Esteruelas, Miguel A.; Hernández, Yohar A.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique","Reduction and C(sp2)−H Bond Activation of Ketones Promoted by a Cyclopentadienyl-Osmium- Dihydride-Dihydrogen Complex","Organometallics","2005","24","24","5989","","10.1021/om0508177","","","0.71073","MoKα","","0.0383","0.0347","","","0.0815","0.0832","","","","","","1.144","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076208","9.295","0.0006","9.3678","0.0006","11.035","0.0008","81.697","0.001","77.126","0.001","81.055","0.001","919.28","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H31 O Os P -","- C18 H31 O Os P -","- C36 H62 O2 Os2 P2 -","2","1","","Esteruelas, Miguel A.; Hernández, Yohar A.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique","Reduction and C(sp2)−H Bond Activation of Ketones Promoted by a Cyclopentadienyl-Osmium- Dihydride-Dihydrogen Complex","Organometallics","2005","24","24","5989","","10.1021/om0508177","","","0.71073","MoKα","","0.0253","0.0222","","","0.0437","0.0445","","","","","","0.99","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076209","8.9899","0.0008","11.2125","0.001","11.9126","0.0011","78.686","0.002","82.282","0.001","78.124","0.001","1146.71","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 B F4 O Os P -","- C22 H34 B F4 O Os P -","- C44 H68 B2 F8 O2 Os2 P2 -","2","1","","Esteruelas, Miguel A.; Hernández, Yohar A.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique","Reduction and C(sp2)−H Bond Activation of Ketones Promoted by a Cyclopentadienyl-Osmium- Dihydride-Dihydrogen Complex","Organometallics","2005","24","24","5989","","10.1021/om0508177","","","0.71073","MoKα","","0.0428","0.0333","","","0.0532","0.0552","","","","","","0.893","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076210","14.617","0.002","14.617","0.002","11.024","0.002","90","","90","","120","","2039.8","0.5","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C18 H48 Si4 Sn -","- C18 H48 Si4 Sn -","- C54 H144 Si12 Sn3 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0168","0.0161","","","0.037","0.0371","","","","","","1.044","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076211","20.353","0.004","9.826","0.002","18.581","0.004","90","","113.82","0.03","90","","3399.5","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H60 Si4 Sn -","- C24 H60 Si4 Sn -","- C96 H240 Si16 Sn4 -","4","0.5","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0728","0.0605","","","0.1601","0.169","","","","","","1.048","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076212","14.714","0.002","14.714","0.002","10.906","0.002","90","","90","","120","","2044.8","0.5","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C18 H48 Ge Si4 -","- C18 H48 Ge Si4 -","- C54 H144 Ge3 Si12 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0371","0.0343","","","0.0766","0.0778","","","","","","1.023","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076213","16.149","0.002","16.149","0.002","22.881","0.005","90","","90","","120","","5167.7","1.4","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H54 Ge Si7 -","- C18 H54 Ge0.994 Si7.006 -","- C108 H324 Ge5.964 Si42.036 -","6","0.166667","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0372","0.0317","","","0.0851","0.0883","","","","","","1.134","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076214","16.222","0.002","16.222","0.002","23.099","0.005","90","","90","","120","","5264.2","1.5","233","2","233","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H54 Si7 Sn -","- C18 H54 Si7 Sn -","- C108 H324 Si42 Sn6 -","6","0.166667","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0402","0.0333","","","0.1006","0.1039","","","","","","1.113","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076215","16.176","0.002","16.176","0.002","22.921","0.005","90","","90","","120","","5194.1","1.5","253","2","253","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H54 Ge2 Si6 -","- C18 H54 Ge2 Si6 -","- C108 H324 Ge12 Si36 -","6","0.166667","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0336","0.0222","","","0.054","0.0557","","","","","","0.902","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076216","16.29","0.002","16.29","0.002","11.578","0.002","90","","90","","120","","2660.8","0.7","253","2","253","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C18 H54 Si6 Sn2 -","- C18 H54 Si6 Sn2 -","- C54 H162 Si18 Sn6 -","3","0.166667","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0356","0.0345","","","0.0934","0.0939","","","","","","1.166","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076217","14.663","0.004","14.663","0.004","10.99","0.007","90","","90","","120","","2046.3","1.5","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C18 H48 Si4 Sn -","- C18 H48 Si4 Sn -","- C54 H144 Si12 Sn3 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.05","0.049","","","0.1105","0.1108","","","","","","1.05","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076218","14.701","0.002","14.701","0.002","11.021","0.002","90","","90","","120","","2062.7","0.5","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H48 Ge Si3 Sn -","- C18 H48 Ge Si3 Sn -","- C54 H144 Ge3 Si9 Sn3 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0154","0.0152","","","0.0367","0.0368","","","","","","0.893","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076219","16.257","0.002","16.257","0.002","11.58","0.002","90","","90","","120","","2650.5","0.6","233","2","233","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H54 Ge Si6 Sn -","- C18 H54 Ge Si6 Sn -","- C54 H162 Ge3 Si18 Sn3 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0342","0.0265","","","0.0558","0.0576","","","","","","1.013","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076220","11.3248","0.0009","12.7779","0.001","13.6968","0.001","105.76","0.002","104.201","0.002","101.926","0.002","1768.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H106 B20 Er2 N2 Na2 O8 -","- C44 H106 B20 Er2 N2 Na2 O8 -","- C44 H106 B20 Er2 N2 Na2 O8 -","1","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0882","0.0586","","","0.1589","0.1775","","","","","","1.034","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076221","15.2362","0.0015","11.0743","0.0011","15.8856","0.0016","90","","95.219","0.002","90","","2669.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H66 B20 N10 Na2 Y2 -","- C28 H66 B20 N10 Na2 Y2 -","- C56 H132 B40 N20 Na4 Y4 -","2","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0491","0.032","","","0.0761","0.0813","","","","","","0.995","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076222","11.239","0.002","11.763","0.002","12.577","0.003","89.98","0.03","66.38","0.03","64.88","0.03","1350.2","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H90 B20 N2 Na2 O6 Y2 -","- C36 H90 B20 N2 Na2 O6 Y2 -","- C36 H90 B20 N2 Na2 O6 Y2 -","1","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0619","0.0572","","","0.1526","0.1572","","","","","","1.03","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076223","12.5836","0.0012","10.5013","0.001","18.4735","0.0017","90","","95.701","0.002","90","","2429.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H72 B20 N8 Na2 Y2 -","- C28 H72 B20 N8 Na2 Y2 -","- C56 H144 B40 N16 Na4 Y4 -","2","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0904","0.0529","","","0.1214","0.1305","","","","","","0.927","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4076224","12.558","0.0016","9.7328","0.0012","18.27","0.002","90","","98.648","0.003","90","","2207.7","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H60 B20 N4 Na2 O2 Y2 -","- C22 H50 B20 N4 Na2 O2 Y2 -","- C44 H100 B40 N8 Na4 O4 Y4 -","2","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0911","0.0621","","","0.1922","0.2109","","","","","","1.013","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076225","9.787","0.002","12.471","0.003","12.604","0.003","112.64","0.03","96.47","0.03","110.51","0.03","1274.1","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H76 B20 Er2 N4 Na2 O4 -","- C30 H76 B20 Er2 N4 Na2 O4 -","- C30 H76 B20 Er2 N4 Na2 O4 -","1","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0717","0.0578","","","0.1519","0.1621","","","","","","1.059","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076226","10.6328","0.0005","16.3658","0.0008","26.4922","0.0013","90","","100.298","0.001","90","","4535.8","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H128 B20 Er2 K2 N4 O12 -","- C68 H128 B20 Er2 K2 N4 O12 -","- C136 H256 B40 Er4 K4 N8 O24 -","2","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.1022","0.0548","","","0.1302","0.1573","","","","","","1.049","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076227","14.1272","0.0009","22.0377","0.0014","18.5255","0.0011","90","","90","","90","","5767.6","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H69 B20 Er2 Mg N11 -","- C30 H70 B20 Er2 Mg N11 -","- C120 H280 B80 Er8 Mg4 N44 -","4","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0883","0.0647","","","0.1887","0.2113","","","","","","0.989","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4083942","9.4802","0.0013","11.8928","0.0017","23.244","0.004","80.341","0.009","80.978","0.011","73.924","0.01","2465.6","0.7","150.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 Ge2 P2 Pt2 -","- C60 H50 Ge2 P2 Pt2 -","- C120 H100 Ge4 P4 Pt4 -","2","1","","Usui, Yoko; Hosotani, Sayaka; Ogawa, Aki; Nanjo, Masato; Mochida, Kunio","Successive Formation of Hydrido(germyl)platinum, Germaplatinacycle, and Germylene-Bridged Dinuclear Platinum Complexes from the Reaction of a Zerovalent Platinum Complex with α,ω-Dihydrodigermanes","Organometallics","2005","24","18","4337","","10.1021/om0503287","","","0.7107","MoKα","","","0.0736","","","","0.1864","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083943","13.304","0.0008","13.7074","0.0008","15.135","0.0009","98.822","0.001","96.636","0.001","111.659","0.001","2489.9","0.3","201","2","201","2","","","","","","","","8","P -1","-P 1","2","","([RuCl(p-cymene)(phosphoramidite)]PF6","","- C55.5 H48 Cl4 F6 N O2 P2 Ru -","- C55.5 H48 Cl4 F6 N O2 P2 Ru -","- C111 H96 Cl8 F12 N2 O4 P4 Ru2 -","2","1","","Huber, Dominik; Kumar, P. G. Anil; Pregosin, Paul S.; Mezzetti, Antonio","An η2-Aryl−Metal Interaction Turns a Chiral Monodentate Phosphoramidite into a Chelating Ligand in (Sa,SRu,RC,RC)-[RuCl(η6-p-cymene) (O,O‘-(1,1‘-dinaphthyl-2,2‘-diyl)-N-(1-(1,2-η-1-naphthyl)ethyl)-N-(1-(1-naphthyl)ethyl)phosphoramidite-κP)]PF6","Organometallics","2005","24","22","5221","","10.1021/om050686+","","x-ray","0.71073","MoKα","","0.0447","0.0405","","","0.1079","0.1112","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083944","13.5697","0.0001","7.5837","0.0001","19.732","0.0002","90","","117.111","0.0004","90","","1807.47","0.03","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Br4 Cl2 N2 P2 Pd -","- C34 H24 Br4 Cl2 N2 P2 Pd -","- C68 H48 Br8 Cl4 N4 P4 Pd2 -","2","0.5","","de Pater, Jeroen. J. M.; Maljaars, C. Elizabeth P.; de Wolf, Elwin; Lutz, Martin; Spek, Anthony L.; Deelman, Berth-Jan; Elsevier, Cornelis J.; van Koten, Gerard","(Perfluoro)alkylsilyl-Substituted 2-[Bis(4-aryl)phosphino]pyridines: Synthesis and Comparison of Their Palladium Complexes in Methoxycarbonylation of Phenylacetylene in Regular Solvents and Supercritical CO2","Organometallics","2005","24","22","5299","","10.1021/om050479+","","","0.71073","MoKα","","0.0509","0.0393","","","0.0928","0.1","","","","","","1.077","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083946","20.7053","0.0004","20.7053","0.0004","13.531","0.0005","90","","90","","90","","5800.9","0.3","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C24 H84 B40 Si5 -","- C24 H84 B40 Si5 -","- C96 H336 B160 Si20 -","4","0.25","","Núñez, Rosario; González-Campo, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko","Boron-Functionalized Carbosilanes: Insertion of Carborane Clusters into Peripheral Silicon Atoms of Carbosilane Compounds","Organometallics","2005","24","26","6351","","10.1021/om050651+","","x-ray","0.71073","Mokα","","0.1225","0.0768","","","0.17","0.1874","","","","","","1.099","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083947","13.9813","0.0005","17.6592","0.0005","12.7224","0.0004","90","","90","","90","","3141.14","0.17","173","2","173","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","","","- C28 H92 B40 Si5 -","- C28 H92 B40 Si5 -","- C56 H184 B80 Si10 -","2","0.5","","Núñez, Rosario; González-Campo, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko","Boron-Functionalized Carbosilanes: Insertion of Carborane Clusters into Peripheral Silicon Atoms of Carbosilane Compounds","Organometallics","2005","24","26","6351","","10.1021/om050651+","","x-ray","0.71073","Mokα","","0.0922","0.0777","","","0.1952","0.2113","","","","","","1.054","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083948","12.7957","0.0001","18.2036","0.0002","33.0523","0.0005","90","","90","","90","","7698.8","0.16","173","2","173","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","","","- C48 H100 B40 Si5 -","- C48 H100 B40 Si5 -","- C192 H400 B160 Si20 -","4","1","","Núñez, Rosario; González-Campo, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko","Boron-Functionalized Carbosilanes: Insertion of Carborane Clusters into Peripheral Silicon Atoms of Carbosilane Compounds","Organometallics","2005","24","26","6351","","10.1021/om050651+","","x-ray","0.71073","Mokα","","0.1062","0.0674","","","0.1028","0.1153","","","","","","1.051","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083949","13.6454","0.0008","6.9216","0.0002","18.1622","0.001","90","","107.739","0.002","90","","1633.82","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 B10 Si -","- C10 H22 B10 Si -","- C40 H88 B40 Si4 -","4","1","","Núñez, Rosario; González-Campo, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko","Boron-Functionalized Carbosilanes: Insertion of Carborane Clusters into Peripheral Silicon Atoms of Carbosilane Compounds","Organometallics","2005","24","26","6351","","10.1021/om050651+","","x-ray","0.71073","Mokα","","0.0639","0.0423","","","0.1016","0.1108","","","","","","1.027","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083950","8.3713","0.0013","9.0861","0.0012","10.3104","0.0011","105.556","0.01","94.241","0.01","91.013","0.011","752.86","0.18","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Br Cr N2 O3 -","- C14 H13 Br Cr N2 O3 -","- C28 H26 Br2 Cr2 N4 O6 -","2","1","","Moret, Marc-Etienne; Chaplin, Adrian B.; Lawrence, Adrien K.; Scopelliti, Rosario; Dyson, Paul J.","Synthesis and Characterization of Organometallic Ionic Liquids and a Heterometallic Carbene Complex Containing the Chromium Tricarbonyl Fragment","Organometallics","2005","24","16","4039","","10.1021/om050283+","","","0.71073","MoKα","","0.0488","0.0391","","","0.0944","0.0977","","","","","","0.983","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083951","5.9434","0.0013","17.6518","0.0013","14.7067","0.0015","90","","100.586","0.013","90","","1516.6","0.4","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br Cr N2 O3 -","- C15 H15 Br Cr N2 O3 -","- C60 H60 Br4 Cr4 N8 O12 -","4","1","","Moret, Marc-Etienne; Chaplin, Adrian B.; Lawrence, Adrien K.; Scopelliti, Rosario; Dyson, Paul J.","Synthesis and Characterization of Organometallic Ionic Liquids and a Heterometallic Carbene Complex Containing the Chromium Tricarbonyl Fragment","Organometallics","2005","24","16","4039","","10.1021/om050283+","","","0.71073","MoKα","","0.0582","0.0401","","","0.0959","0.1016","","","","","","0.946","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083952","11.8561","0.0011","8.5321","0.0005","16.516","0.0013","90","","106.766","0.007","90","","1599.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Br Cr N O4 -","- C14 H18 Br Cr N O4 -","- C56 H72 Br4 Cr4 N4 O16 -","4","1","","Moret, Marc-Etienne; Chaplin, Adrian B.; Lawrence, Adrien K.; Scopelliti, Rosario; Dyson, Paul J.","Synthesis and Characterization of Organometallic Ionic Liquids and a Heterometallic Carbene Complex Containing the Chromium Tricarbonyl Fragment","Organometallics","2005","24","16","4039","","10.1021/om050283+","","","0.71073","MoKα","","0.0769","0.0391","","","0.0637","0.0738","","","","","","0.968","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083953","17.232","0.005","11.169","0.004","12.166","0.002","90","","101.63","0.02","90","","2293.4","1.1","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br Cr N O6 S -","- C21 H24 Br Cr N O6 S -","- C84 H96 Br4 Cr4 N4 O24 S4 -","4","1","","Moret, Marc-Etienne; Chaplin, Adrian B.; Lawrence, Adrien K.; Scopelliti, Rosario; Dyson, Paul J.","Synthesis and Characterization of Organometallic Ionic Liquids and a Heterometallic Carbene Complex Containing the Chromium Tricarbonyl Fragment","Organometallics","2005","24","16","4039","","10.1021/om050283+","","","0.71073","MoKα","","0.1232","0.0633","","","0.153","0.1854","","","","","","0.908","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083954","12.446","0.005","13.638","0.005","20.258","0.005","78.037","0.005","89.494","0.005","72.735","0.005","3207.2","1.9","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H60 Cl12 Cr2 N4 O6 Ru2 -","- C52 H60 Cl12 Cr2 N4 O6 Ru2 -","- C104 H120 Cl24 Cr4 N8 O12 Ru4 -","2","1","","Moret, Marc-Etienne; Chaplin, Adrian B.; Lawrence, Adrien K.; Scopelliti, Rosario; Dyson, Paul J.","Synthesis and Characterization of Organometallic Ionic Liquids and a Heterometallic Carbene Complex Containing the Chromium Tricarbonyl Fragment","Organometallics","2005","24","16","4039","","10.1021/om050283+","","","0.71069","MoKα","","0.188","0.0831","","","0.1669","0.2026","","","","","","0.868","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083955","12.6218","0.0005","13.3776","0.0005","14.3654","0.0005","92.678","0.001","91.051","0.001","109.958","0.001","2275.91","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 O13 P Pt Ru5 -","- C38 H42 O13 P Pt Ru5 -","- C76 H84 O26 P2 Pt2 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","New High Nuclearity Platinum‒Ruthenium Carbonyl Cluster Complexes Containing a Phenylacetylene Ligand: Structures and Properties","Organometallics","2005","24","10","2419","2423","10.1021/om050175n","","","0.71073","MoKα","","0.0578","0.0454","","","0.1139","0.1227","","","","","","1.037","","","","has coordinates","181221","2020-10-21","18:00:00",""
"4083956","10.41","0.002","10.731","0.002","23.503","0.005","99.66","0.03","91.7","0.03","101.24","0.03","2533.4","0.9","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H46 Cl5 F3 Ir N2 O2.5 P2 -","- C50 H46 Cl5 F3 Ir N2 O2.5 P2 -","- C100 H92 Cl10 F6 Ir2 N4 O5 P4 -","2","1","","Doctorovich, Fabio; Di Salvo, Florencia; Escola, Natalia; Trápani, Cecilia; Shimon, Linda","Formation of Coordinated Nitrosamines by Reaction of K[IrCl5NO] with Primary Amines","Organometallics","2005","24","20","4707","","10.1021/om050457n","","","0.71073","MoKα","","0.086","0.0652","","","0.133","0.1416","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083957","10.706","0.002","21.686","0.004","21.954","0.004","90","","100.16","0.03","90","","5017.1","1.7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H48 Cl5 Ir N2 O P2 -","- C55 H48 Cl5 Ir N2 O P2 -","- C220 H192 Cl20 Ir4 N8 O4 P8 -","4","1","","Doctorovich, Fabio; Di Salvo, Florencia; Escola, Natalia; Trápani, Cecilia; Shimon, Linda","Formation of Coordinated Nitrosamines by Reaction of K[IrCl5NO] with Primary Amines","Organometallics","2005","24","20","4707","","10.1021/om050457n","","","0.71073","MoKα","","0.0777","0.0481","","","0.1072","0.1173","","","","","","1.051","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083964","21.661","0.004","22.288","0.003","25.488","0.004","90","","95.487","0.019","90","","12249","3","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 Eu F9 N6 O15.5 S3 -","- C43 H58 Eu F9 N6 O15.5 S3 -","- C344 H464 Eu8 F72 N48 O124 S24 -","8","2","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.2479","0.1598","","","0.3941","0.4256","","","","","","1.124","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083965","12.9384","0.0014","18.489","0.002","22.34","0.005","90","","90","","90","","5344.1","1.4","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H54 F9 La N6 O14 S3 -","- C41 H54 F9 La N6 O14 S3 -","- C164 H216 F36 La4 N24 O56 S12 -","4","1","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.0505","0.0383","","","0.086","0.0896","","","","","","0.963","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083966","15.357","0.003","21.67","0.004","17.33","0.003","90","","101.962","0.003","90","","5642","1.8","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 F9 N6 O13 S3 Yb -","- C37 H46 F9 N6 O13 S3 Yb -","- C148 H184 F36 N24 O52 S12 Yb4 -","4","1","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.1499","0.1465","","","0.3951","0.3986","","","","","","2.123","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083967","48.157","0.007","9.5111","0.0014","15.123","0.002","90","","98.601","0.002","90","","6848.8","1.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C55 H72 Cl6 Eu2 N11 O6 -","- C55 H72 Cl6 Eu2 N11 O6 -","- C220 H288 Cl24 Eu8 N44 O24 -","4","1","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.0595","0.0539","","","0.1425","0.1462","","","","","","1.125","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083968","15.0756","0.0007","48.534","0.002","9.6438","0.0004","90","","90","","90","","7056.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C51 H69 Cl6 N9 O6 Yb2 -","- C51 H69 Cl6 N9 O6 Yb2 -","- C204 H276 Cl24 N36 O24 Yb8 -","4","1","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.0651","0.0635","","","0.1839","0.1858","","","","","","1.117","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4085610","12.575","0.003","7.265","0.003","14.454","0.003","90","","98.53","0.02","90","","1305.9","0.7","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Rudler, Henri; Parlier, Andrée; del Pilar Peregrina, Maria; Vaissermann, Jacqueline","1,4- to 1,5-Homologation of Alkene-Carbene and Alkyne-Carbene Complexes of Chromium and Tungsten: The Clue to Reactivity","Organometallics","2005","24","1","1","3","10.1021/om0491286","","","0.71073","MoKα","","0.1153","0.058","","0.1212","0.0605","0.0605","","","","","","1.1923","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085611","8.271","0.003","19.028","0.006","9.753","0.0012","90","","102.38","0.02","90","","1499.2","0.8","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","2","","Rudler, Henri; Parlier, Andrée; del Pilar Peregrina, Maria; Vaissermann, Jacqueline","1,4- to 1,5-Homologation of Alkene-Carbene and Alkyne-Carbene Complexes of Chromium and Tungsten: The Clue to Reactivity","Organometallics","2005","24","1","1","3","10.1021/om0491286","","","0.71073","MoKα","","0.1372","0.0721","","0.1506","0.0739","0.0739","","","","","","1.1113","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085612","14.7596","0.0003","33.0204","0.0005","19.5277","0.0004","90","","98.6988","0.0005","90","","9407.7","0.3","113.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C108 H123 O6 P3 -","- C108 H123 O6 P3 -","- C432 H492 O24 P12 -","4","1","","Obora, Yasushi; Liu, Yun Kui; Jiang, Li Hong; Takenaka, Kazuhiro; Tokunaga, Makoto; Tsuji, Yasushi","Iridium(I) and Rhodium(I) Cationic Complexes with Triphosphinocalix[6]arene Ligands: Dynamic Motion with Size-Selective Molecular Encapsulation","Organometallics","2005","24","1","4","6","10.1021/om049227j","","","0.7107","MoKα","","","0.052","","","","0.06","","","","","","1.425","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085613","33.75","0.011","20.155","0.006","20.504","0.007","90","","117.045","0.003","90","","12422","7","293.1","","","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C243 H286 B3 Cl6 F12 Ir3 O12 P6 -","- C243 H286 B3 Cl6 F12 Ir3 O12 P6 -","- C486 H572 B6 Cl12 F24 Ir6 O24 P12 -","2","0.5","","Obora, Yasushi; Liu, Yun Kui; Jiang, Li Hong; Takenaka, Kazuhiro; Tokunaga, Makoto; Tsuji, Yasushi","Iridium(I) and Rhodium(I) Cationic Complexes with Triphosphinocalix[6]arene Ligands: Dynamic Motion with Size-Selective Molecular Encapsulation","Organometallics","2005","24","1","4","6","10.1021/om049227j","","","0.7107","MoKα","","","0.062","","","","0.076","","","","","","1.505","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085614","13.3079","0.0015","15.8153","0.0018","18.952","0.002","90","","91.057","0.009","90","","3988.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cis-anti-(dmso)2Pt(2Tol)2","","","- C18 H26 O2 Pt S2 -","- C18 H26 O2 Pt S2 -","- C144 H208 O16 Pt8 S16 -","8","2","","Klein, Axel; Schurr, Thilo; Knödler, Axel; Gudat, Dietrich; Klinkhammer, Karl-Wilhelm; Jain, Vimal K.; Záliš, Stanislav; Kaim, Wolfgang","Multiple Isomerism (cis/trans; syn/anti) in [(dmso)~2~Pt(aryl)~2~] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation","Organometallics","2005","24","17","4125","4131","10.1021/om050076+","","","0.71073","MoKα","","0.1122","0.0533","","","0.0948","0.1132","","","","","","0.999","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085615","7.85","0.0016","9.262","0.0019","16.002","0.003","90","","95.66","0.03","90","","1157.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-(dmso)2Pt(Mes)2","","- C22 H34 O2 Pt S2 -","- C22 H34 O2 Pt S2 -","- C44 H68 O4 Pt2 S4 -","2","0.5","","Klein, Axel; Schurr, Thilo; Knödler, Axel; Gudat, Dietrich; Klinkhammer, Karl-Wilhelm; Jain, Vimal K.; Záliš, Stanislav; Kaim, Wolfgang","Multiple Isomerism (cis/trans; syn/anti) in [(dmso)~2~Pt(aryl)~2~] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation","Organometallics","2005","24","17","4125","4131","10.1021/om050076+","","","0.71073","MoKα","","0.0772","0.0707","","","0.1367","0.1374","","","","","","3.072","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4089329","13.9642","0.001","9.8676","0.0007","16.3474","0.0012","90","","112.533","0.001","90","","2080.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 N2 O3 Pd -","- C19 H32 N2 O3 Pd -","- C76 H128 N8 O12 Pd4 -","4","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0286","0.0256","","","0.066","0.0682","","","","","","1.016","","","","has coordinates,has disorder","243612","2020-10-21","18:00:00",""
"4089330","16.144","0.01","15.353","0.01","16.914","0.011","90","","90","","90","","4192","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 N2 O3 Pd -","- C22 H30 N2 O3 Pd -","- C176 H240 N16 O24 Pd8 -","8","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0269","0.0227","","","0.0591","0.0622","","","","","","1.003","","","","has coordinates","243612","2020-10-21","18:00:00",""
"4089331","9.734","0.002","14.126","0.003","15.694","0.004","75.415","0.003","88.903","0.003","77.105","0.003","2034.2","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H45 I O3 P2 Pd -","- C48 H45 I O3 P2 Pd -","- C96 H90 I2 O6 P4 Pd2 -","2","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0359","0.0307","","","0.0795","0.0826","","","","","","1.03","","","","has coordinates,has disorder","243612","2020-10-21","18:00:00",""
"4089332","10.138","0.004","13.78","0.005","27.372","0.01","90","","90","","90","","3824","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 I O3 P2 Pd -","- C39 H43 I O3 P2 Pd -","- C156 H172 I4 O12 P8 Pd4 -","4","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0339","0.0333","","","0.088","0.0884","","","","","","1.016","","","","has coordinates,has disorder","243612","2020-10-21","18:00:00",""
"4089333","9.9586","0.0018","22.852","0.004","8.9984","0.0016","90","","111.831","0.003","90","","1900.9","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C88 H88 O24 -","4","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0411","0.0371","","","0.1005","0.1041","","","","","","1.001","","","","has coordinates","243612","2020-10-21","18:00:00",""
"4089334","17.474","0.005","8.561","0.003","29.44","0.009","90","","90","","90","","4404","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C192 H200 N8 O56 -","8","2","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0364","0.0326","","","0.0846","0.0873","","","","","","1.004","","","","has coordinates,has disorder","244972","2020-10-21","18:00:00",""
"4089335","10.0363","0.0006","18.0314","0.0011","10.3864","0.0006","90","","113.968","0.001","90","","1717.54","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","RuCp(PPh~2~NHPh)~2~Cl (1a)","","","- C41 H37 Cl N2 P2 Ru -","- C41 H37 Cl N2 P2 Ru -","- C82 H74 Cl2 N4 P4 Ru2 -","2","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.0168","0.0167","","","0.0442","0.0443","","","","","","1.02","","","","has coordinates","243613","2020-10-21","18:00:00",""
"4089336","11.005","0.002","21.85","0.003","20.272","0.003","90","","103.544","0.002","90","","4739","1.3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","RuTp(PPh~2~NHPh)~2~Cl.CHCl~3~ (2a.CHCl3)","","","- C46 H43 B Cl4 N8 P2 Ru -","- C46.0019 H43 B Cl4 N8 P2 Ru -","- C184.008 H172 B4 Cl16 N32 P8 Ru4 -","4","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.036","0.0291","","","0.0699","0.0738","","","","","","1.029","","","","has coordinates,has disorder","243613","2020-10-21","18:00:00",""
"4089337","9.9429","0.0012","21.374","0.003","18.606","0.002","90","","98.61","0.002","90","","3909.6","0.8","297","2","297","2","","","","","","","","8","P 1 n 1 (a,b+1/4,c)","P -2yabc","7","RuCp(PPh~2~NHPh)~2~(eta^1^-OSO~2~CF~3~) (3)","","","- C42 H37 F3 N2 O3 P2 Ru S -","- C42 H37 F3 N2 O3 P2 Ru S -","- C168 H148 F12 N8 O12 P8 Ru4 S4 -","4","","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.045","0.0315","","","0.0688","0.0745","","","","","","1.002","","","","has coordinates","243613","2020-10-21","18:00:00",""
"4089338","11.142","0.0019","15.037","0.003","24.94","0.004","90","","100.654","0.003","90","","4106.5","1.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[RuCp(kappa^2^(P,P)-PPh~2~NHC~6~H~4~PPh~2~)(kappa^1^(N)-NH~2~Ph)] SbF~6~.solv (4.solv)","","","- C41 H37 F6 N2 P2 Ru Sb -","- C44.01 H37 F6 N2 P2 Ru Sb -","- C176.04 H148 F24 N8 P8 Ru4 Sb4 -","4","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.0735","0.0468","","","0.097","0.1076","","","","","","1.046","","","","has coordinates,has disorder","243613","2020-10-21","18:00:00",""
"4089339","11.6571","0.0007","12.9967","0.0008","15.1889","0.0009","77.718","0.001","68.636","0.001","71.892","0.001","2024","0.2","300","2","300","2","","","","","","","","8","P -1","-P 1","2","[RuCp(=C(CH~2~Bu^n^)NHPPh~2~)(kappa^2^(P,P)-PPh~2~OPPh~2~)]CF~3~SO~3~ (9)","","","- C42 H42 F3 N O4 P2 Ru S -","- C42 H42 F3 N O4 P2 Ru S -","- C84 H84 F6 N2 O8 P4 Ru2 S2 -","2","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.0444","0.0344","","","0.0853","0.0912","","","","","","1.014","","","","has coordinates,has disorder","243613","2020-10-21","18:00:00",""
"4089340","19.82","0.04","8.626","0.015","23.59","0.04","90","","100.61","0.05","90","","3964","13","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[RuCp(=C(CH~2~Ph)NHPh)(PPh~2~NHPh)(kappa^1^(P)-PPh~2~O)] (10a)","","","- C49 H44 N2 O P2 Ru -","- C49 H44 N2 O P2 Ru -","- C196 H176 N8 O4 P8 Ru4 -","4","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.2121","0.0905","","","0.1534","0.2007","","","","","","0.889","","","","has coordinates","243613","2020-10-21","18:00:00",""
"4089341","13.28","0.002","12.787","0.002","31.996","0.005","90","","100.455","0.003","90","","5343.1","1.4","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","[CpRu(PPh~2~NHPh)~2~(=C=C=CPh~2~)]CF~3~SO~3~.CH~2~Cl~2~ (11.CH~2~Cl~2~)","","","- C58 H49 Cl2 F3 N2 O3 P2 Ru S -","- C57.73 H48.46 Cl1.993 F3 N2 O3 P2 Ru S -","- C230.92 H193.84 Cl7.972 F12 N8 O12 P8 Ru4 S4 -","4","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.1245","0.0641","","","0.1525","0.1834","","","","","","1.012","","","","has coordinates,has disorder","243613","2020-10-21","18:00:00",""
"4089342","11.403","0.002","17.341","0.004","31.492","0.007","90","","96.726","0.007","90","","6184","2","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[RuTp(kappa^2^(C,P)=C(CH~2~Ph)N(Ph)PPh~2~) (kappa^1^(P)-PPh~2~NHPh)]SbF~6~.2C~6~H~5~F (14a.2C~6~H~5~F)","","","- C65 H58 B F8 N8 P2 Ru Sb -","- C65 H58 B F8 N8 P2 Ru Sb -","- C260 H232 B4 F32 N32 P8 Ru4 Sb4 -","4","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.2321","0.0874","","","0.193","0.2634","","","","","","0.956","","","","has coordinates","243613","2020-10-21","18:00:00",""
"4089343","12.8141","0.0005","13.9087","0.0006","18.1289","0.0007","86.685","0.001","69.964","0.001","62.774","0.001","2680.22","0.19","173","2","173","2","","","","","","","","10","P -1","-P 1","2","[RuTp(kappa^2^(C,P)=C(CH~2~C~6~H~4~Me)N(Pr^n^)PPh~2~) (kappa^1^(P)-PPh~2~NHPr^n^)]CF~3~SO~3~.CH~2~Cl~2~ (15b.CH~2~Cl~2~)","","","- C50 H56 B Cl2 F3 N8 O3 P2 Ru S -","- C50 H56 B Cl2 F3 N8 O3 P2 Ru S -","- C100 H112 B2 Cl4 F6 N16 O6 P4 Ru2 S2 -","2","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.0303","0.0272","","","0.0714","0.0743","","","","","","1.042","","","","has coordinates,has disorder","243613","2020-10-21","18:00:00",""
"4089344","12.3228","0.0005","13.839","0.0005","17.7616","0.0007","79.91","0.001","83.886","0.001","63.82","0.001","2674.74","0.18","173","2","173","2","","","","","","","","9","P -1","-P 1","2","[RuTp(kappa^2^(C,P)=C(CH=CPh~2~)N(Pr^n^)PPh~2~) (kappa^1^(P)-PPh~2~NHPr^n^)]CF~3~SO3 (17)","","","- C55 H56 B F3 N8 O3 P2 Ru S -","- C54.9867 H56 B F2.9601 N8 O2.9601 P2 Ru S0.9867 -","- C109.973 H112 B2 F5.9202 N16 O5.9202 P4 Ru2 S1.9734 -","2","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.0268","0.0249","","","0.0651","0.0667","","","","","","1.024","","","","has coordinates,has disorder","243613","2020-10-21","18:00:00",""
"4100000","18.0757","0.001","16.097","0.0009","20.6888","0.0011","90","","104.687","0.001","90","","5823","0.6","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N2 Ni O3 -","- C30 H36 N2 Ni O3 -","- C240 H288 N16 Ni8 O24 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100001","11.0032","0.0012","9.6385","0.0011","14.3586","0.0016","90","","90","","90","","1522.8","0.3","150","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl N2 Ni -","- C14 H25 Cl N2 Ni -","- C56 H100 Cl4 N8 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100002","11.2997","0.0012","9.7379","0.0011","14.7603","0.0016","90","","90","","90","","1624.2","0.3","150","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H25 Br N2 Ni -","- C14 H25 Br N2 Ni -","- C56 H100 Br4 N8 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100003","7.7145","0.0016","8.3682","0.0018","19.411","0.004","78.551","0.004","88.502","0.004","69.455","0.004","1148.8","0.4","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N2 Ni O3 -","- C24 H24 N2 Ni O3 -","- C48 H48 N4 Ni2 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100004","18.275","0.0009","16.387","0.0008","31.1987","0.0015","90","","90.476","0.001","90","","9342.8","0.8","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 Ni O3 -","- C24 H26 N2 Ni O3 -","- C384 H416 N32 Ni16 O48 -","16","4","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100005","8.94","0.0007","20.5564","0.0016","16.0631","0.0012","90","","105.736","0.002","90","","2841.3","0.4","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 Ni O3 -","- C30 H38 N2 Ni O3 -","- C120 H152 N8 Ni4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100006","13.649","0.003","25.077","0.005","22.742","0.004","90","","91.952","0.004","90","","7779","2","193.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H86 Fe2 N8 O10 P2 -","- C86 H86 Fe2 N8 O10 P2 -","- C344 H344 Fe8 N32 O40 P8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0460458","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100007","14.084","0.001","15.38","0.002","24.082","0.002","97.723","0.008","100.09","0.01","117.146","0.006","4431.4","0.9","193.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C97 H98 F3 Fe2 N8 O13.5 P2 -","- C97 H98 F3 Fe2 N8 O13.5 P2 -","- C194 H196 F6 Fe4 N16 O27 P4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0460458","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100008","7.3844","0.0015","15.64","0.003","22.541","0.005","105.37","0.03","96.51","0.03","91.82","0.03","2488.8","0.9","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H41 B2 O4 Rh -","- C22 H41 B2 O4 Rh -","- C88 H164 B8 O16 Rh4 -","4","2","","Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.","Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes","Journal of the American Chemical Society","2005","","","","","10.1021/ja045090c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100009","13.798","0.003","14.718","0.003","17.139","0.003","73.3","0.03","89.38","0.03","78.95","0.03","3268.1","1.1","113","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 B3 O6 Rh -","- C28 H52 B3 O6 Rh -","- C112 H208 B12 O24 Rh4 -","4","2","","Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.","Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes","Journal of the American Chemical Society","2005","","","","","10.1021/ja045090c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100010","10.43","0.002","11.785","0.002","17.455","0.004","74.18","0.03","87.53","0.03","66.22","0.03","1883.6","0.7","183","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H55 B O2 P Rh -","- C37 H49 B O2 P Rh -","- C74 H98 B2 O4 P2 Rh2 -","2","1","","Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.","Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes","Journal of the American Chemical Society","2005","","","","","10.1021/ja045090c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100011","18.496","0.004","20.128","0.004","19.179","0.004","90","","116.33","0.03","90","","6399","2","123","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 B2 O4 P Rh -","- C28 H54 B2 O4 P Rh -","- C224 H432 B16 O32 P8 Rh8 -","8","2","","Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.","Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes","Journal of the American Chemical Society","2005","","","","","10.1021/ja045090c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100012","7.2615","0.0006","8.7028","0.0007","11.485","0.0009","104.878","0.0013","100.648","0.0015","98.4852","0.0014","674.7","0.09","193","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H42 Si2 -","- C26 H42 Si2 -","- C26 H42 Si2 -","1","0.5","","Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; .","Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja044526l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100013","21.699","0.003","7.8425","0.0011","16.242","0.002","90","","90.184","0.003","90","","2764","0.7","193","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Si2 -","- C28 H42 Si2 -","- C112 H168 Si8 -","4","0.5","","Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; .","Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja044526l","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100014","8.2757","0.0006","13.4444","0.0011","13.9444","0.0011","90","","97.7225","0.0016","90","","1537.4","0.2","193","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Si2 -","- C30 H42 Si2 -","- C60 H84 Si4 -","2","0.5","","Eisler, Sara; Slepkov, Aaron D.; Elliott, Erin; Luu, Thanh; McDonald, Robert; Hegmann, Frank A.; Tykwinski, Rik R.","Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja044526l","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100015","7.6441","0.0014","12.485","0.002","18.3","0.003","70.701","0.004","82.758","0.004","80.5","0.004","1620.9","0.5","193","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H42 Si2 -","- C34 H42 Si2 -","- C68 H84 Si4 -","2","1","","Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; .","Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja044526l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100016","9.7619","0.0007","10.3789","0.0008","21.056","0.002","90","","95.506","0.001","90","","2123.5","0.3","273.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N O2 P -","- C27 H24 N O2 P -","- C108 H96 N4 O8 P4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044461m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100017","9.932","0.001","18.201","0.001","8.7778","0.0009","99.675","0.003","90.281","0.004","99.129","0.004","1543.7","0.3","293.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044194k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100018","6.0537","0.0004","17.481","0.0012","19.469","0.0013","90","","90","","90","","2060.3","0.2","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Xia, Wujiong; Yang, Chao; Patrick, Brian O.; Scheffer, John R.; Scott, Carl","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043254j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100019","10.437","0.0005","18.322","0.001","11.697","0.0004","90","","121.391","0.003","90","","1909.38","0.15","130","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Fe N3 O -","- C22 H17 Fe N3 O -","- C88 H68 Fe4 N12 O4 -","4","1","","Liao, Yi; Kaminsky, Werner","Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores","Journal of the American Chemical Society","2005","","","","","10.1021/ja0449123","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100020","10.003","0.0003","11.271","0.0003","14.935","0.0005","70.166","0.0013","89.948","0.0013","76.818","0.0019","1536.82","0.08","130","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H25 Cl4 Fe N3 O S -","- C30 H25 Cl4 Fe N3 O S -","- C60 H50 Cl8 Fe2 N6 O2 S2 -","2","1","","Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason","Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores","Journal of the American Chemical Society","2005","","","","","10.1021/ja0449123","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100021","13.47","0.0019","14.161","0.0017","14.661","0.002","73.342","0.009","64.348","0.005","68.832","0.008","2322.4","0.5","130","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C27.2 H16.39 Cl0.39 F3 Fe N3 O -","- C27.1965 H16.393 Cl0.393 F3 Fe N3 O -","- C108.786 H65.572 Cl1.572 F12 Fe4 N12 O4 -","4","2","","Liao, Yi; Robinson, Bruce; Kaminsky, Werner","Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores","Journal of the American Chemical Society","2005","","","","","10.1021/ja0449123","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100022","28.041","0.0011","15.294","0.0009","19.322","0.0009","90","","131.96","0.003","90","","6161.9","0.5","130","2","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Cl2 F3 Fe N3 O S -","- C34 H22 Cl2 F3 Fe N3 O S -","- C272 H176 Cl16 F24 Fe8 N24 O8 S8 -","8","1","","Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason","Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores","Journal of the American Chemical Society","2005","","","","","10.1021/ja0449123","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100023","8.257","0.003","8.37","0.002","21.383","0.008","90","","100.054","0.016","90","","1455.1","0.8","173","2","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C23 H33 B2 Cl2 F3 N4 O3 S -","- C23 H33 B2 Cl2 F3 N4 O3 S -","- C46 H66 B4 Cl4 F6 N8 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050129e","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100024","12.506","0.003","20.434","0.003","16.308","0.004","90","","106.907","0.01","90","","3987.3","1.5","173","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 B2 N4 O5 W -","- C40 H52 B2 N4 O5 W -","- C160 H208 B8 N16 O20 W4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050129e","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100025","17.75","0.002","41.914","0.005","7.9239","0.001","90","","90","","90","","5895.2","1.3","125","1","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C29 H46 B2 N4 -","- C29 H46 B2 N4 -","- C232 H368 B16 N32 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050129e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100026","15.856","0.001","9.4706","0.0008","20.2922","0.0014","90","","112.441","0.004","90","","2816.4","0.4","160","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","1,5-bis-(1-cyclohexyl-4-hydroxy-4-methyl-3-oxopentyl)-1-methyl-1H-pyrrole","","- C29 H47 N O4 -","- C29 H47 N O4 -","- C116 H188 N4 O16 -","4","1","","Palomo, Claudio; Oiarbide, Mikel; Kardak, Bharat G.; García, Jesús; Linden, Anthony","α'-Hydoxy Enones as New Templates for Cu(II)-Catalyzed Enantioselective Pyrrole and Indole Friedel-Crafts Alkylations","Journal of the American Chemical Society","2005","","","","","10.1021/ja0423217","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100027","11.3456","0.001","21.6734","0.0019","19.3685","0.0017","90","","101.026","0.002","90","","4674.8","0.7","138","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H78 Sm2 -","- C50 H78 Sm2 -","- C200 H312 Sm8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044529y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100028","9.978","0.003","17.896","0.006","18.049","0.006","90","","93.665","0.006","90","","3216.3","1.8","218","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Co O2 P S Si -","- C35 H36 Co O2 P S Si -","- C140 H144 Co4 O8 P4 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100029","17.381","0.003","5.8345","0.001","11.3055","0.0018","90","","112.239","0.002","90","","1061.2","0.3","173","2","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 Co2 S2 -","- C24 H24 Co2 S2 -","- C48 H48 Co4 S4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100030","9.0966","0.0012","10.7124","0.0014","17.936","0.002","74.952","0.002","89.251","0.002","75.278","0.002","1629.8","0.4","218","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H36 Co O P S Si -","- C35 H36 Co O P S Si -","- C70 H72 Co2 O2 P2 S2 Si2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100031","20.4171","0.0006","16.487","0.0005","18.8953","0.0006","90","","91.321","0.001","90","","6358.8","0.3","100","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H86 N6 O10 S2 -","- C66 H86 N6 O10 S2 -","- C264 H344 N24 O40 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042208g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100032","9.537","0.0003","26.9572","0.0009","12.3589","0.0004","90","","109.968","0.002","90","","2986.35","0.17","100","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 Cl2 N3 O4 -","- C32 H35 Cl2 N3 O4 -","- C128 H140 Cl8 N12 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042208g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100033","13.958","0.003","7.5579","0.0017","15.236","0.003","90","","114.6","0.004","90","","1461.4","0.6","173","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Cl F4 N3 -","- C17 H10 Cl F4 N3 -","- C68 H40 Cl4 F16 N12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100034","6.8075","0.0007","9.0631","0.001","13.4888","0.0015","70.863","0.002","78.833","0.002","75.604","0.002","755.8","0.14","173","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Cl F4 N3 -","- C17 H10 Cl F4 N3 -","- C34 H20 Cl2 F8 N6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100035","7.5926","0.0012","12.408","0.002","15.483","0.003","90","","90","","90","","1458.7","0.4","163","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H13 F4 N -","- C19 H13 F4 N -","- C76 H52 F16 N4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100036","7.711","0.002","11.939","0.004","15.819","0.005","91.697","0.006","90.421","0.005","98.628","0.005","1439.1","0.7","173","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 F4 N2 -","- C18 H12 F4 N2 -","- C72 H48 F16 N8 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100037","8.546","0.0006","9.43","0.0008","11.165","0.0007","73.016","0.004","82.571","0.005","81.014","0.004","846.6","0.1","273.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 O5 S -","- C17 H13 F3 O5 S -","- C34 H26 F6 O10 S2 -","2","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100038","10.033","0.0002","11.953","0.0005","16.295","0.0007","90","","90","","90","","1954.2","0.1","273.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 O6 P -","- C20 H23 O6 P -","- C80 H92 O24 P4 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100039","7.334","0.0003","19.543","0.0004","9.082","0.0004","90","","90","","90","","1301.7","0.1","273.2","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H12 Br2 O -","- C27 H18 Br4 O -","- C108 H72 Br16 O4 -","4","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100040","13.91","0.0003","19.228","0.0005","23.515","0.0007","90","","90","","90","","6289.4","0.3","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 F6 K O8 -","- C29 H31 F6 K O8 -","- C232 H248 F48 K8 O64 -","8","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218965","2020-10-21","18:00:00",""
"4100041","16.378","0.0006","7.467","0.0002","16.966","0.0006","90","","105.007","0.002","90","","2004.1","0.1","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 B N2 O2 -","- C24 B N2 O2 -","- C96 B4 N8 O8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218966","2020-10-21","18:00:00",""
"4100042","10.726","0.0004","12.542","0.0004","13.08","0.0004","90","","91.437","0.002","90","","1759.04","0.09","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 B N2 -","- C20 H25 B N2 -","- C80 H100 B4 N8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218966","2020-10-21","18:00:00",""
"4100043","12.777","0.0004","12.551","0.0006","10.72","0.0005","90","","90.546","0.003","90","","1719","0.1","273.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 B Cl2 N2 -","- C18 H19 B Cl2 N2 -","- C72 H76 B4 Cl8 N8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100044","11.962","0.0004","7.228","0.0001","20.281","0.0007","90","","100.49","0.001","90","","1724.21","0.07","273.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 B O4 -","- C22 H17 B O4 -","- C88 H68 B4 O16 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100045","9.867","0.0004","14.292","0.0006","14.081","0.0004","90","","90","","90","","1985.7","0.1","273.2","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H19 B O5 -","- C23 H19 B O5 -","- C92 H76 B4 O20 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100046","8.493","0.0002","14.313","0.0006","15.954","0.0008","90","","90","","90","","1939.4","0.1","273.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 B O2 S2 -","- C36 H29 B O4 S2 -","- C144 H116 B4 O16 S8 -","4","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100047","18.729","0.0008","13.177","0.0005","21.8","0.0009","90","","111.059","0.002","90","","5020.7","0.3","273.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 B O4 -","- C18 H19 B O4 -","- C216 H228 B12 O48 -","12","3","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100048","12.187","0.0004","6.823","0.0002","32.524","0.001","90","","90","","90","","2704.4","0.2","273.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H13 B F2 O2 -","- C16 H13 B F2 O2 -","- C128 H104 B8 F16 O16 -","8","2","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100049","6.95","0.0002","9.08","0.0002","11.323","0.0004","90","","90","","90","","714.55","0.04","273.2","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C16 H13 B Cl2 O2 -","- C16 H17 B Cl4 O2 -","- C32 H34 B2 Cl8 O4 -","2","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100050","6.642","0.005","12.169","0.005","15.118","0.005","90","","91.913","0.005","90","","1221.3","1.1","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100051","10.153","0.0005","7.248","0.0002","17.358","0.0009","90","","106.064","0.002","90","","1227.48","0.09","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 Br3 -","- C14 H7 Br3 -","- C56 H28 Br12 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100052","25.057","0.003","25.057","0.003","8.371","0.0005","90","","90","","90","","5255.8","0.7","273.2","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C17 H13 N O2 -","- C17 H14 N O2 -","- C272 H224 N16 O32 -","16","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100053","10.981","0.002","14.701","0.004","13.43","0.003","90","","107.81","0.02","90","","2064.2","0.8","273.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 B2 F7 O4 -","- C19 H19 B2 F7 O4 -","- C76 H76 B8 F28 O16 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100054","16.537","0.005","12.438","0.004","12.723","0.004","90","","90.155","0.005","90","","2617","1.4","173","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Ni Si4 -","- C18 H42 Ni Si4 -","- C72 H168 Ni4 Si16 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100055","10.969","0.001","19.144","0.002","12.491","0.002","90","","103.151","0.002","90","","2554.1","0.5","173","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Ni Si4 -","- C18 H42 Ni Si4 -","- C72 H168 Ni4 Si16 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100056","12.364","0.0008","10.2697","0.0007","21.0044","0.0014","90","","99.389","0.001","90","","2631.3","0.3","173","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Ni Si4 -","- C18 H42 Ni Si4 -","- C72 H168 Ni4 Si16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100057","14.819","0.007","23.37","0.01","11.251","0.005","90","","130.197","0.008","90","","2976","2","173","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Br2 Ni2 Si4 -","- C18 H42 Br2 Ni2 Si4 -","- C72 H168 Br8 Ni8 Si16 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100058","16.448","0.004","19.038","0.004","19.669","0.004","90","","90","","90","","6159","2","173","2","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H42 I2 Ni2 Si4 -","- C18 H42 I2 Ni2 Si4 -","- C144 H336 I16 Ni16 Si32 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100059","10.7634","0.0009","12.8715","0.0009","13.466","0.001","84.967","0.004","87.007","0.004","80.751","0.003","1832.9","0.2","100.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100060","10.774","0.001","12.901","0.001","13.481","0.001","84.828","0.004","86.932","0.004","80.859","0.003","1841","0.3","125.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100061","10.7902","0.0007","12.9099","0.0007","13.4876","0.0008","84.719","0.003","86.876","0.003","80.733","0.003","1844.9","0.2","145.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100062","10.8075","0.0005","12.9228","0.0006","13.4987","0.0008","84.676","0.001","86.905","0.001","80.678","0.002","1850.9","0.1","145.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100063","10.81","0.002","12.929","0.003","13.526","0.003","84.43","0.006","86.974","0.006","80.52","0.009","1854.5","0.6","180.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Cs N3 Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100064","10.821","0.002","12.935","0.003","13.566","0.003","84.37","0.006","87.094","0.005","80.51","0.01","1862.6","0.6","195.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100065","10.804","0.001","12.906","0.002","13.573","0.002","84.226","0.004","87.3","0.004","80.552","0.003","1856.5","0.4","210.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100066","10.798","0.003","12.928","0.002","13.642","0.003","84.02","0.01","87.631","0.008","80.447","0.007","1867.2","0.7","225.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100067","10.802","0.002","12.956","0.004","13.709","0.003","83.92","0.01","87.898","0.009","80.611","0.009","1881.8","0.7","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9.09 S10 -","- C48 H72 Cs2 Ni2 O18.18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100068","10.774","0.003","12.977","0.005","13.751","0.003","84.03","0.01","88.06","0.01","80.62","0.01","1886.3","0.9","260.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100069","10.782","0.003","13.05","0.005","13.818","0.004","84.03","0.02","87.93","0.01","80.58","0.01","1907.3","0.1","280.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100070","10.787","0.003","13.061","0.004","13.808","0.003","83.94","0.01","88.09","0.01","80.613","0.009","1908.4","0.9","300.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100071","7.3798","0.0006","13.422","0.0008","13.582","0.0009","90","","100.51","0.01","90","","1322.7","0.2","100","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Fe N2 S4 -","- C24 H40 Fe N2 S4 -","- C48 H80 Fe2 N4 S8 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042803i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100072","11.4045","0.0006","13.0763","0.0006","31.143","0.002","90","","93.2","0.01","90","","4637.1","0.4","100","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 As Co S4 -","- C47 H58 As Co S4 -","- C188 H232 As4 Co4 S16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042803i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100073","9.9942","0.0009","9.5495","0.0008","33.038","0.003","90","","95.405","0.001","90","","3139.1","0.5","100","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Co O P S Si -","- C35 H36 Co O P S Si -","- C140 H144 Co4 O4 P4 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100074","10.8864","0.0005","29.532","0.002","47.439","0.002","90","","90","","90","","15251.5","1.4","293","2","","","","","","","","","","6","I 2 m m","I -2 2","44","","","","- C1.65 H10 N0.82 O5.24 Se U0.59 -","- C2.11706 O5.35082 Se0.999882 U0.588294 -","- C143.96 O363.856 Se67.992 U40.004 -","68","8.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0436289","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100075","7.7697","0.0017","5.6329","0.0013","13.56","0.003","90","","100.345","0.004","90","","583.8","0.2","100","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O2 -","- C12 H14 Br N O2 -","- C24 H28 Br2 N2 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0444637","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100076","13.628","0.002","25.586","0.004","18.371","0.003","90","","90.579","0.003","90","","6405.4","1.6","203","2","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H58 B Cr F24 N2 O Si -","- C61 H58 B Cr F24 N2 O Si -","- C244 H232 B4 Cr4 F96 N8 O4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043877x","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100077","6.6386","0.0003","18.4782","0.0011","19.224","0.001","90","","97.679","0.004","90","","2337","0.2","110","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H8 Cr2 Fe N2 O10 -","- C22 H8 Cr2 Fe N2 O10 -","- C88 H32 Cr8 Fe4 N8 O40 -","4","1","","Siemeling, Ulrich; Rother, Dag; Fink, Heinrich","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0436244","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100078","6.48","0.0013","9.274","0.0019","23.403","0.005","90","","94.18","0.03","90","","1402.7","0.5","130","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Au2 Cl2 Fe N2 -","- C12 H8 Au2 Cl2 Fe N2 -","- C48 H32 Au8 Cl8 Fe4 N8 -","4","1","","Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0436244","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100079","8.6329","0.0012","9.156","0.0013","12.5796","0.0018","99.119","0.002","100.021","0.003","90.017","0.002","966.4","0.2","150","2","","","","","","","","","","5","P -1","-P 1","2","","5-fluorouracil","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C32 H24 F8 N16 O16 -","8","4","","Hulme, Ashley T.; Tocher, Derek A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044336a","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4100080","5.154","0.0016","15.001","0.005","6.654","0.002","90","","110.336","0.005","90","","482.4","0.3","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorouracil","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C16 H12 F4 N8 O8 -","4","1","","Hulme, Ashley T.; Tocher, Derek A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044336a","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100081","5.0433","0.0012","14.935","0.003","6.6049","0.0015","90","","108.884","0.004","90","","470.72","0.19","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorouracil form II","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C16 H12 F4 N8 O8 -","4","1","","Hulme, Ashley T.; Tocher, Derek A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044336a","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100082","8.693","0.002","11.595","0.003","22.719","0.006","103.694","0.006","95.94","0.006","90.653","0.005","2211.4","1","293.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C32 H62 Li N2 O2 Pr S2 Si4 -","- C32 H54 Li N2 O2 Pr S2 Si4 -","- C64 H108 Li2 N4 O4 Pr2 S4 Si8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100083","18.305","0.002","24.227","0.002","24.326","0.003","90","","98.52","0.003","90","","10669.3","1.9","193.1","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C78 H118 Cl Li N4 Nd4 S8 Si8 -","- C78 H112 Cl Li N4 Nd4 S8 Si8 -","- C312 H448 Cl4 Li4 N16 Nd16 S32 Si32 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100084","13.7062","0.0011","17.0964","0.0013","19.882","0.002","75.817","0.004","83.698","0.005","77.496","0.004","4401.8","0.6","193.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H100 Cl5 Li N4 O S4 Si8 Sm4 -","- C52 H100 Cl5 Li N4 O S4 Si8 Sm4 -","- C104 H200 Cl10 Li2 N8 O2 S8 Si16 Sm8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100085","12.201","0.003","13.088","0.003","15.082","0.003","101.45","0.003","106.858","0.002","114.631","0.002","1948.8","0.8","193.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 -","- C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 -","- C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100086","13.1658","0.0005","19.81","0.0007","13.5111","0.0005","90","","94.19","0.002","90","","3514.5","0.2","193.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H104 Cl4 Li2 N4 O4 Si8 Sm2 -","- C40 H104 Cl4 Li2 N4 O4 Si8 Sm2 -","- C80 H208 Cl8 Li4 N8 O8 Si16 Sm4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100087","29.486","0.004","29.833","0.004","37.579","0.005","90","","90","","90","","33057","7","153","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H124 Cl Co N13 O31 P -","- C64 H90 Cl Co N13 O31 P -","- C1024 H1440 Cl16 Co16 N208 O496 P16 -","16","4","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja048573p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100088","15.806","0.003","22.471","0.005","25.338","0.005","90","","90","","90","","8999","3","163","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H127 Co N13 O32 P -","- C64 H107 Co N13 O31.9995 P -","- C256 H428 Co4 N52 O127.998 P4 -","4","1","","","Properties and Reactivity of Chlorovinylcobalamin and Vinylcobalamin and Their Implications for Vitamin B~12~-Catalyzed Reductive Dechlorination of Chlorinated Alkenes","Journal of the American Chemical Society","2005","","","","","10.1021/ja048573p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100089","13.788","0.006","10.664","0.005","7.894","0.004","90","","91.77","0.05","90","","1160.1","0.9","180","0.2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 O6 -","- C9 H18 O6 -","- C36 H72 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0464903","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100090","10.838","0.005","31.965","0.015","11.817","0.006","90","","112.987","0.006","90","","3769","3","193","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 N14 O13 Pt S -","- C25 H24.5 N14 O13 Pt S -","- C100 H98 N56 O52 Pt4 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0451620","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100091","10.3067","0.0008","13.3068","0.001","15.1285","0.0011","78.244","0.001","82.033","0.001","70.672","0.001","1911.2","0.2","213","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 N14 O14 Pt S -","- C28 H38.5 N13 O13 Pt S -","- C56 H77 N26 O26 Pt2 S2 -","2","1","","Barry, Colin G.; Day, Cynthia S.; Bierbach, Ulrich","Duplex Promoted Platination of Adenine-N3 in the Minor Groove of DNA. Challenging a Longstanding Bioinorganic Paradigm","Journal of the American Chemical Society","2005","","","","","10.1021/ja0451620","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100092","16.812","0.003","20.01","0.003","21.378","0.004","94.557","0.003","97.004","0.005","109.382","0.003","6677.7","1.9","90","2","","","","","","","","","","4","P -1","-P 1","2","Nickeltetra(n-pentyl)porphyrin","","","- C40 H52 N4 Ni -","- C40 H52 N4 Ni -","- C320 H416 N32 Ni8 -","8","4","","Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A.","Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins","Journal of the American Chemical Society","2005","127","4","1179","1192","10.1021/ja045309n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100093","8.4141","0.0019","13.293","0.003","15.281","0.003","82.965","0.006","81.68","0.006","88.189","0.006","1678.3","0.6","90","2","","","","","","","","","","4","P -1","-P 1","2","Ni(tetra-n-pentyl)porphyrin Polymorph II","","","- C40 H52 N4 Ni -","- C40 H52 N4 Ni -","- C80 H104 N8 Ni2 -","2","1","","Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A.","Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins","Journal of the American Chemical Society","2005","127","4","1179","1192","10.1021/ja045309n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100094","14.931","0.002","9.77","0.0015","14.931","0.002","90","","90.94","","90","","2177.8","0.6","273","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100095","7.0339","0.0008","9.7592","0.0011","16.0454","0.0019","90","","90","","90","","1101.4","0.2","446","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100096","8.1004","0.0008","10.1648","0.0011","13.3393","0.0014","90","","98.399","0.002","90","","1086.6","0.2","193","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100097","12.7483","0.0014","8.5538","0.0009","11.2196","0.0012","90","","96.766","0.002","90","","1214.9","0.2","193","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100098","6.5607","0.0007","12.2817","0.0013","25.088","0.003","88.583","0.002","87.417","0.002","82.263","0.002","2000.7","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O9 -","- C21 H22 N2 O9 -","- C84 H88 N8 O36 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100099","8.3728","0.0013","10.2615","0.0016","18.297","0.003","90","","90","","90","","1572","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044999s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100100","14.856","0.003","9.209","0.003","12.593","0.003","90","","110.039","0.006","90","","1618.5","0.7","193","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044999s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100101","7.8777","0.0015","7.7795","0.0014","13.672","0.003","90","","102.036","0.004","90","","819.5","0.3","213","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H26 Cl N O -","- C15 H26 Cl N O -","- C30 H52 Cl2 N2 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044999s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100102","13.5209","0.0006","15.1921","0.0007","15.0232","0.0006","90","","108.483","0.003","90","","2926.7","0.2","120","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H70 Cl8 Fe2 P2 Pd2 -","- C58 H70 Cl8 Fe2 P2 Pd2 -","- C116 H140 Cl16 Fe4 P4 Pd4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042930e","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100103","27.8066","0.0006","14.6508","0.0003","44.3633","0.0009","90","","91.67","0.002","90","","18065.4","0.7","193","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C184 H150 Cl10 N44 O46 -","- C184 H142 Cl10 N44 O46 -","- C736 H568 Cl40 N176 O184 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0424631","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100104","31.075","0.006","7.395","0.0015","5.866","0.0012","90","","93.97","0.03","90","","1344.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 S -","- C17 H19 S -","- C68 H76 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043189d","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100105","34.243","0.007","7.5118","0.0015","6.0908","0.0012","90","","90","","90","","1566.7","0.5","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H14 S2 -","- C23.08 H14 S1.87 -","- C92.32 H56 S7.48 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043189d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100106","15.141","0.002","16.7","0.004","6.269","0.001","90","","90","","90","","1585.2","0.5","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","- C68 H68 Cl4 N8 O8 -","4","1","","Hideko Koshima","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044472f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100107","11.2352","0.0008","11.5362","0.0008","13.4393","0.0009","65.127","0.001","71.281","0.002","79.797","0.002","1494.92","0.18","153","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C70 H90 N4 -","- C70 H90 N4 -","- C70 H90 N4 -","1","0.5","","Jeremiah A Marsden; MIke M. Haley; Fusen Han","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044175a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100108","13.001","0.002","13.594","0.002","14.847","0.003","112.913","0.004","90.637","0.004","103.57","0.003","2334.1","0.7","153","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 N4 O4 -","- C54 H54 N4 O4 -","- C108 H108 N8 O8 -","2","1","","Jeremiah A Marsden; MIke M. Haley; Fusen Han","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044175a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100109","11.4645","0.001","17.7575","0.0015","13.7191","0.0011","90","","92.69","0.001","90","","2789.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N3 Rh -","- C33 H36 N3 Rh -","- C132 H144 N12 Rh4 -","4","1","","Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050154k","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100110","13.552","0.0011","16.2471","0.0013","16.6517","0.0014","77.66","0.001","68.107","0.001","71.664","0.001","3209.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H75 Ag2 B2 F8 N7 Rh2 -","- C68 H75 Ag2 B F4 N7 Rh2 -","- C136 H150 Ag4 B2 F8 N14 Rh4 -","2","1","","Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050154k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100111","21.9776","0.0019","10.6829","0.0009","21.8444","0.0019","90","","113.597","0.001","90","","4699.9","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H39 Ag3 F9 N4 O9 Rh S3 -","- C38 H39 Ag3 F9 N4 O9 Rh S3 -","- C152 H156 Ag12 F36 N16 O36 Rh4 S12 -","4","1","","Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050154k","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100112","6.6718","0.0014","12.839","0.003","26.802","0.006","90","","90","","90","","2295.8","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N O3 -","- C22 H35 N O3 -","- C88 H140 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051002s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100113","9.639","0.0009","23.908","0.002","38.807","0.004","90","","90","","90","","8943.3","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H104 F6 N10 O15 -","- C80 H104 F6 N10 O15 -","- C320 H416 F24 N40 O60 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051002s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100114","6.4102","0.0003","7.5058","0.0004","17.987","0.0004","83.523","0.004","86.529","0.003","85.458","0.004","856.03","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","2 EDT-TTF(methyloxazoline) AsF6","","","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0503884","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100115","6.3918","0.0007","7.502","0.0009","17.941","0.002","83.197","0.014","86.638","0.014","85.548","0.014","850.6","0.17","293","2","293","2","","","","","","","","7","P 1","P 1","1","2 EDT-TTF-methyloxazoline(R)/1 AsF6","","","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","1","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0503884","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100116","6.3962","0.0007","7.4884","0.0009","17.94","0.002","83.13","0.014","86.579","0.014","85.52","0.014","849.41","0.17","293","2","293","2","","","","","","","","7","P 1","P 1","1","2 EDT-TTF-methyloxazoline(S)/1 AsF6","","","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","1","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0503884","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100117","9.4151","0.0019","17.713","0.004","10.369","0.002","90","","92.19","0.03","90","","1727.9","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H37 F3 O3 P2 Ru S -","- C38 H37 F3 O3 P2 Ru S -","- C76 H74 F6 O6 P4 Ru2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0506410","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100118","10.976","0.002","11.496","0.002","16.223","0.003","96.64","0.03","102.89","0.03","97.58","0.03","1955.7","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H46 F3 N O4 P2 Ru S -","- C41.5 H46 F1.5 N O5.89 P2 Ru S1.13 -","- C83 H92 F3 N2 O11.78 P4 Ru2 S2.26 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0506410","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100119","14.263","0.0018","15.89","0.0016","16.205","0.0015","93.177","0.005","94.693","0.006","95.974","0.006","3632.9","0.7","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H120 Co K O9 Si8 -","- C54 H120 Co K O9 Si8 -","- C108 H240 Co2 K2 O18 Si16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050938y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100120","12.974","0.0007","16.173","0.0009","20.167","0.0007","91.686","0.003","103.374","0.003","100.456","0.002","4037.2","0.3","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C64 H136 Co K N2 O10 Si8 -","- C64 H136 Co K N2 O10 Si8 -","- C128 H272 Co2 K2 N4 O20 Si16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050938y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100121","13.6055","0.0011","18.4233","0.0015","21.069","0.0017","75.016","0.001","83.936","0.001","89.959","0.001","5071.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H82 B F4 N2 O1.5 P2 Ru -","- C51 H82 B F4 N2 O1.5 P2 Ru -","- C204 H328 B4 F16 N8 O6 P8 Ru4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042318n","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100122","16.6552","0.0003","10.3703","0.0001","11.7614","0.0002","90","","90","","90","","2031.42","0.05","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H13 O5 P W -","- C21 H13 O5 P W -","- C84 H52 O20 P4 W4 -","4","0.5","","Borst, Mark L. G.; Bulo, R. E.; Winkel, Christiaan W.; Gibney, Daniele J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","Phosphepines: Convenient Access to Phosphinidene Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja050817y","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100123","8.8819","0.0001","10.268","0.0001","10.9361","0.0001","90","","108.66","0.0004","90","","944.939","0.017","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H18 Mn O2 P -","- C23 H18 Mn O2 P -","- C46 H36 Mn2 O4 P2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050817y","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100124","14.459","0.0009","11.522","0.001","19.651","0.002","90","0","109.542","0.005","90","0","3085.2","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","?","- C35 H31 Cl O4 S2 -","- C140 H124 Cl4 O16 S8 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100125","11.89","0.0006","14.086","0.0004","17.87","0.0009","90","0","90","0","90","0","2992.9","0.2","200","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","?","- C67 H56 Cl F4 O12 -","- C268 H224 Cl4 F16 O48 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100126","11.514","0.0002","15.328","0.0005","18.531","0.0006","78.168","0.001","78.935","0.002","79.867","0.002","3109.6","0.2","200","","","","","","","","","","","5","P -1","-P 1","2","","","","?","- C35.125 H29 Cl1.5 O6 S -","- C140.5 H116 Cl6 O24 S4 -","4","2","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100127","11.335","0.002","11.064","0.002","13.066","0.001","101.128","0.009","102.83","0.01","102.734","0.005","1507.1","0.4","200","","","","","","","","","","","4","P -1","-P 1","2","","","","?","- C35 H29 Cl O7 -","- C70 H58 Cl2 O14 -","2","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100128","15.062","0.0008","20.078","0.001","11.413","0.0004","90","","114.277","0.003","90","","3146.2","0.3","273.2","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 Cl O8 -","- C67 H60 Cl O16 -","- C268 H240 Cl4 O64 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100129","12.73","0.0005","14.609","0.0006","17.689","0.0007","90","","90","","90","","3289.7","0.2","273.2","","298","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 F8 O4 P -","- C67 F16 O8 P -","- C268 F64 O32 P4 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100130","13.507","0.0004","17.866","0.001","14.609","0.0009","90","","91.321","0.003","90","","3524.4","0.3","273.2","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H35 F6 O6 P -","- C37 H35 F6 O6 P -","- C148 H140 F24 O24 P4 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100131","18.461","0.0005","13.905","0.0003","12.337","0.0003","90","","90","","90","","3166.9","0.1","273.2","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H29 Cl3 O6 -","- C35 H29 Cl3 O6 -","- C140 H116 Cl12 O24 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100132","12.845","0.008","17.134","0.01","23.896","0.016","90","","92.11","0.05","90","","5256","6","225","2","225","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C100 H131 B N24 O8 S8 -","- C36 H32 B N20 -","- C72 H64 B2 N40 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042233m","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100133","13.045","0.006","17.151","0.008","24.023","0.008","90","","92.21","0.03","90","","5371","4","205","2","205","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C110 H124 B N20 O4 P S4 -","- C36 H32 B N20 -","- C72 H64 B2 N40 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042233m","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100134","12.601","0.0013","18.1778","0.0017","23.825","0.002","90","","97.436","0.005","90","","5411.4","0.9","220","2","220","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C55 H55 B N22 O -","- C36 H32 B N20 -","- C72 H64 B2 N40 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042233m","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100135","6.4971","0.0018","9.484","0.003","12.703","0.004","81.847","0.004","85.104","0.004","70.768","0.004","731","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 N2 Pd Si2 -","- C26 H32 Cl2 N2 Pd Si2 -","- C26 H32 Cl2 N2 Pd Si2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050713n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100136","14.8055","0.0004","11.5568","0.0003","11.4021","0.0003","90","","91.565","0.002","90","","1950.22","0.09","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H27 Br Cl3 Mo P3 -","- C9 H27 Br Cl3 Mo P3 -","- C36 H108 Br4 Cl12 Mo4 P12 -","4","1","","Francois Stoffelbach; Sébastien Maria; Rinaldo Poli; Philippe Richard; Jean-Claude Daran","Atom transfer radical polymerization catalysis with MoX3(PMe3)3 complexes (X = Cl, Br, I). On the nature and stability of the radical trapping species.","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100137","11.53","0.002","14.853","0.002","12.033","0.002","90","","90","","90","","2060.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4.5 H13.5 Br2 Mo0.5 P1.5 -","- C4.5 H13.5 Br2 Mo0.5 P1.5 -","- C36 H108 Br16 Mo4 P12 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100138","9.1302","0.0009","15.0703","0.0013","18.1518","0.0016","90","","90","","90","","2497.6","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H27 I5 Mo P3 -","- C9 H27 I5 Mo P3 -","- C36 H108 I20 Mo4 P12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100139","9.2861","0.0008","18.0913","0.0015","14.6712","0.001","90","","90","","90","","2464.7","0.3","180","2","180","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C10 H29 Cl2 I3 Mo P3 -","- C10 H29 Cl2 I3 Mo P3 -","- C40 H116 Cl8 I12 Mo4 P12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100140","6.9562","0.0004","7.0192","0.0004","7.6303","0.0004","64.148","0.003","63.131","0.003","81.167","0.004","298.64","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 F2 N2 Pt -","- C10 H8 Cl2 F2 N2 Pt -","- C10 H8 Cl2 F2 N2 Pt -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100141","5.5441","0.0007","7.1432","0.0009","8.6648","0.0011","71.147","0.002","79.634","0.002","85.992","0.002","319.41","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 N2 Pt -","- C10 H8 Cl4 N2 Pt -","- C10 H8 Cl4 N2 Pt -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100142","3.9786","0.0011","12.337","0.003","13.624","0.004","89.538","0.004","83.513","0.004","82.951","0.005","659.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br2 Cl2 N2 Pt -","- C10 H8 Br2 Cl2 N2 Pt -","- C20 H16 Br4 Cl4 N4 Pt2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100143","3.9673","0.0007","8.3332","0.0015","10.1785","0.0017","89.126","0.003","82.341","0.003","78.44","0.003","326.71","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br2 Cl2 N2 Pt -","- C10 H8 Br2 Cl2 N2 Pt -","- C10 H8 Br2 Cl2 N2 Pt -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100144","25.414","0.005","4.2034","0.0009","16.357","0.003","90","","126.464","0.003","90","","1405.3","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl2 I2 N2 Pt -","- C10 H8 Cl2 I2 N2 Pt -","- C40 H32 Cl8 I8 N8 Pt4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100145","3.8484","0.0016","11.719","0.005","15.637","0.007","90","","96.578","0.007","90","","700.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl2 F2 N2 O Pd -","- C11 H8 Cl2 F2 N2 O Pd -","- C22 H16 Cl4 F4 N4 O2 Pd2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100146","3.911","0.003","13.721","0.012","12.029","0.01","90","","94.979","0.017","90","","643.1","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl4 N2 Pd -","- C10 H8 Cl4 N2 Pd -","- C20 H16 Cl8 N4 Pd2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100147","3.9496","0.0007","13.924","0.002","12.034","0.002","90","","93.529","0.003","90","","660.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br2 Cl2 N2 Pd -","- C10 H8 Br2 Cl2 N2 Pd -","- C20 H16 Br4 Cl4 N4 Pd2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100148","4.1501","0.0006","8.4147","0.0011","10.187","0.0013","90.787","0.002","96.369","0.002","101.532","0.002","346.18","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100149","28.4817","0.0006","13.1962","0.0003","18.012","0.0002","90","","90.642","0.001","90","","6769.4","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H106 Mg2 N6 O2 -","- C74 H106 Mg2 N6 O2 -","- C296 H424 Mg8 N24 O8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100150","12.1589","0.0009","14.8318","0.0009","16.6799","0.0013","87.773","0.007","71.894","0.006","67.208","0.006","2624.4","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H37 N3 Zn -","- C29 H37 N3 Zn -","- C116 H148 N12 Zn4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100151","19.9588","0.0008","15.0135","0.0006","18.2663","0.0006","90","","104.037","0.002","90","","5310.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Mg N3 -","- C29 H37 Mg N3 -","- C232 H296 Mg8 N24 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100152","10.2515","0.0002","13.4228","0.0002","20.9001","0.0003","90","","98.53","0.001","90","","2844.12","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 Mg N3 -","- C31 H41 Mg N3 -","- C124 H164 Mg4 N12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100153","13.247","0.0002","17.1969","0.0004","15.0233","0.0003","90","","114.499","0.001","90","","3114.29","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Mg N3 -","- C35 H49 Mg N3 -","- C140 H196 Mg4 N12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100154","22.0188","0.0011","10.7399","0.0004","17.5903","0.0009","90","","102.75","0.01","90","","4057.2","0.3","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C31 H53 B F12 Mn2 N6 O4 P2 -","- C31 H53 B F12 Mn2 N6 O4 P2 -","- C124 H212 B4 F48 Mn8 N24 O16 P8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","0.0526","","","0.109","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100155","11.311","0.002","12.638","0.002","16.855","0.003","101.11","0.02","108.28","0.02","103.46","0.02","2130.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H58 B Cl2 Mn2 N8 O15 -","- C31 H56 B Cl2 Mn2 N8 O15 -","- C62 H112 B2 Cl4 Mn4 N16 O30 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100156","17.0472","0.0006","12.1525","0.0004","18.6112","0.0006","90","","90","","90","","3855.6","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H57 Cl2 Mn2 N7 O13 -","- C28 H57 Cl2 Mn2 N7 O13 -","- C112 H228 Cl8 Mn8 N28 O52 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100157","12.6006","0.0004","13.6769","0.0006","23.4457","0.0008","73.87","0.01","84.33","0.01","65.24","0.01","3524","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H98 B2 Mn2 N8 O5 -","- C77 H98 B2 Mn2 N8 O5 -","- C154 H196 B4 Mn4 N16 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100158","15.787","0.0019","15.787","0.0019","51.509","0.013","90","","90","","120","","11118","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C27 H33 In N4 O8 -","- C25.1673 H6 In N3.636 O8 -","- C453.012 H108 In18 N65.448 O144 -","18","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051259q","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100159","14.4111","0.0013","16.0466","0.0014","16.7388","0.0015","114.216","0.002","95.441","0.002","91.595","0.002","3504.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H139 In6 N21 O60 -","- C117.24 H128.92 In6 N20.4 O58.42 -","- C117.24 H128.92 In6 N20.4 O58.42 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051259q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100160","17.1741","0.0005","17.1741","0.0005","28.797","0.001","90","","90","","90","","8493.8","0.5","173.2","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H30 O2 Si W -","- C20 H30 O2 Si W -","- C320 H480 O32 Si16 W16 -","16","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050441o","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100161","9.664","0.003","18.513","0.005","15.988","0.004","90","","93.601","0.001","90","","2854.8","1.4","173.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 O2 Si W -","- C31 H36 O2 Si W -","- C124 H144 O8 Si4 W4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050441o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100162","13.37","0.003","10.309","0.002","21.3","0.004","90","","90.762","0.001","90","","2935.6","1","173.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 O3 Si W -","- C33 H40 O3 Si W -","- C132 H160 O12 Si4 W4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050441o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100163","8.396","0.007","14.281","0.011","16.138","0.013","68.477","0.007","84.072","0.007","86.267","0.007","1790","2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H44 Cl2 Cu F6 N6 O3 P -","- C31 H44 Cl2 Cu F6 N6 O3 P -","- C62 H88 Cl4 Cu2 F12 N12 O6 P2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044093m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100164","15.31","0.005","19.927","0.006","28.867","0.009","90","0.0017","94.6626","0.0018","90","0.0017","8778","5","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C107 H110 N4 Pd -","- C107.02 H110 N4 Pd -","- C428.08 H440 N16 Pd4 -","4","1","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100165","32.121","0.015","13.23","0.005","25.781","0.012","90","0.0011","125.41","0.0017","90","0.0011","8929","7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H102 Cl2 N4 O4 Pd -","- C99 H92 Cl8 N4 O4 Pd -","- C396 H368 Cl32 N16 O16 Pd4 -","4","0.5","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100166","34.854","0.004","17.0305","0.0011","30.778","0.003","90","0.0009","114.649","0.0011","90","0.0009","16605","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H102 N4 O3 Pd -","- C100 H102 N4 O3 Pd -","- C800 H816 N32 O24 Pd8 -","8","1","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100167","10.6977","0.001","17.3256","0.0017","16.045","0.002","90","","95.821","0.004","90","","2958.5","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H45 Cl N Rh Si -","- C31 H45 Cl N Rh Si -","- C124 H180 Cl4 N4 Rh4 Si4 -","4","1","","Yves. Canac, Salvador. Conejero; Bruno Donnadieu, Guy. Bertrand; Wolfang. W. Schoeller","Persistent (Amino)(Silyl)Carbenes","Journal of the American Chemical Society","2005","","","","","10.1021/ja051109f","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100168","16.92","0.014","19.249","0.015","17.148","0.013","90","","108.045","0.015","90","","5310","7","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 Cl2 N2 O4 Rh2 Si2 -","- C50 H66 Cl2 N2 O4 Rh2 Si2 -","- C200 H264 Cl8 N8 O16 Rh8 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051109f","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100169","12.57","0.003","17.252","0.004","25.295","0.006","90","","90","","90","","5486","2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Cl N2 O2 Ru S -","- C30 H31 Cl N2 O2 Ru S -","- C240 H248 Cl8 N16 O16 Ru8 S8 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051486s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100170","8.812","0.001","37.845","0.002","12.032","0.001","90","","97.06","0.01","90","","3982","1","100","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 Al N2 O2 Yb -","- C44 H62 Al N2 O2 Yb -","- C176 H248 Al4 N8 O8 Yb4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100171","8.85","0.001","37.991","0.005","12.072","0.003","90","","97.07","0.03","90","","4028","1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 Al Er N2 O2 -","- C44 H62 Al Er N2 O2 -","- C176 H248 Al4 Er4 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100172","8.854","0.001","37.975","0.002","12.106","0.001","90","","97.17","0.01","90","","4039","1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 Al Dy N2 O2 -","- C44 H62 Al Dy N2 O2 -","- C176 H248 Al4 Dy4 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100173","9.13","0.002","12.498","0.003","42.211","0.008","90","","93.36","0.03","90","","4808","2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H70 Al N2 O Yb -","- C54 H70 Al N2 O Yb -","- C216 H280 Al4 N8 O4 Yb4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100174","10.188","0.002","19.669","0.004","10.536","0.002","90","","109.43","0.03","90","","1991","1","133","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H60 Al Dy N2 O -","- C45 H60 Al Dy N2 O -","- C90 H120 Al2 Dy2 N4 O2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100175","10.214","0.001","19.606","0.001","10.556","0.001","90","","109.37","0.01","90","","1994","1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H60 Al N2 O Sm -","- C45 H60 Al N2 O Sm -","- C90 H120 Al2 N4 O2 Sm2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100176","8.288","0.002","16.18","0.006","10.394","0.002","90","","98.53","0.02","90","","1378","1","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 O2 Sn2 Yb2 -","- C26 H38 O2 Sn2 Yb2 -","- C52 H76 O4 Sn4 Yb4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100177","16.326","0.002","9.565","0.001","23.801","0.004","90","","94.17","0.01","90","","3707","1","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 N2 Yb -","- C42 H58 N2 Yb -","- C168 H232 N8 Yb4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100178","17.12","0.003","18.184","0.004","12.887","0.003","90","","104.48","0.03","90","","3884","1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 Cl N3 Si2 Yb -","- C35 H59 Cl N3 Si2 Yb -","- C140 H236 Cl4 N12 Si8 Yb4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100179","11.0401","0.001","15.2369","0.0019","25","0.002","90","","90","","90","","4205.5","0.8","150","2","150","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C40 H35 B Cl4 F4 Mn N O4 P2 -","- C40 H35 B Cl4 F4 Mn N O4 P2 -","- C160 H140 B4 Cl16 F16 Mn4 N4 O16 P8 -","4","1","","Marta E. G. Mosquera","Crystal structure of compound 7","Journal of the American Chemical Society","2005","","","","","10.1021/ja042879e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100180","24.315","0.006","13.85","0.004","21.742","0.006","90","","90","","90","","7322","3","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C40 H100 Cl N5 O36 V14 -","- C40 Cl N5 O36 V14 -","- C160 Cl4 N20 O144 V56 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0422209","","","","","","","","","","","","","","","","","","","","","has coordinates","134573","2020-10-21","18:00:00",""
"4100181","9.9186","0.0006","11.3368","0.0006","11.9916","0.0006","89.263","0.002","67.54","0.002","80.873","0.002","1228.66","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N2 O7 S -","- C23 H28 N2 O7 S -","- C46 H56 N4 O14 S2 -","2","1","","Sammis, Glenn M.; .; Ho, Douglas M.; Sorensen, Erik J.; .","N'-(6-Acetyl-3-methyl-5-phenylcyclohex-2-enyl)-N'-methanesulfonyl- hydrazinedicarboxylic Acid Diallyl Ester","Journal of the American Chemical Society","2005","","","","","10.1021/ja052383c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100182","10.358","0.001","10.358","0.001","10.358","0.001","90","0.009","90","0.009","90","0.009","1111.3","0.3","293","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ga4 Se32 Ta16 -","- Ga4 Se32 Ta16 -","- Ga4 Se32 Ta16 -","1","0.0104167","","Pocha, R.; Johrendt, D.; Ni, B.; Abd.Elmeguid, M.M.","Crystal Structures, Electronic Properties and Presure Induced Superconductivity of the Tetrahedral Cluster Compounds GaNb4S8, GaNb4Se8 and GaTa4Se8","Journal of the American Chemical Society","2005","","","","","10.1021/ja050243x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100183","9.985","0.002","9.985","0.002","9.985","0.002","90","0.009","90","0.009","90","0.009","995.5","0.6","293","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ga4 Nb16 S32 -","- Ga4 Nb16 S32 -","- Ga4 Nb16 S32 -","1","0.0104167","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050243x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100184","12.6109","0.0005","13.6479","0.0004","20.6566","0.0008","102.68","0.003","100.168","0.003","107.999","0.002","3182.3","0.2","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H50 Cl4 O4 Ru2 -","- C75 H50 Cl4 O4 Ru2 -","- C150 H100 Cl8 O8 Ru4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051576x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100185","7.9216","0.0004","10.1467","0.0004","19.4333","0.0008","100.89","0.003","90.896","0.004","97.498","0.003","1519.46","0.12","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 I O2 Ru -","- C37 H25 I O2 Ru -","- C74 H50 I2 O4 Ru2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051576x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100186","13.8174","0.0016","20.133","0.005","20.818","0.002","90","","90","","90","","5791.3","1.7","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H26 O2 Ru -","- C37 H26 O2 Ru -","- C296 H208 O16 Ru8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051576x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100187","7.4716","0.0008","8.133","0.001","20.356","0.002","97.94","0.01","93.89","0.01","104.08","0.01","1181.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 S4 -","- C22 H26 N2 S4 -","- C44 H52 N4 S8 -","2","1","","Javier Garin","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051819l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100188","8.2219","0.0008","9.2783","0.0009","15.7089","0.0015","99.007","0.002","91.117","0.002","97.868","0.002","1171.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 Br O6 -","- C27 H24 Br O6 -","- C54 H48 Br2 O12 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0509984","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100189","7.7032","0.0011","10.0741","0.0014","20.765","0.003","88.043","0.003","81.558","0.003","69.923","0.002","1496.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 Br O6 -","- C33 H35 Br O6 -","- C66 H70 Br2 O12 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0509984","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100190","16.926","0.004","16.926","0.004","38.794","0.016","90","","90","","90","","11114","6","220","2","220","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C102 H120 O44 Si3 -","- C102 H120 O44 Si3 -","- C408 H480 O176 Si12 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100191","16.994","0.007","16.994","0.007","37.344","0.006","90","","90","","90","","10785","7","220","2","220","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34 H36 O12 Si -","- C24 H20 O8 Si -","- C288 H240 O96 Si12 -","12","0.75","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100192","17.3347","0.0008","17.3347","0.0008","36.855","0.003","90","","90","","90","","11074.8","1.1","220","2","220","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C24 H20 O8 Si -","- C24 H20 O8 Si -","- C480 H400 O160 Si20 -","20","1.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100193","17.106","0.005","17.106","0.005","38.635","0.005","90","","90","","90","","11305","5","220","2","220","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C112 H140 O34 Si3 -","- C112 H140 O34 Si3 -","- C448 H560 O136 Si12 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100194","17.05","0.005","17.05","0.005","37.082","0.009","90","","90","","90","","10780","5","220","2","220","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34.66667 H41.33333 O13.33333 Si -","- C24 H20 O8 Si -","- C288 H240 O96 Si12 -","12","0.75","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100195","10.411","0.0006","16.5299","0.001","17.004","0.001","68.432","0.002","83.805","0.002","71.927","0.002","2587","0.3","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H53 N8 Ru2 S Si -","- C57 H53 N8 Ru2 S Si -","- C114 H106 N16 Ru4 S2 Si2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052604e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100196","12.3129","0.0003","12.915","0.0003","21.3187","0.0005","90","","100.849","0.001","90","","3329.53","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 D8 N5 O4 Zr -","- C30 H37 D8 N5 O4 Zr -","- C120 H148 D32 N20 O16 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527976","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100197","10.442","0.002","10.423","0.002","18.967","0.004","91.734","0.004","97.363","0.004","91.588","0.004","2045.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N2 O -","- C27 H20 N2 O -","- C108 H80 N8 O4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0508727","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100198","9.7716","0.0015","10.2228","0.0016","12.723","0.002","91.335","0.003","98.148","0.003","91.295","0.003","1257.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0508727","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100199","11.896","0.003","11.812","0.003","12.988","0.003","90","","90.592","0.004","90","","1824.8","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H46 N6 O2 -","- C42 H46 N6 O2 -","- C84 H92 N12 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051075b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100200","31.635","0.003","7.6556","0.0007","22.102","0.002","90","","133.882","0.001","90","","3858.1","0.6","213","2","213","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H52 Br2 N4 Ni -","- C40 H52 Br2 N4 Ni -","- C160 H208 Br8 N16 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052935r","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100201","5.574","0.003","7.673","0.004","27.77","0.013","90","","90","","90","","1187.7","0.9","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Br N O3 -","- C11 H12 Br N O3 -","- C44 H48 Br4 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052935r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100202","13.234","0.0006","13.33","0.0007","18.384","0.0009","87.916","0.003","76.263","0.003","60.692","0.002","2734.9","0.2","120","0.1","120","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C45 H103 Si7 -","- C45 H103 Si7 -","- C90 H206 Si14 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053202+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100203","39.64","0.0003","13.649","0.001","20.009","0.0017","90","","90","","90","","10825.8","1.2","120","0.1","120","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C95 H151 B F16 Si10 -","- C95 H151 B F16 Si10 -","- C380 H604 B4 F64 Si40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053202+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100204","30.746","0.002","13.5846","0.0008","14.3291","0.0009","90","","109.851","0.002","90","","5629.3","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H45 Ga6 N4 O42 P9 Zn3 -","- C18.68 Ga6.19 N3 O39.74 P9 Zn2.82 -","- C74.72 Ga24.76 N12 O158.96 P36 Zn11.28 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512879","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100205","30.748","0.006","13.534","0.003","14.31","0.003","90","","109.733","0.005","90","","5605","2","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H45 Ga6 N4 O42 P9 Zn3 -","- C24 Ga5.914 N4 O43.11 P9 Zn3.08 -","- C96 Ga23.656 N16 O172.44 P36 Zn12.32 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512879","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100206","16.0236","0.001","16.0236","0.001","16.0236","0.001","74.445","0.001","74.445","0.001","74.445","0.001","3732","0.4","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C84.5 H111 N3 O3.5 U -","- C84 H111 N4 O3 U -","- C168 H222 N8 O6 U2 -","2","0.333333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100207","16.1204","0.0017","16.1204","0.0017","16.1204","0.0017","73.85","0.002","73.85","0.002","73.85","0.002","3772.4","0.7","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C28 H37 N1.5 O U0.33 -","- C28 H37 N1.5 O U0.333333 -","- C168 H222 N9 O6 U2 -","6","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100208","27.6121","0.0011","27.6121","0.0011","31.7727","0.0018","90","","90","","90","","24224.4","1.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C61 H100 N3 O4 U -","- C61 H100 N3 O4 U -","- C976 H1600 N48 O64 U16 -","16","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100209","13.7443","0.0002","13.7443","0.0002","60.7777","0.0002","90","","90","","120","","9943.1","0.2","220","2","220","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C38 H43 O8.5 S3 -","- C33 H28 O6 S3 -","- C396 H336 O72 S36 -","12","0.666667","","Song, Qiuling; Ho, Douglas M.; Pascal Jr.; Robert A.","A Sterically Congested in-Methylcyclophane","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100210","8.822","0.003","16.4","0.005","17.952","0.006","90","","100.581","0.008","90","","2553.2","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","{Me2NN]Ni(2,4-lutidine)","","","- C28 H34 N3 Ni -","- C28 H34 N3 Ni -","- C112 H136 N12 Ni4 -","4","1","","Kogut, E.; Wiencko, H. L.; Zhang, L; Cordeau, D. E.; Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100211","11.544","0.004","14.664","0.002","16.55","0.004","90","","106.65","0.02","90","","2684","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Me3NN]Ni(2,4-lutidine)","","","- C30 H38 N3 Ni -","- C30 H38 N3 Ni -","- C120 H152 N12 Ni4 -","4","1","","Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.;Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100212","10.749","0.004","15.625","0.007","33.698","0.015","90","","98.613","0.013","90","","5596","4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","{[Me2NN]Ni}2(m-NAd)","","","- C52 H65 N5 Ni2 -","- C52 H65 N5 Ni2 -","- C208 H260 N20 Ni8 -","4","1","","Kogut, E.; Wiencko, H. L.; Zhang, L; Cordeau, D. E.; Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100213","17.0088","0.0011","9.2319","0.0006","19.0881","0.0012","90","","90","","90","","2997.3","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","[Me3NN]Ni=NAd","","","- C33 H44 N3 Ni -","- C33 H44 N3 Ni -","- C132 H176 N12 Ni4 -","4","0.5","","Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.; Warren, Timothy H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100214","10.9909","0.0009","29.777","0.002","11.2275","0.0009","90","","90","","90","","3674.5","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Me3NN]Ni-NAd(h4-C5H5CoCp)","","","- C43 H54 Co N3 Ni -","- C43 H54 Co N3 Ni -","- C172 H216 Co4 N12 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100215","25.992","0.006","25.992","0.006","10.506","0.003","90","","90","","90","","7098","3","273","2","273","2","","","","","","","","4","P -4 21 c","P -4 2n","114","[Me3NN]Ni-NHAd","","","- C33 H45 N3 Ni -","- C33 H45 N3 Ni -","- C264 H360 N24 Ni8 -","8","1","","Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.; Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100216","6.552","0.0003","38.443","0.0003","8.845","0.0003","90","","95.89","0.02","90","","2216.11","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H55 N O10 -","- C48 H55 N O10 -","- C96 H110 N2 O20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0537068","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100217","8.775","0.0017","10.558","0.002","15.442","0.003","89.165","0.004","79.929","0.004","67.509","0.003","1299.3","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H24 B Cl3 Mo N6 O5 -","- C22 H24 B Cl3 Mo N6 O5 -","- C44 H48 B2 Cl6 Mo2 N12 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0538132","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100218","11.203","0.0002","13.3349","0.0002","14.7243","0.0003","95.661","0.001","96.933","0.001","103.407","0.001","2105.74","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 N2 O3 S -","- C20 H30 N2 O3 S -","- C80 H120 N8 O12 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051104i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100219","10.102","0.002","14.204","0.003","17.338","0.004","83.31","0.03","83.62","0.03","88.11","0.03","2455.1","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 Mn4 N10 O22.5 -","- C36 H44 Mn4 N10 O22.5 -","- C72 H88 Mn8 N20 O45 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050994z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100220","8.1041","0.0009","9.669","0.001","13.2092","0.0014","90","","94.113","0.002","90","","1032.39","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Ir N O4 -","- C21 H24 Ir N O4 -","- C42 H48 Ir2 N2 O8 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051532o","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100221","8.3752","0.0012","19.188","0.003","14.088","0.002","90","","96.132","0.002","90","","2251","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Ir N O4 -","- C23 H28 Ir N O4 -","- C92 H112 Ir4 N4 O16 -","4","1","","Periana, R. A.; Bhalla, G","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051532o","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100222","9.828","0.003","18.793","0.005","25.558","0.007","75.083","0.007","86.603","0.007","80.683","0.006","4501","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H119 Co2 Cr2 N8 O12 -","- C96 H111 Co2 Cr2 N8 O12 -","- C192 H222 Co4 Cr4 N16 O24 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051874u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100223","13.4908","0.0014","19.0632","0.0017","20.867","0.002","90","","96.607","0.002","90","","5330.9","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H55 Cl6 N7 O7 S -","- C48 H55 Cl6 N7 O7 S -","- C192 H220 Cl24 N28 O28 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0522938","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100224","17.5831","0.0005","15.311","0.0005","18.6423","0.0007","90","","114.702","0.002","90","","4559.5","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H52 N10 O2 -","- C47 H46 N8 O2 -","- C188 H184 N32 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0522938","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100225","9.75","0.01","10.807","0.012","12.172","0.01","103.37","0.08","95.24","0.08","113.1","0.08","1123.7","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C52 H48 N4 O8 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518880","","","","","","","0.0355","","","0.1044","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100226","10.155","0.008","14.69","0.014","17.696","0.016","113.53","0.07","101.53","0.07","90.01","0.07","2362.1","3.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C104 H96 N8 O16 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518880","","","","","","","0.0386","","","0.0879","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100227","9.8027","0.0003","9.5376","0.0003","21.8327","0.0007","90","","100.932","0.002","90","","2004.19","0.11","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 I2 O10 P2 Zn2 -","- C34 H40 I2 O10 P2 Zn2 -","- C68 H80 I4 O20 P4 Zn4 -","2","0.5","","Charette, André B.; Poulard, Cyril; Bélanger-Gariépy, Francine","Structure of CHAR91","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100228","10.2202","0.0008","10.8186","0.0008","31.611","0.002","90","","97.093","0.002","90","","3468.4","0.5","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H98 B2 Li2 O8 -","- C78 H98 B2 Li2 O8 -","- C156 H196 B4 Li4 O16 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100229","12.3265","0.0006","12.3265","0.0006","29.6626","0.0019","90","","90","","90","","4507","0.4","133","2","133","2","","","","","","","","5","P 41","P 4w","76","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C28 H24 Br Cl6 S16 -","- C112 H96 Br4 Cl24 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100230","12.4007","0.0003","12.4007","0.0003","29.8325","0.001","90","","90","","90","","4587.6","0.2","270","2","270","2","","","","","","","","5","P 41","P 4w","76","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C27.8 H16 Br Cl6 S16 -","- C111.2 H64 Br4 Cl24 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100231","12.3954","0.0014","12.3954","0.0014","29.811","0.005","90","","90","","90","","4580.3","1.1","170","2","170","2","","","","","","","","5","P 41","P 4w","76","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C28 H24 Br Cl3.55 S16 -","- C112 H96 Br4 Cl14.2 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100232","13.0074","0.0015","5.5271","0.0006","17.063","0.002","90","","106.658","0.002","90","","1175.2","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C46 H70 N2 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100233","10.0876","0.0007","15.55","0.001","30.996","0.002","90","","90","","90","","4862.2","0.6","158.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H30 Cl2 N4 O5 P Re -","- C48 H51 Cl6 N3 O4 P Re -","- C192 H204 Cl24 N12 O16 P4 Re4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100234","10.9212","0.001","5.3916","0.0005","17.0437","0.0016","90","","90.27","0.003","90","","1003.57","0.16","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Evans, P. Andrew; Lai, Kwong Wah; Sawyer, James R.","Regio- and Enantioselective Intermolecular Rhodium-Catalyzed [2+2+2] Carbocyclization Reactions of 1,6-Enynes with Methyl Arylpropiolates","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100235","9.792","0.0005","11.3547","0.0005","21.4063","0.0011","88.0654","0.0016","79.5006","0.0018","89.938","0.004","2338.8","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C43.5 H60 F N2 O7 P -","- C43 H38 F N2 O7 P -","- C86 H76 F2 N4 O14 P2 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100236","11.2661","0.0002","16.8443","0.0002","30.1188","0.0005","90","","90","","90","","5715.63","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C55 H87 O10 P -","- C55 H87 O10 P -","- C220 H348 O40 P4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100237","9.3397","0.0002","11.4953","0.0003","12.0017","0.0003","79.242","0.002","83.47","0.002","80.402","0.002","1243.62","0.05","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N O5 -","- C28 H33 N O5 -","- C56 H66 N2 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100238","17.3357","0.0003","18.3236","0.0004","11.5161","0.0005","90","","92.498","0.0013","90","","3654.64","0.19","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 N2 O7 S -","- C41 H46 N2 O7 S -","- C164 H184 N8 O28 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100239","11.1857","0.0002","12.2691","0.0003","16.4143","0.0004","87.112","0.001","74.288","0.001","76.143","0.001","2105.14","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H53 N2 O7 S -","- C47 H53 N2 O7 S -","- C94 H106 N4 O14 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100240","8.8203","0.0005","12.4682","0.0003","16.9791","0.0002","102.634","0.001","90.79","0.001","98.378","0.001","1800.57","0.11","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H45 N3 O8 -","- C38 H44.76 N3 O8 -","- C76 H89.52 N6 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100241","9.0359","0.0004","12.6771","0.0006","14.4654","0.0007","87.72","0.002","78.039","0.002","79.337","0.002","1593.03","0.13","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C34.5 H42 N2 O8.5 -","- C34.5 H42 N2 O8.5 -","- C69 H84 N4 O17 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100242","11.0603","0.0009","14.4019","0.0011","15.575","0.0012","90","","103.891","0.001","90","","2408.4","0.3","90","","90","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C94 H14 S4 Sc3 -","- C94 H14 S4 Sc2.996 -","- C188 H28 S8 Sc5.992 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201210","2020-10-21","18:00:00",""
"4100243","16.0353","0.0015","25.543","0.002","15.0618","0.0014","90","","90","","90","","6169.2","1","90","","90","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C109 H50 N S2 Sc3 -","- C109 H50 N S2 Sc2.9956 -","- C436 H200 N4 S8 Sc11.9824 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100244","6.5893","0.0013","5.4676","0.0011","18.392","0.003","90","","96.499","0.006","90","","658.4","0.2","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 O3 S -","- C10.9991 H17.9979 N4 O3 S0.9997 -","- C21.9982 H35.9958 N8 O6 S1.9994 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100245","6.0389","0.0007","7.2672","0.0009","12.9258","0.0015","90","","99.908","0.002","90","","558.8","0.11","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 O5 -","- C8 H16 N4 O5 -","- C16 H32 N8 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100246","12.24","0.003","21.081","0.005","6.1137","0.0014","90","","90","","90","","1577.6","0.6","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H22 N4 O4 -","- C12 H22 N4 O4 -","- C48 H88 N16 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100247","4.8451","0.0018","18.326","0.007","8.678","0.003","90","","104.029","0.007","90","","747.5","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H20 N4 O8 -","- C10 H20 N4 O8 -","- C20 H40 N8 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100248","4.9316","0.0007","15.472","0.002","8.6253","0.0013","90","","99.102","0.004","90","","649.84","0.17","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H16 N4 O5 -","- C11 H16 N4 O5 -","- C22 H32 N8 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100249","9.283","0.002","18.035","0.004","8.549","0.002","90","","90","","90","","1431.2","0.6","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H42 N8 O9 -","- C22 H42 N8 O9 -","- C44 H84 N16 O18 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100250","11.839","0.017","17.17","0.02","27.07","0.08","90","","92.689","0.019","90","","5497","19","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H74 N4 O8 Pd -","- C62 H74 N4 O8 Pd -","- C248 H296 N16 O32 Pd4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100251","16.191","0.015","24.3","0.02","30.66","0.05","105.54","0.05","101.08","0.05","90.607","0.011","11381","24","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.5 H77 N4 O8.5 Pd -","- C63.5 H75.5 N4 O8.5 Pd -","- C508 H604 N32 O68 Pd8 -","8","4","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100252","11.3837","0.0006","36.2251","0.0019","13.6178","0.0008","90","","97.838","0.003","90","","5563.2","0.5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H74 N4 O8 Pd -","- C62 H74 N4 O8 Pd -","- C248 H296 N16 O32 Pd4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100253","24.017","0.002","12.684","0.001","13.349","0.001","90","","114.421","0.002","90","","3702.7","0.7","146.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 F6 O6 Pt S2 -","- C13 H15 F6 O6 Pt S2 -","- C104 H120 F48 O48 Pt8 S16 -","8","1","","Dmitry Karshtedt","Platinum-Based Catalysts for the Hydroamination of Olefins with Sulfonamides","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100254","12.013","0.009","8.448","0.006","15.988","0.012","90","","104.015","0.013","90","","1574.3","1.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H42 N2 O8 -","- C33 H42 N2 O8 -","- C66 H84 N4 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100255","15.5378","0.0012","15.5378","0.0012","27.043","0.004","90","","90","","90","","6528.9","1.2","27","2","27","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C232 H172 Cl68 N32 O2 Ru8 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100256","15.7834","0.0005","15.7834","0.0005","27.0879","0.0017","90","","90","","90","","6748","0.5","300","2","300","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C232 H172 Cl68 N32 O2 Ru8 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100257","19.4501","0.001","19.4501","0.001","28.922","0.003","90","","90","","120","","9475.6","1.2","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","05090","","","- C24.5 H61 Cl13 Cu3 F18 N6 S2 Sb3 -","- C24.51 H61.02 Cl13.02 Cu3 F18 N6 S2 Sb3 -","- C147.06 H366.12 Cl78.12 Cu18 F108 N36 S12 Sb18 -","6","0.333333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100258","12.81","0.005","24.332","0.005","18.638","0.005","90","","90","","90","","5809","3","173","2","173","2","","","","","","","","8","C 2 2 21","C 2c 2","20","05073","","","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C132 H288 Cl24 Cu12 F72 N24 P12 S8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100259","10.9433","0.0007","13.8349","0.001","14.3122","0.0008","72.949","0.005","78.142","0.004","75.68","0.005","1986.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H110 Br2 N2 O4 Ru2 S8 -","- C74 H110 Br2 N2 O4 Ru2 S8 -","- C74 H110 Br2 N2 O4 Ru2 S8 -","1","0.5","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","208160","2020-10-21","18:00:00",""
"4100260","9.4625","0.0008","9.9173","0.0007","16.7418","0.0008","99.58","0.005","92.874","0.005","101.063","0.006","1514.91","0.18","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C65 H76 N2 O2 Ru S4 Si2 -","- C65 H76 N2 O2 Ru S4 Si2 -","- C65 H76 N2 O2 Ru S4 Si2 -","1","1","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","208164","2020-10-21","18:00:00",""
"4100261","11.3865","0.0002","28.604","0.0005","17.1645","0.0003","90","","92.782","0.002","90","","5583.88","0.17","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 Br Cl2 N3 O Ru S4 Si2 -","- C58 H48 Br Cl2 N3 O Ru S4 Si2 -","- C232 H192 Br4 Cl8 N12 O4 Ru4 S16 Si8 -","4","1","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100262","19.8857","0.0004","10.9211","0.0002","26.5136","0.0005","90","","98.956","0.001","90","","5687.9","0.2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C61 H57 Br N3 O2 Ru S4 Si2 -","- C61 H57 Br N3 O2 Ru S4 Si2 -","- C244 H228 Br4 N12 O8 Ru4 S16 Si8 -","4","0.5","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100263","25.048","0.002","11.7172","0.001","15.9494","0.0014","90","","94.255","0.002","90","","4668.1","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 Br Cl2 N Ni0.5 -","- C25 H25 Br Cl2 N Ni0.5 -","- C200 H200 Br8 Cl16 N8 Ni4 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100264","10.5395","0.0018","14.49","0.003","19.322","0.004","90","","90","","90","","2950.7","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 B10 Cl Li O2 Zr -","- C20 H40 B10 Cl Li O2 Zr -","- C80 H160 B40 Cl4 Li4 O8 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100265","10.556","0.002","24.47","0.0013","13.1219","0.0016","90","","90","","90","","3389.3","0.8","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C29 H50 B10 N2 O Zr -","- C29 H50 B10 N2 O Zr -","- C116 H200 B40 N8 O4 Zr4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100266","10.8276","0.0006","11.4701","0.0007","11.7051","0.0007","72.599","0.001","78.075","0.001","86.91","0.001","1357.19","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 B10 N3 O Zr -","- C22 H33 B10 N3 O Zr -","- C44 H66 B20 N6 O2 Zr2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100267","11.4402","0.0009","22.1976","0.0018","15.326","0.0012","90","","91.335","0.002","90","","3890.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H51 B10 N3 O0.5 Zr -","- C29 H51 B10 N3 O0.5 Zr -","- C116 H204 B40 N12 O2 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100268","11.009","0.002","11.266","0.002","22.931","0.005","90","","90","","90","","2844.2","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 B10 N2 Zr -","- C26 H30 B10 N2 Zr -","- C104 H120 B40 N8 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100269","5.4939","0.0011","11.115","0.002","15.503","0.003","90","","90","","90","","946.7","0.3","150","2","150","2","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- Bi4 Mn2.7 Ni1.3 O12 -","- Bi4 Mn2.72 Ni1.28 O12 -","- Bi16 Mn10.88 Ni5.12 O48 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100270","11.5598","0.0011","17.1877","0.0019","19.413","0.002","89.31","0.003","86.152","0.003","83.293","0.003","3822.1","0.7","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H36 S11 -","- C40 H36 S11 -","- C160 H144 S44 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100271","16.309","0.004","8.446","0.002","22.011","0.005","90","","94.396","0.006","90","","3022.9","1.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 S7 -","- C32 H36 S7 -","- C128 H144 S28 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100272","12.236","0.003","23.692","0.006","10.969","0.003","90","","90","","90","","3179.9","1.3","193","2","193","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C17 H28 O2 -","- C17 H28 O2 -","- C136 H224 O16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100273","8.6513","0.0014","9.3877","0.0015","19.313","0.003","90","","90","","90","","1568.5","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O2 -","- C17 H28 O2 -","- C68 H112 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100274","7.6245","0.0009","9.0143","0.0011","11.5451","0.0014","100.447","0.002","101.757","0.002","98.479","0.002","749.82","0.16","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C34 H52 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100275","6.431","0.002","17.308","0.006","16.719","0.006","90","","90.93","0.01","90","","1860.7","1.1","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","compound 24","","","- C40 H54 B N O4 Si -","- C40 H54 B N O4 Si -","- C80 H108 B2 N2 O8 Si2 -","2","1","","Biljana Peric Simov; Frank Wuggenig; Kurt Mereiter; Hendrik Andres; Julien France; Peter Schnelli; Friedrich Hammerschmidt","Direct Chemical Synthesis of Chiral Methanol of 98% ee Isolated as its 3,5-Dinitrobenzoate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100276","9.439","0.001","25.767","0.001","9.547","0.001","90","","113.02","0.01","90","","2137.1","0.3","198","2","198","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H53 Cl2 Co N3 O -","- C46 H53 Cl2 Co N3 O -","- C92 H106 Cl4 Co2 N6 O2 -","2","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100277","9.872","0.001","27.669","0.001","13.89","0.001","90","","96.96","0.01","90","","3766.1","0.5","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 Cl Co N3 -","- C43 H47 Cl Co N3 -","- C172 H188 Cl4 Co4 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100278","8.775","0.001","22.971","0.001","15.634","0.001","90","","101.2","0.01","90","","3091.3","0.4","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Cl Co N3 -","- C33 H43 Cl Co N3 -","- C132 H172 Cl4 Co4 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100279","20.027","0.001","12.241","0.001","25.895","0.001","90","","93.75","0.01","90","","6334.6","0.7","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H53 B Br Co F20 N4 -","- C68 H53 B Br Co F20 N4 -","- C272 H212 B4 Br4 Co4 F80 N16 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100280","19.736","0.002","11.967","0.001","16.077","0.002","90","","106.03","0.01","90","","3649.4","0.7","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 N3 -","- C43 H47 N3 -","- C172 H188 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100281","13.521","0.001","16.29","0.001","19.298","0.001","90","","98.26","0.01","90","","4206.4","0.5","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H51 Cl2 Fe N3 -","- C46.5 H51 Cl2 Fe N3 -","- C186 H204 Cl8 Fe4 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219032","2020-10-21","18:00:00",""
"4100282","27.0925","0.001","27.0925","","8.2461","0.0003","90","","90","","90","","6052.7","0.3","117","1","117","1","","","","","","","","4","I -4","I -4","82","","","","- C33 H43 N3 O2 -","- C33 H43 N3 O2 -","- C264 H344 N24 O16 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100283","11.5856","0.0005","18.9039","0.001","34.762","0.0016","90","","90","","90","","7613.3","0.6","117","1","117","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H51 Cl2 Fe N3 O2 -","- C40 H51 Cl2 Fe N3 O2 -","- C320 H408 Cl16 Fe8 N24 O16 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100284","35.52","0.003","11.5844","0.001","18.7071","0.0016","90","","90","","90","","7697.6","1.1","117","1","117","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C39 H55 Cl2 Co N3 O3.5 -","- C39 H55 Cl2 Co N3 O3.5 -","- C312 H440 Cl16 Co8 N24 O28 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100285","11.7149","0.0009","13.5659","0.001","20.8201","0.0016","90","","105.229","0.002","90","","3192.6","0.4","117","1","117","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Co N3 O2 -","- C34 H46 Co N3 O2 -","- C136 H184 Co4 N12 O8 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100286","18.2816","0.0007","13.9935","0.0005","18.7573","0.0007","90","","96.312","0.001","90","","4769.5","0.3","117","1","117","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 B Co F15 N3 O2 -","- C52 H46 B Co F15 N3 O2 -","- C208 H184 B4 Co4 F60 N12 O8 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100287","10.338","0.004","17.76","0.008","11.002","0.005","90","","106.408","0.008","90","","1937.7","1.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H60 O19 V6 -","- C24 H60 O19 V6 -","- C48 H120 O38 V12 -","2","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100288","17.5332","0.0015","17.5332","0.0015","11.224","0.002","90","","90","","120","","2988.2","0.6","295","2","295","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H60 O19 V6 -","- C24 H66 O19 V6 -","- C72 H198 O57 V18 -","3","0.0833333","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100289","10.4567","0.0017","10.5469","0.0017","10.6194","0.0017","88.751","0.004","86.169","0.004","88.269","0.004","1167.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H60 Cl6 O19 Sb V6 -","- C24 H60 Cl6 O19 Sb V6 -","- C24 H60 Cl6 O19 Sb V6 -","1","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100290","11.1503","0.0019","11.584","0.002","12.829","0.002","109.445","0.003","102.351","0.004","93.771","0.004","1509.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H64 Cl16 O19 Sb2 V6 -","- C26 H64 Cl16 O19 Sb2 V6 -","- C26 H64 Cl16 O19 Sb2 V6 -","1","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100291","20.8343","0.0012","10.083","0.0006","13.5064","0.0008","90","","90","","90","","2837.3","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H36 O19 V6 -","- C12 H36 O19 V6 -","- C48 H144 O76 V24 -","4","1","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100292","13.943","0.004","13.943","0.004","16.773","0.006","90","","90","","120","","2823.8","1.5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Cl6 O19 Sb V6 -","- C4 H12 Cl2 O6.33333 Sb0.333333 V2 -","- C36 H108 Cl18 O57 Sb3 V18 -","9","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100293","10.485","0.002","15.867","0.003","16.467","0.003","90","","101.66","0.03","90","","2683","0.9","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 P4 Ru -","- C60 H58 P4 Ru -","- C120 H116 P8 Ru2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100294","10.235","0.002","11.677","0.002","14.976","0.003","90","","99.97","0.03","90","","1762.8","0.6","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 N2 P4 Ru -","- C32 H52 N2 P4 Ru -","- C64 H104 N4 P8 Ru2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100295","13.283","0.003","12.833","0.003","22.746","0.005","90","0.005","90","0.005","90","0.005","3877.3","1.5","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H50 P4 Ru -","- C40 H50 P4 Ru -","- C160 H200 P16 Ru4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100296","12.9478","0.0006","17.5133","0.0009","16.9599","0.0009","90","","111.879","0.001","90","","3568.8","0.3","100","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Er4 Hg2 N8 Se10 -","- C118.712 H184.78 Cl2 Cr2 N4 O8.678 P2 -","- C237.424 H369.56 Cl4 Cr4 N8 O17.356 P4 -","2","0.5","","Anna Kornienko; Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Heterometallic Chalcogenido Clusters Containing Lanthanides and Main Group Metals: Emissive Precursors to Ternary Solid-State Compounds","Journal of the American Chemical Society","2005","127","","14008","14014","10.1021/ja0534708","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100297","27.264","0.004","21.61","0.003","17.695","0.003","90","","90.546","0.003","90","","10425","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 Cl0.5 Cr0.5 N5 O3 P2 -","- C58 H59 Cl0.5 Cr0.5 N5 O3 P2 -","- C464 H472 Cl4 Cr4 N40 O24 P16 -","8","2","","Donald J. Darensbourg; Ryan M. Mackiewicz","Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes","Journal of the American Chemical Society","2005","127","","14026","14038","10.1021/ja053544f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100298","14.41","0.004","11.391","0.003","17.611","0.004","90","","103.542","0.005","90","","2810.3","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Cr N7 O2 -","- C60 H80 Cr N7 O2 -","- C120 H160 Cr2 N14 O4 -","2","1","","Donald J. Darensbourg; Ryan M. Mackiewicz","Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes","Journal of the American Chemical Society","2005","127","","14026","14038","10.1021/ja053544f","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100299","9.2374","0.001","18.966","0.002","4.6027","0.0005","90","","90","","90","","806.37","0.15","243","2","243","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C8 H9 N O S -","- C8 H9 N O S -","- C32 H36 N4 O4 S4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100300","9.9894","0.0014","10.6153","0.0015","17.306","0.002","105.875","0.003","92.654","0.003","96.521","0.003","1748","0.4","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 B N7 O S4 Zn -","- C35 H30 B N7 O S4 Zn -","- C70 H60 B2 N14 O2 S8 Zn2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100301","17.64","0.001","9.8639","0.0006","25.2516","0.0016","90","","110.351","0.001","90","","4119.5","0.4","233","2","233","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 B N7 O2.5 S4 Zn -","- C38 H39 B N7 O2.5 S4 Zn -","- C152 H156 B4 N28 O10 S16 Zn4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100302","34.2735","0.0019","10.1637","0.0007","24.2411","0.0015","90","","110.735","0.003","90","","7897.3","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 N2 Zr2 -","- C46 H56 N2 Zr2 -","- C368 H448 N16 Zr16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100303","22.2372","0.0005","22.2372","0.0005","12.7232","0.0007","90","","90","","90","","6291.5","0.4","173","2","173","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C36 H52 N2 Zr2 -","- C36 H52 N2 Zr2 -","- C288 H416 N16 Zr16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100304","11.6843","0.0007","12.2044","0.0008","16.2169","0.0011","98.848","0.004","106.712","0.003","96.448","0.003","2158.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H67 N2 Zr2 -","- C51 H67 N2 Zr2 -","- C102 H134 N4 Zr4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100305","11.719","0.003","9.905","0.002","17.403","0.005","90","","97.939","0.01","90","","2000.9","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H38 N2 O3 Ru -","- C46 H38 N2 O3 Ru -","- C92 H76 N4 O6 Ru2 -","2","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100306","11.7114","0.0006","11.7098","0.0006","7.9329","0.0004","80.255","0.008","99.759","0.008","39.5969","0.0005","600.46","0.07","","","","","","","","","","","","5","P -1","-P 1","2","","","","- Cu2 La4 Mo O12 Zn -","- Cu2.00001 La4 Mo O12 Zn0.99999 -","- Cu4.00002 La8 Mo2 O24 Zn1.99998 -","2","1","","Li, Guobao; You, Liping; Wei, Wutao; Lu, Yue; Ju, Jing; Wannberg, Anders; Rundlöf, Håkan; Zou, Xiaodong; Yang, Tao; Tian, Shujian; Liao, Fuhui; Toyota, Naoki; Lin, Jianhua","La~4~Cu~3-x~Zn~x~MoO~12~: Zinc-Doped Cuprates with Kagomé Lattices","Journal of the American Chemical Society","2005","127","40","14094","14099","10.1021/ja053489a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","278158","2022-09-26","15:28:11",""
"4100307","15.922","0.002","14.31","0.0018","14.658","0.0018","90","","104.236","0.002","90","","3237.1","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 B Cl3 N7 Rh -","- C26 H44 B Cl3 N7 Rh -","- C104 H176 B4 Cl12 N28 Rh4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100308","10.5031","0.0001","18.9228","0.0003","25.0747","0.0005","90","","90","","90","","4983.55","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H10 Co O4 -","- C14 H10 Co O4 -","- C224 H160 Co16 O64 -","16","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100309","10.4764","0.0002","10.5116","0.0002","10.9597","0.0002","85.32","0.001","86.288","0.001","88.897","0.001","1200.26","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 Co3 N2 O12 -","- C52 H40 Co3 N2 O12 -","- C52 H40 Co3 N2 O12 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100310","13.5935","0.0003","20.5552","0.0005","20.2288","0.0006","90","","101.267","0.001","90","","5543.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C119 H99 Co6 O30 -","- C119 H99 Co6 O30 -","- C238 H198 Co12 O60 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100311","11.3534","0.0001","11.9927","0.0002","23.2928","0.0004","98.732","0.001","90.811","0.001","106.525","0.001","2999.75","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 Mn N6 Ni2 O12 -","- C66 H56 Mn N6 Ni2 O12 -","- C132 H112 Mn2 N12 Ni4 O24 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100312","18.7936","0.0003","20.8663","0.0004","25.3089","0.0006","90","","106.229","0.001","90","","9529.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H76 Co2 Ni4 O30 -","- C98 H76 Co2 Ni4 O30 -","- C392 H304 Co8 Ni16 O120 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100313","10.6761","0.0002","19.1023","0.0005","24.9963","0.001","90","","90","","90","","5097.7","0.3","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C28 H20 Co Mn O8 -","- C28 H20 Co Mn O8 -","- C224 H160 Co8 Mn8 O64 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100314","8.836","0.0003","15.257","0.0006","17.437","0.0007","79.554","0.0016","86.526","0.0013","80.798","0.0017","2280.78","0.15","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H26 Cl2 Hg N6 O13 Ru S2 -","- C26 H16 Cl2 Hg N6 O13 Ru S2 -","- C52 H32 Cl4 Hg2 N12 O26 Ru2 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100315","13.513","0.003","12.731","0.003","16.728","0.004","90","","111.403","0.004","90","","2679.3","1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H80 Cl10 Fe4 N6 -","- C32 H80 Cl10 Fe4 N6 -","- C64 H160 Cl20 Fe8 N12 -","2","0.5","","Bennett, Miriam V.; Stoian, Sebastian.; Bominaar, Emile L.; Munck, Eckard; Holm, R. H.","Initial Members of the Family of Molecular Mid-Valent High-Nuclearity Iron Nitrides: [Fe4N2X10]4- and [Fe10N8X12]5- (X = Cl-, Br-)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100316","10.064","0.005","12.042","0.006","24.16","0.012","90","","90.519","0.01","90","","2928","2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H86 Cl10 Fe4 N8 -","- C36 H86 Cl10 Fe4 N8 -","- C72 H172 Cl20 Fe8 N16 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100317","11.502","0.003","11.882","0.003","12.206","0.003","108.305","0.005","103.908","0.005","107.892","0.005","1398.5","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H80 Br10 Fe4 N6 -","- C32 H80 Br10 Fe4 N6 -","- C32 H80 Br10 Fe4 N6 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100318","43.523","0.015","23.303","0.008","15.201","0.005","90","","90","","90","","15417","9","193","2","193","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C44 H103 Cl12 Fe10 N15 -","- C44 H103 Cl12 Fe10 N15 -","- C352 H824 Cl96 Fe80 N120 -","8","","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100319","11.514","0.003","25.738","0.005","25.254","0.005","90","","90","","90","","7484","3","193","2","193","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C44 H32 Br12 Fe10 N13 -","- C44 H32 Br12 Fe10 N13 -","- C176 H128 Br48 Fe40 N52 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100320","14.8106","0.0003","10.495","0.0003","30.8449","0.001","90","","103.297","0.0016","90","","4665.9","0.2","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 P Ti -","- C24 H41 P Ti -","- C192 H328 P8 Ti8 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052214s","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100321","10.6523","0.0002","14.1425","0.0002","19.0644","0.0003","90.767","0.0011","103.029","0.0008","92.0666","0.0011","2795.62","0.08","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H84 F8 Ti4 -","- C52 H84 F8 Ti4 -","- C104 H168 F16 Ti8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052214s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100322","13.6891","0.0013","19.5881","0.0018","10.1627","0.001","90","","95.125","0.002","90","","2714.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 N Si2 -","- C27 H37 N Si2 -","- C108 H148 N4 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100323","15.202","0.003","16.481","0.003","16.361","0.003","90","","109.26","0.03","90","","3869.6","1.3","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H56 N P2 Rh Si2 -","- C38 H56 N P2 Rh Si2 -","- C152 H224 N4 P8 Rh4 Si8 -","4","0.5","","Krug, C.; Hartwig, J. F.","Transfer of an Amido Group from Rhodium(I) to an Unactivated Olefin","Journal of the American Chemical Society","2005","","","","","10.1021/ja052473h","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100324","9.757","0.002","12.353","0.003","22.411","0.005","90","","101.08","0.03","90","","2650.9","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 N2 P4 Rh2 -","- C54 H76 N2 P4 Rh2 -","- C108 H152 N4 P8 Rh4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052473h","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100325","39.605","0.004","10.0796","0.0008","15.831","0.0014","90","","103.419","0.002","90","","6147.2","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H47 Cl N4 Si2 -","- C27 H47 Cl N4 Si2 -","- C216 H376 Cl8 N32 Si16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178749","2020-10-21","18:00:00",""
"4100326","9.9685","0.0008","12.0502","0.0008","15.0987","0.0011","90","","90","","90","","1813.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Br N2 Si -","- C16 H25 Br N2 Si -","- C64 H100 Br4 N8 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100327","10.0175","0.0008","10.0979","0.0008","16.7974","0.0012","82.555","0.001","86.374","0.002","61.183","0.001","1476.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H45 Br N4 Si2 -","- C26 H45 Br N4 Si2 -","- C52 H90 Br2 N8 Si4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100328","13.4619","0.0013","9.4603","0.0009","27.419","0.003","90","","95.668","0.002","90","","3474.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H40 F7.5 I1.5 N4 Si2 -","- C26 H40 F5 I N4 Si2 -","- C104 H160 F20 I4 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100329","10.1224","0.0011","15.9526","0.0018","16.8701","0.0018","90","","90","","90","","2724.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H41 Cl3 N4 Si2 -","- C21 H41 Cl3 N4 Si2 -","- C84 H164 Cl12 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100330","10.288","0.0009","11.3745","0.0009","12.3997","0.0009","90","","92.421","0.002","90","","1449.7","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H53 Cl N4 Si2 -","- C24 H53 Cl N4 Si2 -","- C48 H106 Cl2 N8 Si4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100331","12.5909","0.0006","9.8884","0.0005","20.6792","0.001","90","","96.004","0.001","90","","2560.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Cl2 N4 Si2 -","- C20 H40 Cl2 N4 Si2 -","- C80 H160 Cl8 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100332","12.0505","0.0009","16.8545","0.0012","12.7894","0.0009","90","","94.94","0.001","90","","2587.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Cl2 N4 Si2 -","- C20 H44 Cl2 N4 Si2 -","- C80 H176 Cl8 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100333","9.0609","0.0016","10.806","0.002","13.188","0.004","99.668","0.01","97.413","0.013","97.84","0.009","1245.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N O4 S -","- C28 H29 N O4 S -","- C56 H58 N2 O8 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100334","6.5428","0.0003","14.7024","0.0008","31.477","0.002","90","","90","","90","","3027.9","0.3","143.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Br Cl2 N4 O10 -","- C27 H25 Br Cl2 N4 O10 -","- C108 H100 Br4 Cl8 N16 O40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100335","11.763","0.006","12.695","0.007","14.822","0.008","85.997","0.012","87.468","0.013","78.568","0.012","2163.1","2","293","","","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H46 Cl N O2 P2 Pd -","- C50 H46 Cl N O2 P2 Pd -","- C100 H92 Cl2 N2 O4 P4 Pd2 -","2","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100336","28.1891","0.0011","28.1878","0.0013","12.0345","0.0005","90","","90","","90","","9562.5","0.7","293.1","","","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C24 H35 Cl N2 Pd -","- C24 H35 Cl N2 Pd -","- C384 H560 Cl16 N32 Pd16 -","16","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100337","14.139","0.003","24.411","0.005","15.468","0.003","90","","113.889","0.002","90","","4881.5","1.8","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl N2 Pd -","- C26.5 H39 Cl2 N2 Pd -","- C212 H312 Cl16 N16 Pd8 -","8","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100338","12.278","0.003","13.33","0.003","17.546","0.004","88.863","0.009","88.465","0.008","63.02","0.005","2558.2","1","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H57 Cl N2 P2 Pd -","- C62 H57 Cl N2 P2 Pd -","- C124 H114 Cl2 N4 P4 Pd2 -","2","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100339","18.804","0.003","8.874","0.001","24.37","0.004","89","","89","","90","","4066.7","1.2","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Cl N2 Pd -","- C20 H31 Cl N2 Pd -","- C160 H248 Cl8 N16 Pd8 -","8","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100340","20.739","0.003","22.011","0.003","28.091","0.004","90","","90","","90","","12822.9","3.5","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H45 Cl3 N2 Pd -","- C33 H38.5 Cl3 N2 Pd -","- C528 H616 Cl48 N32 Pd16 -","16","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100341","19.546","0.003","17.932","0.003","24.484","0.004","90","","90","","90","","8581.7","2.6","173.1","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H23 Cl N2 Pd -","- C24 H23 Cl N2 Pd -","- C384 H368 Cl16 N32 Pd16 -","16","4","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100342","13.426","0.002","18.748","0.003","19.735","0.003","89.998","0.003","99.884","0.003","89.998","0.003","4893.8","1.4","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H53 Cl N2 P2 Pd -","- C60 H53 Cl N2 P2 Pd -","- C240 H212 Cl4 N8 P8 Pd4 -","4","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100343","12.116","0.003","12.229","0.003","19.976","0.005","80.272","0.01","74.98","0.01","64.724","0.008","2579.3","1","173.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H57 Cl N2 O2 P2 Pd -","- C62 H57 Cl N2 O2 P2 Pd -","- C124 H114 Cl2 N4 O4 P4 Pd2 -","2","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100344","12.2613","0.0005","12.4185","0.0005","23.9133","0.0011","90","","90","","90","","3641.2","0.3","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 Cl N4 O2 Pd -","- C41 H45 Cl N4 O2 Pd -","- C164 H180 Cl4 N16 O8 Pd4 -","4","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100345","10.0483","0.0009","24.824","0.002","9.4468","0.0003","90","","90","","90","","2356.4","0.7","150.2","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C31 H29 N -","- C31 H29 N -","- C124 H116 N4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100346","23.75","0.02","8.456","0.009","18.78","0.02","90","","118.39","","90","","3318","6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H28 Cl2 O8 -","- C39 H28 Cl2 O8 -","- C156 H112 Cl8 O32 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052828x","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100347","8.4828","0.0008","13.0644","0.0013","13.703","0.002","90","","101.579","0.013","90","","1487.7","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34.2 H14.4 Cl0.4 F12 -","- C34.2 H14.4 Cl0.4 F12 -","- C68.4 H28.8 Cl0.8 F24 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052828x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100348","28.0983","0.0009","12.0933","0.0005","19.9538","0.0007","90","","128.477","0.001","90","","5308","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H64 Cl4 N4 -","- C62 H64 Cl4 N4 -","- C248 H256 Cl16 N16 -","4","0.5","","Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko","Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins","Journal of the American Chemical Society","2005","127","42","14540","14541","10.1021/ja052842+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","190779","2020-10-21","18:00:00",""
"4100349","13.1254","0.0006","13.804","0.0006","16.7037","0.0007","103.853","0.001","96.6651","0.001","108.434","0.0013","2726.5","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H74 N4 O2 -","- C64 H74 N4 O2 -","- C128 H148 N8 O4 -","2","1","","Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko","Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins","Journal of the American Chemical Society","2005","127","42","14540","14541","10.1021/ja052842+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100350","18.048","0.0003","18.048","0.0003","25.862","0.0006","90","","90","","90","","8424","0.3","200","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C76 H94 N4 O -","- C76 H92 N4 O2 -","- C304 H368 N16 O8 -","4","0.25","","Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko","Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins","Journal of the American Chemical Society","2005","127","42","14540","14541","10.1021/ja052842+","","","","","","","","","","","","","","","","","","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4100351","23.509","0.001","10.5602","0.0006","16.909","0.002","90","","99.166","0.006","90","","4144.1","0.5","298.2","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H42 -","- C56 H42 -","- C224 H168 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052864w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100352","12.0856","0.0008","19.236","0.001","15.8922","0.0009","90","","93.143","0.003","90","","3688.9","0.4","298.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 S8 -","- C40 H23 S8 -","- C160 H92 S32 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052864w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100353","8.941","0.001","10.139","0.001","8.765","0.001","90","","90","","90","","794.57","0.15","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H6 F5 N O Si -","- C3 H6 F5 N O Si -","- C12 H24 F20 N4 O4 Si4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100354","11.4","0.01","11.52","0.01","15.24","0.01","67.97","0.04","88.4","0.1","66.31","0.04","1682","2","153.2","","153.2","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H42 B2 F24 Zr2 -","- C76 H42 B2 F24 Zr2 -","- C76 H42 B2 F24 Zr2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100355","6.9082","0.0014","21.246","0.004","21.65","0.004","64.24","0.03","81.37","0.03","82.51","0.03","2822","1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","N-methylcarbazole - trimeric perfluoro-ortho-phenylene mercury","","","- C31 H11 F12 Hg3 N -","- C31 H11 F12 Hg3 N -","- C124 H44 F48 Hg12 N4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053004i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100356","10.6791","0.0004","8.0091","0.0002","11.6796","0.0004","90","","107.846","0.0015","90","","950.89","0.05","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 B10 N2 -","- C16 H18 B10 N2 -","- C32 H36 B20 N4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053050i","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100357","62.1128","0.001","22.0071","0.0003","14.0494","0.0002","90","","89.9411","0.0008","90","","19204.4","0.5","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H70 B10 I2 P4 Pt2 -","- C30 H70 B10 I2 P4 Pt2 -","- C480 H1120 B160 I32 P64 Pt32 -","16","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053050i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178749","2020-10-21","18:00:00",""
"4100358","7.6658","0.0018","16.54","0.004","26.737","0.006","90","","91.558","0.005","90","","3388.8","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cu N6 O4 S2 -","- C36 H36 Cu N6 O4 S2 -","- C144 H144 Cu4 N24 O16 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053150o","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100359","8.407","0.004","13.578","0.007","15.815","0.006","72.28","0.02","80.88","0.02","89.7","0.03","1695.9","1.4","133.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 F3 N2 O4 S -","- C42 H35 F3 N2 O4 S -","- C84 H70 F6 N4 O8 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053161h","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100360","8.208","0.002","14.152","0.004","16.716","0.005","109.75","0.005","97.638","0.005","90.402","0.003","1808.4","0.9","103.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cl3 F3 N2 O3 S -","- C42 H32 Cl3 F3 N2 O3 S -","- C84 H64 Cl6 F6 N4 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053161h","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100361","9.057","0.002","19.794","0.003","14.905","0.003","90","","104.157","0.003","90","","2590.8","0.7","113.1","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C37 H26 N2 -","- C37 H26 N2 -","- C148 H104 N8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053161h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100362","17.833","0.004","9.664","0.002","20.097","0.004","90","","104.716","0.004","90","","3349.8","1.3","173","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 F6 S2 Si2 -","- C32 H32 F6 S2 Si2 -","- C128 H128 F24 S8 Si8 -","4","1","","Dr. Naoki Tanifuji; Prof. Kenji Matsuda; Prof. Masahiro. Irie","Regulation of the Photoreactivity and Switching of the Magnetic Interaction in Diarylethenes with 2,5-Bis(arylethynyl) -3-thienyl Group and Nitroxide Radical","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100363","10.539","0.002","12.555","0.003","16.466","0.003","83.57","0.03","80.09","0.03","82.23","0.03","2117.7","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H53 Cl2 N8 Na O5 S -","- C39 H53 Cl2 N8 Na O5 S -","- C78 H106 Cl4 N16 Na2 O10 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100364","11.074","0.002","14.812","0.003","18.825","0.004","90","","90","","90","","3087.8","1.1","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H48 N8 Na2 -","- C24 H48 N8 Na2 -","- C96 H192 N32 Na8 -","4","0.5","","Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","2005","127","","12416","12422","","","","","","","","","","","","","","","","","","","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4100365","10.703","0.002","14.608","0.003","18.606","0.004","90","","90","","90","","2909.1","1","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H48 N8 Na -","- C24 H48 N8 Na -","- C96 H192 N32 Na4 -","4","0.5","","Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","2005","127","","12416","12422","","","","","","","","","","","","","","","","","","","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4100366","18.149","0.004","20.315","0.004","27.882","0.006","90","","90","","90","","10280","4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C48 H96 N16 -","- C48 H96 N16 -","- C384 H768 N128 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100367","14.494","0.003","10.669","0.002","18.43","0.004","90","","90.04","0.03","90","","2850","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Cl N8 Na O4 -","- C24 H48 Cl N8 Na O4 -","- C96 H192 Cl4 N32 Na4 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100368","15.3043","0.0004","25.3617","0.0007","27.7091","0.0008","90","","90","","90","","10755.1","0.5","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","germane","","","- C30 H40 Ge -","- C30 H40 Ge -","- C480 H640 Ge16 -","16","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100369","8.1162","0.0002","12.8118","0.0005","24.325","0.0007","90","","90","","90","","2529.39","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O6 S -","- C28 H29 N O6 S -","- C112 H116 N4 O24 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100370","12.012","0.0005","6.8002","0.0003","13.1662","0.0005","90","","115.748","0.003","90","","968.69","0.07","253","2","253","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Diepoxide 6","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Katsuhiko Tomooka","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053347g","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100371","20.363","0.002","19.4145","0.0019","13.8696","0.0013","90","","94.4","0.002","90","","5466.9","0.9","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Fe2 N8 Ru2 -","- C60 H62 Fe2 N8 Ru2 -","- C240 H248 Fe8 N32 Ru8 -","4","1","","Ren, Tong","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100372","10.9105","0.0005","16.6264","0.0008","18.1033","0.0009","94.677","0.001","105.625","0.001","109.074","0.001","2936.7","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H68 Fe2 N8 Ru2 -","- C64.802 H62 Fe2 N8 Ru2 -","- C129.604 H124 Fe4 N16 Ru4 -","2","1","","Ren, Tong","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100373","12.2003","0.0006","14.9675","0.0007","18.2981","0.0009","83.358","0.001","74.311","0.001","84.788","0.001","3189.1","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H70 Fe2 N8 Ru2 -","- C70.993 H70 Fe2 N8 Ru2 -","- C141.986 H140 Fe4 N16 Ru4 -","2","1","","Ren, Tong","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100374","26.0092","0.0003","26.0092","0.0003","26.0092","0.0003","90","","90","","90","","17594.7","0.4","298","2","298","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C84 H84 Cl5 F6 O3 P7 Ru3 -","- C84 H84 Cl5 F6 O3 P7 Ru3 -","- C672 H672 Cl40 F48 O24 P56 Ru24 -","8","0.333333","","Chen, Yiyun; .; Ho, Douglas M.; .; Lee, Chulbom; .","Ruthenium-Catalyzed Hydrative Cyclization of 1,5-Enynes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053462r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100375","10.603","0.002","19.515","0.004","27.927","0.006","90","","90","","90","","5779","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H81 Cl3 N8 O11 -","- C53 H81 Cl3 N8 O11 -","- C212 H324 Cl12 N32 O44 -","4","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100376","14.7536","0.0003","15.8798","0.0003","21.4784","0.0004","75.7066","0.0008","80.667","0.001","69.645","0.001","4555.6","0.2","193","","","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H127 Cl N6 O13 Zn -","- C92 H102 Cl N6 O14 Zn -","- C184 H204 Cl2 N12 O28 Zn2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100377","16.588","0.002","16.697","0.002","22.305","0.002","77.2","0.1","89.8","0.1","63.4","0.1","5354","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","calix[6]arene 1,3,5, tri-methoxy, 2,4, di-imidazoyl, 6-benzyl tris- terbutyl phenol, zinc complex, hydrate and methanol solvate, perchlorate salt","","","- C99 H146 Cl N5 O17 Zn -","- C99 H146 Cl N5 O17 Zn -","- C198 H292 Cl2 N10 O34 Zn2 -","2","1","","Olivier Seneque; Marie-Noëlle Rager; Michel Giorgi; Thierry Prangé; Alain Tomas; Olivia Reinaud","Biomimetic Zinc Funnel Complexes Based on Calix[6]N3ArO Ligands: an Acid-Base Switch for Guest Binding","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100378","10.3233","0.0006","11.2864","0.0006","31.2034","0.0018","90","","90","","90","","3635.6","0.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 Co2 N O6 P S -","- C34 H40 Co2 N O6 P S -","- C136 H160 Co8 N4 O24 P4 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100379","10.0274","0.0009","15.5465","0.0014","20.3707","0.0018","69.938","0.002","87.374","0.002","83.796","0.002","2965.3","0.5","173","2","100","2","","","","","","","","4","P -1","-P 1","2","trianthryltriphenylborazine-iPr","","","- C76 H68 B3 N3 -","- C76 H68 B3 N3 -","- C152 H136 B6 N6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100380","20.4905","0.001","20.4905","0.001","25.5846","0.0017","90","","90","","120","","9302.8","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","trianthryltriphenylborazine-CF3","","","- C76.5 H51 B3 F9 N3 -","- C76.49 H51 B3 F9 N3 -","- C458.94 H306 B18 F54 N18 -","6","0.333333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100381","26.021","0.002","9.986","0.001","16.95","0.002","90","","99.94","0.01","90","","4338.3","0.7","446","2","446","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H48 S2 -","- C60 H48 S2 -","- C240 H192 S8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100382","13.702","0.004","14.778","0.004","14.861","0.004","118.82","0.03","92.55","0.03","114.21","0.03","2291.5","1.7","446","2","446","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H46 Cl2 S2 -","- C61 H46 Cl2 S2 -","- C122 H92 Cl4 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100383","18.38","0.006","24.348","0.008","10.254","0.003","90","","90","","90","","4588.7","2.5","173.1","","","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C47 H71 N O3 Ti -","- C47 H53 N O3 Ti -","- C188 H212 N4 O12 Ti4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053740m","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100384","10.932","0.006","18.807","0.01","22.851","0.012","95.696","0.007","97.034","0.009","96.286","0.006","4604.1","4.1","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H68 O3 Ti -","- C50 H68 O3 Ti -","- C200 H272 O12 Ti4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053740m","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100385","15.589","0.004","18.322","0.004","20.355","0.005","90","","93.609","0.004","90","","5802.1","2.4","173.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H92 O6 Zr -","- C62 H86 O6 Zr -","- C248 H344 O24 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053740m","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100386","8.8395","0.0011","10.6587","0.0015","13.4582","0.0019","90","","105.205","0.002","90","","1223.6","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 F3 N O -","- C12 H16 F3 N O -","- C48 H64 F12 N4 O4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100387","9.0626","0.0002","22.3248","0.0004","9.9673","0.0001","90","","101.464","0.001","90","","1976.36","0.06","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl2 N2 O4 -","- C19 H22 Cl2 N2 O4 -","- C76 H88 Cl8 N8 O16 -","4","1","","Michael S. Sherburn; Alan D. Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100388","9.6231","0.0002","19.1305","0.0004","12.2601","0.0002","90","","109.799","0.0013","90","","2123.59","0.07","200","","200","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Michael S. Sherburn; Alan D. Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100389","8.0578","0.0001","14.7735","0.0002","24.2902","0.0003","90","","95.4998","0.0009","90","","2878.24","0.06","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 Cl6 N2 O4 -","- C25 H24 Cl6 N2 O4 -","- C100 H96 Cl24 N8 O16 -","4","1","","Michael S. Sherburn; Alan Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100390","9.9338","0.0002","26.1144","0.0004","7.9396","0.0001","90","","90","","90","","2059.65","0.06","200","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Michael S. Sherburn; Alan D. Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100391","13.0062","0.0016","13.7917","0.0017","25.015","0.003","89.6","0.002","75.968","0.002","89.119","0.002","4352.7","0.9","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C78 H152 B3 F12 N4 O2 Rh -","- C78 H152 B3 F12 N4 O2 Rh -","- C156 H304 B6 F24 N8 O4 Rh2 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100392","8.3325","0.001","15.3628","0.0017","31.061","0.004","90","","90","","90","","3976.1","0.8","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C36 H56 B2 F8 O6 Rh2 -","- C36 H56 B2 F8 O6 Rh2 -","- C144 H224 B8 F32 O24 Rh8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100393","11.6783","0.0015","18.775","0.003","28.507","0.004","90","","97.76","0.003","90","","6193.2","1.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H90 N4 Zn2 -","- C65 H82 N4 Zn2 -","- C260 H328 N16 Zn8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053819r","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100394","6.8233","0.0009","6.8233","0.0009","14.03","0.003","90","","90","","120","","565.67","0.17","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","zincian paratacamite, syn","","","- Cl2 Cu3.58 H6 O6 Zn0.42 -","- Cl2 Cu3.58 H6 O6 Zn0.42 -","- Cl6 Cu10.74 H18 O18 Zn1.26 -","3","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100395","6.8342","0.0003","6.8342","0.0003","14.032","0.0012","90","","90","","120","","567.58","0.06","130","2","130","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","herbertsmithite, syn","","","- Cl2 Cu3 H6 O6 Zn -","- Cl2 Cu3 H6 O6 Zn -","- Cl6 Cu9 H18 O18 Zn3 -","3","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100396","6.8293","0.0006","6.8293","0.0006","14.024","0.002","90","","90","","120","","566.46","0.12","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl2 Cu3 H6 O6 Zn -","- Cl2 Cu3 H6 O6 Zn -","- Cl6 Cu9 H18 O18 Zn3 -","3","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100397","6.8293","0.0006","6.8293","0.0006","14.024","0.002","90","","90","","120","","566.46","0.12","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","zincian paratacamite, syn","","","- Cl2 Cu3.67 H6 O6 Zn0.33 -","- Cl2 Cu3.7 H6 O6 Zn0.3 -","- Cl6 Cu11.1 H18 O18 Zn0.9 -","3","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100400","19.3","0.005","4.7397","0.001","16.127","0.004","90","","102.838","0.007","90","","1438.4","0.6","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H25 Cl O -","- C14 H25 Cl O -","- C56 H100 Cl4 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100401","6.8584","0.0003","13.6465","0.0008","21.3782","0.0014","90","","90","","90","","2000.9","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 I O4 -","- C20 H29 I O4 -","- C80 H116 I4 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100402","6.448","0.001","20.322","0.003","6.7818","0.001","90","","102.779","0.004","90","","866.7","0.2","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C36 H56 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100403","6.094","0.006","15.229","0.014","20.355","0.018","90","","90","","90","","1889","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 I O4 -","- C18 H27 I O4 -","- C72 H108 I4 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100404","10.089","0.0013","9.621","0.0012","22.019","0.003","90","","102.17","0.003","90","","2089.3","0.5","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H47 B2 Cl2 F8 O2 P2 Rh -","- C38 H47 B2 Cl2 F8 O2 P2 Rh -","- C76 H94 B4 Cl4 F16 O4 P4 Rh2 -","2","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100405","10.6154","0.0008","15.8025","0.0012","25.0896","0.0019","90","","90","","90","","4208.8","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H45 F12 Ir O2 P2 Sb2 -","- C37 H45 F12 Ir O2 P2 Sb2 -","- C148 H180 F48 Ir4 O8 P8 Sb8 -","4","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100406","13.6002","0.0014","13.6002","0.0014","51.477","0.01","90","","90","","90","","9521","2","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C42 H49 Cl2 F12 O P2 Rh Sb2 -","- C42 H47 Cl2 F12 O P2 Rh Sb2 -","- C336 H376 Cl16 F96 O8 P16 Rh8 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100407","13.6161","0.0003","13.6161","0.0003","51.58","0.002","90","","90","","90","","9562.8","0.5","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C42 H49 Cl2 F12 Ir O P2 Sb2 -","- C42 H47 Cl2 F12 Ir O P2 Sb2 -","- C336 H376 Cl16 F96 Ir8 O8 P16 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100408","13.6029","0.0004","13.6029","0.0004","51.708","0.003","90","","90","","90","","9567.9","0.7","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C42 H50 Cl2 F12 Ir N O P2 Sb2 -","- C42 H48 Cl2 F12 Ir N O P2 Sb2 -","- C336 H384 Cl16 F96 Ir8 N8 O8 P16 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100409","11.3849","0.0008","7.4838","0.0005","13.4086","0.0009","90","","105.204","0.001","90","","1102.46","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl N2 O -","- C25 H29 Cl N2 O -","- C50 H58 Cl2 N4 O2 -","2","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100410","13.6725","0.0003","13.6725","0.0003","52.004","0.003","90","","90","","90","","9721.5","0.6","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C43 H50 Cl2 F12 N O P2 Rh Sb2 -","- C43 H50 Cl2 F12 N O P2 Rh Sb2 -","- C344 H400 Cl16 F96 N8 O8 P16 Rh8 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100411","9.6642","0.0001","18.9689","0.0002","17.8475","0.0002","90","","91.317","0.001","90","","3270.93","0.06","120","1","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Lu N3 Na3 O24 -","- C21 H27 Lu N3 Na3 O24 -","- C84 H108 Lu4 N12 Na12 O96 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100412","9.6914","0.0004","19.1705","0.0008","18.0663","0.0007","90","","91.671","0.003","90","","3355.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N3 Na3 O24 Y -","- C21 H17 N3 Na3 O24 Y -","- C84 H68 N12 Na12 O96 Y4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100413","15.8453","0.0007","15.8453","0.0007","33.121","0.003","90","","90","","120","","7201.6","0.7","293","2","100","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C36 H52 N8 O15 -","- C36 H52 N8 O15 -","- C216 H312 N48 O90 -","6","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100414","8.0718","0.0016","8.6934","0.0018","12.536","0.003","92.987","0.004","106.117","0.003","112.401","0.003","768.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Cl2 F3 N O2 -","- C15 H10 Cl2 F3 N O2 -","- C30 H20 Cl4 F6 N2 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100415","14.911","0.001","20.1383","0.0014","7.0209","0.0005","90","","90.293","0.001","90","","2108.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H42 Ag2 B2 F8 N10 -","- C36 H42 Ag2 B2 F8 N10 -","- C72 H84 Ag4 B4 F16 N20 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100416","14.8307","0.001","20.5641","0.0013","7.0449","0.0005","90","","90.118","0.001","90","","2148.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H36 Ag2 B2 F8 N8 -","- C32 H36 Ag2 B2 F8 N8 -","- C64 H72 Ag4 B4 F16 N16 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100417","11.8734","0.0015","17.225","0.002","22.814","0.003","90.536","0.002","103.247","0.002","108.671","0.002","4285.3","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- H34 K10 Na3 O89 P2 Pd W19 -","- K10 Na3 O89 P2 Pd W19 -","- K20 Na6 O178 P4 Pd2 W38 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100418","11.95","0.0008","17.3589","0.0012","22.9619","0.0016","90.478","0.001","103.281","0.001","108.628","0.001","4375.7","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- H28 K10 Na3 O89 P2 Pd W19 -","- K10 Na3 O89 P2 Pd W19 -","- K20 Na6 O178 P4 Pd2 W38 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100419","11.9383","0.0016","17.332","0.002","22.94","0.003","90.414","0.003","103.278","0.002","108.585","0.002","4362.1","1","30","2","30","2","","","","","","","","7","P -1","-P 1","2","","","","- H28 K10 Na3 O89 P2 Pd W19 -","- K10 Na3 O89 P2 Pd W19 -","- K20 Na6 O178 P4 Pd2 W38 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100420","17.6882","0.0004","27.3758","0.0007","12.8257","0.0003","90","","100.957","0.001","90","","6097.4","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C80 H64 Cl4 -","- C80 H64 Cl4 -","- C320 H256 Cl16 -","4","0.5","","Song, Qiuling; .; Lebeis, Christopher W.; .; Shen, Xianfeng; .; Ho, Douglas M.; .; Pascal Jr., Robert A.; .","2,3,10,11,18,19-Hexaphenyl-1,4,9,12,17,20-hexamethylhexa-o-phenylene Dichloromethane Disolvate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100421","31.7079","0.0012","20.3142","0.0008","26.6109","0.001","90","","109.871","0.002","90","","16120.1","1.1","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C210 H147 N7 O14 -","- C168 H112 -","- C672 H448 -","4","1","","Song, Qiuling; .; Lebeis, Christopher W.; .; Shen, Xianfeng; .; Ho, Douglas M.; .; Pascal Jr., Robert A.; .","3^3,3^4,3^5,3^6,6^3,6^4,6^5,6^6,9^3,9^4,9^5,9^6,12^3,12^4,12^5,12^6- Hexadecaphenyl-1,2(1,4),3(1,2),4,5(1,4),6(1,2),7,8(1,4),9(1,2),10,- 11(1,4),12(1,2)-dodecabenzenacyclododecaphane Nitrobenzene Heptasolvate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100422","11.6499","0.0002","19.9833","0.0003","20.8163","0.0003","90","","95.872","0.001","90","","4820.68","0.13","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 O6 -","- C56 H38 O2 -","- C224 H152 O8 -","4","0.5","","Song, Qiuling; .; Lebeis, Christopher W.; .; Shen, Xianfeng; .; Ho, Douglas M.; .; Pascal Jr., Robert A.; .","1,2-Bis[4-(4-formylphenyl)phenyl]-3,4,5,6-tetraphenylbenzene Ethyl Acetate Disolvate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100423","13.1326","0.0016","5.8396","0.0008","26.555","0.003","90","","91.813","0.004","90","","2035.5","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 I N2 O9 -","- C17 H19 I N2 O9 -","- C68 H76 I4 N8 O36 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100424","53.617","0.012","7.403","0.0017","6.5735","0.0015","90","","94.259","0.004","90","","2602","1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H8 F10 O2 S4 -","- C30 H8 F10 O2 S4 -","- C120 H32 F40 O8 S16 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100425","6.0174","0.0008","7.4293","0.001","52.685","0.007","90","","93.137","0.002","90","","2351.8","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 O2 S4 -","- C30 H18 O2 S4 -","- C120 H72 O8 S16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100426","11.043","0.004","10.218","0.004","16.867","0.006","90","","92.803","0.0013","90","","1901.1","1.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N2 P -","- C24 H19 N2 P -","- C96 H76 N8 P4 -","4","1","","Masaki Yamamura; Naokazu Kano; Takayuki Kawashima","Thermal and Photo-control of the Equilibrium between a Phosphinoazobenzene and an Inner Phosphonium Salt","Journal of the American Chemical Society","2005","","","","","10.1021/ja054293d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100427","11.968","0.009","13.961","0.009","15.856","0.012","92.877","0.016","105.566","0.015","98.843","0.016","2510","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H61 Cl2 N11 O9 -","- C39 H55 Cl2 N11 O7 -","- C78 H110 Cl4 N22 O14 -","2","1","","Kang Sung-Ok; Powell, Douglas; Bowman-James, Kristin","Anion Binding Motifs: Topicity and Charge in Amidocryptands","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100428","15.063","0.005","16.368","0.005","20.627","0.006","95.197","0.008","92.281","0.009","99.878","0.009","4982","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H64 N12 O15 S -","- C39 H61.7855 N11 O14.5 S -","- C156 H247.142 N44 O58 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100429","25.422","0.011","20.991","0.009","11.102","0.004","90","","104.961","0.01","90","","5724","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C49 H79 Cl2 N15 O11 -","- C45 H73 Cl2 N13 O11 -","- C180 H292 Cl8 N52 O44 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100430","13.235","0.004","13.829","0.004","17.234","0.005","79.429","0.006","85.435","0.006","68.223","0.005","2879.2","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H87 N11 O25 -","- C43 H81 N11 O22 -","- C86 H162 N22 O44 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100431","11.2325","0.0006","23.7339","0.0013","28.7821","0.0016","90","","90","","90","","7673","0.7","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C120 H46 Ce2 S6 Si2 -","- C120 H46 Ce2 S6 Si2 -","- C480 H184 Ce8 S24 Si8 -","4","1","","Akasaka, Takeshi","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100432","9.1428","0.0003","9.1428","0.0003","8.2587","0.0006","90","","90","","90","","690.35","0.06","293","","294","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- K O7 Si2 U -","- K O7 Si2 U -","- K4 O28 Si8 U4 -","4","0.25","","Chih-Shan Chen; Shang-Fan Lee; Kwang-Hwa Lii","K(UO)Si2O6: A Pentavalent-Uranium Silicate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100433","13.893","0.0002","32.511","0.0008","11.792","0.0004","90","","110.68","0.001","90","","4983","0.2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H84 Ge Li O Si5 -","- C42 H84 Ge Li O Si5 -","- C168 H336 Ge4 Li4 O4 Si20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100434","6.4334","0.0011","13.248","0.002","11.4784","0.0018","90","","98.002","0.004","90","","968.8","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H26 Br N O3 S -","- C15 H26 Br N O3 S -","- C30 H52 Br2 N2 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054401w","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100435","13.712","0.002","23.001","0.004","30.221","0.005","90","","91.006","0.006","90","","9530","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C110 H124 B2 Fe2 N Na O5 P6 -","- C110 H124 B2 Fe2 N Na O5 P6 -","- C440 H496 B8 Fe8 N4 Na4 O20 P24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100436","23.519","0.005","13.524","0.003","25.937","0.006","90","","95.178","0.004","90","","8216","3","96","2","96","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H98 B2 Fe2 N O2 P6 -","- C98 H98 B2 Fe2 N O2 P6 -","- C392 H392 B8 Fe8 N4 O8 P24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100437","5.1796","0.0009","15.931","0.003","7.7324","0.0012","90","","90.41","0.003","90","","638.04","0.18","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100438","5.2384","0.001","13.518","0.003","13.72","0.003","90","","90","","90","","971.5","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100439","5.0429","0.0007","9.789","0.0013","33.327","0.005","90","","90","","90","","1645.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O5 -","- C18 H15 Br O5 -","- C72 H60 Br4 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100440","11.743","0.002","8.1468","0.0015","16.04","0.003","90","","94.742","0.004","90","","1529.3","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15.5 H19 Cl O5 -","- C15.5 H19 Cl O5 -","- C62 H76 Cl4 O20 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100441","5.4579","0.0015","18.473","0.006","9.635","0.003","90","","104.069","0.004","90","","942.3","0.5","193","2","193","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100442","15.666","0.0016","14.2237","0.0015","11.4188","0.0012","90","","102.645","0.002","90","","2482.7","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 O3 -","- C30 H30 N2 O3 -","- C120 H120 N8 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100443","15.7191","0.0007","15.8526","0.0007","12.402","0.0006","90","","110.888","0.001","90","","2887.3","0.2","218","2","218","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N4 O6 Pd2 -","- C30 H28 N4 O6 Pd2 -","- C120 H112 N16 O24 Pd8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100444","13.9833","0.0015","27.405","0.003","27.411","0.003","104.281","0.002","94.969","0.002","101.353","0.002","9878.8","1.8","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C147.5 H185.5 Cl34.5 F18 N3 O30 P3 -","- C142 H180 Cl18 F18 N3 O30 P3 -","- C284 H360 Cl36 F36 N6 O60 P6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100445","10.3817","0.0015","20.576","0.003","8.7912","0.0013","90","","101.985","0.003","90","","1837","0.5","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 -","- C25 H22 -","- C100 H88 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100446","13.4641","0.0013","11.2411","0.0011","14.4956","0.0014","90","","99.602","0.002","90","","2163.2","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 -","- C30 H24 -","- C120 H96 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100447","18.7703","0.0015","11.8068","0.0009","21.5849","0.0015","90","","108.256","0.007","90","","4542.8","0.6","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 O2 P3 Ru -","- C56 H45 O2 P3 Ru -","- C224 H180 O8 P12 Ru4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100448","12.329","0.0013","12.731","0.0014","14.5591","0.0016","83.334","0.013","65.932","0.012","66.29","0.011","1907.3","0.4","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H42 N O2 P3 Ru -","- C43 H42 N O2 P3 Ru -","- C86 H84 N2 O4 P6 Ru2 -","2","1","","Guy Lavigne et al.","Instant base-promoted"" generation of Roper's type Ru(0) complexes...","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100449","13.6063","0.0015","15.7331","0.001","19.9643","0.0018","90","","102.34","0.012","90","","4175","0.7","180","2","180","2","","","","","","","","6","P 21/n","-P 2yn","14","","","","- C48 H45 N2 O2 P3 Ru -","- C48 H45 N2 O2 P3 Ru -","- C192 H180 N8 O8 P12 Ru4 -","4","","","Lavigne, G.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","34330","2020-10-21","18:00:00",""
"4100450","38.406","0.002","10.1745","0.0006","23.4954","0.0011","90","","107.838","0.005","90","","8739.8","0.8","180","2","180","2","","","","","","","","6","C 2/c","-C 2yc","15","","","","- C47 H48 O3 P2 Ru Si -","- C47 H48 O3 P2 Ru Si -","- C376 H384 O24 P16 Ru8 Si8 -","8","","","Lavigne, G.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","34330","2020-10-21","18:00:00",""
"4100451","5.946","0.0003","11.5541","0.0007","12.6351","0.0009","96.432","0.003","95.564","0.004","103.692","0.002","831.18","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H17 Cl N2 O3 S -","- C17.5 H17 Cl N2 O3 S -","- C35 H34 Cl2 N4 O6 S2 -","2","1","","Streuff, Jan; Hövelmann, Claas H.; Nieger, Martin; Muniz, Kilian","Palladium-Catalyzed Intramolecular Diamination of Unfunctionalized Alkenes","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100452","32.672","0.006","10.77","0.002","15.855","0.003","90","","116.19","0.03","90","","5006.2","1.6","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H42 Cl N2 O P Ru -","- C22.5 H42 Cl N2 O P Ru -","- C180 H336 Cl8 N16 O8 P8 Ru8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052862b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100453","10.3337","0.0005","11.6537","0.0006","14.5004","0.0007","70.113","0.002","75.377","0.002","80.004","0.002","1581.5","0.14","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Ar*2Fe","","","- C72 H98 Fe S2 -","- C72 H98 Fe S2 -","- C72 H98 Fe S2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100454","10.3845","0.0015","11.6674","0.0017","14.568","0.002","69.444","0.011","75.886","0.011","80.284","0.012","1596","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","(Bert*S)2Mn","","","- C72 H98 Mn S2 -","- C72 H98 Mn S2 -","- C72 H98 Mn S2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100455","10.38","0.0015","11.5353","0.0017","14.359","0.002","72.834","0.005","83.944","0.004","78.82","0.003","1609.4","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(Ar*S)2Cr","","","- C72 H98 Cr S2 -","- C72 H98 Cr S2 -","- C72 H98 Cr S2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100456","10.212","0.004","11.828","0.005","14.54","0.006","70.942","0.007","83.534","0.008","80.246","0.008","1632.8","1.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(Ar*S)~2~Zn","","","- C72 H98 S2 Zn -","- C72 H98 S2 Zn -","- C72 H98 S2 Zn -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100457","11.665","0.003","16.711","0.003","18.263","0.004","103.453","0.006","106.382","0.011","99.023","0.006","3226","1.2","91","2","91","2","","","","","","","","4","P -1","-P 1","2","(Bert*S2)Co","","","- C72 H98 Co S2 -","- C72 H98 Co S2 -","- C144 H196 Co2 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100458","14.887","0.009","29.093","0.018","22.814","0.01","90","","130.73","0.02","90","","7488","7","91","2","91","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Ar*S)2Ni.2PhMe","","","- C86 H114 Ni S2 -","- C86 H114 Ni S2 -","- C344 H456 Ni4 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100459","10.6403","0.0013","19.65","0.003","17.091","0.002","90","","94.803","0.002","90","","3560.9","0.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H22 Al F15 Zr -","- C40 H22 Al F15 Zr -","- C160 H88 Al4 F60 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0429622","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100460","9.921","0.003","18.683","0.003","14.218","0.003","90","","101.4","0.02","90","","2583.3","1","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 N3 O4 -","- C30 H27 N3 O4 -","- C120 H108 N12 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0455291","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100461","14.883","0.006","13.509","0.004","20.809","0.009","90","","92.07","0.04","90","","4180","2","93.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cl8 N4 O5 -","- C40 H34 Cl8 N4 O5 -","- C160 H136 Cl32 N16 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0455291","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100462","11.819","0.002","13.49","0.002","15.6589","0.0009","106.26","0.01","106.353","0.01","100.402","0.005","2206.7","0.5","113.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H49 N5 O8 -","- C50 H49 N5 O8 -","- C100 H98 N10 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0455291","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100463","10.704","0.003","11.993","0.003","13.714","0.003","87.72","0.02","87.36","0.02","85.13","0.02","1751.2","0.8","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N4 O8 -","- C40 H38 N4 O8 -","- C80 H76 N8 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0455291","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100464","12.1433","0.0007","12.3153","0.0007","15.6682","0.0009","82.247","0.001","86.606","0.001","81.976","0.001","2297.1","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C70 F30 -","- C70 F30 -","- C140 F60 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050305j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100465","20.65","0.003","27.279","0.0016","19.546","0.003","90","","91.404","0.005","90","","11007","2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C156 H117 K O9 -","- C156 H117 K O9 -","- C624 H468 K4 O36 -","4","1","","Matsuo, Yutaka; Nakamura, Eiichi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050318x","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100466","15.777","0.005","17.554","0.005","21.761","0.005","81.86","0.005","72.851","0.005","77.342","0.005","5600","3","153","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C159 H124 K2 O9 -","- C159 H120 K2 O9 -","- C318 H240 K4 O18 -","2","1","","Matsuo, Y.; Nakamura, E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050318x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100467","9.3455","0.0006","11.4513","0.0008","14.9049","0.0008","90","","99.072","0.002","90","","1575.1","0.2","263.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0508323","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100468","8.6118","0.0006","8.2267","0.0005","22.13","0.001","90","","97.9041","0.0006","90","","1553","0.2","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0508323","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100469","33.417","0.002","33.417","0.002","12.6691","0.0018","90","","90","","90","","14148","2","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H98 B4 N4 O8 -","- C72 H98 B4 N4 O8 -","- C576 H784 B32 N32 O64 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051073r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100470","9.209","0.0005","14.712","0.0008","12.5178","0.0006","90","","109.01","0.03","90","","1603.42","0.15","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H13 Cl2 Fe2 N O11 -","- C6 H13 Cl2 Fe2 N O11 -","- C24 H52 Cl8 Fe8 N4 O44 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100471","14.754","0.003","23.596","0.004","9.273","0.0017","90","","90","","90","","3228.2","1","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H13 Cl2 Fe2 N O11 -","- C6 Cl2 Fe2 N O11 -","- C48 Cl16 Fe16 N8 O88 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100472","11.1633","0.0018","10.7657","0.0018","13.605","0.002","90","","90.146","0.003","90","","1635","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C84 H72 N4 O8 -","2","0.5","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512172","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100473","16.1429","0.0017","16.8733","0.0018","17.309","0.0019","89.578","0.002","89.332","0.002","88.507","0.002","4712.7","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H108 Fe2 N4 O12 -","- C112 H108 Fe2 N4 O12 -","- C224 H216 Fe4 N8 O24 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100474","14.624","0.003","16.815","0.003","19","0.004","101.087","0.004","108.835","0.004","96.944","0.004","4254.2","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92.5 H66 Cl9 F8 Fe2 N4 O8 -","- C92.5 H64 Cl9 F8 Fe2 N4 O8 -","- C185 H128 Cl18 F16 Fe4 N8 O16 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100475","15.623","0.017","16.588","0.018","16.961","0.018","63.993","0.018","88.56","0.02","72.31","0.02","3733","7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H136 Cl14 Fe6 N8 O20 -","- C156 H136 Cl14 Fe6 N8 O20 -","- C156 H136 Cl14 Fe6 N8 O20 -","1","0.5","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100476","10.4297","0.0019","13.26","0.002","14.204","0.003","110.408","0.003","99.903","0.003","96.652","0.003","1780.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H56 F8 Fe2 N4 O10 -","- C88 H56 F8 Fe2 N4 O10 -","- C88 H56 F8 Fe2 N4 O10 -","1","0.5","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100477","10.501","0.003","13.256","0.004","15.364","0.004","112.975","0.004","100.074","0.004","94.916","0.004","1910.4","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H80 Fe2 N4 O10 -","- C96 H80 Fe2 N4 O10 -","- C96 H80 Fe2 N4 O10 -","1","0.5","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100478","16.155","0.003","17.578","0.003","23.105","0.004","92.951","0.003","91.752","0.003","94.955","0.003","6524.2","1.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H122 Cl8 Fe2 N4 O14 -","- C142 H122 Cl8 Fe2 N4 O14 -","- C284 H244 Cl16 Fe4 N8 O28 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100479","17.422","0.001","14.772","0.0013","36.703","0.002","90","","101.969","0.004","90","","9240.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C95 H108 Fe4 N0 O19 -","- C95 H108 Fe4 O19 -","- C380 H432 Fe16 O76 -","4","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100480","26.815","0.0015","26.815","0.0015","23.7356","0.0018","90","","90","","120","","14780.4","1.6","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C83 H128 Cl2 N4 O17.33 Zn -","- C83 H128 Cl1.96433 N4 O17.1907 Zn -","- C498 H768 Cl11.786 N24 O103.144 Zn6 -","6","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051299u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100481","8.9046","0.0005","17.4366","0.001","20.8837","0.0012","92.292","0.001","92.525","0.001","92.968","0.001","3232.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H58 Ir N P2 -","- C32 H58 Ir N P2 -","- C128 H232 Ir4 N4 P8 -","4","2","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051300p","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100482","9.3998","0.0007","31.751","0.002","11.3603","0.0008","90","","113.128","0.001","90","","3118","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H56 Ir N P2 -","- C30 H56 Ir N P2 -","- C120 H224 Ir4 N4 P8 -","4","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051300p","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100483","23.2568","0.0017","21.2282","0.0016","14.2049","0.001","90","","123.311","0.001","90","","5860.7","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H52 Ir N P2 -","- C28 H52 Ir N P2 -","- C224 H416 Ir8 N8 P16 -","8","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051300p","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100484","6.3945","0.0016","10.532","0.003","8.707","0.002","90","","102.679","0.005","90","","572.1","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O -","- C12 H21 N O -","- C24 H42 N2 O2 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051330s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100485","18.151","0.004","14.728","0.003","16.064","0.003","90","","96.93","0.03","90","","4263","2","293","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cu2 N12 O14 -","- C29 H44 Cu2 N21 O14 -","- C116 H176 Cu8 N84 O56 -","4","1","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100486","10.323","0.005","13.178","0.007","31.61","0.02","90","","94.41","0.02","90","","4287","4","293","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 B2 Cu2 F8 N8 O6 -","- C40 H48 B2 Cu2 F8 N8 O6 -","- C160 H192 B8 Cu8 F32 N32 O24 -","4","1","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100487","14.5986","0.0016","20.862","0.002","28.726","0.003","90","","90","","90","","8748.7","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H48 Cu2 N11 O15 P -","- C39 H46 Cu2 N11 O15 P -","- C312 H368 Cu16 N88 O120 P8 -","8","1","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100488","18.8716","0.001","18.4126","0.0009","14.8895","0.0008","90","","90","","90","","5173.7","0.5","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H52 Cl3 Cu3 N11 O15 -","- C44 H53 Cl3 Cu3 N11 O15 -","- C176 H212 Cl12 Cu12 N44 O60 -","4","0.5","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100489","9.869","0.004","13.787","0.006","29.042","0.012","90","","97.765","0.007","90","","3915","3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 Fe2 N2 O3 P2 S2 -","- C43 H34 Fe2 N2 O3 P2 S2 -","- C172 H136 Fe8 N8 O12 P8 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051584d","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100490","9.8843","0.0003","12.807","0.0004","16.246","0.0005","90","","90","","90","","2056.55","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br2 N3 O3 -","- C20 H17 Br2 N3 O3 -","- C80 H68 Br8 N12 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051650b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100491","8.3448","0.0007","8.2704","0.0007","10.2329","0.0009","90","","110.033","0.001","90","","663.5","0.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051745d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100492","8.5029","0.0007","16.5521","0.0014","9.2757","0.0008","90","","92.45","0.002","90","","1304.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051745d","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100493","10.631","0.003","6.5388","0.0017","15.525","0.004","90","","101.755","0.004","90","","1056.5","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051745d","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100494","15.8683","0.001","11.002","0.002","26.673","0.003","90","","90","","90","","4656.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H23 O P -","- C32 H23 O P -","- C256 H184 O8 P8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100495","9.668","0.0006","18.5565","0.0014","13.8635","0.0017","90","","104.847","0.008","90","","2404.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 O2 -","- C33 H24 O2 -","- C132 H96 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100496","13.085","0.002","11.329","0.002","13.562","0.003","90","","109.002","0.014","90","","1900.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100497","8.7697","0.0009","9.8373","0.0007","18.649","0.002","97.78","0.006","103.258","0.011","99.454","0.007","1519.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 N2 O -","- C40 H32 N2 O -","- C80 H64 N4 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100498","10.2408","0.0005","14.2305","0.0008","17.7423","0.0013","90","","101.205","0.009","90","","2536.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 N2 O -","- C34 H28 N2 O -","- C136 H112 N8 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100499","10.3635","0.0012","11.9949","0.0017","28.844","0.003","90","","99.327","0.008","90","","3538.2","0.8","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl2 Cr N O3 -","- C40 H44 Cl2 Cr N O3 -","- C160 H176 Cl8 Cr4 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100500","10.0877","0.0014","12.7206","0.0013","15.0052","0.0016","68.125","0.006","71.097","0.008","88.279","0.008","1681.4","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 Cl2 Cr N O3 -","- C38 H43 Cl2 Cr N O3 -","- C76 H86 Cl4 Cr2 N2 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100501","13.1266","0.0011","11.6335","0.0004","23.496","0.002","90","","96.357","0.008","90","","3566","0.4","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl Cr N4 O2 -","- C38 H42 Cl Cr N4 O2 -","- C152 H168 Cl4 Cr4 N16 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","0.0491","","","0.1136","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100502","20.824","0.003","9.707","0.002","31.106","0.004","90","","90","","90","","6287.8","1.9","183","2","183","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H29 Cl2 Cr N4 O -","- C37 H29 Cl2 Cr N4 O -","- C296 H232 Cl16 Cr8 N32 O8 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","0.0671","","","0.1491","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100503","10.996","0.002","11.8362","0.0018","19.526","0.003","80.378","0.009","82.022","0.018","69.553","0.019","2338.8","0.7","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H43 Cl2 Cr N6 O -","- C55.995 H42.995 Cl2 Cr N5.999 O -","- C111.99 H85.99 Cl4 Cr2 N11.998 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100504","18","0.003","18","0.003","8.0441","0.0016","90","","90","","90","","2606.1","0.7","4","2","4","2","","","","","","","","6","P -4","P -4","81","CoL4","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100505","18.07","0.003","18.07","0.003","8.0756","0.0016","90","","90","","90","","2636.9","0.7","120","2","120","2","","","","","","","","6","P -4","P -4","81","CoL4","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100506","18.188","0.003","18.188","0.003","8.1281","0.0016","90","","90","","90","","2688.7","0.8","288","2","288","2","","","","","","","","6","P 4/n :2","-P 4a","85","CoL4","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100507","17.958","0.003","17.958","0.003","8.0826","0.0016","90","","90","","90","","2606.6","0.7","4","2","4","2","","","","","","","","6","P 4/n :2","-P 4a","85","NiL4","","","- C52 H60 N12 Ni O12 S -","- C52 H60 N12 Ni O12 S -","- C104 H120 N24 Ni2 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100508","18.028","0.003","18.028","0.003","8.1143","0.0016","90","","90","","90","","2637.2","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","NiL4","","","- C52 H60 N12 Ni O12 S -","- C52 H60 N12 Ni O12 S -","- C104 H120 N24 Ni2 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100509","18.0055","0.0005","18.0055","0.0005","8.0891","0.0003","90","","90","","90","","2622.47","0.14","4","2","4","2","","","","","","","","6","P 4/n :2","-P 4a","85","Zn_4K_p4n","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100510","18.076","0.0005","18.076","0.0005","8.1208","0.0003","90","","90","","90","","2653.41","0.14","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","Zn_120K_P4n","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100511","18.124","0.0006","18.124","0.0006","8.1865","0.0003","90","","90","","90","","2689.1","0.16","296","2","296","2","","","","","","","","6","P 4/n :2","-P 4a","85","ZnL4 D19","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100512","18.084","0.003","18.084","0.003","8.054","0.002","90","","90","","90","","2633.9","0.9","30","2","30","2","","","","","","","","6","P -4","P -4","81","CoTUP","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100513","18.07","0.003","18.07","0.003","8.0756","0.0016","90","","90","","90","","2636.9","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100514","18.028","0.003","18.028","0.003","8.1143","0.0016","90","","90","","90","","2637.3","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 N12 Ni O12 S -","- C52 H60 N12 Ni O12 S -","- C104 H120 N24 Ni2 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100515","17.846","0.003","17.846","0.003","8.3019","0.0017","90","","90","","90","","2644","0.8","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 Cu N12 O12 S -","- C52 H60 Cu N12 O12 S -","- C104 H120 Cu2 N24 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100516","18.076","0.0005","18.076","0.0005","8.1208","0.0003","90","","90","","90","","2653.41","0.14","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100517","8.8381","0.001","18.5394","0.0019","26.865","0.003","90","","90","","90","","4401.9","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 N2 O7 S Si -","- C48 H54 N2 O7 S Si -","- C192 H216 N8 O28 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052151d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100518","16.301","0.002","20.044","0.003","27.789","0.004","90","","95.832","0.003","90","","9033","2","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H109 Fe3 N2 Ni O1.5 P S13 -","- C76 H75 Fe3 N2 Ni O1.5 P S13 -","- C304 H300 Fe12 N8 Ni4 O6 P4 S52 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100519","18.258","0.003","18.942","0.004","27.283","0.004","78.38","0.019","88.961","0.011","81.981","0.013","9152","3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C76.5 H101.25 Fe3 N3.25 O0.25 P2 Pd S13 -","- C76.505 H100.5 Fe3 N3.25 O0.25 P2 Pd S13 -","- C306.02 H402 Fe12 N13 O P8 Pd4 S52 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100520","18.256","0.004","19.011","0.005","27.376","0.008","78.797","0.014","89.16","0.04","81.827","0.016","9225","4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H111.5 Fe3 N3.5 P2 Pt S13 -","- C76 H99 Fe3 N3.5 P2 Pt S13 -","- C304 H396 Fe12 N14 P8 Pt4 S52 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100521","23.945","0.004","34.261","0.006","22.48","0.004","90","","111.899","0.004","90","","17111","5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H101 Fe4 N5 S14 -","- C75 H93 Fe4 N5 S14 -","- C600 H744 Fe32 N40 S112 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100522","12.847","0.003","13.073","0.003","29.484","0.006","87.695","0.004","83.999","0.004","62.947","0.004","4385.6","1.6","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H100.5 Fe4 N2.5 O P S14 -","- C82 H99 Fe4 N2.5 O P S14 -","- C164 H198 Fe8 N5 O2 P2 S28 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100523","9.32","0.002","19.38","0.004","8.096","0.0018","90","","90","","90","","1462.3","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H10 B F4 Mn O3 -","- C15 H10 B F4 Mn O3 -","- C60 H40 B4 F16 Mn4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100524","9.6434","0.0014","15.0779","0.0017","12.3093","0.0019","90","","90.289","0.012","90","","1789.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Mn2 O5 -","- C21 H16 Mn2 O5 -","- C84 H64 Mn8 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100525","12.956","0.003","7.105","0.002","8.327","0.002","90","","90","","90","","766.6","0.3","298","2","298","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C17 H12 Mn2 O5 -","- C17 H12 Mn2 O5 -","- C34 H24 Mn4 O10 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","0.0489","","","0.125","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100526","7.4875","0.0011","11.8536","0.0012","17.787","0.002","90","","90.785","0.01","90","","1578.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Fe Mn O3 -","- C18 H13 Fe Mn O3 -","- C72 H52 Fe4 Mn4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","0.0475","","","0.0973","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100527","12.412","0.003","8.07","0.003","17.78","0.004","90","","102.15","0.02","90","","1741","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Mn2 O6 -","- C18 H12 Mn2 O6 -","- C72 H48 Mn8 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","0.0534","","","0.1204","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100528","8.4388","0.001","10.3101","0.0015","15.789","0.002","90.064","0.013","93.306","0.01","111.463","0.01","1276","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Mn2 O8 P -","- C23 H27 Mn2 O8 P -","- C46 H54 Mn4 O16 P2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","0.0501","","","0.1236","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100529","17.4257","0.001","7.8816","0.0005","11.0119","0.0006","90","","90","","90","","1512.4","0.15","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H8 B F4 Mn O3 -","- C15 H8 B F4 Mn O3 -","- C60 H32 B4 F16 Mn4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100530","10.5826","0.0007","18.6465","0.0012","17.0073","0.0011","90","","98.474","0.001","90","","3319.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H20 B2 F8 Mn2 O6 -","- C38 H20 B2 F8 Mn2 O6 -","- C152 H80 B8 F32 Mn8 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100531","14.636","0.005","25.02","0.009","15.322","0.005","90","","90","","90","","5611","3","90","2","90","2","","","","","","","","7","C m c 21","C 2c -2","36","2{[(μ3-S)(AuCNC6H11)3](PF6)}","","","- C21 H33 Au3 F6 N3 P S -","- C21 H33 Au3 F6 N3 P S -","- C168 H264 Au24 F48 N24 P8 S8 -","8","1","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","264766","2021-05-03","09:48:25",""
"4100532","15.1136","0.0008","26.613","0.0014","15.988","0.0009","90","","90","","90","","6430.7","0.6","190","2","190","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C24 H39 Au3 F6 N3 S Sb -","- C24 H39 Au3 F6 N3 S Sb -","- C192 H312 Au24 F48 N24 S8 Sb8 -","8","1","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","264766","2021-05-03","09:48:25",""
"4100533","14.9353","0.0011","15.7717","0.0012","26.457","0.002","90","","91.1412","0.0014","90","","6231","0.8","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H39 Au3 F6 N3 S Sb -","- C24 H39 Au3 F6 N3 S Sb -","- C192 H312 Au24 F48 N24 S8 Sb8 -","8","4","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates","264766","2021-05-03","09:48:25",""
"4100535","10.1218","0.0016","17.502","0.003","18.76","0.003","108.138","0.003","98.883","0.003","106.553","0.003","2917.5","0.8","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H70 N8 O12 S4 -","- C50 H70 N8 O12 S4 -","- C100 H140 N16 O24 S8 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0529337","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100536","39.028","0.008","7.6664","0.0015","15.523","0.003","90","","96.35","0.03","90","","4615.9","1.6","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H45 N7 O15 S3 -","- C34 H43 N7 O15 S3 -","- C136 H172 N28 O60 S12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0529337","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100537","8.6821","0.0008","10.7405","0.001","24.115","0.002","90","","90","","90","","2248.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O6 S -","- C19 H30 N2 O6 S -","- C76 H120 N8 O24 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0529337","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100538","12.524","0.0019","15.788","0.002","30.928","0.005","90","","90","","90","","6115.4","1.6","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H51 N O2 P2 Ru Si2 -","- C24 H51 N O2 P2 Ru Si2 -","- C192 H408 N8 O16 P16 Ru8 Si16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052973a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100539","12.3817","0.0008","11.1746","0.0007","30.4532","0.0019","90","","100.81","0.001","90","","4138.7","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H60 B2 Cl2 F8 O2 Os P2 -","- C34 H60 B2 Cl2 F8 O2 Os P2 -","- C136 H240 B8 Cl8 F32 O8 Os4 P8 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Modrego, J.; Oñate, E.","Hydride-Alkenycarbyne to Alkenylcarbene Transformation in Bisphosphine-Osmium Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053186g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100540","18.2946","0.0017","10.9593","0.001","21.991","0.002","90","","92.074","0.002","90","","4406.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 B2 F8 N3 Os P2 -","- C39 H63 B2 F8 N3 Os P2 -","- C156 H252 B8 F32 N12 Os4 P8 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Modrego, J.; Oñate, E.","Hydride-Alkenycarbyne to Alkenylcarbene Transformation in Bisphosphine-Osmium Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053186g","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100541","10.5144","0.0007","20.9994","0.0013","13.8029","0.0008","90","","111.103","0.001","90","","2843.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Fe N2 O4 -","- C36 H32 Fe N2 O4 -","- C144 H128 Fe4 N8 O16 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Modrego, J.; Oñate, E.","Hydride-Alkenycarbyne to Alkenylcarbene Transformation in Bisphosphine-Osmium Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053408a","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100542","19.35","0.03","5.11","0.007","6.988","0.01","90","","90","","90","","691.1","1.7","121.1","","","","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C6 H20 Br3 N4 Ni -","- C6 H24 Br3 N4 Ni -","- C12 H48 Br6 N8 Ni2 -","2","0.25","","Mari Sasaki; Shinya Takaishi; Hitoshi Miyasaka; Ken-ichi Sugiura; Masahiro Yamashita","Novel Quasi-One-Dimensional Halogen-Bridged PtII-PtIV Mixed-Valence Compounds with Magnetic Counter-anions, {[Pt(en)2][PtX2(en)2]}3{(MX5)X3}2 12H2O (M=Co2+, Mn2+, and Fe2+; X=Cl- and Br-)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100543","20.8","0.03","5.136","0.006","7.102","0.009","90","","101.33","0.02","90","","744","1.6","121.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Br3 N4 Ni -","- C8 H24 Br3 N4 Ni -","- C16 H48 Br6 N8 Ni2 -","2","0.5","","Mari Sasaki; Shinya Takaishi; Hitoshi Miyasaka; Ken-ichi Sugiura; Masahiro Yamashita","Direct Observation of Real Disorder of Methyl Group of (R)-1,2-Diaminopropane Ligand in Quasi-1D Bromo-Bridged Ni(III) Complex by STM","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100544","5.6585","0.0006","7.9422","0.0008","26.129","0.003","90","","90","","90","","1174.3","0.2","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C48 H64 N8 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100545","11.647","0.003","11.647","0.003","26.381","0.008","90","","90","","90","","3578.5","1.5","213","2","213","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H32 Cl2 Ni P2 -","- C44 H32 Cl2 Ni P2 -","- C176 H128 Cl8 Ni4 P8 -","4","0.5","","Evans, David A.; Thomson, Regan J.","Ni(II) Tol-BINAP-Catalyzed Enantioselective Orthoester Alkylations of N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","30","10506","10507","10.1021/ja053386s","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100546","13.6928","0.0008","15.6738","0.0009","22.562","0.0013","104.489","0.001","98.279","0.001","102.292","0.001","4480","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H30 Ag15 F33 N6 O22 -","- C56 H30 Ag15 F33 N6 O22 -","- C112 H60 Ag30 F66 N12 O44 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100547","8.6188","0.0009","39.546","0.004","13.9061","0.0014","90","","100.988","0.002","90","","4652.8","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H13 Ag8 B0 F18 N3 O14.5 -","- C28 H13 Ag8 F18 N3 O14.5 -","- C112 H52 Ag32 F72 N12 O58 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100548","11.6882","0.0008","13.7871","0.0009","32.499","0.002","90","","97.748","0.001","90","","5189.3","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C62 H18 Ag20 F42 N2 O37 -","- C62 H18 Ag19.996 F42 N2 O37 -","- C124 H36 Ag39.992 F84 N4 O74 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100549","6.575","0.004","34.86","0.02","6.896","0.004","90","","96.31","0.016","90","","1571","1.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100550","12.865","0.004","10.424","0.003","29.519","0.008","90","","99.343","0.005","90","","3906.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 F2 P3 Rh -","- C48 H40 F2 P3 Rh -","- C192 H160 F8 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100551","13.3165","0.0007","19.8008","0.0011","20.23","0.0011","90","","100.206","0.001","90","","5249.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H57 F P3 Rh -","- C66 H57 F P3 Rh -","- C264 H228 F4 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100552","9.702","0.006","22.373","0.013","22.947","0.013","90","","90","","90","","4981","5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H55 F O P3 Rh -","- C58 H55 F O P3 Rh -","- C232 H220 F4 O4 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100553","12.4782","0.0009","20.1446","0.0014","16.0477","0.0011","90","","95.785","0.001","90","","4013.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H41 F3 P3 Rh -","- C48 H41 F3 P3 Rh -","- C192 H164 F12 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100554","36.569","0.003","13.3334","0.0011","26.1782","0.0019","90","","90","","90","","12764.2","1.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C124.5 H113 Cl5 F12 N4 P10 Ru2 -","- C122 H108 F12 N4 P10 Ru2 -","- C488 H432 F48 N16 P40 Ru8 -","4","0.5","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100555","6.4449","0.0003","9.0872","0.0004","9.9654","0.0006","90","0.002","96.794","0.0019","90","0.002","579.54","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,3-dimethylcyclopenta[c]thienyltricarbonylmanganese","","","- C12 H9 Mn O3 S -","- C12 H9 Mn O3 S -","- C24 H18 Mn2 O6 S2 -","2","0.5","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100556","11.1212","0.0002","13.214","0.0002","13.3159","0.0003","66.5713","0.0009","85.037","0.0009","76.7723","0.0009","1747.85","0.06","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","1,3-diphenylcyclopenta[c]thienyltricarbonylmanganese","","","- C22 H13 Mn O3 S -","- C22 H13 Mn O3 S -","- C88 H52 Mn4 O12 S4 -","4","2","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100557","13.0577","0.0012","13.3559","0.0014","22.142","0.002","90","","90","","90","","3861.5","0.6","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 F12 I4 N Na O6 -","- C30 H24 F12 I4 N Na O6 -","- C120 H96 F48 I16 N4 Na4 O24 -","4","1","","Andrea Mele; Pierangelo Metrangolo; Hannes Neukirch; Tullio Pilati; Giuseppe Resnati","A Halogen Bonding-Based Heteroditopic Receptor for Alkali Metal Halides","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100558","15.229","0.002","10.9352","0.0017","20.058","0.003","90","","103.385","0.003","90","","3249.6","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl2 Mo O5 P -","- C32 H41 Cl2 Mo O5 P -","- C128 H164 Cl8 Mo4 O20 P4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100559","30.656","0.01","9.859","0.003","20.754","0.007","90","","122.007","0.004","90","","5319","3","120","0.1","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H37 Mo O3 P S -","- C26 H37 Mo O3 P S -","- C208 H296 Mo8 O24 P8 S8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100560","10.903","0.002","11.395","0.002","12.157","0.002","104.57","0.03","108.57","0.03","103.77","0.03","1299.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H34 Br Mo O3 P -","- C25 H34 Br Mo O3 P -","- C50 H68 Br2 Mo2 O6 P2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100561","8.9","0.0018","23.129","0.005","13.248","0.003","90","","94.72","0.03","90","","2717.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 Mo O3 P S -","- C26 H37 Mo O3 P S -","- C104 H148 Mo4 O12 P4 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100562","6.7184","0.0013","17.702","0.004","22.591","0.005","90","","90","","90","","2686.8","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Br Cl N O3 S2 -","- C27 H29 Br Cl N O3 S2 -","- C108 H116 Br4 Cl4 N4 O12 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100563","34.764","0.007","7.7896","0.0016","8.8527","0.0018","90","","101.6","0.03","90","","2348.3","0.8","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H28 Cl N O3 S2 -","- C22 H28 Cl N O3 S2 -","- C88 H112 Cl4 N4 O12 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100564","7.5875","0.0015","28.279","0.006","10.105","0.002","90","","91.42","0.03","90","","2167.6","0.7","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H12.5 Cl N O3 S2 -","- C22 H26 Cl N O3 S2 -","- C88 H104 Cl4 N4 O12 S8 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100565","8.461","0.001","26.688","0.004","26.69","0.004","60.028","0.015","89.981","0.017","89.782","0.017","5220.8","1.3","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H63 N15 Na4.25 O44.5 P3 U3 -","- C30 H30 N15 Na4.26 O44.215 P3 U3 -","- C60 H60 N30 Na8.52 O88.43 P6 U6 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","286259","2023-09-07","06:00:48",""
"4100566","12.9232","0.0001","19.6316","0.0002","22.5922","0.0003","90","","94.371","0.001","90","","5715.04","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(OEP)(2-MeIm)]K(222)","","","- C58 H85 Fe K N8 O6 -","- C58 H85 Fe K N8 O6 -","- C232 H340 Fe4 K4 N32 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100567","12.431","0.003","21.078","0.004","23.879","0.005","90","","95.74","0.03","90","","6225","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Fe(TPP)(2-MeIm)]K(222)","","","- C69 H71.5 Cl0.5 Fe K N8 O6 -","- C69 H69 Cl0.5 Fe K N8 O6 -","- C276 H276 Cl2 Fe4 K4 N32 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100568","16.115","0.005","11.761","0.003","8.482","0.003","90","","90","","90","","1607.6","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H24 F2 Ir P -","- C14 H22 F2 Ir P -","- C56 H88 F8 Ir4 P4 -","4","0.5","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100569","12.6958","0.0017","17.033","0.002","17.415","0.002","109.33","0.002","100.572","0.002","90.329","0.002","3484.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 F4 Ir P -","- C15 H24 F4 Ir P -","- C120 H192 F32 Ir8 P8 -","8","4","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100570","31.5032","0.0005","30.1445","0.0005","61.3699","0.001","90","","94.982","0.001","90","","58059.6","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","COV-1CdS-TMDPy","","","- C242 H208 Cd32 N4 S50 -","- C236 Cd32 N4 S50 -","- C1888 Cd256 N32 S400 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100571","26.3539","0.0008","34.515","0.001","73.258","0.002","90","","90","","90","","66636","4","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","COV-2CdS-TMDPy","","","- C289 H244 Cd32 N2 P2 S52 -","- C249 Cd32 N2 P2 S52 -","- C1992 Cd256 N16 P16 S416 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100572","30.075","0.0005","58.6144","0.001","31.8999","0.0005","90","","101.945","0.001","90","","55016.4","1.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","COV-3CdS-BPy","","","- C166 H138 Cd17 N2 S30 -","- C162 Cd17 N2 S30 -","- C1944 Cd204 N24 S360 -","12","1.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100573","23.4374","0.0004","18.9054","0.0003","24.3535","0.0004","90","","108.546","0.001","90","","10230.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","COV-4CdS-TMDPy","","","- C97 H84 Cd8 N2 S15 -","- C97 H84 Cd8 N2 S15 -","- C388 H336 Cd32 N8 S60 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100574","8.7703","0.0008","12.6055","0.0012","9.0914","0.0009","90","","118.124","0.002","90","","886.42","0.15","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 I N O3 -","- C16 H20 I N O3 -","- C32 H40 I2 N2 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100575","11.5886","0.0008","18.9715","0.0013","7.2785","0.0005","90","","90","","90","","1600.2","0.19","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C64 H84 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100576","8.6587","0.0005","8.6285","0.0005","10.8061","0.0006","90","","108.403","0.001","90","","766.05","0.08","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C34 H32 Br2 N2 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100577","7.0983","0.0007","11.0402","0.0012","8.6438","0.0009","90","","112.212","0.002","90","","627.12","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 I N O -","- C12 H14 I N O -","- C24 H28 I2 N2 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100578","9.166","0.002","10.794","0.003","17.987","0.004","90","","90","","90","","1779.6","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 I N O -","- C17 H22 I N O -","- C68 H88 I4 N4 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100579","4.688","0.006","13.37","0.02","14.57","0.02","99.62","0.06","97.97","0.05","94.74","0.06","886","7","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 F6 N2 S2 -","- C20 H10 F6 N2 S2 -","- C40 H20 F12 N4 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100580","18.58","0.02","6.736","0.005","7.38","0.007","90","","104.7","0.04","90","","893","5","453.2","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H10 F6 N2 S2 -","- C20 H10 F6 N2 S2 -","- C40 H20 F12 N4 S4 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100581","18.228","0.003","11.9701","0.0019","34.062","0.006","90","","122.355","0.002","90","","6278.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H38 In4 O32 -","- C56 H32 In4 O32 -","- C224 H128 In16 O128 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100582","12.3292","0.0017","12.7323","0.0018","13.4515","0.0019","79.955","0.002","63.53","0.002","89.547","0.002","1855.4","0.5","116","2","116","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.45 H33.75 F6 Mn N5 O11 S2 -","- C32.45 H33.75 F6 Mn N5 O11 S2 -","- C64.9 H67.5 F12 Mn2 N10 O22 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja039283w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100583","12.2904","0.0017","12.4154","0.0018","13.574","0.002","68.808","0.002","71.611","0.002","85.975","0.002","1830.4","0.5","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cl2 Mn N6 O14 -","- C31 H29 Cl2 Mn N6 O12 -","- C62 H58 Cl4 Mn2 N12 O24 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja039283w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100584","11.1722","0.0017","13.105","0.002","19.514","0.003","92.328","0.002","98.748","0.002","94.309","0.003","2812","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H63.5 Cl Mn N10.5 O3 V -","- C55 H63.75 Cl Mn N10.25 O3 V -","- C110 H127.5 Cl2 Mn2 N20.5 O6 V2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438112","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100585","13.959","0.003","42.297","0.015","18.391","0.005","90","","94.814","0.018","90","","10820","5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73.6 H73.6 Cu1.6 N8 O16 -","- C73.6 H73.6 Cu1.6 N8 O16 -","- C368 H368 Cu8 N40 O80 -","5","1.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438112","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100586","8.2324","0.0004","11.8173","0.0005","12.3121","0.0006","90","","102.505","0.001","90","","1169.36","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052098t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100587","12.6016","0.0005","10.6999","0.0005","12.1039","0.0006","90","","90","","90","","1632","0.1","296.2","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H14 Cl N O Se -","- C17 H14 Cl N O Se -","- C68 H56 Cl4 N4 O4 Se4 -","4","1","","Fujiwara, Shin-ichi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052175k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100588","8.952","0.0004","10.9237","0.0005","13.4982","0.0005","90","","107.191","0.002","90","","1261.01","0.09","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 O Se -","- C13 H14 O Se -","- C52 H56 O4 Se4 -","4","1","","Fujiwara, Shin-ichi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052175k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100589","4.8551","0.0002","13.333","0.0005","15.6798","0.0008","97.241","0.002","96.07","0.002","95.031","0.002","996","0.08","150","","","","","","","","","","","5","P 1","P 1","1","","","","- C23 H24 Br N O -","- C23 H24 Br N O -","- C46 H48 Br2 N2 O2 -","2","2","","","Crystal and molecular structure of ca030205","Journal of the American Chemical Society","2005","","","","","10.1021/ja052411r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100590","16.7411","0.0001","28.5619","0.0003","19.501","0.0002","90","","111.975","0.0005","90","","8647.12","0.14","150","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C207 H200 N12 O8 P4 -","- C207 H157 N12 O8 P4 -","- C414 H314 N24 O16 P8 -","2","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja052411r","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100591","13.0823","0.0004","23.5818","0.0009","21.4652","0.0008","90","","101.852","0.001","90","","6480.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H82 B Fe N3 O Si -","- C65 H82 B Fe N3 O Si -","- C260 H328 B4 Fe4 N12 O4 Si4 -","4","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524447","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100592","12.963","0.0006","22.7555","0.001","22.4921","0.0011","90","","99.957","0.001","90","","6534.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H92 B Fe N3 O2 Si -","- C69 H92 B Fe N3 O2 Si -","- C276 H368 B4 Fe4 N12 O8 Si4 -","4","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524447","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100593","15.1477","0.0013","18.5854","0.0013","22.0858","0.0018","90","","96.923","0.002","90","","6172.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H65 B F15 Fe N3 Si2 -","- C59 H65 B F15 Fe N3 Si2 -","- C236 H260 B4 F60 Fe4 N12 Si8 -","4","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524447","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100594","20.5977","0.0019","13.7738","0.0013","15.3609","0.0014","90","","90","","90","","4358","0.7","90","","90","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H1.5 Cl La0.5 S2 -","- C41 H1.5 Cl La0.5 S2 -","- C328 H12 Cl8 La4 S16 -","8","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524806","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100595","18.922","0.004","10.186","0.002","20.927","0.004","90","","106.838","0.003","90","","3860.5","1.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1-(dimesitylfluoroborato)-8-(pentafluorophenylmercury) naphthalenediyl-tris(dimethylamino)sulfonium","","","- C40 H46 B F6 Hg N3 S -","- C40 H46 B F6 Hg N3 S -","- C160 H184 B4 F24 Hg4 N12 S4 -","4","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja053058s","","","","","","","","","","","","","","","","","","","","","has coordinates","120677","2020-10-21","18:00:00",""
"4100596","8.4154","0.0016","9.9386","0.0019","17.397","0.003","80.908","0.003","89.072","0.003","77.901","0.003","1404.7","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","1-(dimesitylboron)-8-(pentafluorophenylmercury)naphthalenediyl","","","- C34 H28 B F5 Hg -","- C34 H28 B F5 Hg -","- C68 H56 B2 F10 Hg2 -","2","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja053058s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100597","9.4932","0.0018","17.566","0.003","27.28","0.005","90","","96.382","0.003","90","","4521","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 F12 N5 O2 P2 -","- C16 H19 F12 N5 O2 P2 -","- C128 H152 F96 N40 O16 P16 -","8","2","","Abdulkareem Melaiye; Zhaohui Sun; Khadijah Hindi; Amy Milsted; Daniel Ely; Darrell H. Reneker; Tessier A. Claire; Wiley J. Youngs","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100598","19.292","0.006","10.259","0.003","20.859","0.006","90","","93.522","0.005","90","","4120","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 Ag2 N10 O7 -","- C33 H34 Ag2 N10 O7 -","- C132 H136 Ag8 N40 O28 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100599","9.793","0.0001","14.426","0.0002","29.275","0.0005","90","","90","","90","","4135.79","0.1","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H31 N O -","- C24 H31 N O -","- C192 H248 N8 O8 -","8","1","","","Efficient Synthesis of Optically Active Atropisomeric Anilides through Catalytic Asymmetric N-Arylation Reaction","Journal of the American Chemical Society","2005","","","","","10.1021/ja042216x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100600","9.93","0.0003","7.879","0.0001","25.78","0.0007","90","","90","","90","","2016.99","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042216x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100601","14.9159","0.0007","14.9159","0.0007","14.9159","0.0007","90","","90","","90","","3318.6","0.3","123","2","123","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C6 H12 Cu N3 O -","- C6 H12 Cu N3 O1.01 -","- C72 H144 Cu12 N36 O12.12 -","12","0.25","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100602","43.733","0.005","26.579","0.003","39.339","0.004","90","","90","","90","","45726","8","123","2","123","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C41 H72 Cu5 N13 -","- C41 H72 Cu5 N13 -","- C1312 H2304 Cu160 N416 -","32","2","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100603","15.7158","0.0006","21.862","0.0008","23.7775","0.0009","90","","108.778","0.008","90","","7734.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H60 Cu6 N18 -","- C84 H60 Cu6 N18 -","- C336 H240 Cu24 N72 -","4","1","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100604","10.4237","0.0009","12.6458","0.001","13.6176","0.0011","67.539","0.001","71.225","0.001","67","0.001","1495.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Cu4 N22 O6 -","- C60 H44 Cu4 N22 O6 -","- C60 H44 Cu4 N22 O6 -","1","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100605","17.4879","0.0011","12.5107","0.0008","21.5927","0.0013","90","","93.604","0.001","90","","4714.8","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H36 Cu5 N21 O5 -","- C48 H36 Cu5 N21 O5 -","- C192 H144 Cu20 N84 O20 -","4","1","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100606","17.4349","0.0009","7.1639","0.0004","18.6729","0.001","90","","110.843","0.001","90","","2179.7","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu N10 -","- C24 H20 Cu N10 -","- C96 H80 Cu4 N40 -","4","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100607","17.4679","0.0008","6.9798","0.0003","19.2699","0.0009","90","","112.332","0.001","90","","2173.22","0.17","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","- C96 H80 N40 Ni4 -","4","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100608","6.9193","0.001","9.4382","0.0013","9.7675","0.0014","81.852","0.003","73.411","0.003","82.154","0.003","602.04","0.15","423","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N10 Ni O2 -","- C24 H24 N10 Ni O2 -","- C24 H24 N10 Ni O2 -","1","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100609","20.4436","0.0013","16.9489","0.0011","23.1265","0.0015","90","","112.007","0.001","90","","7429.4","0.8","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H93 B4 Cu9 F16 N40 O8 -","- C96 H93.04 B4 Cu9 F16 N40 O8.02 -","- C192 H186.08 B8 Cu18 F32 N80 O16.04 -","2","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100610","31.667","0.002","10.4902","0.0007","21.2886","0.0015","90","","90","","90","","7071.8","0.8","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H24 Cl3 Cu6 N15 -","- C36 H24 Cl3 Cu6 N15 -","- C288 H192 Cl24 Cu48 N120 -","8","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100611","10.4549","0.0008","13.4937","0.001","8.6815","0.0007","90","","100.579","0.002","90","","1203.93","0.16","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu2 N4 O10 -","- C20 H24 Cu2 N4 O10 -","- C40 H48 Cu4 N8 O20 -","2","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100612","8.0017","0.0007","8.5956","0.0007","10.5915","0.0009","79.648","0.004","79.043","0.003","78.855","0.004","693.94","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H2 Cu N3 -","- C2 H2 Cu N3 -","- C16 H16 Cu8 N24 -","8","4","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100613","8.127","0.0006","8.7159","0.0007","11.4385","0.0009","80.177","0.004","79.31","0.006","84.147","0.006","782.43","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H2 Ag N3 -","- C2 H2 Ag N3 -","- C16 H16 Ag8 N24 -","8","4","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100614","6.314","0.003","7.148","0.003","16.263","0.006","90","","90","","90","","734","0.5","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 N3 O2 -","- C5 H11 N3 O2 -","- C20 H44 N12 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042258l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100615","28.764","0.009","19.258","0.006","32.519","0.01","90","","114.012","0.005","90","","16455","9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C144 H268 Co18 N96 O86 W12 -","- C144 H268 Co18 N96 O86 W12 -","- C288 H536 Co36 N192 O172 W24 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042334k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100616","28.72","0.02","19.276","0.013","32.49","0.02","90","","114.241","0.012","90","","16403","20","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C152 H288 Co18 Mo12 N96 O88 -","- C152 H288 Co18 Mo12 N96 O88 -","- C304 H576 Co36 Mo24 N192 O176 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042334k","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100617","9.3834","0.0006","24.0014","0.0016","14.5305","0.0009","90","","93.104","0.001","90","","3267.7","0.4","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N O9 P Ru3 -","- C32 H20 N O9 P Ru3 -","- C128 H80 N4 O36 P4 Ru12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042510p","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100618","10.4744","0.0006","23.1133","0.0011","30.5198","0.0017","90","","90","","90","","7388.8","0.7","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H29 N O5 P2 Ru2 -","- C40 H29 N O5 P2 Ru2 -","- C320 H232 N8 O40 P16 Ru16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042510p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100619","34.013","0.002","8.9515","0.0005","18.0183","0.0011","90","","121.221","0.001","90","","4691.4","0.5","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 N2 O6 P2 Ru3 -","- C52 H40 N2 O6 P2 Ru3 -","- C208 H160 N8 O24 P8 Ru12 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042510p","","","","","","","","","","","","","","","","","","","","","has coordinates","201214","2020-10-21","18:00:00",""
"4100620","11.64","0.003","6.8189","0.0019","15.419","0.004","90","","107.106","0.005","90","","1169.7","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfamethoxazole","","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C40 H44 N12 O12 S4 -","4","1","","Price, C.P.; Grzesiak, A.L.; Matzger, A.J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042561m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100621","5.4895","0.0009","16.761","0.003","12.422","0.002","90","","97.08","0.002","90","","1134.2","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C40 H44 N12 O12 S4 -","4","1","","Price, C.P.; Grzesiak, A.L.; Matzger, A.J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042561m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100622","17.543","0.003","6.1234","0.001","12.0521","0.0019","90","","105.708","0.004","90","","1246.3","0.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Price, C.P.; Grzesiak, A.L.; Matzger, A.J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042595u","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100623","20.881","0.01","8.843","0.004","10.102","0.005","90","","92.772","0.01","90","","1863.1","1.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","Price, C.P.; Grzesiak, A.L.; Matzger, A.J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042595u","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100624","5.2632","0.0002","12.3766","0.0005","13.1225","0.0006","90","","90","","90","","854.81","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 H7 N9 O4 -","- C8 H28 N36 O16 -","- C8 H28 N36 O16 -","","","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042596m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100625","8.536","0.004","19.159","0.008","11.715","0.005","90","","91.962","0.009","90","","1914.8","1.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042636m","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100626","13.9427","0.0014","15.7739","0.0016","12.9419","0.0014","90","","91.362","0.002","90","","2845.5","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H34 I2 N2 Si2 -","- C22 H34 I2 N2 Si2 -","- C88 H136 I8 N8 Si8 -","4","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042636m","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100627","5.7943","0.0006","10.6358","0.0011","15.5975","0.0016","90","","90.385","0.002","90","","961.21","0.17","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C52 H40 N4 -","2","0.5","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042636m","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100628","9.2317","0.0001","11.5165","0.0002","17.5796","0.0003","85.575","0.001","89.308","0.001","89.733","0.001","1863.29","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H64 N2 O3 W2 -","- C35 H64 N2 O3 W2 -","- C70 H128 N4 O6 W4 -","2","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja0426692","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100629","22.1618","0.0003","13.0316","0.0002","17.9373","0.0003","90","","131.682","0.002","90","","3868.93","0.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Complex 3","","","- C22 H33 N O W -","- C22 H33 N O W -","- C176 H264 N8 O8 W8 -","8","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja0426692","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100630","32.6504","0.0013","32.6504","0.0013","32.6504","0.0013","90","","90","","90","","34807","2","258","2","258","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","IRMOP-50","","","- C108 H84 Fe12 N12 O84 S12 -","- C108 H84 Fe12 N12 O88 S12 -","- C432 H336 Fe48 N48 O352 S48 -","4","0.0416667","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100631","32.6504","0.0013","32.6504","0.0013","32.6504","0.0013","90","","90","","90","","34807","2","258","2","258","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","IRMOP-50","","","- C108 H84 Fe12 N12 O76 S12 -","- C108 H84 Fe12 N12 O76 S12 -","- C432 H336 Fe48 N48 O304 S48 -","4","0.0416667","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100632","25.8626","0.0009","26.8359","0.0009","28.1926","0.001","75.138","0.001","88.568","0.001","63.783","0.001","16878.6","1","258","2","258","2","","","","","","","","6","P -1","-P 1","2","IRMOP-51t","","","- C212.5 H100 Fe12 N36.5 O90 S12 -","- C212.5 H100 Fe12 N36.5 O90 S12 -","- C425 H200 Fe24 N73 O180 S24 -","2","1","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4100633","25.8626","0.0009","26.8359","0.0009","28.1926","0.001","75.138","0.001","88.568","0.001","63.783","0.001","16878.6","1","258","2","258","2","","","","","","","","6","P -1","-P 1","2","IRMOP-51t","","","- C144 H100 Fe12 N12 O76 S12 -","- C144 H100 Fe12 N12 O76 S12 -","- C288 H200 Fe24 N24 O152 S24 -","2","1","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4100634","38.508","0.009","38.508","0.009","38.508","0.009","90","","90","","90","","57102","24","153","2","153","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","IRMOF-51c","","","- C150 H108 Fe12 N18 O76 S12 -","- C150 H108 Fe12 N18 O76 S12 -","- C600 H432 Fe48 N72 O304 S48 -","4","0.0416667","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100635","38.508","0.009","38.508","0.009","38.508","0.009","90","","90","","90","","57101.8","23.1","153","2","153","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","IRMOF-51c","","","- C144 H108 Fe12 N12 O76 S12 -","- C144 H108 Fe12 N12 O76 S12 -","- C576 H432 Fe48 N48 O304 S48 -","4","0.0416667","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100636","43.73","0.004","22.671","0.002","41.328","0.004","90","","120.182","0.002","90","","35418","6","258","2","258","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","IRMOP-52","","","- C226 H132 Fe12 N26 O94 S12 -","- C226 H132 Fe12 N26 O94 S12 -","- C904 H528 Fe48 N104 O376 S48 -","4","0.5","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100637","43.73","0.004","22.671","0.002","41.328","0.004","90","","120.182","0.002","90","","35418","6","258","2","258","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","IRMOP-52","","","- C168 H132 Fe12 N12 O76 S12 -","- C168 H132 Fe12 N12 O76 S12 -","- C672 H528 Fe48 N48 O304 S48 -","4","0.5","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100638","31.642","0.003","31.762","0.003","31.83","0.003","75.847","0.002","75.264","0.002","60.155","0.002","26568","4","293","2","258","2","","","","","","","","6","P -1","-P 1","2","IRMOF-53","","","- C188.5 H132 Fe12 N13.5 O104.5 S12 -","- C188.5 H132 Fe12 N13.5 O104.5 S12 -","- C377 H264 Fe24 N27 O209 S24 -","2","1","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100639","31.642","0.003","31.762","0.003","31.83","0.003","75.847","0.002","75.264","0.002","60.155","0.002","26568","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","IRMOF53","","","- C180 H132 Fe12 N12 O76 S12 -","- C180 H132 Fe12 N12 O76 S12 -","- C360 H264 Fe24 N24 O152 S24 -","2","1","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100640","26.8549","0.0013","26.8549","0.0013","40.9221","0.0019","90","","90","","90","","29512","2","258","2","258","2","","","","","","","","6","I 41/a :2","-I 4ad","88","IRMOP-54","","","- C180 H120 Fe12 N16 O115 S12 -","- C180 H120 Fe12 N16 O115 S12 -","- C720 H480 Fe48 N64 O460 S48 -","4","0.25","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100641","9.5634","0.0002","13.7333","0.0004","22.4731","0.0007","90","","90","","90","","2951.55","0.14","173","2","173","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C35 H30 N2 O7 U -","- C35 H30 N2 O7 U -","- C140 H120 N8 O28 U4 -","4","0.5","","Nissinen Maija; Cametti Massimo; Dalla Cort Antonella; Rissanen Kari; Mandolini Luigi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100642","9.6034","0.0001","13.323","0.0002","23.3439","0.0003","90","","90","","90","","2986.76","0.07","173","2","173","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C36 H29 N3 O6 U -","- C36 H29 N3 O6 U -","- C144 H116 N12 O24 U4 -","4","0.5","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100643","32.4597","0.0007","15.9145","0.0004","26.1849","0.0004","90","","120.983","0.001","90","","11596.6","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H52 Cl Cs N6 O12 U2 -","- C59 H50 Cl Cs N6 O12 U2 -","- C472 H400 Cl8 Cs8 N48 O96 U16 -","8","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","214503","2020-10-21","18:00:00",""
"4100644","16.3779","0.0007","13.9653","0.0006","16.6928","0.0005","90","","107.568","0.002","90","","3639.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cs F N4 O6 U -","- C38 H32 Cs F N4 O6 U -","- C152 H128 Cs4 F4 N16 O24 U4 -","4","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100645","12.0338","0.0003","12.362","0.0003","14.5835","0.0005","108.135","0.002","97.069","0.001","108.179","0.002","1899.66","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Cl Cs N4 O6 U -","- C38 H32 Cl Cs N4 O6 U -","- C76 H64 Cl2 Cs2 N8 O12 U2 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100646","14.3905","0.0002","15.2086","0.0003","15.5041","0.0003","93.2582","0.0007","107.142","0.0007","100.843","0.001","3161.7","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Cl K N4 O14 U2 -","- C70 H60 Cl K N4 O14 U2 -","- C140 H120 Cl2 K2 N8 O28 U4 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100647","11.8754","0.0004","12.2205","0.0005","14.6154","0.0007","107.79","0.002","96.735","0.002","108.296","0.002","1863.44","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32.5 Cl N4 O6.25 Rb U -","- C38 H32 Cl N4 O6.25 Rb U -","- C76 H64 Cl2 N8 O12.5 Rb2 U2 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100648","12.5316","0.0005","13.5637","0.0004","13.9037","0.0005","99.611","0.002","101.62","0.002","91.385","0.002","2278.26","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H37 Cl3 N4 O11 U2 -","- C43 H37 Cl3 N4 O11 U2 -","- C86 H74 Cl6 N8 O22 U4 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","214503","2020-10-21","18:00:00",""
"4100649","12.5727","0.0005","16.8834","0.0008","9.4789","0.0003","90","","90","","90","","2012.09","0.14","173","2","173","2","","","","","","","","5","C c m 21","C 2c -2c","36","","","","- C22 H17 N3 O4 U -","- C22 H17 N3 O4 U -","- C88 H68 N12 O16 U4 -","4","0.5","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100650","18.859","0.016","24.37","0.02","15.585","0.014","90","","111.17","0.08","90","","6680","10","293","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","6-AmCio-b-CD","","","- C51 H57 N O43 -","- C51 H57 N O43 -","- C204 H228 N4 O172 -","4","1","","Nissinen, Maija; Cametti, Massimo; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042840+","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100651","20.11","0.02","21.94","0.02","16.054","0.017","90","","114.11","0.04","90","","6466","12","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","calix[4]arene-diester-diazide","","","- C62 H86 N6 O12 -","- C62 H86 N6 O12 -","- C248 H344 N24 O48 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042882y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100652","10.6806","0.0013","13.271","0.0016","14.7945","0.0018","90","","90.257","0.002","90","","2097","0.4","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O2 Si -","- C22 H34 O2 Si -","- C88 H136 O8 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042893r","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100653","6.3526","0.0008","19.973","0.003","14.0526","0.0017","90","","93.574","0.002","90","","1779.6","0.4","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 O2 Si -","- C17 H32 O2 Si -","- C68 H128 O8 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042893r","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100654","12.42","0.003","12.547","0.003","12.71","0.003","94.592","0.004","117.208","0.004","115.894","0.004","1484.6","0.6","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H82 Cl6 Fe6 N2 Ni2 P2 S6 -","- C34 H82 Cl6 Fe6 N2 Ni2 P2 S6 -","- C34 H82 Cl6 Fe6 N2 Ni2 P2 S6 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100655","16.947","0.002","16.975","0.002","20.846","0.003","90","","90","","90","","5996.7","1.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H70 Cl4 Cu4 Fe4 P4 S6 -","- C36.94 H70 Cl4 Cu4 Fe4 P4 S6 -","- C147.76 H280 Cl16 Cu16 Fe16 P16 S24 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100656","13.9364","0.0018","15.934","0.002","15.719","0.002","90","","96.004","0.002","90","","3471.6","0.8","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H51 Cl3 Cu Fe3 N P S3 -","- C44 H102 Cl6 Cu2 Fe6 N2 P2 S6 -","- C88 H204 Cl12 Cu4 Fe12 N4 P4 S12 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100657","19.9487","0.0016","19.9487","0.0016","26.536","0.005","90","","90","","120","","9145.2","1.9","123","2","123","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C36 H84 Cl4 Fe4 Ni4 P4 S6 -","- C36 H84 Cl4 Fe4 Ni4 P4 S6 -","- C216 H504 Cl24 Fe24 Ni24 P24 S36 -","6","0.333333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100658","21.5707","0.0015","21.4607","0.0015","23.8297","0.0017","90","","90","","90","","11031.3","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","{(PNP)cu}2","","","- C56 H88 Cu2 N2 P4 -","- C56 H88 Cu2 N2 P4 -","- C448 H704 Cu16 N16 P32 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043092r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100659","21.143","0.003","12.572","0.002","23.8","0.003","90","","108.62","0.05","90","","5995.1","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C126 H146 N9 O14.5 -","- C126 H146 N9 O14.5 -","- C252 H292 N18 O29 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043116u","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100660","14.971","0.005","8.349","0.003","21.008","0.007","90","","98.835","0.007","90","","2594.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H32 N2 O3 S -","- C27 H32 N2 O3 S -","- C108 H128 N8 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0432968","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100661","12.0567","0.0007","21.0432","0.0012","16.1596","0.0009","90","","101.502","0.001","90","","4017.5","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 Au2 Cl3 P2 -","- C45 H39 Au2 Cl3 P2 -","- C180 H156 Au8 Cl12 P8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043401d","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100662","12.061","0.005","9.564","0.004","8.887","0.004","90","","110.683","0.007","90","","959.1","0.7","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 Cu N2 O5 -","- C6 H14 Cu N2 O5 -","- C24 H56 Cu4 N8 O20 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043461j","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100663","9.6257","0.0008","19.4236","0.0014","11.1331","0.0008","90","","94.26","0.003","90","","2075.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H36 N2 O3 -","- C18 H35 N2 O3 -","- C72 H140 N8 O12 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043470s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100664","12.7464","0.0002","15.0932","0.0002","18.6957","0.0003","95.3241","0.0007","95.2033","0.0007","108.001","0.0007","3378.78","0.09","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C158 H134 Cl6 N6 O18 -","- C158 H134 Cl6 N6 O18 -","- C158 H134 Cl6 N6 O18 -","1","0.5","","Scherer, Lukas J.; Merz, Leo; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Hermann, B. A.","Conformational Analysis of Self-Organized Monolayers with Scanning Tunneling Microscopy at Near-Atomic Resolution","Journal of the American Chemical Society","2005","127","11","4033","4041","10.1021/ja043638+","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4100665","6.413","0.01","7.285","0.012","14.211","0.016","81.839","0.01","80.624","0.01","79.736","0.007","640.2","1.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O -","- C13 H22 O -","- C26 H44 O2 -","2","1","","Bhargava, Surbhi; Hou, Jianjun; Parvez, Masood; Sorensen, Ted S.","Preparation and Crystal Structure of Two Bicyclo[1.1.0]butan-2-ones. A Hybrid Oxyallyl-Cyclopropanone Motif","Journal of the American Chemical Society","2005","","","","","10.1021/ja043646q","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100666","6.659","0.004","10.52","0.005","10.674","0.005","96.64","0.03","95.54","0.03","107.96","0.03","699.6","0.6","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 O -","- C15 H26 O -","- C30 H52 O2 -","2","1","","Bhargava, Surbhi; Hou, Jianjun; Parvez, Masood; Sorensen, Ted S.","Preparation and Crystal Structure of Two Bicyclo[1.1.0]butan-2-ones. A Hybrid Oxyallyl-Cyclopropanone Motif","Journal of the American Chemical Society","2005","","","","","10.1021/ja043646q","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100667","19.2943","0.0016","10.5163","0.0009","15.1501","0.0013","90","","104.137","0.0016","90","","2980.9","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Mes*NP-TMEDA]OTf","","","- C25 H45 F3 N3 O3 P S -","- C25 H45 F3 N3 O3 P S -","- C100 H180 F12 N12 O12 P4 S4 -","4","1","","Neil Burford; Andrew D. Phillips; Heather A. Spinney; Michael Lumsden; Ulrike Werner-Zwanziger; Michael J. Ferguson; Robert McDonald","Hypervalent, low coordinate phosphorus(III) centers in complexes of the phosphadiazonium cation with chelating ligands","Journal of the American Chemical Society","2005","","","","","10.1021/ja043691y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100668","17.492","0.0008","14.717","0.0007","19.1407","0.0009","90","","101.393","0.001","90","","4830.3","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Mes*NP-DIPHOS]OTf","","","- C51 H59 F3 N O3 P3 S -","- C51 H59 F3 N O3 P3 S -","- C204 H236 F12 N4 O12 P12 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043691y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100669","10.033","0.0005","12.5898","0.0006","18.1171","0.0009","106.487","0.0008","100.808","0.0008","98.1714","0.0008","2108.54","0.18","193","2","193","2","","","","","","","","7","P -1","-P 1","2","[Mes*NP-PMDETA]OTf","","","- C37 H65 F3 N4 O3.5 P S -","- C35 H60 F3 N4 O3 P S -","- C70 H120 F6 N8 O6 P2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043691y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100670","16.2258","0.0006","17.1365","0.0007","20.7837","0.0008","90","","104.053","0.001","90","","5606","0.4","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(Tp-OCH3PP)(2-MeHIm)]","","","- C66.6 H54.7 Cl2.3 Fe N6.4 O4 -","- C66.79 H54.1 Cl2.3 Fe N6.39 O4 -","- C267.16 H216.4 Cl9.2 Fe4 N25.56 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044077p","","","","","","","0.0496","","","0.1258","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100671","9.7135","0.0011","10.7474","0.0013","25.525","0.003","85.98","0.002","87.73","0.002","74.323","0.003","2558.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Fe(Tp-OCH3PP)(1,2-Me2Im)]","","","- C62 H56 Cl Fe N6 O4 -","- C62 H56 Cl Fe N6 O4 -","- C124 H112 Cl2 Fe2 N12 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044077p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100672","13.0504","0.0008","9.4303","0.0006","35.931","0.002","90","","98.468","0.001","90","","4373.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Fe(TPP)(1,2-DiMeHIm)]","","","- C56 H44 Fe N6 -","- C56 H44 Fe N6 -","- C224 H176 Fe4 N24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044077p","","","","","","","0.0396","","","0.1077","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100673","13.9178","0.0003","22.8372","0.0004","15.4107","0.0003","90","","96.999","0.001","90","","4861.69","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(TTP)(2-MeHIM)","","","- C61 H54 Cl Fe N6 -","- C61 H54 Cl Fe N6 -","- C244 H216 Cl4 Fe4 N24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044077p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100674","7.2444","0.0009","7.2444","0.0009","28.417","0.005","90","","90","","90","","1491.4","0.4","123.2","","","","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C32 H12 Cs2 Cu7 Mo4 N32 O6 -","- C32 Cs2 Cu7 Mo4 N32 O6 -","- C32 Cs2 Cu7 Mo4 N32 O6 -","1","0.03125","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044107o","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100675","10.5722","0.0004","10.5722","0.0004","10.5722","0.0004","90","","90","","90","","1181.67","0.08","293","2","293","2","","","","","","","","7","P -4 3 m","P -4 2 3","215","Guanidinium tetramethoxyborate hexafluorophosphate solvate","","","- C18 H68 B3 F6 N12 O14 P -","- C16 H60 B3 N12 O12 -","- C16 H60 B3 N12 O12 -","1","0.0416667","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044200c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100676","10.6139","0.0004","10.6139","0.0004","10.6139","0.0004","90","","90","","90","","1195.71","0.08","293","2","293","2","","","","","","","","6","P -4 3 m","P -4 2 3","215","Guanidinium tetramethoxyborate chloride solvate","","","- C20 H76 B3 Cl N12 O16 -","- C16 H60 B3 N12 O12 -","- C16 H60 B3 N12 O12 -","1","0.0416667","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044200c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100677","8.6678","0.0011","14.629","0.0018","22.004","0.003","101.23","0.002","94.949","0.002","91.42","0.002","2724.1","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H64 Ir4 O12 P2 Pt2 -","- C44 H64 Ir4 O12 P2 Pt2 -","- C88 H128 Ir8 O24 P4 Pt4 -","2","1","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100678","41.4988","0.0013","27.064","0.0009","25.7975","0.0008","90","","90","","90","","28973.8","1.6","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H108 Ir8 O12 P4 Pt4 -","- C60 H108 Ir8 O12 P4 Pt4 -","- C720 H1296 Ir96 O144 P48 Pt48 -","12","1.5","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100679","19.6831","0.0006","15.6634","0.0004","25.1088","0.0007","90","","91.732","0.001","90","","7737.6","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H111 Ir6 N O10 P4 Pt4 -","- C60 H111 Ir6 N O10 P4 Pt4 -","- C240 H444 Ir24 N4 O40 P16 Pt16 -","4","1","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100680","12.508","0.0007","14.9767","0.0009","23.6748","0.0014","105.119","0.001","99.902","0.001","104.222","0.001","4016","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H132 Ir6 O10 P4 Pt4 -","- C64 H132 Ir6 O10 P4 Pt4 -","- C128 H264 Ir12 O20 P8 Pt8 -","2","1","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100681","7.09","0.001","7.09","0.001","45.566","0.009","90","","90","","120","","1983.6","0.6","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","Platinindiumfluorogallateoxogallate","","","- F15 Ga3 In14 O8 Pt2 -","- F45 Ga9 In42 O24 Pt6 -","- F45 Ga9 In42 O24 Pt6 -","1","0.0277778","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044389s","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100682","14.402","0.002","9.5935","0.0017","15.103","0.003","90","","107.905","0.003","90","","1985.6","0.6","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl N O2 Ti -","- C20 H30 Cl N O2 Ti -","- C80 H120 Cl4 N4 O8 Ti4 -","4","1","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044512f","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100683","10.3411","0.0007","12.6338","0.0008","17.9017","0.001","105.505","0.007","92.569","0.007","90.395","0.008","2251","0.3","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H38 Eu N11 O13 -","- C43 H38 Eu N11 O13 -","- C86 H76 Eu2 N22 O26 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100684","10.9828","0.0009","12.6817","0.0012","15.6892","0.0014","94.346","0.011","105.641","0.01","98.462","0.011","2066","0.4","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H32 N9 O13 Yb -","- C39 H29 N9 O13 Yb -","- C78 H58 N18 O26 Yb2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100685","11.4075","0.0009","15.8957","0.0012","17.4287","0.0012","76.098","0.008","76.094","0.009","71.858","0.009","2868","0.5","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 N10 O19 Zn -","- C52 H62 N10 O19 Zn -","- C104 H124 N20 O38 Zn2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100686","10.1303","0.0007","11.052","0.0009","18.7876","0.0016","96.292","0.01","93.702","0.009","101.232","0.009","2042.8","0.3","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H35 La N8 O14 -","- C40 H35 La N8 O14 -","- C80 H70 La2 N16 O28 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100687","8.9867","0.0003","14.0148","0.0006","30.7044","0.0011","90","","92.808","0.004","90","","3862.5","0.3","200","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H41 N5 O10 -","- C43 H41 N5 O10 -","- C172 H164 N20 O40 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100688","14.8858","0.0008","15.1794","0.0009","23.6556","0.0013","93.033","0.007","106.13","0.006","118.204","0.006","4416.7","0.6","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H76 Lu2 N16 O29 -","- C83 H76 Lu2 N16 O29 -","- C166 H152 Lu4 N32 O58 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100689","19.2252","0.0008","13.829","0.0004","33.1357","0.0015","90","","90","","90","","8809.6","0.6","200","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C80 H68 Eu2 N19 O26.5 -","- C80 H67 Eu2 N19 O26.5 -","- C320 H268 Eu8 N76 O106 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100690","13.2588","0.0008","10.3996","0.0006","17.3331","0.001","90","","108.54","0.001","90","","2266","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C64 H72 F48 N8 O16 Zn4 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100691","18.216","0.006","10.448","0.002","13.242","0.004","90","","105.617","0.015","90","","2427.2","1.1","280","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C64 H72 F48 N8 O16 Zn4 -","4","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100692","10.7229","0.0011","17.7077","0.0019","24.76","0.003","90","","90.914","0.002","90","","4700.8","0.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C128 H144 F96 N16 O32 Zn8 -","8","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100693","18.284","0.014","12.623","0.01","20.466","0.016","90","","90","","90","","4723","6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H8 Al F15 O2 -","- C23 H8 Al F15 O2 -","- C184 H64 Al8 F120 O16 -","8","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100694","11.939","0.003","12.033","0.003","12.538","0.003","72.016","0.004","61.72","0.004","67.79","0.004","1449.9","0.6","169","2","169","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H46 Li3 O6 -","- C24 H46 Li3 O6 -","- C48 H92 Li6 O12 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100695","9.119","0.007","24.277","0.017","17.121","0.012","90","","93.528","0.016","90","","3783","5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 Al Li O4 -","- C38 H62 Al Li O4 -","- C152 H248 Al4 Li4 O16 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100696","25.957","0.0012","10.0679","0.0005","21.0622","0.001","90","","120.673","0.001","90","","4734.2","0.4","294","1","294","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H48 B2 Fe N12 -","- C52 H48 B2 Fe N12 -","- C208 H192 B8 Fe4 N48 -","4","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100697","15.297","0.0009","11.9528","0.0007","14.1961","0.0008","90","","97.659","0.001","90","","2572.5","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 B2 Fe N12 Si2 -","- C46 H56 B2 Fe N12 Si2 -","- C92 H112 B4 Fe2 N24 Si4 -","2","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100698","19.2722","0.001","10.1801","0.0005","20.1124","0.001","90","","92.995","0.001","90","","3940.5","0.3","294","1","294","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100699","19.1932","0.001","10.1436","0.0005","19.6711","0.001","90","","93.812","0.001","90","","3821.3","0.3","150","1","150","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100700","18.7923","0.001","10.1073","0.0005","19.8578","0.001","90","","94.987","0.001","90","","3757.5","0.3","90","1","90","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100701","18.0097","0.0009","16.9596","0.0008","23.1091","0.0011","90","","93.64","0.001","90","","7044.1","0.6","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C73.5 H120 Sm3 -","- C73.5 H99 Sm3 -","- C294 H396 Sm12 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100702","10.7702","0.0005","27.0242","0.0012","14.1407","0.0006","90","","108.459","0.001","90","","3904","0.3","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 Lu2 -","- C42 H66 Lu2 -","- C168 H264 Lu8 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100703","15.9095","0.0015","9.9404","0.0009","15.1263","0.0014","90","","90","","90","","2392.2","0.4","163","2","163","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H37 Sm -","- C27 H37 Sm -","- C108 H148 Sm4 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100704","10.2195","0.0005","11.0809","0.0006","13.9199","0.0007","104.571","0.001","99.493","0.001","108.219","0.001","1397.33","0.12","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H88 O4 Sm2 -","- C62 H88 O4 Sm2 -","- C62 H88 O4 Sm2 -","1","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100705","10.2254","0.0009","10.5715","0.001","12.7887","0.0012","87.415","0.002","75.338","0.001","68.223","0.001","1240.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 O4 Sm2 -","- C56 H74 O4 Sm2 -","- C56 H74 O4 Sm2 -","1","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176914","2020-10-21","18:00:00",""
"4100706","32.132","0.003","21.368","0.002","23.512","0.002","90","","105.523","0.002","90","","15554","2","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H82 O4 Si2 Sm2 -","- C50 H82 O4 Si2 Sm2 -","- C600 H984 O48 Si24 Sm24 -","12","1.5","","William J. Evans; Jeremy M. Perotti; Joseph W. Ziller","Trialkylboron/Lanthanide Metallocene Hydride Chemistry: Polydentate Bridging of (HBEt3)- to Lanthanum","Inorganic Chemistry","2005","44","","5820","5825","10.1021/ic0501061","","","0.71073","MoKα","","0.0574","0.0301","","","0.0646","0.0776","","","","","","1.07","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100707","11.2987","0.0004","14.7901","0.0005","15.8237","0.0006","108.725","0.002","104.597","0.002","105.35","0.002","2244.56","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H68 B2 Cu2 F40 N10 O3 -","- C89 H60 B2 Cu2 F40 N10 O3 -","- C89 H60 B2 Cu2 F40 N10 O3 -","1","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100708","11.0861","0.0005","12.1285","0.0005","16.1999","0.0007","68.696","0.001","81.587","0.001","88.82","0.001","2006.27","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H48 B2 Cu2 F40 N6 O6 -","- C82 H48 B2 Cu2 F40 N6 O6 -","- C82 H48 B2 Cu2 F40 N6 O6 -","1","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100709","13.1013","0.0014","14.4428","0.0016","16.9894","0.0019","77.984","0.002","67.962","0.001","89.536","0.002","2905.8","0.6","98","2","98","2","","","","","","","","7","P -1","-P 1","2","[PhBP3]CoOSiPh3","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100710","38.2238","0.0008","38.2238","0.0008","12.4091","0.0005","90","","90","","90","","18130.4","0.9","98","2","98","2","","","","","","","","6","I 41/a :2","-I 4ad","88","[PhBP3]CoO(4-tBu-Ph)","","","- C55 H54 B Co O P3 -","- C55 H54 B Co O P3 -","- C880 H864 B16 Co16 O16 P48 -","16","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100711","16.8066","0.0016","14.0767","0.0013","19.2736","0.0018","90","","113.801","0.002","90","","4172","0.7","96","","96","2","","","","","","","","6","P 1 21 1","P 2yb","4","[PhBP3]CoSPh","","","- C102 H92 B2 Co2 P6 S2 -","- C51 H46 B Co P3 S -","- C204 H184 B4 Co4 P12 S4 -","4","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100712","12.0158","0.0009","12.5469","0.0009","15.5078","0.0012","77.78","0.001","77.546","0.001","77.919","0.001","2198.2","0.3","100","","100","2","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,6-Me2-Ph)","","","- C53 H50 B Co P3 S -","- C53 H50 B Co P3 S -","- C106 H100 B2 Co2 P6 S2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100713","15.3738","0.0011","17.3171","0.0013","20.7953","0.0015","65.655","0.001","87.329","0.002","88.642","0.002","5038.5","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,4,6-iPr-Ph)","","","- C60 H64 B Co P3 S -","- C60 H64 B Co P3 S -","- C240 H256 B4 Co4 P12 S4 -","4","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100714","13.8333","0.001","13.9539","0.001","17.5922","0.0013","99.145","0.001","106.587","0.001","107.029","0.001","3000.8","0.4","96","","96","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,4,6-tBu-Ph)","","","- C69 H76 B Co P3 S -","- C69 H76 B Co P3 S -","- C138 H152 B2 Co2 P6 S2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100715","11.0416","0.0008","12.8426","0.0009","22.3975","0.0015","87.228","0.001","81.435","0.001","73.024","0.001","3003.7","0.4","96","","96","","","","","","","","","7","P -1","-P 1","2","[PhBP3]CoSSiPh3","","","- C75 H68 B Co P3 S Si -","- C75 H68 B Co P3 S Si -","- C150 H136 B2 Co2 P6 S2 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100716","12.1092","0.0011","12.3919","0.0011","21.3227","0.0019","80.696","0.002","75.993","0.002","72.962","0.001","2954","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","[PhBP3]CoO(4-NMe2-Ph)3","","","- C69 H71 B Co N3 O P3 Si -","- C69 H71 B Co N3 O P3 Si -","- C138 H142 B2 Co2 N6 O2 P6 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100717","12.942","0.001","20.8485","0.0015","21.5457","0.0016","77.529","0.001","82.143","0.001","88.626","0.001","5622.9","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoOCPh3","","","- C70 H62 B Co O P3 -","- C70 H62 B Co O P3 -","- C280 H248 B4 Co4 O4 P12 -","4","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100718","10.3161","0.0004","14.4678","0.0006","29.963","0.0013","90","","90","","90","","4472","0.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PhBPiPr3]CoSSiPh3","","","- C45 H68 B Co P3 S Si -","- C45 H68 B Co P3 S Si -","- C180 H272 B4 Co4 P12 S4 Si4 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100719","13.592","0.002","14.814","0.002","19.251","0.003","72.567","0.003","87.945","0.003","82.565","0.002","3667","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","{[PhBP3]CoOSiPh3}{BPh4}","","","- C88.5 H79 B2 Cl1.5 Co O P3 Si -","- C88.5 H79 B2 Cl3 Co O P3 Si -","- C177 H158 B4 Cl6 Co2 O2 P6 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100720","23.0774","0.0018","13.6982","0.001","7.9439","0.0006","90","","90","","90","","2511.2","0.3","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","(Tp*)CoS(2,6-Me2-Ph)","","","- C23 H31 B Co N6 S -","- C23 H31 B Co N6 S -","- C92 H124 B4 Co4 N24 S4 -","4","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100721","13.4295","0.0015","14.5619","0.0017","17.357","0.002","78.183","0.002","68.286","0.002","88.981","0.002","3080.3","0.6","295","","295","","","","","","","","","7","P -1","-P 1","2","BP3CoOSiPh3 295K","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100722","21.19","0.005","21.19","0.005","11.783","0.002","90","","90","","120","","4583.4","1.7","148","","148","","","","","","","","","7","P 64","P 64","172","[(R)-3,3'-dibromo-2,2'-binaphthoxy](di-t-butoxy)titanium(IV)","","","- C29.63 H28.63 Br2 Cl0.74 N0.63 O4 Ti -","- C29.63 H28.63 Br2 Cl0.37 N0.63 O4 Ti -","- C177.78 H171.78 Br12 Cl2.22 N3.78 O24 Ti6 -","6","1","","Tang, Hong-Zhi; Boyle, Paul D.; Novak, Bruce M.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0453533","","","","","","","0.051","","","0.048","","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4100723","20.576","0.004","10.621","0.002","21.728","0.004","90","","99.871","0.004","90","","4678","1","123.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H61 F3 Fe2 N6 O19 S -","- C35 H40 F3 Fe2 N6 O19 S -","- C140 H160 F12 Fe8 N24 O76 S4 -","4","0.5","","Xi Zhang","Models for Peroxo Intermediates of Non-Heme Diiron Enzymes Structural and Spectroscopic Characterization of (_-Hydroxo or_-oxo)(_-peroxo)diiron(III) Complexes having a Terminal Carboxylate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100724","14.863","0.003","21.036","0.004","21.788","0.004","90","","90.732","0.005","90","","6811","2","123.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64.5 H91 B Cl4 Fe2 N6 O13.5 -","- C64.5 H57 B Cl4 Fe2 N6 O13.5 -","- C258 H228 B4 Cl16 Fe8 N24 O54 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100725","15.92","0.004","15.912","0.004","21.288","0.005","90","","93.77","0.006","90","","5381","2","123.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H58 Fe2 N6 O14.5 -","- C35.5 H40 Fe2 N6 O14.5 -","- C142 H160 Fe8 N24 O58 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100726","10.8781","0.0002","15.8369","0.0002","33.7208","0.0003","90","","90.7775","0.0003","90","","5808.73","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H77.6 Cl N5 O10.8 -","- C54 H77.6 Cl N5 O10.8 -","- C216 H310.4 Cl4 N20 O43.2 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100727","16.0174","0.0001","10.3218","0.0001","35.6876","0.0003","90","","100.833","0.0004","90","","5795.03","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H84 Cl N5 O12 -","- C58 H84 Cl N5 O12 -","- C232 H336 Cl4 N20 O48 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100728","10.8811","0.0001","16.0952","0.0002","33.5237","0.0004","90","","90.6073","0.0004","90","","5870.79","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Br N5 O10 -","- C54 H76 Br N5 O10 -","- C216 H304 Br4 N20 O40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100729","11.0374","0.0001","21.5071","0.0003","22.7595","0.0003","90","","100.948","0.0005","90","","5304.38","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 Cl N4 O10 -","- C54 H77 Cl N4 O10 -","- C216 H308 Cl4 N16 O40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100730","18.2136","0.0013","18.2136","0.0013","18.2136","0.0013","90","","90","","90","","6042.1","0.7","233","2","233","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- H5 In7 Na5 O6 P0 S13 -","- H12 In7 Na5 O6 S13 -","- H96 In56 Na40 O48 S104 -","8","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050281g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100731","12.36","0.0008","13.2216","0.0009","28.7939","0.0019","90","","93.0864","0.0012","90","","4698.6","0.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 P2 Rh -","- C60 H56 P2 Rh -","- C240 H224 P8 Rh4 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja0502831","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100732","11.479","0.003","19.374","0.005","17.234","0.005","90","","91.107","0.005","90","","3832.1","1.7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 P4 Rh -","- C43 H47 P4 Rh -","- C172 H188 P16 Rh4 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja0502831","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100733","11.3614","0.0008","14.4508","0.0007","17.8885","0.0011","90","","90.313","0.004","90","","2936.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H52 N2 P2 Ru Si2 -","- C22 H52 N2 P2 Ru Si2 -","- C88 H208 N8 P8 Ru4 Si8 -","4","2","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050361k","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100734","9.947","0.002","12.591","0.003","7.808","0.002","90","","95.54","0.006","90","","973.3","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 B F3 N0 O2 -","- C9 H10 B F3 O2 -","- C36 H40 B4 F12 O8 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050543e","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100735","6.018","0.0018","14.64","0.004","11.003","0.003","90","","92.89","0.006","90","","968.2","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 B F3 N O3 -","- C8 H7 B F3 N O3 -","- C32 H28 B4 F12 N4 O12 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050543e","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100736","17.998","0.003","13.063","0.002","18.084","0.003","90","","90","","90","","4251.7","1.1","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl6 O3 Sb -","- C14 H19 Cl6 O3 Sb -","- C112 H152 Cl48 O24 Sb8 -","8","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050830i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100737","10.408","0.0019","12.304","0.002","18.297","0.003","90","","97.015","0.003","90","","2325.5","0.7","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 Cl6 O4 Sb -","- C14 H25 Cl6 O4 Sb -","- C56 H100 Cl24 O16 Sb4 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050830i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100738","9.8085","0.0002","30.7978","0.0007","10.1626","0.0002","90","","99.5875","0.001","90","","3027.04","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Ca N4 O Si2 -","- C24 H46 Ca N4 O Si2 -","- C96 H184 Ca4 N16 O4 Si8 -","4","1","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100739","22.1186","0.0003","17.4676","0.0003","24.4576","0.0004","90","","103.381","0.001","90","","9192.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76.4 H144.39 Ca3 N3 O10.39 Si6 -","- C75.182 H129 Ca3 N3 O10.394 Si6 -","- C300.728 H516 Ca12 N12 O41.576 Si24 -","4","1","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100740","12.221","0.0003","30.8573","0.0007","15.7275","0.0004","90","","93.785","0.001","90","","5918","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H94 Ca K N3 O7 Si6 -","- C41 H94 Ca K N3 O7 Si6 -","- C164 H376 Ca4 K4 N12 O28 Si24 -","4","1","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100741","17.422","0.003","17.076","0.002","15.536","0.002","90","","90","","90","","4622.2","1.1","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H70 Mg2 N2 O4 Si4 -","- C38 H70 Mg2 N2 O4 Si4 -","- C152 H280 Mg8 N8 O16 Si16 -","4","0.5","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100742","10.654","0.0018","14.514","0.003","16.899","0.003","64.694","0.003","88.776","0.005","89.879","0.005","2361.8","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H66 N2 O9 S Si -","- C46.5 H66 N2 O9 S Si -","- C93 H132 N4 O18 S2 Si2 -","2","1","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0510616","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100743","8.124","0.002","12.92","0.003","15.721","0.004","90","","90.069","0.004","90","","1650","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H48 O8 -","- C38 H48 O8 -","- C76 H96 O16 -","2","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051110e","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100744","9.061","0.0003","31.43","0.0014","14.416","0.0006","90","","124.561","0.003","90","","3381","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H63 Al Si3 -","- C27 H63 Al Si3 -","- C108 H252 Al4 Si12 -","4","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051814o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100745","9.078","0.0003","31.325","0.0018","14.412","0.0008","90","","124.835","0.004","90","","3363.9","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H63 Ga Si3 -","- C27 H63 Ga Si3 -","- C108 H252 Ga4 Si12 -","4","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051814o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100746","12.212","0.0005","14.966","0.0007","16.599","0.0009","85.441","0.003","84.227","0.003","83.41","0.003","2991.3","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H102 Al K N2 O6 Si3 -","- C48 H102 Al K N2 O6 Si3 -","- C96 H204 Al2 K2 N4 O12 Si6 -","2","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051814o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100849","11.1012","0.0003","8.5576","0.0001","38.4579","0.0011","90","","97.6502","0.001","90","","3620.97","0.15","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 P Si2 Ti -","- C38 H53 P Si2 Ti -","- C152 H212 P4 Si8 Ti4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100850","6.018","0.0001","12.2151","0.0004","19.3869","0.0006","90","","92.6584","0.0018","90","","1423.61","0.07","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Mo -","- C17 H22 Mo -","- C68 H88 Mo4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100851","9.7526","0.0003","11.092","0.0004","12.3529","0.0004","90","","92.3555","0.0019","90","","1335.16","0.08","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 W -","- C16 H20 W -","- C64 H80 W4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100852","9.3925","0.0003","14.7287","0.0003","16.6544","0.0004","90","","96.6871","0.0013","90","","2288.28","0.1","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Ti -","- C26 H42 Ti -","- C104 H168 Ti4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100853","14.9263","0.0002","11.1737","0.0002","14.9173","0.0002","90","","109.442","0.0008","90","","2346.08","0.06","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Zr -","- C26 H40 Zr -","- C104 H160 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100854","11.563","0.003","5.5036","0.0013","23.814","0.006","90","","94.874","0.004","90","","1510","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N2 -","- C38 H50 N2 -","- C76 H100 N4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100855","17.6093","0.0018","6.419","0.0006","22.173","0.002","90","","100.713","0.002","90","","2462.6","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C120 H104 N24 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100856","7.1861","0.0008","10.2628","0.0012","15.5477","0.0017","90","","90","","90","","1146.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C48 H60 N12 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100857","9.5472","0.0009","10.0099","0.001","10.6006","0.001","89.779","0.002","74.853","0.002","64.089","0.002","872.44","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C44 H38 N6 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100858","9.8358","0.0007","18.6733","0.0013","10.182","0.0007","90","","117.307","0.001","90","","1661.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 -","- C21 H17 N3 -","- C84 H68 N12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100859","18.363","0.004","19.578","0.004","19.987","0.004","90","","113.78","0.03","90","","6575","2","301","2","301","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H71 Cl N7 O7 Ru S -","- C65 H60 Cl N7 O7 Ru S -","- C260 H240 Cl4 N28 O28 Ru4 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100860","22.716","0.009","12.743","0.009","39.7","0.015","90","","92.475","0.014","90","","11482","10","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27.38 H33.5 Cl2.5 F36 N3 O12 P6 Rh2 -","- C27.13 H33 Cl2.25 F36 N3 O12 P6 Rh2 -","- C217.04 H264 Cl18 F288 N24 O96 P48 Rh16 -","8","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100861","13.0479","0.0011","17.4813","0.0014","25.268","0.002","90","","100.247","0.002","90","","5671.6","0.8","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Cl2 F36 N3 O12 P6 Rh2 -","- C26 H32 Cl2 F34.5 N3 O12 P6 Rh2 -","- C104 H128 Cl8 F138 N12 O48 P24 Rh8 -","4","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100862","22.496","0.004","13.547","0.002","21.382","0.004","90","","91.91","0.004","90","","6513","2","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H38 Cl2 F36 N4 O12 P6 Rh2 -","- C31 H41 Cl2 F36 N5 O12 P6 Rh2 -","- C124 H164 Cl8 F144 N20 O48 P24 Rh8 -","4","0.5","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100863","11.5832","0.001","12.502","0.0011","21.6206","0.0019","98.106","0.002","93.609","0.002","109.725","0.002","2897.2","0.4","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H35 Cl2 F36 N3 O12 P6 Rh2 -","- C27 H35 Cl2 F36 N3 O12 P6 Rh2 -","- C54 H70 Cl4 F72 N6 O24 P12 Rh4 -","2","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100864","23.8123","0.0008","23.8123","0.0008","20.0571","0.0013","90","","90","","90","","11372.9","0.9","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C27 H30 Cl2 F36 O12 P6 Rh2 -","- C27 H30 Cl2 F36 O12 P6 Rh2 -","- C216 H240 Cl16 F288 O96 P48 Rh16 -","8","0.5","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100865","26.8372","0.0018","27.313","0.003","38.801","0.003","90","","90","","90","","28441","4","100","2","100","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C96 H102 Cl4 F72 Ir4 O24 P12 -","- C96 H102 Cl4 F72 Ir4 O24 P12 -","- C768 H816 Cl32 F576 Ir32 O192 P96 -","8","0.25","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100866","12.2242","0.0012","21.88","0.002","27.148","0.003","91.33","0.002","102.312","0.002","90.81","0.002","7090.9","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.25 H52 Cl2 F36 Ir2 O12 P6 -","- C46.75 H52.25 Cl2 F36 Ir2 O12 P6 -","- C187 H209 Cl8 F144 Ir8 O48 P24 -","4","2","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100867","24.408","0.002","17.8402","0.0016","15.7183","0.0014","90","","110.416","0.002","90","","6414.5","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H42 Cl2 F36 Ir2 O12 P6 -","- C39 H42 Cl2 F36 Ir2 O12 P6 -","- C156 H168 Cl8 F144 Ir8 O48 P24 -","4","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100868","16.226","0.002","19.218","0.003","24.237","0.003","110.279","0.003","94.226","0.003","104.932","0.003","6738.3","1.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H46 Cl3 F36 N O12 P6 Rh2 -","- C35 H46 Cl3 F36 N O12 P6 Rh2 -","- C140 H184 Cl12 F144 N4 O48 P24 Rh8 -","4","2","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100869","9.673","0.0013","9.1275","0.0012","29.259","0.004","90","","92.084","0.002","90","","2581.6","0.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cl2 F12 N4 P6 Rh2 -","- C8 H18 Cl2 F12 N4 P6 Rh2 -","- C32 H72 Cl8 F48 N16 P24 Rh8 -","4","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100870","13.3588","0.0016","13.3588","0.0016","31.219","0.008","90","","90","","120","","4824.8","1.4","193","2","193","2","","","","","","","","4","P 61","P 61","169","","","","- C21 H28 N6 O9 -","- C21 H28 N6 O9 -","- C126 H168 N36 O54 -","6","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100871","12.9064","0.0004","12.9064","0.0004","30.2416","0.0015","90","","90","","90","","5037.5","0.3","293","2","130","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H29 Co3 K O24 -","- C12 H8 Co3 K O24 -","- C96 H64 Co24 K8 O192 -","8","0.5","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4100872","6.147","0.0004","11.4061","0.0007","20.3654","0.0016","90","","93.172","0.009","90","","1425.7","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H17 N5 O6 -","- C12 H17 N5 O6 -","- C48 H68 N20 O24 -","4","2","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100873","16.497","0.003","17.251","0.004","17.531","0.004","100.58","0.03","114.69","0.03","100.46","0.03","4265.5","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H74 Cl4 Fe N2 Na O10.5 -","- C105 H67 Cl4 Fe N2 Na O10.5 -","- C210 H134 Cl8 Fe2 N4 Na2 O21 -","2","1","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100874","16.5031","0.0007","16.7301","0.0007","17.3222","0.0008","76.098","0.001","72.453","0.001","76.436","0.001","4358.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H71 Cl8 Fe N2 Na O10 -","- C101 H63 Fe N2 Na O10 -","- C202 H126 Fe2 N4 Na2 O20 -","2","1","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100875","12.3577","0.0002","21.2622","0.0004","19.8755","0.0003","90","","106.17","0.001","90","","5015.73","0.15","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H53 B F4 P2 Ru -","- C60 H53 B F4 P2 Ru -","- C240 H212 B4 F16 P8 Ru4 -","4","1","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100876","7.227","0.002","8.653","0.002","12.729","0.003","102.354","0.004","98.757","0.004","110.608","0.004","704.9","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","[HBPTSMe][OTf]","","","- C7 H4 F3 N3 O3 S3 Se2 -","- C7 H4 F3 N3 O3 S3 Se2 -","- C14 H8 F6 N6 O6 S6 Se4 -","2","1","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4100877","4.924","0.004","12.616","0.011","15.086","0.013","90","","94.563","0.014","90","","934.1","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[HBPTSMe]","","","- C12 H8 N6 S4 Se4 -","- C12 H8 N6 S4 Se4 -","- C24 H16 N12 S8 Se8 -","2","0.5","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100878","10.458","","14.4168","","23.8824","","90","","97.264","","90","","3571.9","0.2","28","1","28","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 Cr2 K N2 O16 -","- C28 H37 Cr2 K N2 O16 -","- C112 H148 Cr8 K4 N8 O64 -","4","1","","Piero Macchi; Daniela Donghi; Angelo Sironi","The electron density of bridging hydrides observed via experimental and theoretical investigations on [Cr2(m-H)(CO)10]-","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100879","12.0407","0.0009","17.0916","0.0013","17.268","0.0015","90","","103.062","0.006","90","","3461.7","0.5","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu2 O10 S2 -","- C32 H32 Cu2 O10 S2 -","- C128 H128 Cu8 O40 S8 -","4","1","","Reyes-Ortega, Yasmi; Alcántara-Flores, José L.; Hernández-Galindo, María C.; Ramírez-Rosales, Daniel; Bernès, Sylvain; Ramírez-García, Juán C.; Zamorano-Ulloa, Rafael; Escudero, Roberto","Magnetic Properties and Crystal Structure of a One-dimensional Phase of Tetrakis(μ~2~-benzoato-O,O'-bis(dimethylsulfoxide)-di-copper(II)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100880","14.743","0.005","10.9","0.004","19.025","0.007","90","","90.526","0.006","90","","3057.2","1.8","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H41 F6 Fe2 O2 P5 S2 -","- C16 H41 F6 Fe2 O2 P5 S2 -","- C64 H164 F24 Fe8 O8 P20 S8 -","4","1","","van der Vlugt, Jarl Ivar; Rauchfuss, Thomas B.; Wilson, Scott R.","g21ca","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100881","10.839","0.005","18.496","0.008","14.483","0.006","90","","110.333","0.006","90","","2723","2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 F6 Fe2 O3 P4 S2 -","- C14 H32 F6 Fe2 O3 P4 S2 -","- C56 H128 F24 Fe8 O12 P16 S8 -","4","1","","van der Vlugt, Jarl Ivar; Rauchfuss, Thomas B.; Wilson, Scott R.","g27ca","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100882","33.1943","0.0011","17.1237","0.0006","25.3979","0.0009","90","","109.218","0.002","90","","13631.9","0.8","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H91 F12 Fe4 N3 O4 P10 S4 -","- C38 H91 F12 Fe4 N3 O4 P10 S4 -","- C304 H728 F96 Fe32 N24 O32 P80 S32 -","8","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100883","11.1005","0.0011","11.1138","0.0011","12.3051","0.0013","90","","110.71","0.002","90","","1420","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cu(BNA)2(H2O)7","","","- C24 H28 Cu N4 O15 -","- C24 H22 Cu N4 O15 -","- C48 H44 Cu2 N8 O30 -","2","1","","Radu Custelcean","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100884","16.672","0.003","31.875","0.006","16.47","0.003","90","","105.04","0.003","90","","8453","3","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H99.5 F9 N1.5 O20 Ru3 S3 -","- C67.37 H83.5 F7.9 N1.5 O18.1 Ru3 S2.94 -","- C269.48 H334 F31.6 N6 O72.4 Ru12 S11.76 -","4","1","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.1032","0.0778","","","0.2145","0.2286","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100885","16.672","0.003","31.875","0.006","16.47","0.003","90","","105.04","0.003","90","","8453","3","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C0.69 H0.38 F0.07 N0.03 O0.12 Ru0.02 S0.02 -","- C0.448258 H0.545455 F0.0113636 O0.0568182 Ru0.0227273 S0.00333333 -","- C236.68 H288 F6 O30 Ru12 S1.76 -","528","132","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.0676","0.0546","","","0.1545","0.1611","","","","","","1.081","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100886","19.3059","0.0019","19.3059","0.0019","47.475","0.009","90","","90","","120","","15324","4","188","2","188","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 -","- C118.02 H144 F29.06 N12 O18.12 Ru6 Sb5 -","- C354.06 H432 F87.18 N36 O54.36 Ru18 Sb15 -","3","0.166667","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.1187","0.0834","","","0.2623","0.2869","","","","","","1.16","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100887","19.3059","0.0019","19.3059","0.0019","47.475","0.009","90","","90","","120","","15324","4","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 -","- C117 H144 F5.96 O12 Ru6 Sb -","- C351 H432 F17.88 O36 Ru18 Sb3 -","3","0.166667","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.0665","0.0533","","","0.1481","0.1542","","","","","","0.951","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100888","16.2016","0.0017","8.6614","0.0009","17.9532","0.0019","90","","98.067","0.002","90","","2494.4","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl F3 N2 O3 Ru S -","- C22 H30 Cl F3 N2 O3 Ru S -","- C88 H120 Cl4 F12 N8 O12 Ru4 S4 -","4","1","","Arduengo, 3rd, Anthony J.; Tapu, Daniela; Marshall, William J.","A bimetallic complex containing a cyclopentadienyl-annulated imidazol-2-ylidene.","Journal of the American Chemical Society","2005","127","47","16400","16401","10.1021/ja055565f","","","0.71073","MoKα","","0.0301","0.0251","","","0.0633","0.0661","","","","","","1.045","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100889","23.064","0.002","10.408","0.001","24.166","0.002","90","","104.88","0.002","90","","5606.5","0.9","293","2","293","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl F3 N2 O3 P2 Pd Ru S -","- C58 H60 Cl F3 N2 O3 P2 Pd Ru S -","- C232 H240 Cl4 F12 N8 O12 P8 Pd4 Ru4 S4 -","4","1","","Arduengo, 3rd, Anthony J.; Tapu, Daniela; Marshall, William J.","A bimetallic complex containing a cyclopentadienyl-annulated imidazol-2-ylidene.","Journal of the American Chemical Society","2005","127","47","16400","16401","10.1021/ja055565f","","","0.71073","MoKα","","0.0935","0.0439","","","0.0949","0.1187","","","","","","1.014","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100890","23.062","0.0007","18.3784","0.0005","21.6713","0.0007","90","","105.925","0.002","90","","8832.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(dibenzoylmethanato)(1,1'-bi-2-naphtholato)tin(IV) dichloromethane solvate","","","- C51.75 H37.5 Cl3.5 O6 Sn -","- C50 H34 O6 Sn -","- C400 H272 O48 Sn8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100891","22.1216","0.0004","17.2637","0.0003","22.7113","0.0004","90","","108.677","0.001","90","","8216.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(dibenzoylmethanato)(1,1'-bi-2-naphtholato)titanium(IV) dichloromethane solvate","","","- C50.75 H35.5 Cl1.5 O6 Ti -","- C50 H34 O6 Ti -","- C400 H272 O48 Ti8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100892","32.808","0.003","10.4974","0.0014","25.079","0.004","90","","107.693","0.008","90","","8228.6","1.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(2,2,6,6-tetramethylheptane-3,5-dionato)(1,1'-bi-2-naphtholato)titanium(IV) hemihexane solvate","","","- C45 H57 O6 Ti -","- C45 H57 O6 Ti -","- C360 H456 O48 Ti8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100893","16.8079","0.0012","16.8079","0.0012","11.5301","0.0017","90","","90","","120","","2820.9","0.5","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C24 H60 B12 O12 -","- C24 H60 B12 O12 -","- C72 H180 B36 O36 -","3","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100894","27.473","0.003","27.473","0.003","9.143","0.002","90","","90","","120","","5976.2","1.8","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H72 B12 F12 O12 -","- C84 H72 B12 F12 O12 -","- C252 H216 B36 F36 O36 -","3","0.166667","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100895","12.965","0.003","13.363","0.003","14.245","0.004","111.352","0.004","104.803","0.004","106.682","0.004","2014.7","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 F12 O12 -","- C84 H72 B12 F12 O12 -","- C84 H72 B12 F12 O12 -","1","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100896","13.0473","0.0014","14.0975","0.0015","14.3672","0.0016","113.052","0.002","101.158","0.002","106.955","0.002","2179.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 Cl12 O12 -","- C84 H72 B12 Cl12 O12 -","- C84 H72 B12 Cl12 O12 -","1","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100897","13.2527","0.0008","14.2625","0.0009","14.6453","0.0009","113.903","0.001","101.217","0.001","106.374","0.001","2272.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 Br12 O12 -","- C84 H72 B12 Br12 O12 -","- C84 H72 B12 Br12 O12 -","1","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100898","13.8938","0.001","14.1981","0.001","14.5566","0.0011","104.635","0.001","112.703","0.001","109.693","0.001","2238.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 Br12 O12 -","- C84 H72 B12 Br12 O12 -","- C84 H72 B12 Br12 O12 -","1","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100899","12.215","0.011","10.101","0.007","15.761","0.018","90","","104.25","0.04","90","","1885","3","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N4 -","- C46 H44 N4 -","- C92 H88 N8 -","2","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of DM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100900","22.864","0.0011","20.6713","0.001","9.9936","0.0005","90","","90","","90","","4723.3","0.4","93.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C58 H58 Cl2 N4 -","- C58 H58 Cl2 N4 -","- C232 H232 Cl8 N16 -","4","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of RDM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100901","23.641","0.012","7.22","0.003","41.687","0.019","90","","91.97","0.03","90","","7111","6","93.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 N4 -","- C46 H46 N4 -","- C368 H368 N32 -","8","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HDM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100902","8.0043","0.0016","9.5872","0.0018","14.335","0.003","72.281","0.012","74.376","0.013","66.928","0.012","949.8","0.3","93.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H36 N4 -","- C54 H36 N4 -","- C54 H36 N4 -","1","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of AM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100903","10.093","0.008","11.144","0.011","14.14","0.02","112.39","0.04","107.69","0.04","94.44","0.07","1367","3","243.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H55 Cl3 N4 -","- C72 H52 Cl3 N4 -","- C72 H52 Cl3 N4 -","1","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of AM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100904","11.562","0.012","13.764","0.013","15.698","0.014","81.07","0.03","71.43","0.03","74.45","0.03","2275","4","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H43 Cl N4 -","- C60 H43 Cl N4 -","- C120 H86 Cl2 N8 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100905","11.117","0.004","11.994","0.004","16.478","0.006","105.004","0.009","105.838","0.009","103.723","0.009","1926.4","1.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H62 N P2 Si2 Ti -","- C34 H62 N P2 Si2 Ti -","- C68 H124 N2 P4 Si4 Ti2 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100906","14.3901","0.0016","11.8551","0.0012","24.779","0.003","90","","94.75","0.003","90","","4212.6","0.8","126","2","126","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H62 F3 N O3 P2 S Si Ti -","- C36.56 H50 F3 N O3 P2 S Si Ti -","- C146.24 H200 F12 N4 O12 P8 S4 Si4 Ti4 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100907","11.6879","0.0015","15.034","0.0019","11.9212","0.0015","90","","94.886","0.003","90","","2087.1","0.5","124","2","124","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C40 H70 N O P2 Ti -","- C40 H70 N O P2 Ti -","- C80 H140 N2 O2 P4 Ti2 -","2","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100908","11.7766","0.0019","14.767","0.002","20.442","0.003","90","","95.003","0.005","90","","3541.3","0.9","126","2","126","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 N P2 Ti -","- C37 H55 N P2 Ti -","- C148 H220 N4 P8 Ti4 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100909","9.2775","0.0007","10.3554","0.0008","13.6763","0.0008","85.718","0.004","73.325","0.004","83.745","0.004","1249.87","0.15","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C60 H56 N4 O8 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100910","6.7922","0.0019","11.267","0.003","21.832","0.006","90","","90","","90","","1670.8","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl N2 O4 -","- C19 H15 Cl N2 O4 -","- C76 H60 Cl4 N8 O16 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100911","12.3651","0.0013","18.94","0.002","27.123","0.003","90","","90","","90","","6352","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-Aib-betaPhe-Leu-Phe-Val-OMe","","","- C60 H88 N8 O11 -","- C60 H88 N8 O11 -","- C240 H352 N32 O44 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100912","13.7261","0.0018","15.372","0.002","17.492","0.002","90","","101.285","0.003","90","","3619.3","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Aib-Gpn-Aib-Gpn-OMe","","","- C32 H56 N4 O7 -","- C32 H56 N4 O7 -","- C128 H224 N16 O28 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100913","8.4098","0.0013","9.8271","0.0015","14.997","0.002","101.406","0.003","90.749","0.003","114.735","0.003","1097.1","0.3","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C8 H9 Cl3 N O -","- C9 Cl3 N O -","- C36 Cl12 N4 O4 -","4","4","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100914","12.044","0.003","6.1019","0.0013","22.074","0.005","90","","97.882","0.006","90","","1607","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl2 N O2 -","- C16 H18 Cl2 N O4 -","- C64 H72 Cl8 N4 O16 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100915","16.6116","0.0008","17.7273","0.0009","20.1493","0.001","109.671","0.001","100.258","0.001","104.903","0.001","5165.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C119 H146 N16 O3 Si3 -","- C119 H146 N16 O3 Si3 -","- C238 H292 N32 O6 Si6 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100916","16.697","0.004","11.156","0.002","17.32","0.004","90","","107.592","0.004","90","","3075","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H59 B Ni P2 -","- C30 H59 B Ni P2 -","- C120 H236 B4 Ni4 P8 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100917","9.704","0.002","15.282","0.004","15.492","0.004","102.588","0.005","96.823","0.005","90.702","0.005","2224.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H87 B Ni2 P4 -","- C36 H87 B Ni2 P4 -","- C72 H174 B2 Ni4 P8 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100918","12.248","0.003","20.021","0.005","21.114","0.005","90","","93.695","0.005","90","","5167","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H74 Cl2 Cu2 P6 -","- C49 H74 Cl2 Cu2 P6 -","- C196 H296 Cl8 Cu8 P24 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100919","11.3063","0.0011","17.3023","0.0016","19.9594","0.0019","82.727","0.002","81.199","0.002","79","0.002","3768.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H50.5 B0.5 Cu N1.5 P3 -","- C39 H50.5 B0.5 Cu N1.5 P3 -","- C156 H202 B2 Cu4 N6 P12 -","4","2","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100920","11.8917","0.0016","12.1007","0.0017","42.69","0.006","90","","91.634","0.003","90","","6140.5","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H74 Cl2 Cu2 F12 P6 Sb2 -","- C39.1096 H59.0192 Cl1.4192 Cu1.6 F9.6 P4.8 Sb1.6 -","- C195.548 H295.096 Cl7.096 Cu8 F48 P24 Sb8 -","5","1.25","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100921","10.9458","0.0004","10.9458","0.0004","10.9458","0.0004","90","","90","","90","","1311.42","0.08","25","2","25","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100922","10.9474","0.0004","10.9474","0.0004","10.9474","0.0004","90","","90","","90","","1312","0.08","50","2","50","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100923","10.9461","0.0001","10.9461","0.0001","10.9461","0.0001","90","","90","","90","","1311.53","0.02","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100924","10.9421","0.0001","10.9421","0.0001","10.9421","0.0001","90","","90","","90","","1310.09","0.02","150","2","150","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100925","10.938","0.0002","10.938","0.0002","10.938","0.0002","90","","90","","90","","1308.62","0.04","225","2","225","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100926","10.929","0.0002","10.929","0.0002","10.929","0.0002","90","","90","","90","","1305.39","0.04","300","2","300","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100927","10.9228","0.0002","10.9228","0.0002","10.9228","0.0002","90","","90","","90","","1303.17","0.04","375","2","375","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100928","10.9516","0.0001","10.9516","0.0001","10.9516","0.0001","90","","90","","90","","1313.51","0.02","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate dihydrate","","","- C6 H4 Cd N6 O2 Pt -","- C6 Cd N6 O2 Pt -","- C24 Cd4 N24 O8 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100929","10.5234","0.0003","10.5234","0.0003","10.5234","0.0003","90","","90","","90","","1165.38","0.06","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100930","10.522","0.0003","10.522","0.0003","10.522","0.0003","90","","90","","90","","1164.92","0.06","150","2","150","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100931","10.5241","0.0005","10.5241","0.0005","10.5241","0.0005","90","","90","","90","","1165.61","0.1","225","2","225","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100932","10.5186","0.0007","10.5186","0.0007","10.5186","0.0007","90","","90","","90","","1163.79","0.13","300","2","300","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100933","10.5104","0.0006","10.5104","0.0006","10.5104","0.0006","90","","90","","90","","1161.07","0.11","375","2","375","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100934","10.5467","0.0004","10.5467","0.0004","10.5467","0.0004","90","","90","","90","","1173.14","0.08","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate dihydrate","","","- C6 H4 N6 O2 Pt Zn -","- C6 N6 O2 Pt Zn -","- C24 N24 O8 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100935","24.876","0.006","7.3861","0.0018","3.7573","0.0009","90","","96.848","0.003","90","","685.4","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","1,3-Bis(m-nitrophenyl)urea","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C26 H24 N8 O12 -","2","0.5","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100936","26.969","0.005","26.417","0.005","24.926","0.005","90","","117.095","0.005","90","","15809","5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C224 H208 Au16 F48 N8 P24 S16 -","- C224 H208 Au16 F48 N8 P24 S16 -","- C448 H416 Au32 F96 N16 P48 S32 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100937","20.051","0.013","18.123","0.011","20.631","0.011","90","","92.453","0.019","90","","7490","8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H75 B F21 N3 Ti -","- C77 H75 B F21 N3 Ti -","- C308 H300 B4 F84 N12 Ti4 -","4","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100938","13.314","0.003","18.463","0.004","19.131","0.004","94.549","0.006","96.44","0.006","106.337","0.006","4453.9","1.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H103 B F21 N4 Ti -","- C98 H96 B F21 N4 Ti -","- C196 H192 B2 F42 N8 Ti2 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100939","12.8349","0.0008","16.5869","0.0009","18.4167","0.001","93.494","0.002","101.466","0.002","97.616","0.002","3793.2","0.4","126","2","126","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H80 B F20 N3 Ti -","- C85 H80 B F20 N3 Ti -","- C170 H160 B2 F40 N6 Ti2 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100940","9.5827","0.0007","11.8653","0.0008","12.0329","0.0007","65.548","0.002","67.047","0.002","89.489","0.002","1127.7","0.13","126","2","126","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N2 O -","- C30 H26 N2 O -","- C60 H52 N4 O2 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100941","5.5199","0.0009","5.6912","0.001","13.456","0.002","83.015","0.003","85.442","0.003","79.488","0.003","411.82","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cu3 Mo2 N2 O10 -","- C10 H10 Cu3 Mo2 N2 O10 -","- C10 H10 Cu3 Mo2 N2 O10 -","1","0.5","","Shores, M. P.; Bartlett, B. M.; Nocera, D. G.","Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite","Journal of the American Chemical Society","2005","127","51","17986","17987","10.1021/ja056666g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133685","2020-10-21","18:00:00",""
"4100942","5.6757","0.0015","5.7121","0.0015","9.447","0.002","95.284","0.005","91.557","0.005","100.248","0.005","299.82","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 Cu3 Mo2 N2 O10 -","- C4 H12 Cu3 Mo2 N2 O10 -","- C4 H12 Cu3 Mo2 N2 O10 -","1","0.5","","Shores, M. P.; Bartlett, B. M.; Nocera, D. G.","Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite","Journal of the American Chemical Society","2005","127","51","17986","17987","10.1021/ja056666g","","","","","","","","","","","","","","","","","","","","","has coordinates","133685","2020-10-21","18:00:00",""
"4100943","12.434","0.002","16.122","0.003","12.667","0.002","90","","104.923","0.004","90","","2453.6","0.8","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","inv-CB6","","","- C36 H56.4 Cl N24 O21.7 -","- C36 H56.428 Cl N24 O21.714 -","- C72 H112.856 Cl2 N48 O43.428 -","2","1","","Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon","The Inverted Cucurbit[n]uril Family","Journal of the American Chemical Society","2005","127","51","18000","18001","10.1021/ja056988k","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4100944","32.2","0.005","32.2","0.005","32.581","0.007","90","","90","","120","","29255","8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","inverted cucurbit[7]uril tetrahydrofuran-clathrate tetradecahydrate","","","- C46 H78 N28 O29 -","- C46 H42 N28 O29.003 -","- C828 H756 N504 O522.054 -","18","1","","Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon","The Inverted Cucurbit[n]uril Family","Journal of the American Chemical Society","2005","127","51","18000","18001","10.1021/ja056988k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4100945","6.2717","0.0011","9.5873","0.0017","16.319","0.003","95.316","0.002","97.598","0.002","96.233","0.002","961.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Cl4 N2 O6 S2 -","- C38 H36 Cl4 N2 O6 S2 -","- C38 H36 Cl4 N2 O6 S2 -","1","0.5","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100946","10.5502","0.0009","11.3979","0.0009","14.2293","0.0012","96.935","0.001","92.995","0.001","107.64","0.001","1611.5","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H39 B Fe N2 O5 Si -","- C27 H39 B Fe N2 O5 Si -","- C54 H78 B2 Fe2 N4 O10 Si2 -","2","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100947","6.76","0.004","16.787","0.011","32.061","0.016","90","","90","","90","","3638","4","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 B Fe N O3.5 Si -","- C14 H26 B Fe N O3.5 Si -","- C112 H208 B8 Fe8 N8 O28 Si8 -","8","2","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100948","10.4994","0.0011","24.85","0.003","12.3176","0.0014","90","","92.295","0.002","90","","3211.2","0.6","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B Fe N2 O4 S Si -","- C28 H41 B Fe N2 O4 S Si -","- C112 H164 B4 Fe4 N8 O16 S4 Si4 -","4","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100949","23.5846","0.0012","25.3051","0.0013","23.6723","0.0012","90","","96.364","0.001","90","","14040.8","1.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74.5 H75 Cl2 Cu2 N6 O10.5 P2 -","- C74.5 H75 Cl2 Cu2 N6 O10.5 P2 -","- C596 H600 Cl16 Cu16 N48 O84 P16 -","8","2","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100950","11.4793","0.0009","13.6708","0.0012","15.3099","0.0014","77.122","0.007","73.566","0.007","73.434","0.007","2182.2","0.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H41 Cl2 Cu2 N9 O9 -","- C39 H41 Cl2 Cu2 N9 O9 -","- C78 H82 Cl4 Cu4 N18 O18 -","2","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100951","23.398","0.011","9.934","0.004","24.876","0.011","90","0.0017","105.331","0.0019","90","0.0017","5576","4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H84 Si16 -","- C28 H84 Si16 -","- C112 H336 Si64 -","4","0.5","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100952","24.031","0.015","13.01","0.008","17.598","0.011","90","","90","","90","","5502","6","150","2","150","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C28 H84 Cl2 Si16 -","- C28 H84 Cl2 Si16 -","- C112 H336 Cl8 Si64 -","4","","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100953","20.777","0.003","24.988","0.003","26.533","0.003","78.248","0.004","71.263","0.004","79.124","0.004","12658","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H92 O2 Si16 -","- C42 H90.5 O2 Si16 -","- C336 H724 O16 Si128 -","8","4","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100954","24.511","0.005","9.8728","0.0019","23.55","0.005","90","","100.626","0.001","90","","5601.3","1.9","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H86 O Si16 -","- C28 H85 O Si16 -","- C112 H340 O4 Si64 -","4","0.5","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100955","12.986","0.005","14.978","0.006","23.15","0.01","90","","93.82","0.02","90","","4493","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl Mn3 N8 O14 -","- C30 H30 Cl7 Mn3 N6 O14 -","- C120 H120 Cl28 Mn12 N24 O56 -","4","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100956","8.298","0.002","14.819","0.004","8.293","0.002","90","","110.067","0.004","90","","957.8","0.4","118","","118","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F3 N O4 S -","- C8 H4 F3 N O4 S -","- C32 H16 F12 N4 O16 S4 -","4","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100957","11.4597","0.0016","11.4597","0.0016","12.611","0.003","90","","90","","120","","1434.3","0.4","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C60 H66 Cl3 N3 O6 -","3","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100958","17.552","0.004","8.9917","0.0018","15.525","0.003","90","","120.61","0.03","90","","2108.7","0.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H25 Cl N O -","- C23 H25 Cl N O -","- C92 H100 Cl4 N4 O4 -","4","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100959","13.491","0.003","13.557","0.003","15.658","0.003","90","","113.64","0.03","90","","2623.6","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C63 H64 Cl2 Ir N O2 P2 -","- C63 H64 Cl2 Ir N O2 P2 -","- C126 H128 Cl4 Ir2 N2 O4 P4 -","2","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100960","9.654","0.009","8.269","0.005","15.48","0.01","90","","95.24","0.03","90","","1230","1","97.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H28 O4 -","- C31 H28 O4 -","- C62 H56 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100961","15.5782","0.0016","13.5247","0.0011","13.0531","0.0009","116.249","0.003","79.374","0.006","95.966","0.004","2423.5","0.4","253","2","253","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H36 F9 N2 O5 P2 Re S -","- C51 H36 F9 N2 O5 P2 Re S -","- C102 H72 F18 N4 O10 P4 Re2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100962","11.752","0.002","14.508","0.003","15.376","0.003","95.28","0.02","112.434","0.01","104.879","0.016","2288.4","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H70 Cl6 P2 Ru S -","- C39 H70 Cl6 P2 Ru S -","- C78 H140 Cl12 P4 Ru2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100963","15.6084","0.0001","14.6474","0.0001","16.0669","0.0001","90","","100.084","0.003","90","","3616.51","0.04","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H53 Br Ir N P2 -","- C39 H53 Br Ir N P2 -","- C156 H212 Br4 Ir4 N4 P8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100964","20.5018","0.001","7.197","0.0003","22.9054","0.0011","90","","112.826","0.002","90","","3115","0.2","90","0.2","90","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Cl Ir N P2 -","- C32 H44 Cl Ir N P2 -","- C128 H176 Cl4 Ir4 N4 P8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100965","14.1133","0.001","24.338","0.002","13.773","0.0006","90","","118.09","0.004","90","","4173.6","0.5","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 N4 O4 -","- C47 H56 N4 O4 -","- C188 H224 N16 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100966","25.5931","0.0012","10.2487","0.0005","27.0553","0.0013","90","","91.349","0.002","90","","7094.5","0.6","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H28 Cl Co N6 O7 -","- C36 H27 Co N6 O7 -","- C288 H216 Co8 N48 O56 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100967","12.7158","0.0007","20.4866","0.0011","13.567","0.0007","90","","104.497","0.002","90","","3421.7","0.3","130","2","130","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C23 H52 F3 N3 O3 P2 Ru S Si2 -","- C23 H52 F3 N3 O3 P2 Ru S Si2 -","- C92 H208 F12 N12 O12 P8 Ru4 S4 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100968","42.83","0.02","9.935","0.005","20.393","0.012","90","","99.994","0.01","90","","8546","8","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H66 N3 O2.5 Si Y -","- C44 H66 N3 O2.5 Si Y -","- C352 H528 N24 O20 Si8 Y8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100969","8.8524","0.0013","11.2198","0.0017","17.538","0.003","90","","100.444","0.003","90","","1713","0.4","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl N2 -","- C17 H23 Cl N2 -","- C68 H92 Cl4 N8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100970","17.097","0.002","9.395","0.0013","18.607","0.003","90","","90","","90","","2988.9","0.7","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Cl N2 -","- C15 H19 Cl N2 -","- C120 H152 Cl8 N16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100971","10.222","0.003","12.534","0.004","22.541","0.007","90","","93.281","0.011","90","","2883.2","1.5","200","2","200","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[bmim]OTf","","","- C9 H15 F3 N2 O3 S -","- C9 H15 F3 N2 O3 S -","- C72 H120 F24 N16 O24 S8 -","8","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100972","8.774","0.005","8.944","0.01","9.032","0.006","95.949","0.016","114.93","0.013","103.01","0.03","610.2","0.8","183","2","183","2","","","","","","","","5","P -1","-P 1","2","[bmim]PF6","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100973","8.3947","0.0011","13.0106","0.0016","16.582","0.002","90","","90","","90","","1811.1","0.4","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 F6 N2 O4 S2 -","- C11 H20 F6 N2 O4 S2 -","- C44 H80 F24 N8 O16 S8 -","4","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100974","8.7618","0.0001","9.3961","0.0001","11.4246","0.0002","90","","98.72","0.001","90","","929.68","0.02","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[emim]BF4","","","- C6 H11 B F4 N2 -","- C6 H11 B F4 N2 -","- C24 H44 B4 F16 N8 -","4","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100975","8.7916","0.0016","12.911","0.002","18.341","0.003","71.969","0.003","83.335","0.002","88.815","0.002","1966","0.6","125","2","125","0.2","","","","","","","","6","P -1","-P 1","2","[nhexpy]NTF2","","","- C13 H18 F6 N2 O4 S2 -","- C13 H18 F6 N2 O4 S2 -","- C52 H72 F24 N8 O16 S8 -","4","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100976","19.476","0.004","20.192","0.004","18.567","0.004","90","","90","","90","","7302","3","233","2","233","2","","","","","","","","5","P n n m","-P 2 2n","58","CB10 @ bis-diammonium tetraidodide hydrate","","","- C94 H167.87 I4 N54 O54.94 -","- C94 H102 I4 N54 O54.9 -","- C188 H204 I8 N108 O109.8 -","2","0.25","","Liu, Simin; Zavalij, Peter Y.; Isaacs, Lyle","Cucurbit[10]uril.","Journal of the American Chemical Society","2005","127","48","16798","16799","10.1021/ja056287n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100977","9.0317","0.0018","11.364","0.002","11.424","0.002","60.35","0.004","85.599","0.004","84.724","0.004","1014","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of Aspirin and Carbamazepine","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C48 H40 N4 O10 -","2","1","","Jennifer A. McMahon; Peddy Vishweshwar; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100978","12.095","0.007","6.491","0.004","11.323","0.006","90","","111.509","0.009","90","","827.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form-II of Aspirin","","","- C9 H8 N0 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100979","19.3272","0.0007","11.686","0.0005","16.089","0.0006","90","","92.63","0.001","90","","3630","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Br2 N2 O4 -","- C44 H40 Br2 N2 O4 -","- C176 H160 Br8 N8 O16 -","4","1","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100980","6.5925","0.0001","10.6552","0.0001","21.296","0.0002","90","","90","","90","","1495.93","0.03","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","4-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-morpholin-4-ium; tetrafluoro borate","","","- C10 H17 B F4 N4 O3 -","- C10 H17 B F4.01 N4 O3 -","- C40 H68 B4 F16.04 N16 O12 -","4","0.5","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100981","10.258","0.002","9.2156","0.0018","14.158","0.005","90","","125.93","0.02","90","","1083.8","0.5","295","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Dimethoxy-6-morpholin-4-yl-[1,3,5]triazine","","","- C9 H14 N4 O3 -","- C9 H14 N4 O3 -","- C36 H56 N16 O12 -","4","1","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100982","6.7509","0.0004","14.9157","0.0008","26.1982","0.0013","90","","92.038","0.002","90","","2636.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O10 P2 W2 -","- C22 H16 O10 P2 W2 -","- C88 H64 O40 P8 W8 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100983","9.0413","0.0001","21.6707","0.0003","17.8474","0.0003","90","","111.977","0.0005","90","","3242.75","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Mo2 O10 P2 -","- C32 H20 Mo2 O10 P2 -","- C128 H80 Mo8 O40 P8 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100984","8.0153","0.0003","10.6946","0.0004","22.3651","0.0005","88.441","0.002","83.323","0.002","79.194","0.001","1870.34","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H20 O10 P2 W2 -","- C38 H20 O10 P2 W2 -","- C76 H40 O20 P4 W4 -","2","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100985","10.4762","0.0001","11.3603","0.0001","14.8964","0.0001","103.56","0.0004","99.8561","0.0005","103.982","0.0004","1622.87","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H18 O10 P2 W2 -","- C32 H18 O10 P2 W2 -","- C64 H36 O20 P4 W4 -","2","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100986","9.2748","0.0004","12.066","0.0006","15.2717","0.0006","90.529","0.002","98.06","0.001","104.808","0.002","1634.16","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Mo2 O10 P2 -","- C32 H16 Mo2 O10 P2 -","- C64 H32 Mo4 O20 P4 -","2","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100987","9.2488","0.0001","10.0296","0.0001","10.8435","0.0002","110.043","0.0009","95.2573","0.001","105.2","0.0008","893.42","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Mn O2 P -","- C21 H16 Mn O2 P -","- C42 H32 Mn2 O4 P2 -","2","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100988","14.244","0.007","19.825","0.01","19.945","0.01","90","","90","","90","","5632","5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C248 H260 Cl8 Fe8 N8 Ni4 O32 P12 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100989","14.8165","0.0012","19.7066","0.0015","19.9451","0.0015","90","","90","","90","","5823.6","0.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C64 H69 Cl2 Fe2 N2 Ni O8 P3 -","- C64 H64 Cl2 Fe2 N2 Ni O8 P3 -","- C256 H256 Cl8 Fe8 N8 Ni4 O32 P12 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100990","8.9815","0.0006","15.1441","0.0011","19.2553","0.0014","90","","90","","90","","2619","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 Cl N2 P Pd -","- C26 H40 Cl N2 P Pd -","- C104 H160 Cl4 N8 P4 Pd4 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100991","11.44","0.002","16.326","0.003","41.174","0.008","90","","90","","90","","7690","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H116 Cl2 N4 P2 Pd2 -","- C88 H116 Cl2 N4 P2 Pd2 -","- C352 H464 Cl8 N16 P8 Pd8 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100992","10.433","0.002","14.876","0.003","23.811","0.004","90","","90","","90","","3695.6","1.2","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Rh -","- C20 H31 Rh -","- C160 H248 Rh8 -","8","1","","Thomas Cadenbach; Christian Gemel; Rochus Schmid; Roland Fischer","Mechanistic Insights into an Unprecedented C-C Bond...","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100993","9.086","0.002","18.853","0.005","28.918","0.011","90","","94.18","0.03","90","","4940","3","101","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Ga Rh -","- C27 H38 Ga Rh -","- C216 H304 Ga8 Rh8 -","8","2","","Thomas Cadenbach; Christian Gemel; Rochus Schmid; Roland Fischer","Mechanistic Insights into an Unprecedented C-C Bond...","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100995","5.94","0.01","10.564","0.004","25.499","0.003","90","","90","","90","","1599","3","97.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 I O5 -","- C14 H19 I O5 -","- C56 H76 I4 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4111377","9.2297","0.0005","34.078","0.002","10.9325","0.0006","90","","109.864","0.001","90","","3234","0.3","171.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Ce F -","- C34 H58 Ce F -","- C136 H232 Ce4 F4 -","4","1","","Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen","Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies","Journal of the American Chemical Society","2005","127","","279","292","10.1021/ja0451012","","","0.7107","MoKα","","","0.0291","","","","0.0654","","","","","","1.306","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111378","9.1426","0.0006","10.4602","0.0006","17.096","0.001","94.074","0.001","105.507","0.001","103.56","0.001","1515.83","0.16","132.2","","132.2","","","","","","","","","4","P -1","-P 1","2","Cp*2ScSiH(SiMe3)2","","","- C26 H49 Sc Si3 -","- C26 H42 Sc Si3.004 -","- C52 H84 Sc2 Si6.008 -","2","1","","Aaron D. Sadow; T. Don Tilley","Synthesis and Characterization of Scandium Silyl Complexes of the Type Cp*2ScSiHRR'. σ-Bond Metathesis Reactions and Catalytic Dehydrogenative Silation of Hydrocarbons","Journal of the American Chemical Society","2005","127","","643","656","10.1021/ja040141r","","","0.7107","MoKα","","0.0819","0.065","","0.0959","0.09","0.09","","","","","","2.39","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111379","9.9125","0.0008","20.937","0.002","16.232","0.001","90","0.001","95.289","0.001","90","0.001","3354.4","0.5","135.2","","135.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Sc Si2 -","- C38 H2 Sc Si2 -","- C152 H8 Sc4 Si8 -","4","1","","Aaron D. Sadow; T. Don Tilley","Synthesis and Characterization of Scandium Silyl Complexes of the Type Cp*2ScSiHRR'. σ-Bond Metathesis Reactions and Catalytic Dehydrogenative Silation of Hydrocarbons","Journal of the American Chemical Society","2005","127","","643","656","10.1021/ja040141r","","","0.7107","MoKα","","0.0778","0.0442","","0.0612","0.0534","0.0534","","","","","","1.455","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111380","16.2746","0.0011","9.462","0.0007","18.9247","0.0014","90","","95.45","0.002","90","","2901","0.4","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O -","- C34 H52 O -","- C136 H208 O4 -","4","2","","David A. Powell; Toshihide Maki; Gregory C. Fu","Stille Cross-Couplings of Unactivated Secondary Alkyl Halides Using Monoorganotin Reagents","Journal of the American Chemical Society","2005","127","","510","511","10.1021/ja0436300","","","0.71073","MoKα","","0.0764","0.0535","","","0.1138","0.1252","","","","","","1.02","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111381","11.34","0.012","11.984","0.012","12.27","0.03","101.22","0.03","111.66","0.03","108.49","0.012","1375","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H37 N3 P Si2 Ta -","- C24 H38.5 N2.5 P Si2 Ta -","- C48 H77 N5 P2 Si4 Ta2 -","2","1","","Michael P. Shaver; Michael D. Fryzuk","Cleavage of Hydrazine and 1,1-Dimethylhydrazine by Dinuclear Tantalum Hydrides: Formation of Imides, Nitrides, and N,N-Dimethylamine","Journal of the American Chemical Society","2005","127","","500","501","10.1021/ja043732q","","","0.71073","MoKα","","0.0276","0.0265","","","0.0639","0.0649","","","","","","1.101","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111382","11.6976","0.0011","19.494","0.0011","23.2595","0.0015","90","","90.216","0.004","90","","5303.9","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 N6 P2 Si4 Ta2 -","- C48 H62 N6 P2 Si4 Ta2 -","- C192 H248 N24 P8 Si16 Ta8 -","4","1","","Michael P. Shaver; Michael D. Fryzuk","Cleavage of Hydrazine and 1,1-Dimethylhydrazine by Dinuclear Tantalum Hydrides: Formation of Imides, Nitrides, and N,N-Dimethylamine","Journal of the American Chemical Society","2005","127","","500","501","10.1021/ja043732q","","","0.71069","MoKα","","0.1225","0.0767","","","0.1651","0.1872","","","","","","1.029","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111383","14.75","0.003","10.849","0.002","16.712","0.003","90","","114.29","0.03","90","","2437.6","1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H61 B N2 P2 Ru -","- C54 H61 B N2 P2 Ru -","- C108 H122 B2 N4 P4 Ru2 -","2","1","","Rongwei Guo; Robert H. Morris; Datong Song","Enantioselective Tandem Michael Addition/H2-Hydrogenation Catalyzed by Ruthenium Hydride Borohydride Complexes Containing β-aminophosphine Ligands1","Journal of the American Chemical Society","2005","127","","516","517","10.1021/ja043782v","","","0.71073","MoKα","","0.0539","0.0426","","","0.1019","0.1093","","","","","","1.025","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111384","9.9809","0.0012","14.584","0.002","25.324","0.004","93.629","0.012","93.227","0.011","104.668","0.012","3548.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H79 F12 N3 O11 P2 -","- C57 H79 F12 N3 O11 P2 -","- C114 H158 F24 N6 O22 P4 -","2","1","","Feihe Huang; Devdatt S. Nagvekar; Carla Slebodnick; Harry W. Gibson","A Supramolecular Triarm Star Polymer from a Homotritopic Tris(Crown Ether) Host and a Complementary Monotopic Paraquat-Terminated Polystyrene Guest by a Supramolecular Coupling Method","Journal of the American Chemical Society","2005","127","","484","485","10.1021/ja0438516","","x-ray","0.71073","MoKα","","0.1583","0.1054","","","0.2828","0.3244","","","","","","1.002","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111385","9.5962","0.0005","12.6495","0.0007","14.5038","0.0008","104.342","0.001","90.559","0.001","105.38","0.001","1639.25","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 O8 Re2 Sn2 -","- C32 H20 O8 Re2 Sn2 -","- C64 H40 O16 Re4 Sn4 -","2","1","","Richard D. Adams; Burjor Captain; Mikael Johansson; Jack L. Smith","New Rhenium-Tin Cluster Adds Palladium Phosphine Groups across Re-Sn Bonds","Journal of the American Chemical Society","2005","127","","488","489","10.1021/ja0443169","","","0.71073","MoKα","","0.0491","0.0389","","","0.0956","0.103","","","","","","1.019","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111386","10.8119","0.0007","12.4429","0.0008","12.9946","0.0008","80.117","0.001","68.988","0.001","71.927","0.001","1547.82","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H74 O8 P2 Pd2 Re2 Sn2 -","- C56 H74 O8 P2 Pd2 Re2 Sn2 -","- C56 H74 O8 P2 Pd2 Re2 Sn2 -","1","0.5","","Richard D. Adams; Burjor Captain; Mikael Johansson; Jack L. Smith","New Rhenium-Tin Cluster Adds Palladium Phosphine Groups across Re-Sn Bonds","Journal of the American Chemical Society","2005","127","","488","489","10.1021/ja0443169","","","0.71073","MoKα","","0.042","0.0365","","","0.0887","0.0913","","","","","","1.042","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111387","26.157","0.003","15.602","0.003","27.03","0.004","90","","115.301","0.007","90","","9973","3","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C116.35 H112.7 B Cl0.7 Cu F4 N12 O2 -","- C116.355 H112.71 B Cl0.71 Cu F4 N12 O2 -","- C465.42 H450.84 B4 Cl2.84 Cu4 F16 N48 O8 -","4","1","","Shoko Kume; Masaki Murata; Tomoji Ozeki; Hiroshi Nishihara","Reversible Photoelectronic Signal Conversion Based on Photoisomerization-Controlled Coordination Change of Azobenzene-bipyridine Ligands to Copper","Journal of the American Chemical Society","2005","127","","490","491","10.1021/ja045093p","","","0.3282","synchrotron","","0.1508","0.1088","","","0.2746","0.3132","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111388","14.242","0.006","19.819","0.009","25.943","0.012","90","","93.533","0.006","90","","7309","6","113.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 B Cl2 Cu F4 N4 -","- C85.2 H80 B Cl1.2 Cu F4 N4 -","- C340.8 H320 B4 Cl4.8 Cu4 F16 N16 -","4","1","","Shoko Kume; Masaki Murata; Tomoji Ozeki; Hiroshi Nishihara","Reversible Photoelectronic Signal Conversion Based on Photoisomerization-Controlled Coordination Change of Azobenzene-bipyridine Ligands to Copper","Journal of the American Chemical Society","2005","127","","490","491","10.1021/ja045093p","","","0.7107","MoKα","","","0.096","","","","0.105","","","","","","6.848","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111389","7.9051","0.0006","10.8742","0.0008","17.6443","0.0013","90","","98.954","0.002","90","","1498.25","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0552","0.0457","","","0.1301","0.1463","","","","","","0.565","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111390","10.6133","0.0008","11.0274","0.0009","29.423","0.002","90","","90","","90","","3443.6","0.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C152 H152 N8 O32 S8 -","8","2","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0568","0.0421","","","0.111","0.13","","","","","","0.712","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111391","8.0072","0.001","21.705","0.003","6.8803","0.0009","90","","90","","90","","1195.8","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0736","0.0559","","","0.1752","0.2123","","","","","","0.854","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111392","9.9267","0.0008","6.2157","0.0005","19.2178","0.0015","90","","94.75","0.001","90","","1181.69","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0592","0.0535","","","0.1557","0.1687","","","","","","0.643","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111393","5.5895","0.0006","11.4355","0.0011","12.0083","0.0012","72.662","0.002","85.015","0.002","83.838","0.002","727.23","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0718","0.0653","","","0.1894","0.1984","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111394","7.1219","0.0007","20.2661","0.0019","22.218","0.002","90","","90","","90","","3206.8","0.5","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H26 N4 Zn -","- C48 H26 N4 Zn -","- C192 H104 N16 Zn4 -","4","1","","Mahendra Nath; Maren Pink; Jeffrey M. Zaleski","Controlling Both Ground- and Excited-State Thermal Barriers to Bergman Cyclization with Alkyne Termini Substitution","Journal of the American Chemical Society","2005","127","","478","479","10.1021/ja045979t","","","0.71073","MoKα","","0.0502","0.0366","","","0.0827","0.0888","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4111395","13.021","0.004","18.238","0.004","19.036","0.005","90","","104.93","0.009","90","","4368","2","130","2","130","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H38 N4 -","- C60 H38 N4 -","- C240 H152 N16 -","4","0.5","","Mahendra Nath; Maren Pink; Jeffrey M. Zaleski","Controlling Both Ground- and Excited-State Thermal Barriers to Bergman Cyclization with Alkyne Termini Substitution","Journal of the American Chemical Society","2005","127","","478","479","10.1021/ja045979t","","","0.71073","MoKα","","0.1482","0.0648","","","0.1449","0.1794","","","","","","0.974","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4111396","8.841","0.003","17.598","0.006","12.876","0.005","90","","98.67","0.03","90","","1980.4","1.2","293","2","293","2","","","","","","","synthesized by the authors, see text","3","P 1 21 1","P 2yb","4","","","","- C33 H46 O21 -","- C33 H46 O21 -","- C66 H92 O42 -","2","1","","Yvan Guindon; Mohammed Bencheqroun; Abderrahim Bouzide","Synthesis of Postulated Molecular Probes: Stereoselective Free-Radical-MediatedC-Glycosylation in Tandem with Hydrogen Transfer","Journal of the American Chemical Society","2005","127","","554","558","10.1021/ja046389y","","","1.54056","CuKα","","0.0882","0.0469","","0.1098","","0.0954","","","0.766","","","1.019","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111397","6.8915","0.0012","7.0243","0.0012","10.7781","0.0019","103.58","0.003","93.139","0.003","111.337","0.003","466.7","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C13 H32 Br2 N2 O2 -","- C13 H32 Br2 N2 O2 -","- C13 H32 Br2 N2 O2 -","1","1","","Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong","Structure and Properties of High Stability Geminal Dicationic Ionic Liquids","Journal of the American Chemical Society","2005","127","","593","604","10.1021/ja046521u","","","0.71073","MoKα","","0.0316","0.0294","","","0.0718","0.0728","","","","","","1.001","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111398","5.0921","0.0007","11.1143","0.0014","13.5598","0.0017","76.565","0.002","80.455","0.002","84.162","0.002","734.48","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 Br2 N4 -","- C11 H18 Br2 N4 -","- C22 H36 Br4 N8 -","2","1","","Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong","Structure and Properties of High Stability Geminal Dicationic Ionic Liquids","Journal of the American Chemical Society","2005","127","","593","604","10.1021/ja046521u","","","0.71073","MoKα","","0.0513","0.0406","","","0.1065","0.1134","","","","","","1.065","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111399","21.367","0.006","19.888","0.005","23.787","0.006","90","","90","","90","","10108","5","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H28 Br2 N2 -","- C13 H28 Br2 N2 -","- C312 H672 Br48 N48 -","24","3","","Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong","Structure and Properties of High Stability Geminal Dicationic Ionic Liquids","Journal of the American Chemical Society","2005","127","","593","604","10.1021/ja046521u","","","0.71073","MoKα","","0.1012","0.0696","","","0.1619","0.1806","","","","","","1.055","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111400","10.824","0.004","15.726","0.006","22.462","0.009","90","","92.693","0.006","90","","3819","3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Ca(MeOH)2](ClO4)2","","","- C30 H34 Ca Cl2 N4 O20 Zn2 -","- C30 H34 Ca Cl2 N4 O20 Zn2 -","- C120 H136 Ca4 Cl8 N16 O80 Zn8 -","4","0.5","","Shigehisa Akine; Takanori Taniguchi; Toshiyuki Saiki; Tatsuya Nabeshima","Ca2± and Ba2±Selective Receptors Based on Site-Selective Transmetalation of Multinuclear Polyoxime-Zinc(II) Complexes","Journal of the American Chemical Society","2005","127","","540","541","10.1021/ja046790k","","","0.71069","MoKα","","0.0434","0.0378","","","0.0874","0.0899","","","","","","1.057","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111401","10.5992","0.0013","12.4799","0.0016","16.162","0.002","96.715","0.002","92.452","0.002","93.815","0.002","2115.7","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","(Pentamethylcyclopentadienyldicarbonyl)(ferrocenylborylene) (tricyclohexylphosphinobromopalladium)","(Pentamethylcyclopentadienyldicarbonyl)(ferrocenylborylene) (tricyclohexylphosphinobromopalladium)","","- C43.5 H61 B Br Fe2 O2 P Pd -","- C43.5 H61 B Br Fe2 O2 P Pd -","- C87 H122 B2 Br2 Fe4 O4 P2 Pd2 -","2","1","","Holger Braunschweig; Krzysztof Radacki; Daniela Rais; Fabian Seeler; Katharina Uttinger","Heterodinuclear Bridged Borylene Complexes","Journal of the American Chemical Society","2005","127","","1386","1387","10.1021/ja0426746","","","0.71073","MoKα","","0.0326","0.0271","","","0.0675","0.0732","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111402","9.2329","0.0012","9.2329","0.0012","9.3868","0.0009","90","","90","","90","","800.19","0.17","295","2","295","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C H K N2 O2 -","- C H K N2 O2 -","- C8 H8 K8 N16 O16 -","8","0.5","","Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand","Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding","Journal of the American Chemical Society","2005","127","","1360","1361","10.1021/ja042877u","","","0.71073","MoKα","","0.0167","0.015","","0.0351","0.0335","","","","1.065","1.039","1.039","","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111403","8.2137","0.0008","14.215","0.002","7.9909","0.001","90","","99.816","0.009","90","","919.3","0.2","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H25 K N2 O8 -","- C13 H25 K N2 O8 -","- C26 H50 K2 N4 O16 -","2","1","","Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand","Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding","Journal of the American Chemical Society","2005","127","","1360","1361","10.1021/ja042877u","","","0.71073","MoKα","","0.0478","0.0395","","0.1122","0.1033","","","","1.105","1.106","1.106","","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111404","4.6921","0.0001","12.7144","0.00029","7.849","0.0002","90","","99.2655","0.0012","90","","462.14","0.019","293","2","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H Cs N2 O2 -","- C H Cs N2 O2 -","- C4 H4 Cs4 N8 O8 -","4","1","","Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand","Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding","Journal of the American Chemical Society","2005","127","","1360","1361","10.1021/ja042877u","","","0.71073","MoKα","","0.0231","0.0184","","","0.0373","0.0386","","","","","","1.187","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111405","10.3095","0.0017","10.4553","0.0018","35.754","0.006","90","","90","","90","","3853.9","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C53 H40 O3 -","- C53 H40 O3 -","- C212 H160 O12 -","4","1","","Aditya K. Unni; Norito Takenaka; Hisashi Yamamoto; Viresh H. Rawal","Axially Chiral Biaryl Diols Catalyze Highly Enantioselective Hetero-Diels-Alder Reactions through Hydrogen Bonding","Journal of the American Chemical Society","2005","127","","1336","1337","10.1021/ja044076x","","","0.71073","MoKα","","0.0486","0.0467","","","0.0909","0.0916","","","","","","1.206","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111406","12.379","0.003","15.315","0.003","13.674","0.003","90","","91.05","0.004","90","","2591.9","1","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 N O Th -","- C28 H41 N O Th -","- C112 H164 N4 O4 Th4 -","4","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.0387","0.0282","","","0.0789","0.0846","","","","","","1.462","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111407","9.812","0.002","15.279","0.003","10.093","0.002","90","","96.897","0.004","90","","1502.2","0.5","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H45 N O Th -","- C34 H45 N O Th -","- C68 H90 N2 O2 Th2 -","2","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.0614","0.0528","","","0.1336","0.1393","","","","","","1.156","","","","has coordinates,has disorder","189367","2020-10-21","18:00:00",""
"4111408","10.4834","0.0008","23.4188","0.0018","11.3589","0.0009","90","","94.019","0.001","90","","2781.9","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 N O U -","- C32 H41 N O U -","- C128 H164 N4 O4 U4 -","4","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.157","0.0864","","","0.118","0.1346","","","","","","1.136","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111409","10.4583","0.0004","23.2441","0.0008","11.4942","0.0004","90","","93.672","0.001","90","","2788.43","0.17","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 N O Th -","- C32 H41 N O Th -","- C128 H164 N4 O4 Th4 -","4","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.0319","0.0231","","","0.0595","0.0614","","","","","","1.137","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111410","17.664","0.003","14.848","0.002","18.129","0.003","90","","112.14","0.002","90","","4404.2","1.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N2 O12 Zn3 -","- C26 H32 N2 O12 Zn3 -","- C156 H192 N12 O72 Zn18 -","6","1.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.042","0.0281","","","0.0748","0.082","","","","","","1.032","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111411","29.6774","0.0019","9.6295","0.0006","7.9812","0.0005","90","","97.69","0.001","90","","2260.3","0.2","158","2","158","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Co N2 O7 -","- C24 H28 Co N2 O7 -","- C96 H112 Co4 N8 O28 -","4","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0795","0.0541","","","0.1546","0.166","","","","","","1.019","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111412","10.1023","0.0011","14.412","0.0016","14.9635","0.0017","70.59","0.002","72.752","0.002","87.142","0.002","1959.5","0.4","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H43 Cd2 N O10 -","- C46 H37 Cd2 N O10 -","- C92 H74 Cd4 N2 O20 -","2","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0368","0.0305","","","0.0809","0.0839","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111413","9.8294","0.0004","12.1098","0.0005","14.6279","0.0006","109.75","0.001","103.613","0.001","100.14","0.001","1529.29","0.11","158","2","158","2","","","","","","","","5","P -1","-P 1","2","MOF-80","","","- C33 H30 N2 O10 Tb -","- C33 H30 N2 O10 Tb -","- C66 H60 N4 O20 Tb2 -","2","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0587","0.0373","","","0.0742","0.0785","","","","","","0.939","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111414","8.3639","0.0003","17.9914","0.0008","9.9617","0.0004","90","","102.687","0.001","90","","1462.42","0.1","158","2","158","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O6 Pb -","- C12 H16 O6 Pb -","- C48 H64 O24 Pb4 -","4","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0282","0.0223","","","0.0586","0.0613","","","","","","1.101","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111415","19.2301","0.0016","7.2386","0.0006","8.8481","0.0007","90","","90","","90","","1231.65","0.17","298","2","298","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2.75 H Co0.25 N0.25 O1.25 -","- C2.75 H Co0.25 N0.25 O1.25 -","- C44 H16 Co4 N4 O20 -","16","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0364","0.0329","","","0.0877","0.0896","","","","","","1.105","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111416","13.686","0.002","18.252","0.003","14.906","0.003","90","","101.07","0.003","90","","3654.2","1.1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H8 Cd1.5 N O8 -","- C18 H8 Cd1.5 N O8 -","- C144 H64 Cd12 N8 O64 -","8","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0298","0.0258","","","0.066","0.0677","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111417","24.7821","0.0016","10.5842","0.0007","17.4219","0.0011","90","","129.932","0.001","90","","3504.1","0.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MnBDC(DEF)","","","- C17 H17 Mn1.5 N O7 -","- C17 H17 Mn1.5 N O7 -","- C136 H136 Mn12 N8 O56 -","8","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0896","0.0537","","","0.1165","0.1262","","","","","","0.935","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111418","25.9322","0.0015","25.9322","0.0015","6.8365","0.0004","90","","90","","120","","3981.5","0.4","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H20 N2 O10 Zn2 -","- C14 H2 N2 O8.98 Zn2 -","- C126 H18 N18 O80.82 Zn18 -","9","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0527","0.0464","","","0.1104","0.1133","","","","","","1.154","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111419","10.6926","0.0011","10.6727","0.0011","15.7533","0.0016","90","","95.865","0.002","90","","1788.3","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N3 O9 S Tb -","- C12 H16 N3 O9 S Tb -","- C48 H64 N12 O36 S4 Tb4 -","4","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0436","0.0415","","","0.0982","0.0989","","","","","","1.333","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111420","10.2792","0.0011","10.2792","0.0011","14.5376","0.0015","90","","90","","90","","1536.1","0.3","148","2","148","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C12 H13 N O8.5 Tb -","- C9 H3 O25 Tb -","- C36 H12 O100 Tb4 -","4","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.045","0.026","","","0.025","","","","","","","0.89","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111421","7.261","0.004","7.261","0.004","25.471","0.019","90","","90","","90","","1342.9","1.4","158","2","158","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C7 H6 O4 Zn -","- C7 H6 O4 Zn -","- C56 H48 O32 Zn8 -","8","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.081","0.0586","","","0.1553","0.1687","","","","","","1.093","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111422","6.7657","0.0003","16.3874","0.0007","12.2285","0.0005","90","","90.023","0.001","90","","1355.8","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","98312z","","","- C14 H46 Ga2 N4 Si4 -","- C14 H46 Ga2 N4 Si4 -","- C28 H92 Ga4 N8 Si8 -","2","0.5","","Bethany L. Kormos; Jolin A. Jegier; Paul C. Ewbank; Udo Pernisz; Victor G. Young; Christopher J. Cramer; Wayne L. Gladfelter","Oligomeric Rods of Alkyl- and Hydridogallium Imides","Journal of the American Chemical Society","2005","127","","1493","1503","10.1021/ja045149f","","","0.71073","MoKα","","0.0394","0.0306","","","0.0673","0.0701","","","","","","1.094","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111423","6.3815","0.0002","16.4835","0.0006","10.9674","0.0004","90","","106.542","0.001","90","","1105.91","0.07","90","1","90","1","","","","","","","","4","P 1 21 1","P 2yb","4","BrPh-cyclopropane","(1S, 2S) 2-(Acetoxy-phenyl-methyl)-2-(2-ethoxy-vinyl)-1-(4-bromo- phenyl)-cyclopropanecarboxylic acid methyl ester","","- C24 H25 Br O5 -","- C24 H25 Br O5 -","- C48 H50 Br2 O10 -","2","1","","Liang Deng; Anthony J. Giessert; Oksana O. Gerlitz; Xing Dai; Steven T. Diver; Huw M. L. Davies","Metal Carbene-Promoted Sequential Transformations for the Enantioselective Synthesis of Highly Functionalized Cycloheptadienes","Journal of the American Chemical Society","2005","127","","1342","1343","10.1021/ja045173t","","","0.71073","MoKα","","0.0263","0.0249","","","0.0618","0.0622","","","","","","1.036","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111424","10.8185","0.0002","13.0054","0.0003","16.0637","0.0003","83.061","0.001","77.156","0.001","81.597","0.001","2170.78","0.08","100","1","100","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H57 Cl N2 P2 Ru -","- C54 H57 Cl N2 P2 Ru -","- C108 H114 Cl2 N4 P4 Ru2 -","2","2","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0578","0.0478","","","0.122","0.1289","","","","","","1.017","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111425","13.3032","0.0006","14.062","0.0004","18.4444","0.0008","81.56","0.002","81.239","0.002","89.956","0.002","3372.4","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H39 Cl N2 P2 Ru -","- C38 H38 Cl N2 P2 Ru -","- C152 H152 Cl4 N8 P8 Ru4 -","4","2","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0892","0.0574","","","0.1423","0.1596","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111426","11.0741","0.0002","13.71","0.0003","16.8074","0.0003","84.21","0.001","82.089","0.001","67.678","0.001","2334.82","0.08","150","1","150","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H55 N2 O2 P3 Ru -","- C54 H55 N2 O2 P3 Ru -","- C108 H110 N4 O4 P6 Ru2 -","2","2","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0441","0.0352","","","0.0726","0.0761","","","","","","1.034","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111427","10.4107","0.0001","14.1121","0.0002","27.0744","0.0005","97.828","0.008","97.705","0.001","101.796","0.001","3803.25","0.14","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C92 H85 N2 P4 Ru2 -","- C92 H85 N2 P4 Ru2 -","- C184 H170 N4 P8 Ru4 -","2","1","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0676","0.0446","","","0.1018","0.1106","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111428","11.84","0.005","14.971","0.007","16.114","0.007","90","","90.842","0.008","90","","2856","2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Cl P2 Pt S -","- C32 H29 Cl P2 Pt S -","- C128 H116 Cl4 P8 Pt4 S4 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0832","0.07","","","0.1622","0.1686","","","","","","1.195","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111429","19.899","0.003","9.5261","0.0014","15.329","0.002","90","","94.378","0.003","90","","2897.3","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 N2 Pd S3 -","- C25 H48 N2 Pd S3 -","- C100 H192 N8 Pd4 S12 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0882","0.0486","","","0.1156","0.1367","","","","","","1.026","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111430","8.8102","0.0014","12.479","0.002","16.025","0.003","90","","90","","90","","1761.8","0.5","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 Cl2 Fe N2 Ni S2 -","- C11 H24 Cl2 Fe N2 Ni S2 -","- C44 H96 Cl8 Fe4 N8 Ni4 S8 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0736","0.0709","","","0.1692","0.172","","","","","","1.098","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111431","9.5118","0.0005","15.7143","0.0008","21.7253","0.0011","90","","93.42","0.001","90","","3241.5","0.3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H78 Cl6 N4 Ni5 P2 S4 -","- C58 H78 Cl6 N4 Ni5 P2 S4 -","- C116 H156 Cl12 N8 Ni10 P4 S8 -","2","0.5","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0591","0.0517","","","0.0898","0.0918","","","","","","1.349","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111432","8.537","0.003","14.338","0.005","15.089","0.005","98.508","0.009","101.711","0.009","106.176","0.007","1695.3","1","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H39 Cl F6 N2 Ni P2 Pd S2 -","- C29 H39 Cl F6 N2 Ni P2 Pd S2 -","- C58 H78 Cl2 F12 N4 Ni2 P4 Pd2 S4 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.1331","0.0634","","","0.1324","0.1577","","","","","","0.988","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111433","8.521","0.002","14.353","0.004","15.153","0.004","98.851","0.006","101.594","0.006","106.111","0.006","1700.3","0.8","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H39 Cl F6 N2 Ni P2 Pt S2 -","- C29 H39 Cl F6 N2 Ni P2 Pt S2 -","- C58 H78 Cl2 F12 N4 Ni2 P4 Pt2 S4 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0982","0.0551","","","0.1117","0.1276","","","","","","1.032","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111434","9.888","0.0018","10.803","0.002","15.035","0.003","95.877","0.004","96.162","0.004","95.472","0.004","1579.2","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H38 F6 N2 Ni2 P2 S3 -","- C25 H38 F6 N2 Ni2 P2 S3 -","- C50 H76 F12 N4 Ni4 P4 S6 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0724","0.0586","","","0.1614","0.1778","","","","","","1.03","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111435","9.8976","0.0015","10.9346","0.0017","15.043","0.002","94.906","0.004","96.752","0.004","94.115","0.004","1605.3","0.4","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H38 F6 N2 Ni P2 Pd S3 -","- C25 H38 F6 N2 Ni P2 Pd S3 -","- C50 H76 F12 N4 Ni2 P4 Pd2 S6 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0764","0.0586","","","0.148","0.1633","","","","","","1.082","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111436","9.731","0.003","10.97","0.003","15.1","0.004","94.878","0.006","96.693","0.005","93.495","0.006","1591","0.8","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H38 F6 N2 Ni P2 Pt S3 -","- C25 H38 F6 N2 Ni P2 Pt S3 -","- C50 H76 F12 N4 Ni2 P4 Pt2 S6 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.082","0.0534","","","0.1222","0.1398","","","","","","1.004","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111437","11.4615","0.0019","14.999","0.003","24.035","0.004","90","","90","","90","","4131.9","1.3","273","2","273","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C44 H42 Cl2 N2 Ni O2 P2 Pt S2 -","- C44 H42 Cl2 N2 Ni O2 P2 Pt S2 -","- C176 H168 Cl8 N8 Ni4 O8 P8 Pt4 S8 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0704","0.0482","","","0.09","0.0974","","","","","","0.996","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111438","21.0484","0.0018","30.319","0.003","31.941","0.003","90","","91.844","0.002","90","","20373","3","273","2","273","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C83 H119.5 Fe4 N4.5 Ni O0.5 S15 -","- C83.5 H104 Fe4 N4 Ni O0.5 S15 -","- C668 H832 Fe32 N32 Ni8 O4 S120 -","8","2","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.1214","0.0725","","","0.1706","0.1987","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111439","23.596","0.003","24.803","0.003","40.915","0.005","86.471","0.002","80.242","0.002","64.576","0.002","21312","5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C160 H215 Fe8 N7 S27 -","- C166.5 H203 Fe8 N3 S27 -","- C666 H812 Fe32 N12 S108 -","4","2","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.1579","0.0802","","","0.2058","0.2517","","","","","","1.016","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111440","11.9103","0.0009","15.6951","0.001","12.4372","0.0009","90","","105.863","0.003","90","","2236.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","fluorene-bound bis(styryl)benzene","","","- C56 H46 O2 Si2 -","- C56 H46 O2 Si2 -","- C112 H92 O4 Si4 -","2","0.5","","Chaihong Xu; Atsushi Wakamiya; Shigehiro Yamaguchi","Ladder Oligo(p-phenylenevinylene)s with Silicon and Carbon Bridges","Journal of the American Chemical Society","2005","127","","1638","1639","10.1021/ja042964m","","","0.7107","MoKα","","0.0762","0.0649","","","0.1534","0.1605","","","","","","1.087","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111441","10.488","0.002","23.117","0.005","23.601","0.005","90","0.0011","91.0748","0.0011","90","0.0011","5721","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bridged-LOPVs 13mer","","","- C138 H136 Si4 -","- C138 H136 Si4 -","- C276 H272 Si8 -","2","0.5","","Chaihong Xu; Atsushi Wakamiya; Shigehiro Yamaguchi","Ladder Oligo(p-phenylenevinylene)s with Silicon and Carbon Bridges","Journal of the American Chemical Society","2005","127","","1638","1639","10.1021/ja042964m","","","0.7107","MoKα","","0.1052","0.083","","","0.2042","0.2204","","","","","","1.082","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111442","9.3478","0.0009","12.7131","0.0012","13.9069","0.0013","97.349","0.003","109.127","0.002","97.243","0.002","1523.5","0.3","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 N3 O8 S -","- C32 H31 N3 O8 S -","- C64 H62 N6 O16 S2 -","2","1","","Mu-Hyun Baik; Erich W. Baum; Matthew C. Burland; P. Andrew Evans","Diastereoselective Intermolecular Rhodium-Catalyzed [4 + 2 + 2] Carbocyclization Reactions: Computational and Experimental Evidence for the Intermediacy of an Alternative Metallacycle Intermediate","Journal of the American Chemical Society","2005","127","","1602","1603","10.1021/ja043521l","","","0.71073","MoKα","","0.0509","0.0441","","","0.121","0.1263","","","","","","1.059","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111443","14.4595","0.0018","15.121","0.0015","19.5755","0.0008","86.599","0.009","68.876","0.005","61.576","0.009","3478.1","0.7","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H91 B2 Ir N6 O3 -","- C81 H91 B2 Ir N6 O3 -","- C162 H182 B4 Ir2 N12 O6 -","2","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0338","0.0245","","0.051","0.048","0.051","","","1.099","","","1.099","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111444","9.1802","0.0019","11.5828","0.0018","23.581","0.004","90","","101.193","0.019","90","","2459.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 F6 Ir N4 P -","- C23 H28 F6 Ir N4 P -","- C92 H112 F24 Ir4 N16 P4 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0911","0.0529","","0.1314","0.115","0.1314","","","1.064","","","1.064","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111445","13.072","0.002","12.454","0.002","18.86","0.003","90","","109.734","0.011","90","","2890.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H28 F12 Ir N4 P2 -","- C23 H28 F12 Ir N4 P2 -","- C92 H112 F48 Ir4 N16 P8 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0546","0.0393","","0.1011","0.0939","0.1011","","","1.051","","","1.051","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111446","13.9423","0.001","13.2295","0.0014","14.7294","0.0015","90","","116.392","0.01","90","","2433.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 F6 Ir N4 P -","- C22 H26 F6 Ir N4 P -","- C88 H104 F24 Ir4 N16 P4 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0619","0.0444","","0.114","0.1066","0.114","","","1.106","","","1.106","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111447","12.1371","0.001","14.9716","0.0012","19.096","0.002","73.115","0.008","80.005","0.008","73.965","0.008","3174.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H61 F24 Ir2 N11 P4 -","- C50 H61 F24 Ir2 N11 P4 -","- C100 H122 F48 Ir4 N22 P8 -","2","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0587","0.0379","","0.0966","0.0882","0.0966","","","1.065","","","1.065","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111448","12.5","0.002","12.837","0.004","13.093","0.005","61.49","0.03","75.105","0.019","68.503","0.018","1709","1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H33 F12 Ir N5 O P2 S -","- C25 H33 F12 Ir N5 O P2 S -","- C50 H66 F24 Ir2 N10 O2 P4 S2 -","2","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0538","0.0408","","0.1101","0.1032","0.1101","","","1.093","","","1.093","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111449","10.5432","0.0002","16.3409","0.0003","13.4964","0.0003","90","","94.8074","0.0009","90","","2317.05","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl F6 Ir N4 P -","- C21 H24 Cl F6 Ir N4 P -","- C84 H96 Cl4 F24 Ir4 N16 P4 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0536","0.0285","","0.0582","0.0528","0.0582","","","1.023","","","1.023","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111450","17.6536","0.0018","12.464","0.001","27.7263","0.0017","90","","90.002","0.007","90","","6100.7","0.9","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 B2 Ir N5 O2 -","- C72 H70 B2 Ir N5 O2 -","- C288 H280 B8 Ir4 N20 O8 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.1084","0.0446","","0.1756","0.1221","0.1756","","","0.656","","","0.656","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111451","16.027","0.004","14.913","0.004","23.619","0.008","90","","90","","90","","5645","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","BiCych-18-crown-6 K * DNB","Bis(cyclohexano)-18-crown-6 potassium dinitrobenzene","","- C26 H40 K N2 O10 -","- C26 H40 K N2 O10 -","- C208 H320 K8 N16 O80 -","8","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.1355","0.0492","","","0.0971","0.1114","","","","","","0.762","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111452","12.1156","0.0006","12.8981","0.0007","12.9427","0.0007","111.682","0.001","91.833","0.001","110.057","0.001","1736.03","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(Benzo-15-crown)2K*DNB","Bis(benzo-15-crown-5)potassium dinitrobenzene","","- C34 H44 K N2 O14 -","- C34 H44 K N2 O14 -","- C68 H88 K2 N4 O28 -","2","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.0605","0.0471","","0.124","","0.1105","","","1.016","","","1.038","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111453","18.232","0.0009","11.6937","0.0006","13.9494","0.0007","90","","107.036","0.001","90","","2843.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CryptK * DNB","Potassium(cryptand) dinitrobenzene","","- C24 H40 K N4 O10 -","- C24 H40 K N4 O10 -","- C96 H160 K4 N16 O40 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.0452","0.0386","","0.1054","","0.097","","","1.025","","","1.044","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111454","20.411","0.003","8.3205","0.0012","22.718","0.004","90","","103.938","0.004","90","","3744.6","1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(18-crown-6 potassium) dinitrobenzene","","- C30 H52 K2 N2 O16 -","- C30 H52 K2 N2 O16 -","- C120 H208 K8 N8 O64 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.0933","0.0542","","0.1513","","0.1244","","","1.006","","","1.06","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111455","8.551","0.001","10.112","0.002","26.361","0.005","91.776","0.005","98.641","0.005","99.773","0.01","2217.1","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H64 B F3 K N O7.5 -","- C44 H64 B F3 K N O7.5 -","- C88 H128 B2 F6 K2 N2 O15 -","2","1","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.1069","0.0484","","","0.1036","0.1238","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111456","13.9617","0.0012","14.0737","0.0011","17.2592","0.0014","93.22","0.004","110.871","0.003","98.433","0.003","3112.9","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H45.5 N3 O Pd -","- C30.485 H45.48 N3 O Pd -","- C121.94 H181.92 N12 O4 Pd4 -","4","2","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.1446","0.0493","","","0.0899","0.1095","","","","","","0.773","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111457","23.574","0.002","14.38","0.003","31.49","0.004","90","","90","","90","","10675","3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26.22 H36.44 Cl0.44 N2 O Pd -","- C26.22 H36 Cl0.44 N2 O Pd -","- C419.52 H576 Cl7.04 N32 O16 Pd16 -","16","2","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.0778","0.0446","","","0.1086","0.125","","","","","","1.064","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111458","14.004","0.004","16.841","0.005","21.172","0.006","85.573","0.017","80.042","0.016","88.58","0.02","4903","2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H69.5 B F3 K N2.5 O7 P Pd -","- C42 H69.5 B F3 K N2.5 O7 P Pd -","- C168 H278 B4 F12 K4 N10 O28 P4 Pd4 -","4","2","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.1237","0.0629","","","0.1249","0.1561","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111459","23.5116","0.0012","17.1359","0.0008","27.4042","0.0014","90","","113.717","0.002","90","","10108.5","0.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H132 Cl4 N9 O3 Pd3 -","- C92 H131.992 Cl3.992 N9 O3 Pd3 -","- C368 H527.968 Cl15.968 N36 O12 Pd12 -","4","1","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.1801","0.0889","","","0.206","0.2707","","","","","","1.11","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111460","9.5911","0.0004","38.692","0.002","5.0505","0.0002","90","","90","","90","","1874.23","0.14","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","0.5","","Hegui Gong; Michael J. Krische","Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues","Journal of the American Chemical Society","2005","127","","1719","1725","10.1021/ja044566p","","","0.71073","MoKα","","0.0832","0.0452","","","0.0987","0.1148","","","","","","1.019","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111461","20.6093","0.0009","9.6923","0.0004","16.071","0.0006","90","","97.685","0.002","90","","3181.4","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H84 N16 O4 -","- C70 H84 N16 O4 -","- C140 H168 N32 O8 -","2","0.5","","Hegui Gong; Michael J. Krische","Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues","Journal of the American Chemical Society","2005","127","","1719","1725","10.1021/ja044566p","","","0.71073","MoKα","","0.2277","0.1532","","","0.1801","0.2088","","","","","","2.202","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111462","7.8166","0.0002","14.6283","0.0005","9.1974","0.0003","90","","107.032","0.002","90","","1005.54","0.06","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 N4 -","- C4 H6 N4 -","- C32 H48 N32 -","8","1","","Hegui Gong; Michael J. Krische","Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues","Journal of the American Chemical Society","2005","127","","1719","1725","10.1021/ja044566p","","","0.71073","MoKα","","0.0664","0.0403","","","0.0999","0.1122","","","","","","1.05","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111463","16.4143","0.0015","14.1225","0.0013","20.7686","0.0019","90","","109.186","0.002","90","","4547","0.7","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H56 B Fe N P3 -","- C55 H56 B Fe N P3 -","- C220 H224 B4 Fe4 N4 P12 -","4","1","","Steven D. Brown; Jonas C. Peters","Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers","Journal of the American Chemical Society","2005","127","","1913","1923","10.1021/ja0453073","","","0.71073","MoKα","","0.0798","0.0489","","","0.0982","0.1031","","","","","","1.887","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111464","13.0738","0.001","14.2209","0.0011","14.6878","0.0012","118.227","0.001","95.229","0.001","111.09","0.001","2128.4","0.3","96","2","96","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H47 B Fe N3 P3 -","- C51 H47 B Fe N3 P3 -","- C102 H94 B2 Fe2 N6 P6 -","2","1","","Steven D. Brown; Jonas C. Peters","Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers","Journal of the American Chemical Society","2005","127","","1913","1923","10.1021/ja0453073","","","0.71073","MoKα","","0.0562","0.0396","","","0.0858","0.0893","","","","","","1.809","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111465","12.173","0.003","14.051","0.004","22.131","0.006","71.61","0.004","79.79","0.004","68.373","0.004","3331.2","1.5","96","2","96","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H100 B Fe N2 O P3 -","- C75 H100 B Fe N2 O P3 -","- C150 H200 B2 Fe2 N4 O2 P6 -","2","1","","Steven D. Brown; Jonas C. Peters","Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers","Journal of the American Chemical Society","2005","127","","1913","1923","10.1021/ja0453073","","","0.71073","MoKα","","0.0755","0.047","","","0.0972","0.103","","","","","","1.826","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111466","16.791","0.0008","13.7352","0.0006","43.299","0.002","90","","93.653","0.001","90","","9965.7","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C114 H130 B2 Fe2 N Na O6 P6 -","- C114 H130 B2 Fe2 N Na O6 P6 -","- C456 H520 B8 Fe8 N4 Na4 O24 P24 -","4","1","","Steven D. Brown; Jonas C. Peters","Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers","Journal of the American Chemical Society","2005","127","","1913","1923","10.1021/ja0453073","","","0.71073","MoKα","","0.1239","0.065","","","0.094","0.1004","","","","","","1.508","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111467","14.277","0.0002","9.3405","0.0004","17.8241","0.0005","90","","90","","90","","2376.92","0.13","150","1","150","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H26 Fe Ni2 Si -","- C29 H26 Fe Ni2 Si -","- C116 H104 Fe4 Ni8 Si4 -","4","1","","Wing Yan Chan; Scott B. Clendenning; Andrea Berenbaum; Alan J. Lough; Stephane Aouba; Harry E. Ruda; Ian Manners","Highly Metallized Polymers: Synthesis, Characterization, and Lithographic Patterning of Polyferrocenylsilanes with Pendant Cobalt, Molybdenum, and Nickel Cluster Substituents","Journal of the American Chemical Society","2005","127","","1765","1772","10.1021/ja045386i","","","0.71073","MoKα","","0.048","0.0347","","","0.0742","0.0803","","","","","","1.043","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111468","14.4356","0.0004","15.5402","0.0003","25.6347","0.0006","90","","90","","90","","5750.7","0.2","116.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H39 N Zr -","- C37 H39 N Zr -","- C296 H312 N8 Zr8 -","8","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","","0.0381","","","","0.0428","","","","","","1.383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111469","16.713","0.01","7.98","0.005","16.138","0.009","90","","92.41","0.01","90","","2150","2","143.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N Zr -","- C27 H33 N Zr -","- C108 H132 N4 Zr4 -","4","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","","0.047","","","","0.0479","","","","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111470","9.1388","0.0005","13.1102","0.0007","16.0211","0.0009","66.542","0.001","78.127","0.001","82.211","0.001","1720.12","0.16","133.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 N Sn Zr -","- C39.5 H41 N Sn Zr -","- C79 H82 N2 Sn2 Zr2 -","2","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","","0.0407","","","","0.0535","","","","","","1.769","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111471","9.846","0.0008","18.663","0.001","14.673","0.001","90","","106.62","0.001","90","","2583.6","0.3","143.2","","143.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 N Zr -","- C31 H39 N Zr -","- C124 H156 N4 Zr4 -","4","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","0.0695","0.0351","","","0.0362","0.0409","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111472","15.037","0.002","15.037","0.002","17.395","0.003","90","","90","","120","","3406.3","0.9","173","2","173","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","Complex 3","","","- C15.5 H33 Cl F6 Fe N4 P S -","- C15.5 H33 Cl F6 Fe N4 P S -","- C93 H198 Cl6 F36 Fe6 N24 P6 S6 -","6","0.5","","Adam T. Fiedler; Heather L. Halfen; Jason A. Halfen; Thomas C. Brunold","Synthesis, Structure Determination, and Spectroscopic/Computational Characterization of a Series of Fe(II)-Thiolate Model Complexes: Implications for Fe-S Bonding in Superoxide Reductases","Journal of the American Chemical Society","2005","127","","1675","1689","10.1021/ja046939s","","","0.71073","MoKα","","0.1149","0.071","","","0.1752","0.2041","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111473","17.952","0.002","16.829","0.002","17.932","0.002","90","","90","","90","","5417.5","1.1","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","040038","","","- C22 H39 F3 Fe N4 O4 S2 -","- C21.9985 H39 F3 Fe N4 O4 S1.9985 -","- C175.988 H312 F24 Fe8 N32 O32 S15.988 -","8","2","","Adam T. Fiedler; Heather L. Halfen; Jason A. Halfen; Thomas C. Brunold","Synthesis, Structure Determination, and Spectroscopic/Computational Characterization of a Series of Fe(II)-Thiolate Model Complexes: Implications for Fe-S Bonding in Superoxide Reductases","Journal of the American Chemical Society","2005","127","","1675","1689","10.1021/ja046939s","","","0.71073","MoKα","","0.0767","0.0543","","","0.1165","0.1276","","","","","","1.006","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111474","12.061","0.001","15.232","0.001","12.918","0","90","","102.32","0","90","","2318.6","0.2","273.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-hydroxy-7-phenylindan-1-one","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","2","","Wender, Paul A.; Gamber, Gabriel G.; Hubbard, Robert D.; Pham, Son M.; Zhang, Lei","Multicomponent Cycloadditions: The Four-Component [5+1+2+1] Cycloaddition of Vinylcyclopropanes, Alkynes, and CO","Journal of the American Chemical Society","2005","127","9","2836","2837","10.1021/ja042728b","","","0.7107","MoKα","","","0.042","","","","0.11","","","","","","0.884","","","","has coordinates","210881","2020-10-21","18:00:00",""
"4111475","11.154","0.001","24.671","0.003","35.434","0.006","90","","90","","90","","9751","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H50 Cl2 Os P2 -","- C59 H50 Cl2 Os P2 -","- C472 H400 Cl16 Os8 P16 -","8","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.143","0.059","","","0.1126","0.1426","","","","","","1.009","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111476","12.7467","0.0011","14.0114","0.0012","17.2587","0.0015","77.178","0.002","70.503","0.002","78.564","0.002","2807.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H50 Cl4 Os P2 -","- C61 H50 Cl4 Os P2 -","- C122 H100 Cl8 Os2 P4 -","2","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.1903","0.0679","","","0.1476","0.1887","","","","","","0.881","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111477","12.5348","0.0008","13.5531","0.0008","17.753","0.0011","95.84","0.001","100.034","0.001","116.607","0.001","2599.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H52 Cl4 Os P2 -","- C62 H52 Cl4 Os P2 -","- C124 H104 Cl8 Os2 P4 -","2","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.0566","0.0427","","","0.0776","0.0816","","","","","","0.972","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111478","12.6117","0.0007","13.9967","0.0008","16.439","0.0009","76.998","0.001","73.868","0.001","78.661","0.001","2688.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 Cl6 Os P2 -","- C60 H56 Cl6 Os P2 -","- C120 H112 Cl12 Os2 P4 -","2","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.0377","0.0329","","","0.0805","0.0824","","","","","","1.031","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111479","13.0714","0.0002","19.7126","0.0005","17.3751","0.0004","90","","95.9628","0.0012","90","","4452.84","0.17","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H49 Cl1.5 F6 N2 O11 Pd S2 -","- C30.5 H49 Cl1.5 F6 N2 O11 Pd S2 -","- C122 H196 Cl6 F24 N8 O44 Pd4 S8 -","4","1","","Candace N. Cornell; Matthew S. Sigman","Discovery of and Mechanistic Insight into a Ligand-Modulated Palladium-Catalyzed Wacker Oxidation of Styrenes Using TBHP","Journal of the American Chemical Society","2005","127","","2796","2797","10.1021/ja043203m","","","0.71073","MoKα","","0.0764","0.0602","","","0.1587","0.1697","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111480","6.2614","0.001","8.3523","0.0014","17.417","0.003","76.737","0.003","88.019","0.003","88.673","0.003","885.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N O2 S -","- C21 H27 N O2 S -","- C42 H54 N2 O4 S2 -","2","1","","Jodie L. Brice; Jenna E. Harang; Vitaliy I. Timokhin; Natia R. Anastasi; Shannon S. Stahl","Aerobic Oxidative Amination of Unactivated Alkenes Catalyzed by Palladium","Journal of the American Chemical Society","2005","127","","2868","2869","10.1021/ja0433020","","","0.71073","MoKα","","0.083","0.071","","","0.1616","0.1661","","","","","","1.287","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111481","8.1137","0.0005","13.1016","0.0007","39.0663","0.0014","90","","92.2016","0.0003","90","","4149.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 N4 -","- C52 H50 N4 -","- C208 H200 N16 -","4","1","","Bun Yeoul Lee; Heon Yong Kwon; Su Yeon Lee; Sung Jae Na; Song-i Han; Hoseop Yun; Hyosun Lee; Young-Whan Park","Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO2 Copolymerization","Journal of the American Chemical Society","2005","127","","3031","3037","10.1021/ja0435135","","","0.71073","MoKα","","0.1079","0.0528","","","0.1026","0.1234","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111482","24.4623","0.001","12.9181","0.0003","24.3219","0.001","90","","118.462","0.001","90","","6756.9","0.4","293","2","150","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C68 H83 N4 O4.5 S2 Zn2 -","- C68 H83 N4 O4.5 S2 Zn2 -","- C272 H332 N16 O18 S8 Zn8 -","4","1","","Bun Yeoul Lee; Heon Yong Kwon; Su Yeon Lee; Sung Jae Na; Song-i Han; Hoseop Yun; Hyosun Lee; Young-Whan Park","Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO2 Copolymerization","Journal of the American Chemical Society","2005","127","","3031","3037","10.1021/ja0435135","","","0.71073","MoKα","","0.1097","0.0717","","","0.2156","0.2316","","","","","","1.057","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111483","41.0701","0.0002","15.8235","0.0005","22.6557","0.0008","90","","101.666","0.002","90","","14419.2","0.7","293","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H72 N4 O4 S2 Zn2 -","- C71 H69 N4 O4 S2 Zn2 -","- C568 H552 N32 O32 S16 Zn16 -","8","1","","Bun Yeoul Lee; Heon Yong Kwon; Su Yeon Lee; Sung Jae Na; Song-i Han; Hoseop Yun; Hyosun Lee; Young-Whan Park","Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO2 Copolymerization","Journal of the American Chemical Society","2005","127","","3031","3037","10.1021/ja0435135","","","0.71073","MoKα","","0.1395","0.0864","","","0.265","0.2907","","","","","","1.019","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111484","25.912","0.005","17.308","0.004","9.044","0.0018","90","","90","","90","","4056.1","1.5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","tris-(μ-2-Di-t-butylphosphido)-tricarbonyl-triangulo-tri-platinum(i,i,ii) trifluoromethanesulfonate","","- C28 H54 F3 O6 P3 Pt3 S -","- C28 H55 F3 O6 P3 Pt3 S -","- C112 H220 F12 O24 P12 Pt12 S4 -","4","0.5","","Fabrizia Fabrizi de Biani; Andrea Ienco; Franco Laschi; Piero Leoni; Fabio Marchetti; Lorella Marchetti; Carlo Mealli; Piero Zanello","Formation and Characterization of the Hexanuclear Platinum Cluster [Pt~6~(μ-P-t-Bu~2~)~4~(CO)~6~](CF~3~SO~3~)~2~ through Structural, Electrochemical and Computational Analyses","Journal of the American Chemical Society","2005","127","","3076","3089","10.1021/ja043626o","","","0.71073","MoKα","","0.11","0.0556","","","0.112","0.1364","","","","","","1.03","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111485","11.5608","0.0011","12.2314","0.0012","11.4007","0.0011","90","","111.596","0.002","90","","1498.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N O6 Sn -","- C11 H17 N O6 Sn -","- C44 H68 N4 O24 Sn4 -","4","1","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.0418","0.0362","","","0.0794","0.082","","","","","","1.172","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111486","26.594","0.004","9.5792","0.0014","24.2","0.004","90","","114.73","0.003","90","","5599.5","1.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H77 N3 O16 Sn3 -","- C48 H75 N3 O16 Sn3 -","- C192 H300 N12 O64 Sn12 -","4","1","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.0886","0.0751","","","0.1452","0.1516","","","","","","1.086","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111487","16.214","0.014","16.214","0.014","17.23","0.02","90","","90","","120","","3923","7","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C57 H99 N3 O18 S6 Sn3 -","- C57 H81 N3 O18 S6 Sn3 -","- C114 H162 N6 O36 S12 Sn6 -","2","0.166667","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.0944","0.0611","","","0.1782","0.2012","","","","","","1.098","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111488","25.1483","0.001","25.1483","0.001","25.1483","0.001","90","","90","","90","","15904.7","1.1","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C54 H96 N3 O19.5 Sn3 -","- C54 H87 N3 O19.5 Sn3 -","- C432 H696 N24 O156 Sn24 -","8","0.333333","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.093","0.0916","","","0.2275","0.2285","","","","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111489","17.878","0.003","17.958","0.003","18.053","0.003","102.151","0.003","104.815","0.004","119.645","0.003","4461.1","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H87 N3 O20 S8 Sn3 -","- C71 H75 N3 O19 S8 Sn3 -","- C142 H150 N6 O38 S16 Sn6 -","2","1","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.2035","0.0904","","","0.2316","0.2912","","","","","","0.963","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111490","14.3976","0.0007","20.3199","0.0009","14.8154","0.0007","90","","112.971","0.001","90","","3990.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 K N4 O9 -","- C40 H53 K N4 O9 -","- C160 H212 K4 N16 O36 -","4","1","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","","0.71073","MoKα","","0.0559","0.0481","","","0.1361","0.1441","","","","","","1.033","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111491","11.0352","0.0005","13.6633","0.0006","27.7361","0.0013","90","","98.894","0.001","90","","4131.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 K N5 O10 -","- C40 H54 K N5 O10 -","- C160 H216 K4 N20 O40 -","4","1","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","","0.71073","MoKα","","0.0893","0.0813","","","0.2207","0.2283","","","","","","1.068","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111492","10.785","0.002","13.577","0.003","14.016","0.003","87.596","0.004","79.17","0.004","76.86","0.004","1963","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 Li N5 O11 -","- C38 H54 Li N5 O11 -","- C76 H108 Li2 N10 O22 -","2","1","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","","0.71073","MoKα","","0.1448","0.1088","","","0.2911","0.3381","","","","","","1.051","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111493","13.1842","0.0002","13.3913","0.0002","25.3011","0.0005","76.996","0.001","77.41","0.001","72.797","0.001","4102.34","0.12","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C40.72 H55.46 N5 Na O9.37 -","- C38 H49.691 N5 Na O8 -","- C152 H198.764 N20 Na4 O32 -","4","2","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","x-ray","0.71073","MoKα","","0.0904","0.0821","","","0.2232","0.2307","","","","","","1.073","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111494","13.2057","0.0006","13.2493","0.0007","13.4351","0.0007","74.552","0.001","74.532","0.001","73.806","0.001","2128.34","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.2 H56.4 N5 Na O10.6 -","- C41.2 H50 N5 Na O10.6 -","- C82.4 H100 N10 Na2 O21.2 -","2","1","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","","0.71073","MoKα","","0.0996","0.0723","","","0.2001","0.2233","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111495","35.975","0.004","4.646","0.008","9.8781","0.001","90","","99.846","0.01","90","","1627","3","150","","150","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C72 H88 N16 O8 -","4","0.5","","Rolf A. Koevoets; Ron M. Versteegen; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E. W. Meijer","Molecular Recognition in a Thermoplastic Elastomer","Journal of the American Chemical Society","2005","127","","2999","3003","10.1021/ja0451160","","x-ray","0.71073","MoKα","","0.0435","0.0373","","","0.1014","0.1067","","","","","","1.03","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111496","42.055","0.004","4.633","0.01","9.7768","0.001","90","","91.008","0.01","90","","1905","4","150","","150","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N4 O2 -","- C21 H28 N4 O2 -","- C84 H112 N16 O8 -","4","0.5","","Rolf A. Koevoets; Ron M. Versteegen; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E. W. Meijer","Molecular Recognition in a Thermoplastic Elastomer","Journal of the American Chemical Society","2005","127","","2999","3003","10.1021/ja0451160","","x-ray","0.71073","MoKα","","0.0582","0.0378","","","0.0975","0.1082","","","","","","1.033","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111497","9.877","0.003","11.162","0.004","12.536","0.005","87.32","0.02","70.98","0.02","74.77","0.02","1259.6","0.8","117.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H56 Fe Mn2 N11 O8 -","- C50 H36 Fe Mn2 N11 O8 -","- C50 H36 Fe Mn2 N11 O8 -","1","0.5","","Marilena Ferbinteanu; Hitoshi Miyasaka; Wolfgang Wernsdorfer; Kazuya Nakata; Ken-ichi Sugiura; Masahiro Yamashita; Claude Coulon; Rodolphe Clérac","Single-Chain Magnet (NEt4)[Mn2(5-MeOsalen)2Fe(CN)6] Made of MnIII-FeIII-MnIII Trinuclear Single-Molecule Magnet with an ST=9/2 Spin Ground State","Journal of the American Chemical Society","2005","127","","3090","3099","10.1021/ja0468123","","","0.7107","MoKα","","","0.052","","","","0.148","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111498","13.4068","0.0003","17.5452","0.0003","17.0553","0.0003","90","","98.382","0.0011","90","","3968.98","0.13","150","","150","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Br0.159 Cl0.841 N2 Rh -","- C23 H26 Br0.159 Cl0.841 N2 Rh -","- C184 H208 Br1.272 Cl6.728 N16 Rh8 -","8","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.0498","0.0285","","0.0523","0.0314","0.0314","","","","","","1.1101","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111499","7.1357","0.0002","18.8754","0.0003","16.0479","0.0003","90","","101.059","0.0006","90","","2121.34","0.08","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl N2 Rh -","- C26 H26 Cl N2 Rh -","- C104 H104 Cl4 N8 Rh4 -","4","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.0341","0.0248","","0.0367","0.0266","0.0266","","","","","","1.1041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111500","11.2109","0.0002","29.7099","0.0003","13.0667","0.0002","90","","112.993","0.0004","90","","4006.43","0.1","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 Cl2 F6 N4 P Rh -","- C45 H42 Cl2 F6 N4 P Rh -","- C180 H168 Cl8 F24 N16 P4 Rh4 -","4","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.0511","0.0327","","0.0536","0.037","0.037","","","","","","1.1065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111501","12.0824","0.0002","21.391","0.0002","34.5673","0.0005","90","","90","","90","","8934.1","0.2","150","","150","","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C44 H52 Cl4 F6 N4 P Rh -","- C44 H52 Cl4 F6 N4 P Rh -","- C352 H416 Cl32 F48 N32 P8 Rh8 -","8","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.1039","0.0513","","0.0961","0.059","0.059","","","","","","1.1105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111502","16.2854","0.0002","12.0729","0.0002","16.4613","0.0003","90","","109.007","0.0005","90","","3060.03","0.08","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 F6 N4 P Rh -","- C30 H40 F6 N4 P Rh -","- C120 H160 F24 N16 P4 Rh4 -","4","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.0332","0.024","","0.0344","0.0275","0.0275","","","","","","1.0679","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111503","10.8871","0.0012","15.1353","0.0017","16.6062","0.0018","87.413","0.005","89.292","0.005","76.47","0.005","2657.7","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32.5 Cl N2 O0.25 Rh -","- C30 H32.5 Cl N2 O0.25 Rh -","- C120 H130 Cl4 N8 O Rh4 -","4","2","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.065","0.0354","","","0.0874","0.0949","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111504","27.9984","0.0009","9.7494","0.0003","28.6619","0.0009","90","","96.636","0.002","90","","7771.4","0.4","100","2","100","2","","","","","","","synthesized","5","C 1 c 1","C -2yc","9","","","","- C80 H68 Cl12 N6 O6 -","- C80 H68 Cl12 N6 O6 -","- C320 H272 Cl48 N24 O24 -","4","1","","Easwaran Arunkumar; Christopher C. Forbes; Bruce C. Noll; Bradley D. Smith","Squaraine-Derived Rotaxanes: Sterically Protected Fluorescent Near-IR Dyes","Journal of the American Chemical Society","2005","127","","3288","3289","10.1021/ja042404n","","x-ray","0.71073","MoKα","","0.0909","0.0651","","","0.1589","0.1894","","","","","","1.056","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111505","9.7987","0.0001","10.9613","0.0002","14.49","0.0002","86.839","0.001","78.258","0.001","77.305","0.001","1486.41","0.04","100","2","100","2","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C74 H66 N8 O8 -","- C74 H66 N8 O8 -","- C74 H66 N8 O8 -","1","0.5","","Easwaran Arunkumar; Christopher C. Forbes; Bruce C. Noll; Bradley D. Smith","Squaraine-Derived Rotaxanes: Sterically Protected Fluorescent Near-IR Dyes","Journal of the American Chemical Society","2005","127","","3288","3289","10.1021/ja042404n","","x-ray","0.71073","MoKα","","0.0559","0.0438","","","0.1097","0.1188","","","","","","1.027","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111506","9.7775","0.0008","12.1721","0.001","14.8995","0.0012","90","","104.724","0.001","90","","1715","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 B2 Cl2 Hf N2 -","- C14 H20 B2 Cl2 Hf N2 -","- C56 H80 B8 Cl8 Hf4 N8 -","4","1","","Holger Braunschweig; Manuela Gross; Mario Kraft; Marc O. Kristen; Dirk Leusser","[2]Borametallocenophanes of Zr and Hf: Synthesis, Structure, and Polymerization Activity","Journal of the American Chemical Society","2005","127","","3282","3283","10.1021/ja042408s","","","0.71073","MoKα","","0.0234","0.0202","","","0.0506","0.0518","","","","","","1.071","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111507","9.4999","0.0005","12.044","0.0006","19.6947","0.0009","90","","90","","90","","2253.4","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H37 N3 O5 -","- C23 H37 N3 O5 -","- C92 H148 N12 O20 -","4","1","","Zachary D. Aron; Larry E. Overman","Total Synthesis and Properties of the Crambescidin Core Zwitterionic Acid and Crambescidin 359","Journal of the American Chemical Society","2005","127","","3380","3390","10.1021/ja042875+","","","0.71073","MoKα","","0.062","0.0376","","","0.0744","0.0852","","","","","","1.06","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111508","10.2573","0.0005","11.709","0.0006","13.3613","0.0007","106.38","0.001","102.221","0.001","103.372","0.001","1430.43","0.13","396","2","396","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H76 F12 N8 O4 P2 Rh2 -","- C48 H76 F12 N8 O4 P2 Rh2 -","- C48 H76 F12 N8 O4 P2 Rh2 -","1","0.5","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0415","0.0369","","","0.0852","0.0868","","","","","","1.129","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111509","10.2547","0.0011","11.7363","0.0012","13.3823","0.0014","106.793","0.002","101.576","0.002","103.503","0.002","1435.7","0.3","396","2","396","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H38 F6 Ir N4 O2 P -","- C24 H38 F6 Ir N4 O2 P -","- C48 H76 F12 Ir2 N8 O4 P2 -","2","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0331","0.0294","","","0.0721","0.0733","","","","","","1.031","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111510","16.3166","0.001","9.4045","0.0006","22.7153","0.0014","90","","100.553","0.001","90","","3426.7","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H52 Cl Ir N4 -","- C34 H52 Cl Ir N4 -","- C136 H208 Cl4 Ir4 N16 -","4","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0298","0.0283","","","0.0605","0.061","","","","","","1.162","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111511","17.8355","0.0009","16.9486","0.0009","19.1715","0.001","90","","90","","90","","5795.3","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H38 Cl Ir N4 -","- C28 H44 Cl Ir N4 -","- C224 H352 Cl8 Ir8 N32 -","8","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0789","0.0707","","","0.1219","0.1247","","","","","","1.24","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111512","15.594","0.004","21.124","0.007","10.373","0.003","90","","128.63","0.009","90","","2669.3","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 F6 Ir N4 P -","- C22 H38 F6 Ir N4 P -","- C88 H152 F24 Ir4 N16 P4 -","4","0.5","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0557","0.0468","","","0.1164","0.1201","","","","","","1.043","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111513","9.3984","0.0012","18.023","0.002","17.557","0.002","90","","101.315","0.002","90","","2916.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Cl3 N4 O Rh -","- C24 H40 Cl3 N4 O Rh -","- C96 H160 Cl12 N16 O4 Rh4 -","4","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0941","0.0765","","","0.1611","0.1683","","","","","","1.146","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111514","13.9687","0.0007","16.8897","0.0008","15.5745","0.0008","90","","108.734","0.001","90","","3479.8","0.3","396","2","396","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 Cl Ir N4 O -","- C35 H50 Cl Ir N4 O -","- C140 H200 Cl4 Ir4 N16 O4 -","4","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0448","0.0407","","","0.0976","0.0997","","","","","","1.119","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111515","12.965","0.002","7.62","0.002","12.498","0.001","90","","100.246","0.01","90","","1215","0.4","298.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H22 S2 -","- C36 H22 S2 -","- C72 H44 S4 -","2","1","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.0397","","","","0.1385","","","","","","0.882","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111516","7.3528","0.0001","8.1884","0.0001","28.6857","0.0005","90","","90","","90","","1727.1","0.04","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H14 S2 -","- C24 H14 S2 -","- C96 H56 S8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.065","","","","0.1821","","","","","","1.487","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111517","7.264","0.003","8.432","0.002","36.215","0.007","90","","90","","90","","2218.2","1.1","298.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H18 S2 -","- C32 H18 S2 -","- C128 H72 S8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.0405","","","","0.1539","","","","","","0.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111518","24.1162","0.0003","24.1162","0.0003","24.1162","0.0003","90","","90","","90","","14025.8","0.3","293","2","293","2","","","","","","","","2","I a -3 d","-I 4bd 2c 3","230","","","","- Rb2 Sn11 -","- Rb2 Sn10.9892 -","- Rb64 Sn351.653 -","32","0.333333","","Franck Dubois; Thomas F. Fässler","Ordering of Vacancies in Type-I Tin Clathrate: Superstructure of Rb8Sn44 2","Journal of the American Chemical Society","2005","127","","3264","3265","10.1021/ja043500r","","x-ray","0.71073","MoKα","","0.0406","0.0329","","","0.0809","0.0849","","","","","","1.154","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111519","20.214","0.003","20.214","0.003","18.353","0.004","90","","90","","120","","6494","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ga13 H72 N15 O99 -","- Ga13 H72 N15 O97.62 -","- Ga39 H216 N45 O292.86 -","3","0.166667","","Elisabeth Rather; Jason T. Gatlin; Paul G. Nixon; Takuji Tsukamoto; Victor Kravtsov; Darren W. Johnson","A Simple Organic Reaction Mediates the Crystallization of the Inorganic Nanocluster [Ga13(μ3-OH)6(μ2-OH)18(H2O)24](NO3)15","Journal of the American Chemical Society","2005","127","","3242","3243","10.1021/ja043520t","","","0.71073","MoKα","","0.0349","0.031","","","0.0969","0.0988","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111520","9.036","0.003","9.763","0.004","33.17","0.06","90","","91.4","0.06","90","","2925","6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Al N2 O -","- C30 H45 Al N2 O -","- C120 H180 Al4 N8 O4 -","4","1","","Guangcai Bai; Sanjay Singh; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Mononuclear Aluminum Hydroxide for the Design of Well-Defined Homogeneous Catalysts","Journal of the American Chemical Society","2005","127","","3449","3455","10.1021/ja043585w","","","0.71073","MoKα","","0.0846","0.0755","","","0.2231","0.2303","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111521","9.968","0.005","10.314","0.008","19.684","0.016","87.99","0.07","87.06","0.04","68.49","0.05","1880","2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H57 Al N2 O Zr -","- C41 H57 Al N2 O Zr -","- C82 H114 Al2 N4 O2 Zr2 -","2","1","","Guangcai Bai; Sanjay Singh; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Mononuclear Aluminum Hydroxide for the Design of Well-Defined Homogeneous Catalysts","Journal of the American Chemical Society","2005","127","","3449","3455","10.1021/ja043585w","","","0.71073","MoKα","","0.0446","0.043","","","0.1153","0.1171","","","","","","1.093","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111522","18.375","0.002","20.171","0.004","10.0747","0.0009","90","","90","","90","","3734.1","0.9","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H54 Al Cl N2 O Zr -","- C40 H54 Al Cl N2 O Zr -","- C160 H216 Al4 Cl4 N8 O4 Zr4 -","4","0.5","","Guangcai Bai; Sanjay Singh; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Mononuclear Aluminum Hydroxide for the Design of Well-Defined Homogeneous Catalysts","Journal of the American Chemical Society","2005","127","","3449","3455","10.1021/ja043585w","","","0.71073","MoKα","","0.0404","0.0364","","","0.0945","0.0987","","","","","","1.061","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111523","12.356","0.0008","13.855","0.0009","14.4095","0.0009","92.114","0.001","106.369","0.001","99.122","0.001","2328.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 Er3 I3 O8 S3 -","- C32 H64 Er3 I3 O8 S3 -","- C64 H128 Er6 I6 O16 S6 -","2","1","","Anna Kornienko; Thomas J. Emge; G. Ajith Kumar; Richard E. Riman; John G. Brennan","Lanthanide Clusters with Internal Ln Ions: Highly Emissive Molecules with Solid-State Cores","Journal of the American Chemical Society","2005","127","","3501","3505","10.1021/ja043655z","","","0.71073","MoKα","","0.0504","0.039","","","0.0927","0.0963","","","","","","1.02","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111524","27.688","0.006","18.146","0.004","23.794","0.005","90","","106.39","0.004","90","","11469","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H136 Er10 I6 O17 S6 Se12 -","- C68 H136 Er10 I6 O17 S6 Se12 -","- C272 H544 Er40 I24 O68 S24 Se48 -","4","0.5","","Anna Kornienko; Thomas J. Emge; G. Ajith Kumar; Richard E. Riman; John G. Brennan","Lanthanide Clusters with Internal Ln Ions: Highly Emissive Molecules with Solid-State Cores","Journal of the American Chemical Society","2005","127","","3501","3505","10.1021/ja043655z","","","0.71073","MoKα","","0.1205","0.0615","","","0.1274","0.1454","","","","","","0.924","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111525","6.4935","0.0009","15.047","0.002","10.7907","0.0015","90","","97.773","0.002","90","","1044.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0403","0.0395","","","0.1037","0.1046","","","","","","1.07","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111526","6.646","0.004","15.42","0.008","11.019","0.006","90","","97.734","0.008","90","","1119","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H26.726 N2 O3 -","- C46 H53.452 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.066","0.0622","","","0.1493","0.1514","","","","","","1.115","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111527","6.4713","0.0005","14.9511","0.0012","10.7063","0.0009","90","","98.223","0.001","90","","1025.22","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0599","0.0569","","","0.1359","0.1373","","","","","","1.168","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111528","6.4628","0.0006","14.9255","0.0013","10.6919","0.0009","90","","98.389","0.001","90","","1020.31","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((R)-3-hydroxy-1-isopropyl-2,2-dimethyl-4-oxoazetidin-3-yl)- N-((R)-1-phenylethyl)benzamide","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0401","0.0385","","","0.0962","0.0975","","","","","","1.056","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111529","8.5684","0.0011","12.8865","0.0017","9.826","0.0013","90","","107.977","0.002","90","","1032","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((R)-3-hydroxy-1-isopropyl-2,2-dimethyl-4-oxoazetidin-3- yl)-N-((R)-1-phenylethyl)benzamide","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0409","0.0378","","","0.0926","0.0948","","","","","","1.041","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111530","6.4651","0.0006","15.1371","0.0014","19.9694","0.0019","90","","90","","90","","1954.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-diisopropylaminooxalyl-N-((R)-1,2-dimethylpropyl)benzamide","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C80 H120 N8 O12 -","4","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0735","0.0506","","","0.1009","0.1105","","","","","","1.025","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111531","11.8848","0.0008","7.8596","0.0005","12.7623","0.0008","90","","93.206","0.001","90","","1190.26","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C50 H60 N4 O12 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.1063","0.0638","","","0.1123","0.1285","","","","","","1.012","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111532","6.1593","0.0008","13.058","0.0018","35.785","0.005","90","","90","","90","","2878.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N2 O5 -","- C31 H38 N2 O5 -","- C124 H152 N8 O20 -","4","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0773","0.0668","","","0.1531","0.1606","","","","","","1.11","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111533","6.4769","0.0007","14.9477","0.0017","14.0075","0.0016","90","","96.317","0.002","90","","1347.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-diisopropylaminooxalyl-N-(2-(R)-hydroxy-1-(S)-methyl- 2-phenylethyl)-N-methylbenzamide benzene solvate","","- C31 H38 N2 O4 -","- C31 H38 N2 O4 -","- C62 H76 N4 O8 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.089","0.0716","","","0.161","0.1714","","","","","","1.066","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111534","6.3813","0.0006","15.2049","0.0015","10.8317","0.0011","90","","96.753","0.002","90","","1043.68","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C46 H56 N4 O8 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.04","0.0366","","","0.0856","0.0873","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111535","10.1332","0.0018","10.5785","0.0019","21.19","0.004","90","","90","","90","","2271.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O3 -","- C27 H30 N2 O3 -","- C108 H120 N8 O12 -","4","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0522","0.0414","","","0.0876","0.0924","","","","","","1.03","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111536","6.5053","0.0008","15.0545","0.0018","10.7789","0.0013","90","","97.924","0.002","90","","1045.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H27 N2 O3 -","- C46 H54 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.1092","0.1065","","","0.2203","0.2217","","","","","","1.161","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111537","6.8733","0.0006","20.861","0.002","15.768","0.001","90","","100.306","0.003","90","","2224.4","0.3","173.2","","173.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","2","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.7107","MoKα","","0.1039","0.041","","0.1222","","0.1222","","","0.82","","","0.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111538","7.4477","0.0003","9.811","0.0004","16.6491","0.0007","90","","101.995","0.001","90","","1189.98","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C50 H60 N4 O10 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0578","0.0497","","","0.1204","0.1255","","","","","","1.055","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111539","12.0301","0.0019","9.5538","0.0015","31.063","0.005","90","","97.558","0.003","90","","3539.2","1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H52 B N3 -","- C39 H52 B N3 -","- C156 H208 B4 N12 -","4","1","","Xavier Cattoën; Karinne Miqueu; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Evidence for Radical Fragmentations from Persistent Singlet Carbenes","Journal of the American Chemical Society","2005","127","","3292","3293","10.1021/ja050028g","","","0.71073","MoKα","","0.0629","0.048","","","0.1056","0.1122","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111540","11.795","0.003","12.267","0.003","16.109","0.004","90","","105.034","0.005","90","","2251","1","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 N4 -","- C20 H42 N4 -","- C80 H168 N16 -","4","1","","Xavier Cattoën; Karinne Miqueu; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Evidence for Radical Fragmentations from Persistent Singlet Carbenes","Journal of the American Chemical Society","2005","127","","3292","3293","10.1021/ja050028g","","","0.71073","MoKα","","0.0983","0.0521","","","0.1164","0.1353","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111541","32.132","0.003","21.368","0.002","23.512","0.002","90","","105.523","0.002","90","","15554","2","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H82 O4 Si2 Sm2 -","- C50 H82 O4 Si2 Sm2 -","- C600 H984 O48 Si24 Sm24 -","12","1.5","","William J. Evans; Jeremy M. Perotti; Joseph W. Ziller","Synthetic Utility of [(C5Me5)2Ln][(μ-Ph)2BPh2] in Accessing [(C5Me5)2LnR]x Unsolvated Alkyl Lanthanide Metallocenes, Complexes with High C-H Activation Reactivity","Journal of the American Chemical Society","2005","127","","3894","3909","10.1021/ja045064e","","","0.71073","MoKα","","0.0574","0.0301","","","0.0646","0.0776","","","","","","1.07","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111542","25.985","0.003","25.985","0.003","13.1692","0.0019","90","","90","","90","","8892.1","1.9","240","2","273","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C40 H52 Cl2 Mn2 N4 Ni2 O8 -","- C40 H52 Cl2 Mn2 N4 Ni2 O8 -","- C320 H416 Cl16 Mn16 N32 Ni16 O64 -","8","0.5","","Hiroki Oshio; Masayuki Nihei; Satoshi Koizumi; Takuya Shiga; Hiroyuki Nojiri; Motohiro Nakano; Naoki Shirakawa; Mitsuhiro Akatsu","A Heterometal Single-Molecule Magnet of [MnIII2NiII2Cl2(salpa)2]","Journal of the American Chemical Society","2005","127","","4568","4569","10.1021/ja042217p","","","0.71073","MoKα","","0.1108","0.0548","","","0.1428","0.1578","","","","","","0.987","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111543","45.826","0.007","19.147","0.003","22.955","0.003","90","","90","","90","","20141","5","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C75 H139 Cl2 Cu3 O8 P6 -","- C75 H139 Cl2 Cu3 O8 P6 -","- C600 H1112 Cl16 Cu24 O64 P48 -","8","0.5","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.1368","0.0671","","","0.1729","0.2012","","","","","","0.898","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111544","25.802","0.005","15.758","0.003","22.786","0.005","90","","90","","90","","9265","3","301","2","301","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C75 H139 B2 Cu3 F8 P6 -","- C75 H139 B2 Cu3 F8 P6 -","- C300 H556 B8 Cu12 F32 P24 -","4","1","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.0951","0.0658","","","0.1767","0.1943","","","","","","0.986","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111545","45.837","0.009","19.17","0.004","22.935","0.005","90","","90","","90","","20153","7","301","2","301","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C75 H139 Cu3 F12 P8 -","- C75 H139 Cu3 F12 P8 -","- C600 H1112 Cu24 F96 P64 -","8","0.5","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.0745","0.0535","","","0.141","0.1597","","","","","","0.993","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111546","14.893","0.003","25.509","0.005","25.021","0.005","90","","94.5","0.03","90","","9476","3","301","2","301","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C79 H143 Cl4 Cu3 F6 O6 P6 S2 -","- C79 H143 Cl4 Cu3 F6 O6 P6 S2 -","- C316 H572 Cl16 Cu12 F24 O24 P24 S8 -","4","1","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.1005","0.0527","","","0.1419","0.1674","","","","","","0.93","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111547","24.707","0.005","13.807","0.003","35.5","0.007","90","","95.55","0.03","90","","12053","4","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 Cu2 F6 O3.5 P5 -","- C52 H93.5 Cu2 F6 O3.5 P5 -","- C416 H748 Cu16 F48 O28 P40 -","8","2","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.1134","0.0573","","","0.1492","0.1738","","","","","","0.949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111548","24.1853","0.0007","10.3325","0.0003","14.445","0.0002","90","","110.375","0.002","90","","3383.88","0.15","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 F12 N4 O P2 -","- C35 H30 F12 N4 O P2 -","- C140 H120 F48 N16 O4 P8 -","4","0.5","","Benjamin J. Coe; James A. Harris; Lathe A. Jones; Bruce S. Brunschwig; Kai Song; Koen Clays; Javier Garín; Jesús Orduna; Simon J. Coles; Michael B. Hursthouse","Syntheses and Properties of Two-Dimensional Charged Nonlinear Optical Chromophores Incorporating Redox-Switchable cis-Tetraammineruthenium(II) Centers","Journal of the American Chemical Society","2005","127","","4845","4859","10.1021/ja0424124","","","0.71073","MoKα","","0.0528","0.0405","","","0.1044","0.1124","","","","","","1.035","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111549","19.534","0.0005","8.5747","0.0002","17.2984","0.0005","90","","109.896","0.002","90","","2724.51","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H45 B3 Ru2 -","- C28 H45 B3 Ru2 -","- C112 H180 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0409","0.0308","","","0.0736","0.0792","","","","","","1.021","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111550","8.5992","0.0004","17.5873","0.0007","18.796","0.0008","90","","90","","90","","2842.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 B3 Ru2 -","- C28 H42 B3 Ru2 -","- C112 H168 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0503","0.042","","","0.1057","0.1115","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111551","11.6019","0.0001","26.6818","0.0003","11.7353","0.0001","90","","114.628","0.001","90","","3302.31","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 B3 Ru2 -","- C36 H51 B3 Ru2 -","- C144 H204 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0451","0.0283","","","0.0567","0.0601","","","","","","1.044","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111552","23.5289","0.0014","8.3396","0.0004","13.4889","0.0007","90","","90","","90","","2646.8","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H42 B2 Ru2 -","- C28 H41 B2 Ru2 -","- C112 H164 B8 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0604","0.0497","","","0.1123","0.1172","","","","","","1.037","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111553","17.2749","0.0002","11.4652","0.0001","17.4982","0.0002","90","","106.88","0.001","90","","3316.38","0.06","100","2","100","2","","","","","","","synthesized","4","P 1 c 1","P -2yc","7","","","","- C36 H50 B2 Ru2 -","- C36 H50 B2 Ru2 -","- C144 H200 B8 Ru8 -","4","2","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0344","0.0282","","","0.058","0.0595","","","","","","0.994","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111554","16.8511","0.0003","10.4446","0.0002","22.1732","0.0004","90","","110.362","0.001","90","","3658.69","0.12","100","2","100","2","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 B2 Ru2 -","- C39 H57 B2 Ru2 -","- C156 H228 B8 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0576","0.0339","","","0.0652","0.0707","","","","","","1.03","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111555","38.6467","0.0005","13.3927","0.0002","12.5144","0.0001","90","","90","","90","","6477.25","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H48 B2 Ru2 -","- C36 H48 B2 Ru2 -","- C288 H384 B16 Ru16 -","8","2","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0281","0.0241","","","0.0528","0.0536","","","","","","1.048","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111556","9.002","0.0002","9.8968","0.0002","16.2319","0.0004","101.611","0.002","94.952","0.002","103.013","0.002","1366.95","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 B2 Ru2 -","- C28 H40 B2 Ru2 -","- C56 H80 B4 Ru4 -","2","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0437","0.0335","","","0.0836","0.0922","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111557","11.5001","0.0001","17.6615","0.0002","19.6416","0.0003","90","","91.619","0.001","90","","3987.79","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 B3 Ru2 -","- C44 H57 B3 Ru2 -","- C176 H228 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0453","0.0324","","","0.0818","0.086","","","","","","1.052","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111558","12.2288","0.0011","13.9949","0.0013","15.4425","0.0014","96.77","0.002","94.38","0.002","113.116","0.002","2391.8","0.4","194","2","194","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H70 O4 P2 Pd -","- C52 H70 O4 P2 Pd -","- C104 H140 O8 P4 Pd2 -","2","1","","Timothy E. Barder; Shawn D. Walker; Joseph R. Martinelli; Stephen L. Buchwald","Catalysts for Suzuki-Miyaura Coupling Processes: Scope and Studies of the Effect of Ligand Structure","Journal of the American Chemical Society","2005","127","","4685","4696","10.1021/ja042491j","","","0.71073","MoKα","","0.0501","0.035","","","0.0764","0.0818","","","","","","1.035","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111559","9.9866","0.0016","12.598","0.002","23.797","0.004","90","","99.089","0.003","90","","2956.3","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl8 O4 P2 Pd -","- C54 H72 Cl8 O4 P2 Pd -","- C108 H144 Cl16 O8 P4 Pd2 -","2","0.5","","Timothy E. Barder; Shawn D. Walker; Joseph R. Martinelli; Stephen L. Buchwald","Catalysts for Suzuki-Miyaura Coupling Processes: Scope and Studies of the Effect of Ligand Structure","Journal of the American Chemical Society","2005","127","","4685","4696","10.1021/ja042491j","","","0.71073","MoKα","","0.0278","0.0246","","","0.0594","0.0607","","","","","","1.05","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111560","11.4552","0.0015","11.6697","0.0015","15.5298","0.0019","94.058","0.002","96.084","0.002","114.705","0.002","1860.1","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H49 O3 P Pd -","- C43 H49 O3 P Pd -","- C86 H98 O6 P2 Pd2 -","2","1","","Timothy E. Barder; Shawn D. Walker; Joseph R. Martinelli; Stephen L. Buchwald","Catalysts for Suzuki-Miyaura Coupling Processes: Scope and Studies of the Effect of Ligand Structure","Journal of the American Chemical Society","2005","127","","4685","4696","10.1021/ja042491j","","","0.71073","MoKα","","0.033","0.0286","","","0.0676","0.0695","","","","","","1.052","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111561","5.005","0.003","5.366","0.003","23.115","0.014","93.744","0.008","90.752","0.008","112.698","0.007","571","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","8-4-8 dicarbamate","1,4-bis-(N-octyl-carbamoyloxy)-butane","","- C22 H44 N2 O4 -","- C22 H44 N2 O4 -","- C22 H44 N2 O4 -","1","0.5","","Kibum Kim; Katherine E. Plass; Adam J. Matzger","Structure of and Competitive Adsorption in Alkyl Dicarbamate Two-Dimensional Crystals","Journal of the American Chemical Society","2005","127","","4879","4887","10.1021/ja043028+","","x-ray","0.71073","MoKα","","0.1903","0.0928","","","0.2403","0.2778","","","","","","1.048","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111562","5.048","0.004","10.359","0.009","23.59","0.02","84.402","0.014","88.068","0.014","83.793","0.014","1220.2","1.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","8-5-8 dicarbamate","1,5-Bis-(N-octyl-carbamoyloxy)-pentane","","- C23 H46 N2 O4 -","- C23 H46 N2 O4 -","- C46 H92 N4 O8 -","2","1","","Kibum Kim; Katherine E. Plass; Adam J. Matzger","Structure of and Competitive Adsorption in Alkyl Dicarbamate Two-Dimensional Crystals","Journal of the American Chemical Society","2005","127","","4879","4887","10.1021/ja043028+","","x-ray","0.71073","MoKα","","0.2346","0.1554","","","0.4002","0.4349","","","","","","1.307","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111563","20.4824","0.0013","11.6675","0.0007","19.2151","0.0012","90","","102.472","0.001","90","","4483.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Fe N6 Na2 O4 -","- C46 H58 Fe N6 Na2 O4 -","- C184 H232 Fe4 N24 Na8 O16 -","4","1","","Julien Bachmann; Daniel G. Nocera","Multielectron Redox Chemistry of Iron Porphyrinogens","Journal of the American Chemical Society","2005","127","","4730","4743","10.1021/ja043132r","","","0.71073","MoKα","","0.0419","0.0345","","","0.084","0.0876","","","","","","1.064","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111564","23.443","0.002","25.146","0.003","13.2883","0.0013","90","","90","","90","","7833.4","1.4","100","2","100","2","","","","","","","","7","A b m 2","A 2 -2b","39","","","","- C54 H93 B36 Cl4 Co2 Fe N7 -","- C54 H93 B36 Cl4 Co2 Fe N7 -","- C216 H372 B144 Cl16 Co8 Fe4 N28 -","4","","","Julien Bachmann; Daniel G. Nocera","Multielectron Redox Chemistry of Iron Porphyrinogens","Journal of the American Chemical Society","2005","127","","4730","4743","10.1021/ja043132r","","","0.71073","MoKα","","0.0556","0.0533","","","0.1385","0.1411","","","","","","1.112","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111565","15.5367","0.0012","21.1012","0.0016","25.2473","0.0019","90","","90","","90","","8277.2","1.1","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H60 Fe N4 Na O6 -","- C40 H60 Fe N4 Na O6 -","- C320 H480 Fe8 N32 Na8 O48 -","8","1","","Julien Bachmann; Daniel G. Nocera","Multielectron Redox Chemistry of Iron Porphyrinogens","Journal of the American Chemical Society","2005","127","","4730","4743","10.1021/ja043132r","","","0.71073","MoKα","","0.0962","0.0962","","","0.1867","0.1867","","","","","","1.479","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111566","10.6459","0.0004","10.6459","0.0004","10.6459","0.0004","90","","90","","90","","1206.56","0.08","293","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C16.86 H32 Cr2.81 Fe4 K0.45 N16.86 O16 -","- C16.8 Cr2.8 Fe4 K0.48 N16.8 O15.84 -","- C16.8 Cr2.8 Fe4 K0.48 N16.8 O15.84 -","1","0.00520833","","Eugenio Coronado; Mari Carmen Giménez-López; Georgiy Levchenko; Francisco M. Romero; Valentín García-Baonza; Alla Milner; Moshe Paz-Pasternak","Pressure-Tuning of Magnetism and Linkage Isomerism in Iron(II) Hexacyanochromate","Journal of the American Chemical Society","2005","127","","4580","4581","10.1021/ja043166z","","","0.71073","MoKα","","0.0628","0.0499","","","0.1154","0.1211","","","","","","1.326","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111567","20.648","0.005","15.547","0.004","16.395","0.005","90","","90","","90","","5263","2","90","2","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","(Dipp*Tl)2","","","- C60 H74 Tl2 -","- C60 H74 Tl2 -","- C240 H296 Tl8 -","4","0.5","","Robert J. Wright; Andrew D. Phillips; Shirley Hino; Philip P. Power","Synthesis and Reactivity of Dimeric Ar'TlTlAr' and Trimeric (Ar''Tl)3 (Ar', Ar'' = Bulky Terphenyl Group) Thallium(I) Derivatives: Tl(I)-Tl(I) Bonding in Species Ligated by Monodentate Ligands","Journal of the American Chemical Society","2005","127","","4794","4799","10.1021/ja0432259","","","","","","0.0599","0.0492","","","0.1105","0.1178","","","","","","1.051","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111568","13.0842","0.0007","23.2719","0.0013","16.1097","0.0009","90","","94.782","0.003","90","","4888.2","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dipp*TlB(C6F5)3","","","- C55 H45 B F15 Tl -","- C55 H45 B F15 Tl -","- C220 H180 B4 F60 Tl4 -","4","1","","Robert J. Wright; Andrew D. Phillips; Shirley Hino; Philip P. Power","Synthesis and Reactivity of Dimeric Ar'TlTlAr' and Trimeric (Ar''Tl)3 (Ar', Ar'' = Bulky Terphenyl Group) Thallium(I) Derivatives: Tl(I)-Tl(I) Bonding in Species Ligated by Monodentate Ligands","Journal of the American Chemical Society","2005","127","","4794","4799","10.1021/ja0432259","","","0.71073","MoKα","","0.0307","0.0222","","","0.0519","0.0548","","","","","","1.005","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111569","21.2335","0.0014","14.0989","0.001","20.1848","0.0013","90","","117.601","0.003","90","","5355","0.6","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(DmpTl)3","","","- C66 H63 Tl3 -","- C66 H63 Tl3 -","- C264 H252 Tl12 -","4","1","","Robert J. Wright; Andrew D. Phillips; Shirley Hino; Philip P. Power","Synthesis and Reactivity of Dimeric Ar'TlTlAr' and Trimeric (Ar''Tl)3 (Ar', Ar'' = Bulky Terphenyl Group) Thallium(I) Derivatives: Tl(I)-Tl(I) Bonding in Species Ligated by Monodentate Ligands","Journal of the American Chemical Society","2005","127","","4794","4799","10.1021/ja0432259","","","0.71073","MoKα","","0.0277","0.0222","","","0.0486","0.0502","","","","","","1.071","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111570","29.26","0.005","20.671","0.005","40.344","0.008","90","","90","","90","","24401","9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C82 H184 O48 Ti16 -","- C82 H184 O48 Ti16 -","- C656 H1472 O384 Ti128 -","8","1","","Giulia Fornasieri; Laurence Rozes; Stéphanie Le Calvé; Bruno Alonso; Dominique Massiot; Marie Noëlle Rager; Michel Evain; Kamal Boubekeur; Clément Sanchez","Reactivity of Titanium Oxo Ethoxo Cluster [Ti16O16(OEt)32]. Versatile Precursor of Nanobuilding Block-Based Hybrid Materials","Journal of the American Chemical Society","2005","127","","4869","4878","10.1021/ja043330i","","","0.71073","MoKα","","0.1223","0.0656","","","0.1042","0.1114","","","","","","0.978","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111571","29.765","0.01","21.014","0.016","40.2","0.02","90","","90","","90","","25144","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C86 H192 O48 Ti16 -","- C85.999 H74 O48 Ti16 -","- C687.992 H592 O384 Ti128 -","8","1","","Giulia Fornasieri; Laurence Rozes; Stéphanie Le Calvé; Bruno Alonso; Dominique Massiot; Marie Noëlle Rager; Michel Evain; Kamal Boubekeur; Clément Sanchez","Reactivity of Titanium Oxo Ethoxo Cluster [Ti16O16(OEt)32]. Versatile Precursor of Nanobuilding Block-Based Hybrid Materials","Journal of the American Chemical Society","2005","127","","4869","4878","10.1021/ja043330i","","","0.71069","MoKα","","0.1268","0.0684","","","0.1584","0.1749","","","","1.9","1.9","1.61","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111572","14.6284","0.0011","14.136","0.0011","15.2538","0.0012","90","","90","","90","","3154.3","0.4","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Co(depa)Cl2","","","- C14 H17 Cl2 Co N3 -","- C14 H17 Cl2 Co N3 -","- C112 H136 Cl16 Co8 N24 -","8","1","","John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang","Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments","Journal of the American Chemical Society","2005","127","","4895","4902","10.1021/ja044185b","","","0.71073","MoKα","","0.0328","0.0264","","","0.0694","0.075","","","","","","1.034","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111573","10.3578","0.0006","10.6941","0.0006","20.4826","0.0012","85.299","0.001","85.028","0.001","84.421","0.001","2243.4","0.2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","Co3(depa)3Cl3","","","- C42 H48 Cl3 Co3 N9 -","- C42 H48 Cl3 Co3 N9 -","- C84 H96 Cl6 Co6 N18 -","2","1","","John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang","Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments","Journal of the American Chemical Society","2005","127","","4895","4902","10.1021/ja044185b","","","0.71073","MoKα","","0.0432","0.0345","","","0.092","0.0979","","","","","","1.037","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111574","13.3078","0.0007","31.0865","0.0017","15.9772","0.0008","90","","93.301","0.001","90","","6598.7","0.6","213","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H104 Co4 O16 -","- C52 H104 Co4 O16 -","- C208 H416 Co16 O64 -","4","1","","John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang","Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments","Journal of the American Chemical Society","2005","127","","4895","4902","10.1021/ja044185b","","","0.71073","MoKα","","0.0674","0.042","","","0.089","0.1015","","","","","","1.031","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111575","70.377","0.014","17.181","0.003","42.159","0.008","90","","99.9","0.03","90","","50217","17","15","2","15","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C135 H174 N52.88 O53.75 Pd6 -","- C135 H174 N52.95 O53.75 Pd6 -","- C1080 H1392 N423.6 O430 Pd48 -","8","1","","Shohei Tashiro; Masahide Tominaga; Masaki Kawano; Bruno Therrien; Tomoji Ozeki; Makoto Fujita","Sequence-Selective Recognition of Peptides within the Single Binding Pocket of a Self-Assembled Coordination Cage","Journal of the American Chemical Society","2005","127","","4546","4547","10.1021/ja044782y","","","0.689","synchrotron","","0.2242","0.1518","","","0.4191","0.4521","","","","","","1.378","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111576","15.5544","0.0004","5.5221","0.0001","16.3325","0.0005","90","","108.268","0.001","90","","1332.14","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0888","0.0484","","","0.1127","0.1406","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111577","15.5766","0.0003","5.5382","0.0001","16.3781","0.0005","90","","108.061","0.001","90","","1343.26","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0832","0.0484","","","0.115","0.1402","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111578","15.5907","0.0003","5.553","0.0001","16.4284","0.0004","90","","107.792","0.001","90","","1354.27","0.05","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0855","0.0483","","","0.115","0.1424","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111579","15.6361","0.0003","5.5774","0.0001","16.555","0.0005","90","","107.267","0.001","90","","1378.67","0.06","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.088","0.0513","","","0.1089","0.1442","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111580","12.9391","0.0003","3.8207","0.0001","25.7129","0.0006","90","","91.617","0.001","90","","1270.65","0.05","100","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0634","0.0387","","","0.0872","0.105","","","","","","1.087","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111581","12.9526","0.0003","3.8409","0.0001","25.7179","0.0007","90","","91.557","0.001","90","","1278.98","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0808","0.0417","","","0.0866","0.1109","","","","","","1.092","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111582","12.9684","0.0003","3.8649","0.0001","25.7294","0.0007","90","","91.476","0.001","90","","1289.17","0.06","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0897","0.0432","","","0.086","0.1128","","","","","","1.126","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111583","12.9932","0.0005","3.9181","0.0001","25.7473","0.0009","90","","91.307","0.002","90","","1310.42","0.08","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0681","0.0439","","","0.1009","0.1208","","","","","","1.081","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111584","7.6125","0.0001","7.9679","0.0001","24.2654","0.0005","90","","98.66","0.001","90","","1455.05","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0748","0.0465","","","0.1139","0.1362","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111585","7.6179","0.0001","7.9882","0.0001","24.3423","0.0006","90","","98.648","0.001","90","","1464.47","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0761","0.0448","","","0.104","0.1307","","","","","","1.068","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111586","7.6238","0.0001","8.0124","0.0001","24.4421","0.0005","90","","98.641","0.001","90","","1476.1","0.04","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0866","0.0447","","","0.0992","0.1331","","","","","","1.101","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111587","7.6328","0.0001","8.0545","0.0001","24.6916","0.0006","90","","98.64","0.001","90","","1500.77","0.05","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.1227","0.0505","","","0.1095","0.1591","","","","","","1.105","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111588","13.398","0.0005","17.3954","0.0005","20.4727","0.0006","90","","93.297","0.002","90","","4763.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H83 O3 Si3 Ta -","- C40 H71 O3 Si3 Ta -","- C160 H284 O12 Si12 Ta4 -","4","1","","Kurt F. Hirsekorn; Adam S. Veige; Michael P. Marshak; Yelena Koldobskaya; Peter T. Wolczanski; Thomas R. Cundari; Emil B. Lobkovsky","Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox =tBu3SiO; M = Nb, Ta)","Journal of the American Chemical Society","2005","127","","4809","4830","10.1021/ja046180k","","","0.71073","MoKα","","0.0524","0.0336","","","0.0741","0.0807","","","","","","1.072","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111589","13.115","0.007","20.965","0.008","17.257","0.006","90","","91.57","0.02","90","","4743","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H89 O3 Si3 Ta -","- C40 H89 O3 Si3 Ta -","- C160 H356 O12 Si12 Ta4 -","4","1","","Kurt F. Hirsekorn; Adam S. Veige; Michael P. Marshak; Yelena Koldobskaya; Peter T. Wolczanski; Thomas R. Cundari; Emil B. Lobkovsky","Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox =tBu3SiO; M = Nb, Ta)","Journal of the American Chemical Society","2005","127","","4809","4830","10.1021/ja046180k","","","0.71073","MoKα","","0.0608","0.0344","","","0.0755","0.0862","","","","","","1.008","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111590","24.8008","0.0008","17.4613","0.0005","45.1532","0.0018","90","","90","","90","","19553.8","1.1","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41 H91 Nb O3 Si3 -","- C42 H86.5 Nb O3 Si3 -","- C672 H1384 Nb16 O48 Si48 -","16","4","","Kurt F. Hirsekorn; Adam S. Veige; Michael P. Marshak; Yelena Koldobskaya; Peter T. Wolczanski; Thomas R. Cundari; Emil B. Lobkovsky","Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox =tBu3SiO; M = Nb, Ta)","Journal of the American Chemical Society","2005","127","","4809","4830","10.1021/ja046180k","","","0.71073","MoKα","","0.1053","0.088","","","0.2054","0.2182","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111591","20.1923","0.0004","20.1923","0.0004","6.9288","0.0002","90","","90","","120","","2446.58","0.1","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C12 H26 O4 Si -","- C12 H26 O4 Si -","- C72 H156 O24 Si6 -","6","1","","Jason C. Valentine; Frank E. McDonald; Wade A. Neiwert; Kenneth I. Hardcastle","Biomimetic Synthesis of trans,syn,trans-Fused Polyoxepanes: Remarkable Substituent Effects on the endo-Regioselective Oxacyclization of Polyepoxides","Journal of the American Chemical Society","2005","127","","4586","4587","10.1021/ja050013i","","","1.54178","CuKα","","0.0747","0.0557","","","0.1387","0.1496","","","","","","1.015","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111592","10.0172","0.0012","11.2383","0.0014","15.6235","0.0019","90","","90","","90","","1758.8","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O7 -","- C17 H26 O7 -","- C68 H104 O28 -","4","1","","Jason C. Valentine; Frank E. McDonald; Wade A. Neiwert; Kenneth I. Hardcastle","Biomimetic Synthesis of trans,syn,trans-Fused Polyoxepanes: Remarkable Substituent Effects on the endo-Regioselective Oxacyclization of Polyepoxides","Journal of the American Chemical Society","2005","127","","4586","4587","10.1021/ja050013i","","","1.54178","CuKα","","0.1061","0.0888","","","0.2214","0.2303","","","","","","1.065","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111593","10.2457","0.0008","12.9259","0.0011","12.9628","0.001","104.083","0.002","107.557","0.002","95.816","0.002","1559","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 Br2 N O6 -","- C35 H35 Br2 N O6 -","- C70 H70 Br4 N2 O12 -","2","1","","Yao Lei; Aaron D. Wrobleski; Jennifer E. Golden; Douglas R. Powell; Jeffrey Aubé","Facile C-N Cleavage in a Series of Bridged Lactams","Journal of the American Chemical Society","2005","127","","4552","4553","10.1021/ja050214m","","","0.71073","MoKα","","0.0532","0.0336","","","0.0752","0.0819","","","","","","0.907","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111594","6.878","0.002","9.85","0.003","15.468","0.005","79.468","0.006","85.295","0.007","77.715","0.006","1005.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Br N O3 -","- C21 H28 Br N O3 -","- C42 H56 Br2 N2 O6 -","2","1","","Yao Lei; Aaron D. Wrobleski; Jennifer E. Golden; Douglas R. Powell; Jeffrey Aubé","Facile C-N Cleavage in a Series of Bridged Lactams","Journal of the American Chemical Society","2005","127","","4552","4553","10.1021/ja050214m","","","0.71073","MoKα","","0.0802","0.0686","","","0.1709","0.1789","","","","","","1.023","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111595","18.01","0.004","10.186","0.002","18.01","0.004","90","","113.591","0.004","90","","3027.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C144 H160 Br8 N8 O8 -","8","2","","Yao Lei; Aaron D. Wrobleski; Jennifer E. Golden; Douglas R. Powell; Jeffrey Aubé","Facile C-N Cleavage in a Series of Bridged Lactams","Journal of the American Chemical Society","2005","127","","4552","4553","10.1021/ja050214m","","","0.71073","MoKα","","0.0455","0.0357","","","0.0761","0.0798","","","","","","1.005","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111596","11.224","0.005","14.411","0.005","12.659","0.005","90","0.005","103.275","0.005","90","0.005","1992.9","1.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H7 Al Cl2 F10 N2 -","- C17 H7 Al Cl2 F10 N2 -","- C68 H28 Al4 Cl8 F40 N8 -","4","1","","Dragoslav Vidovic; Jennifer A. Moore; Jamie N. Jones; Alan H. Cowley","Synthesis and Characterization of a Coordinated Oxoborane: Lewis Acid Stabilization of a Boron-Oxygen Double Bond","Journal of the American Chemical Society","2005","127","","4566","4567","10.1021/ja0507564","","","0.71069","MoKα","","0.2094","0.0778","","","0.159","0.2099","","","","","","1.054","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111597","25.588","0.005","15.086","0.003","7.1553","0.0014","90","","90","","90","","2762.1","0.9","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C23 H12 Al B Cl4 F10 N2 -","- C23 H12 Al B Cl4 F10 N2 -","- C92 H48 Al4 B4 Cl16 F40 N8 -","4","0.5","","Dragoslav Vidovic; Jennifer A. Moore; Jamie N. Jones; Alan H. Cowley","Synthesis and Characterization of a Coordinated Oxoborane: Lewis Acid Stabilization of a Boron-Oxygen Double Bond","Journal of the American Chemical Society","2005","127","","4566","4567","10.1021/ja0507564","","","0.71073","MoKα","","0.1843","0.079","","","0.1879","0.2443","","","","","","1.045","","","","has coordinates","189844","2020-10-21","18:00:00",""
"4111598","11.11","0.005","13.318","0.005","15.211","0.005","90","0.005","104.744","0.005","90","0.005","2176.6","1.5","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H7 Al B Cl3 F10 N2 O -","- C17 H7 Al B Cl3 F10 N2 O -","- C68 H28 Al4 B4 Cl12 F40 N8 O4 -","4","1","","Dragoslav Vidovic; Jennifer A. Moore; Jamie N. Jones; Alan H. Cowley","Synthesis and Characterization of a Coordinated Oxoborane: Lewis Acid Stabilization of a Boron-Oxygen Double Bond","Journal of the American Chemical Society","2005","127","","4566","4567","10.1021/ja0507564","","","0.71069","MoKα","","0.0392","0.0302","","","0.0749","0.0792","","","","","","1.065","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111599","9.6258","0.0016","7.7123","0.0013","16.2","0.003","90","","103.75","0.003","90","","1168.2","0.4","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 -","- C13 H13 Cl N2 -","- C52 H52 Cl4 N8 -","4","1","","Ken S. Feldman; Malliga R. Iyer","Allenyl Azide Cycloaddition Chemistry. Synthesis of Pyrrolidine-Containing Bicycles and Tricycles via the Possible Intermediacy of Azatrimethylenemethane Species","Journal of the American Chemical Society","2005","127","","4590","4591","10.1021/ja050757w","","","0.71073","MoKα","","0.0563","0.0503","","","0.1245","0.1277","","","","","","1.079","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111600","12.3997","0.0009","3.9144","0.0003","17.409","0.002","90","","107.882","0.006","90","","804.17","0.13","298","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Br2 N2 O4 -","- C18 H10 Br2 N2 O4 -","- C36 H20 Br4 N4 O8 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid","Journal of the American Chemical Society","2005","127","","5010","5011","10.1021/ja042212s","","","0.6868","synchrotron","","","0.041","","","","0.043","","","","","","5.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111601","12.439","0.002","3.8487","0.0007","16.956","0.003","90","","107.951","0.006","90","","772.2","0.2","305","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid","Journal of the American Chemical Society","2005","127","","5010","5011","10.1021/ja042212s","","","0.6868","synchrotron","","","0.055","","","","0.059","","","","","","5.346","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111602","12.364","0.001","3.922","0.0005","17.395","0.002","90","","107.828","0.004","90","","803.01","0.15","298","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Br2 N2 O4 -","- C18 H10 Br2 N2 O4 -","- C36 H20 Br4 N4 O8 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid","Journal of the American Chemical Society","2005","127","","5010","5011","10.1021/ja042212s","","","0.6868","synchrotron","","","0.046","","","","0.051","","","","","","4.76","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111603","12.399","0.002","3.8533","0.0007","16.957","0.002","90","","107.89","0.006","90","","771","0.2","298","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Cl2 N2 O3 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid","Journal of the American Chemical Society","2005","127","","5010","5011","10.1021/ja042212s","","","0.6868","synchrotron","","","0.048","","","","0.05","","","","","","4.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111604","25.767","0.01","28.493","0.017","19.631","0.007","90","","90","","90","","14413","11","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","zirconium","Zirconium amide O2 adduct","","- C20 H60 N10 O2 Zr3 -","- C20 H60 N10 O2 Zr3 -","- C320 H960 N160 O32 Zr48 -","16","1","","Ruitao Wang; Xin-Hao Zhang; Shu-Jian Chen; Xianghua Yu; Chang-Sheng Wang; David B. Beach; Yun-Dong Wu; Zi-Ling Xue","Reactions of d0 Group 4 Amides with Dioxygen. Preparation of Unusual Oxo Aminoxy Complexes and Theoretical Studies of Their Formation","Journal of the American Chemical Society","2005","127","","5204","5211","10.1021/ja042307u","","","0.71073","MoKα","","0.0292","0.0275","","","0.0883","0.0907","","","","","","0.855","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111605","25.632","0.006","28.495","0.01","19.577","0.004","90","","90","","90","","14299","7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","Hafnium","Hafnium amide O2 adduct","","- C20 H60 Hf3 N10 O2 -","- C20 H60 Hf3 N10 O2 -","- C320 H960 Hf48 N160 O32 -","16","1","","Ruitao Wang; Xin-Hao Zhang; Shu-Jian Chen; Xianghua Yu; Chang-Sheng Wang; David B. Beach; Yun-Dong Wu; Zi-Ling Xue","Reactions of d0 Group 4 Amides with Dioxygen. Preparation of Unusual Oxo Aminoxy Complexes and Theoretical Studies of Their Formation","Journal of the American Chemical Society","2005","127","","5204","5211","10.1021/ja042307u","","","0.71073","MoKα","","0.0318","0.0299","","","0.0837","0.0851","","","","","","1.08","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111606","10.457","0.0002","10.51","0.0002","12.418","0.0003","90","","114.221","0.0009","90","","1244.63","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 S2 Si2 -","- C28 H26 S2 Si2 -","- C56 H52 S4 Si4 -","2","0.5","","Marcia M. Payne; Sean R. Parkin; John E. Anthony; Chung-Chen Kuo; Thomas N. Jackson","Organic Field-Effect Transistors from Solution-Deposited Functionalized Acenes with Mobilities as High as 1 cm2/V.s","Journal of the American Chemical Society","2005","127","","4986","4987","10.1021/ja042353u","","","0.71073","MoKα","","0.0583","0.0373","","","0.0903","0.0978","","","","","","1.05","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111607","6.7318","0.0001","7.2511","0.0002","16.695","0.0004","98.1442","0.0011","94.5289","0.0011","103.918","0.001","777.59","0.03","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 S2 Si2 -","- C34 H38 S2 Si2 -","- C34 H38 S2 Si2 -","1","0.5","","Marcia M. Payne; Sean R. Parkin; John E. Anthony; Chung-Chen Kuo; Thomas N. Jackson","Organic Field-Effect Transistors from Solution-Deposited Functionalized Acenes with Mobilities as High as 1 cm2/V.s","Journal of the American Chemical Society","2005","127","","4986","4987","10.1021/ja042353u","","","0.71073","MoKα","","0.0502","0.0365","","","0.0913","0.0962","","","","","","1.102","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111608","29.644","0.004","7.4582","0.001","30.473","0.004","90","","90","","90","","6737.3","1.6","110","2","110","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C71 H72 Ag2 Au4 Cl2 N8 O4 -","- C71 H72 Ag2 Au4 Cl2 N8 O4 -","- C284 H288 Ag8 Au16 Cl8 N32 O16 -","4","1","","Ahmed A. Mohamed; Alfredo Burini; John P. Fackler","Mixed-Metal Triangular Trinuclear Complexes: Dimers of Gold-Silver Mixed-Metal Complexes from Gold(I) Carbeniates and Silver(I) 3,5-Diphenylpyrazolates","Journal of the American Chemical Society","2005","127","","5012","5013","10.1021/ja0429869","","","0.71073","MoKα","","0.0978","0.0597","","","0.116","0.1332","","","","","","1.019","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111609","9.688","0.003","15.542","0.004","23.689","0.006","82.56","0.005","87.887","0.006","78.06","0.005","3460.1","1.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H67 Ag4 Au2 N10 O2 -","- C80 H67 Ag4 Au2 N10 O2 -","- C160 H134 Ag8 Au4 N20 O4 -","2","1","","Ahmed A. Mohamed; Alfredo Burini; John P. Fackler","Mixed-Metal Triangular Trinuclear Complexes: Dimers of Gold-Silver Mixed-Metal Complexes from Gold(I) Carbeniates and Silver(I) 3,5-Diphenylpyrazolates","Journal of the American Chemical Society","2005","127","","5012","5013","10.1021/ja0429869","","","0.71073","MoKα","","0.2077","0.0732","","","0.1086","0.1381","","","","","","0.814","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111610","10.4726","0.0008","15.4811","0.0012","13.8229","0.0011","90","","92.511","0.002","90","","2238.9","0.3","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H38 Co O2 P -","- C23 H38 Co O2 P -","- C92 H152 Co4 O8 P4 -","4","1","","Cyril Godard; Simon B. Duckett; Stacey Polas; Robert Tooze; Adrian C. Whitwood","Detection of Intermediates in Cobalt-Catalyzed Hydroformylation Using para-Hydrogen-Induced Polarization","Journal of the American Chemical Society","2005","127","","4994","4995","10.1021/ja0434533","","","0.71073","MoKα","","0.0402","0.0321","","","0.0851","0.0905","","","","","","1.061","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111611","10.731","0.008","10.679","0.006","14.299","0.009","90","","102.89","0.02","90","","1597.3","1.8","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H45 N3 O6 -","- C34 H45 N3 O6 -","- C68 H90 N6 O12 -","2","1","","Takashi Ooi; Mifune Takeuchi; Daisuke Kato; Yukitaka Uematsu; Eiji Tayama; Daiki Sakai; Keiji Maruoka","Highly Enantioselective Phase-Transfer-Catalyzed Alkylation of Protected α-Amino Acid Amides toward Practical Asymmetric Synthesis of Vicinal Diamines, α-Amino Ketones, and α-Amino Alcohols","Journal of the American Chemical Society","2005","127","","5073","5083","10.1021/ja0459328","","","0.7107","MoKα","","","0.0534","","","","0.1222","","","","","","1.525","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111612","8.8149","0.0009","12.7183","0.0013","18.3693","0.0019","91.953","0.001","90.798","0.002","108.682","0.002","1949.1","0.3","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H37 Cl4 F6 N2 O2 Pd Sb -","- C35 H37 Cl4 F6 N2 O2 Pd Sb -","- C70 H74 Cl8 F12 N4 O4 Pd2 Sb2 -","2","1","","B. Scott Williams; Mark D. Leatherman; Peter S. White; Maurice Brookhart","Reactions of Vinyl Acetate and Vinyl Trifluoroacetate with Cationic Diimine Pd(II) and Ni(II) Alkyl Complexes: Identification of Problems Connected with Copolymerizations of These Monomers with Ethylene","Journal of the American Chemical Society","2005","127","","5132","5146","10.1021/ja045969s","","","0.71073","MolybdenumKα","","0.073","0.057","","0.084","0.076","","","","","","","2.56","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111613","11.163","0.002","12.857","0.002","13.13","0.003","71.78","0.03","84.6","0.03","64.95","0.03","1620","0.7","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H70 Cl2 Cu2 N12 O10 -","- C64 H68 Cl2 Cu2 N12 O10 -","- C64 H68 Cl2 Cu2 N12 O10 -","1","0.5","","Kyosuke Itoh; Hideki Hayashi; Hideki Furutachi; Takahiro Matsumoto; Shigenori Nagatomo; Takehiko Tosha; Shoichi Terada; Shuhei Fujinami; Masatatsu Suzuki; Teizo Kitagawa","Synthesis and Reactivity of a (μ-1,1-Hydroperoxo)(μ-hydroxo)dicopper(II) Complex: Ligand Hydroxylation by a Bridging Hydroperoxo Ligand","Journal of the American Chemical Society","2005","127","","5212","5223","10.1021/ja047437h","","","0.7107","MoKα","","","0.0461","","","","0.0757","","","","","","1.469","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111614","23.989","0.006","16.678","0.004","18.853","0.005","90","","105.033","0.006","90","","7285","3","123.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H71 Cu2 F6 N15 O8 S2 -","- C70 H68 Cu2 F6 N15 O8 S2 -","- C280 H272 Cu8 F24 N60 O32 S8 -","4","0.5","","Kyosuke Itoh; Hideki Hayashi; Hideki Furutachi; Takahiro Matsumoto; Shigenori Nagatomo; Takehiko Tosha; Shoichi Terada; Shuhei Fujinami; Masatatsu Suzuki; Teizo Kitagawa","Synthesis and Reactivity of a (μ-1,1-Hydroperoxo)(μ-hydroxo)dicopper(II) Complex: Ligand Hydroxylation by a Bridging Hydroperoxo Ligand","Journal of the American Chemical Society","2005","127","","5212","5223","10.1021/ja047437h","","","0.7107","MoKα","","","0.0644","","","","0.0951","","","","","","1.697","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111615","14.023","0.005","15.81","0.006","17.194","0.007","104.038","0.007","101.808","0.007","105.329","0.008","3416","2","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C129 H144 B2 Cu2 N14 O11 -","- C129 H106 B2 Cu2 N14 O11 -","- C129 H106 B2 Cu2 N14 O11 -","1","0.5","","Kyosuke Itoh; Hideki Hayashi; Hideki Furutachi; Takahiro Matsumoto; Shigenori Nagatomo; Takehiko Tosha; Shoichi Terada; Shuhei Fujinami; Masatatsu Suzuki; Teizo Kitagawa","Synthesis and Reactivity of a (μ-1,1-Hydroperoxo)(μ-hydroxo)dicopper(II) Complex: Ligand Hydroxylation by a Bridging Hydroperoxo Ligand","Journal of the American Chemical Society","2005","127","","5212","5223","10.1021/ja047437h","","","0.7107","MoKα","","","0.0883","","","","0.1331","","","","","","1.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111616","18.4724","0.0012","18.4724","0.0012","21.479","0.003","90","","90","","120","","6347.3","1.1","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C99 H114 N8 O15 P2 -","- C78 H72 N8 O8 P2 -","- C234 H216 N24 O24 P6 -","3","0.5","","Thomas P. Clark; Clark R. Landis; Susan L. Freed; Jerzy Klosin; Khalil A. Abboud","Highly Active, Regioselective, and Enantioselective Hydroformylation with Rh Catalysts Ligated by Bis-3,4-diazaphospholanes","Journal of the American Chemical Society","2005","127","","5040","5042","10.1021/ja050148o","","","0.71073","MoKα","","0.1472","0.0754","","","0.18","0.1989","","","","","","0.871","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111617","18.2966","0.0013","15.3838","0.0011","19.0807","0.0014","90","","103.864","0.001","90","","5214.2","0.7","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 P4 Pt2 -","- C60 H52 P4 Pt2 -","- C240 H208 P16 Pt8 -","4","1","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.0712","0.0353","","","0.0643","0.0716","","","","","","0.904","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111618","13.837","0.012","14.073","0.016","14.231","0.013","115.24","0.08","98.64","0.06","90.88","0.12","2468","5","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30.23 H26.47 Cl0.47 P2 Pt -","- C30.2333 H26.4667 Cl0.466667 P2 Pt -","- C90.7 H79.4 Cl1.4 P6 Pt3 -","3","3","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.1559","0.1235","","","0.299","0.3289","","","","","","1.218","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111619","18.374","0.0006","18.374","0.0006","55.729","0.003","90","","90","","120","","16293.7","1.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C29.33 H22.67 Cl4.67 P2 Pt -","- C29.36 H22.72 Cl4.72 P2 Pt -","- C528.48 H408.96 Cl84.96 P36 Pt18 -","18","0.5","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.7107","MoKα","","0.0834","0.0493","","","0.1471","0.1753","","","","","","1.039","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111620","13.4455","0.0013","12.6751","0.0012","17.2623","0.0016","90","","94.205","0.002","90","","2934","0.5","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl4 P2 Pt -","- C29 H22 Cl4 P2 Pt -","- C116 H88 Cl16 P8 Pt4 -","4","1","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.7107","MoKα","","0.0775","0.042","","","0.0855","0.0957","","","","","","0.943","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111621","14.1487","0.001","27.8078","0.0019","23.1818","0.0016","90","","90","","90","","9120.7","1.1","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C86.2 H64.4 Cl10.4 P6 Pt3 -","- C86.2 H64.4 Cl10.4 P6 Pt3 -","- C344.8 H257.6 Cl41.6 P24 Pt12 -","4","0.5","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.0953","0.0564","","","0.1233","0.1397","","","","","","0.981","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111622","14.8354","0.0012","20.9175","0.0016","34.772","0.003","90","","101.047","0.002","90","","10590.5","1.5","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124.4 H116.2 Cl0.2 P6 Pt3 -","- C124.4 H116.2 Cl0.2 P6 Pt3 -","- C497.6 H464.8 Cl0.8 P24 Pt12 -","4","1","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.0647","0.0364","","","0.0806","0.091","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111623","12.9032","0.001","13.8547","0.0011","18.2539","0.0013","90.146","0.002","101.1","0.002","93.66","0.001","3195.3","0.4","243","2","243","2","","","","","","","","7","P -1","-P 1","2","RhP2O2Tol","","","- C59.5 H49.5 Cl1.5 F18 O4 P2 Rh -","- C59 H49 F18 O4 P2 Rh -","- C118 H98 F36 O8 P4 Rh2 -","2","1","","Xiang Wang; Benjamin S. Lane; Dalibor Sames","Direct C-Arylation of Free (NH)-Indoles and Pyrroles Catalyzed by Ar-Rh(III) Complexes Assembled In Situ","Journal of the American Chemical Society","2005","127","","4996","4997","10.1021/ja050279p","","","0.71073","MoKα","","0.1487","0.0708","","","0.1866","0.2114","","","","","","0.943","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111624","18.4664","0.0014","13.94","0.0011","21.7527","0.0017","90","","102.455","0.001","90","","5467.8","0.7","27","2","27","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis-[bis-(m-anisyl)-fromamidinato]-chloro-diruthenium(II,III)","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0498","0.0458","","","0.1105","0.1149","","","","","","1.146","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111625","18.5103","0.0015","13.9409","0.0011","21.7987","0.0018","90","","102.39","0.002","90","","5494.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis-[bis-(m-anisyl)-fromamidinato]-chloro-diruthenium(II,III)","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0489","0.0443","","","0.1076","0.1119","","","","","","1.124","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111626","18.612","0.001","13.982","0.001","21.91","0.002","90","","102.31","0.001","90","","5570.6","0.7","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ru2(DAniF(-o))4Cl","","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0429","0.0286","","","0.0551","0.0585","","","","","","1.025","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111627","18.7557","0.0012","13.9847","0.0009","21.9873","0.0014","90","","102.249","0.001","90","","5635.8","0.6","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis-[bis-(m-anisyl)-fromamidinato]-chloro-diruthenium(II,III)","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0551","0.0442","","","0.106","0.1173","","","","","","1.081","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111628","13.0725","0.0006","13.0725","0.0006","16.5571","0.0014","90","","90","","90","","2829.4","0.3","27","2","27","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.045","0.0419","","","0.1079","0.1108","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111629","13.0675","0.0004","13.0675","0.0004","16.5408","0.0011","90","","90","","90","","2824.5","0.2","60","2","60","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0454","0.0428","","","0.1113","0.1146","","","","","","1.138","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111630","13.0913","0.0004","13.0913","0.0004","16.5568","0.0011","90","","90","","90","","2837.5","0.2","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0497","0.043","","","0.1079","0.1121","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111631","13.1235","0.0004","13.1235","0.0004","16.5799","0.001","90","","90","","90","","2855.5","0.2","150","2","150","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0491","0.0436","","","0.1108","0.1174","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111632","13.1651","0.0004","13.1651","0.0004","16.6065","0.0011","90","","90","","90","","2878.2","0.2","220","2","220","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C30.25 H30.5 Cl N4 O4 Ru -","- C30.25 H30 Cl N4 O4 Ru -","- C121 H120 Cl4 N16 O16 Ru4 -","4","0.5","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0497","0.0422","","","0.1083","0.1171","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111633","13.246","0.0005","13.246","0.0005","16.6843","0.0013","90","","90","","90","","2927.4","0.3","299","2","299","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0515","0.0411","","","0.1014","0.1121","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111634","11.1163","0.0006","9.5844","0.0005","23.1449","0.0013","90","","90","","90","","2465.9","0.2","174","2","174","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 O3 P -","- C14 H11 O3 P -","- C112 H88 O24 P8 -","8","1","","Toyoharu Miyagawa; Akira Furuko; Katsuhiro Maeda; Hiroshi Katagiri; Yoshio Furusho; Eiji Yashima","Dual Memory of Enantiomeric Helices in a Polyacetylene Induced by a Single Enantiomer","Journal of the American Chemical Society","2005","127","","5018","5019","10.1021/ja0509634","","","0.71073","MoKα","","0.0411","0.0384","","","0.1074","0.1102","","","","","","1.054","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4111635","12.5352","0.0006","6.4598","0.0003","14.2511","0.0007","90","","109.476","0.001","90","","1087.95","0.09","248","2","248","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N O3 P -","- C24 H24 N O3 P -","- C48 H48 N2 O6 P2 -","2","1","","Toyoharu Miyagawa; Akira Furuko; Katsuhiro Maeda; Hiroshi Katagiri; Yoshio Furusho; Eiji Yashima","Dual Memory of Enantiomeric Helices in a Polyacetylene Induced by a Single Enantiomer","Journal of the American Chemical Society","2005","127","","5018","5019","10.1021/ja0509634","","","0.71073","MoKα","","0.0405","0.0391","","","0.1009","0.1024","","","","","","1.071","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111636","10.65","0.02","6.6","0.01","11.9","0.02","90","","91.94","0.07","90","","836","2","93.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 F6 N2 S2 -","- C18 H8 F6 N2 S2 -","- C36 H16 F12 N4 S4 -","2","0.5","","Shinji Ando; Jun-ichi Nishida; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","High Performance n-Type Organic Field-Effect Transistors Based on π-Electronic Systems with Trifluoromethylphenyl Groups","Journal of the American Chemical Society","2005","127","","5336","5337","10.1021/ja042219+","","","0.7107","MoKα","","","0.0528","","","","0.0677","","","","","","1.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111637","6.0507","","8.1828","","23.2685","","98","","93","","97","","1129.53","","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H12 F6 N2 S4 -","- C26 H12 F6 N2 S4 -","- C52 H24 F12 N4 S8 -","2","1","","Shinji Ando; Jun-ichi Nishida; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","High Performance n-Type Organic Field-Effect Transistors Based on π-Electronic Systems with Trifluoromethylphenyl Groups","Journal of the American Chemical Society","2005","127","","5336","5337","10.1021/ja042219+","","","0.7107","MoKα","","","0.0828","","","","0.1971","","","","","","0.969","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111638","6.154","0.009","7.604","0.009","19.5","0.03","90","","97.18","0.06","90","","905","2","93.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H12 F6 S2 -","- C22 H12 F6 S2 -","- C44 H24 F12 S4 -","2","0.5","","Shinji Ando; Jun-ichi Nishida; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","High Performance n-Type Organic Field-Effect Transistors Based on π-Electronic Systems with Trifluoromethylphenyl Groups","Journal of the American Chemical Society","2005","127","","5336","5337","10.1021/ja042219+","","","0.7107","MoKα","","","0.0507","","","","0.0602","","","","","","0.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111639","8.7408","0.0005","25.7847","0.0014","9.2802","0.0005","90","","103.983","0.001","90","","2029.58","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 F7 Ir P -","- C18 H27 F7 Ir P -","- C72 H108 F28 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Carbon-Fluorine Bond Activation Coupled with Carbon-Carbon Bond Formation at Iridium. Confirmation of Complete Kinetic Diastereoselectivity at the New Carbon Stereocenter by Intramolecular Trapping Using Vinyl as the Migrating Group","Journal of the American Chemical Society","2005","127","","6325","6334","10.1021/ja042345d","","","0.71073","MoKα","","0.0252","0.0225","","","0.0534","0.055","","","","","","0.812","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111640","14.8066","0.0011","9.0186","0.0007","16.9374","0.0012","90","","103.559","0.001","90","","2198.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 F6 I Ir P -","- C18 H27 F6 I Ir P -","- C72 H108 F24 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Carbon-Fluorine Bond Activation Coupled with Carbon-Carbon Bond Formation at Iridium. Confirmation of Complete Kinetic Diastereoselectivity at the New Carbon Stereocenter by Intramolecular Trapping Using Vinyl as the Migrating Group","Journal of the American Chemical Society","2005","127","","6325","6334","10.1021/ja042345d","","","0.71073","MoKα","","0.0314","0.0259","","","0.0564","0.0581","","","","","","1.016","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111641","12.1256","0.0009","12.5665","0.0009","18.2649","0.0013","84.388","0.001","73.367","0.001","84.618","0.001","2647.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 B F30 Ir P -","- C50 H27 B F30 Ir P -","- C100 H54 B2 F60 Ir2 P2 -","2","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Carbon-Fluorine Bond Activation Coupled with Carbon-Carbon Bond Formation at Iridium. Confirmation of Complete Kinetic Diastereoselectivity at the New Carbon Stereocenter by Intramolecular Trapping Using Vinyl as the Migrating Group","Journal of the American Chemical Society","2005","127","","6325","6334","10.1021/ja042345d","","","0.71073","MoKα","","0.058","0.0527","","","0.1183","0.1202","","","","","","1.209","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111642","14.097","0.003","14.036","0.003","10.923","0.002","90","","99.97","0.03","90","","2128.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 I Li N2 O2 -","- C6 H10 I Li N2 O2 -","- C48 H80 I8 Li8 N16 O16 -","8","1","","Hongxia Wang; Hong Li; Bofei Xue; Zhaoxiang Wang; Qingbo Meng; Liquan Chen","Solid-State Composite Electrolyte LiI/3-Hydroxypropionitrile/SiO2 for Dye-Sensitized Solar Cells","Journal of the American Chemical Society","2005","127","","6394","6401","10.1021/ja043268p","","","0.71073","MoKα","","0.0274","0.0233","","","0.0565","0.0576","","","","","","1.075","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111643","16.122","0.002","15.48","0.002","22.026","0.003","90","","95.67","0.01","90","","5470.1","1.2","173","2","173","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C52 H49 F12 N4 O2 P3 Ru S3 -","- C52 H49 F12 N4 O2 P3 Ru S3 -","- C208 H196 F48 N16 O8 P12 Ru4 S12 -","4","1","","Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick","Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties","Journal of the American Chemical Society","2005","127","","6382","6393","10.1021/ja043573a","","","0.71073","MoKα","","0.0482","0.0318","","","0.0854","0.0914","","","","","","1.054","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111644","9.9392","0.0012","11.9992","0.0016","19.528","0.003","73.361","0.005","77.896","0.005","88.836","0.005","2179.9","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H36 F6 N4 P2 Ru S3 -","- C46 H36 F6 N4 P2 Ru S3 -","- C92 H72 F12 N8 P4 Ru2 S6 -","2","1","","Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick","Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties","Journal of the American Chemical Society","2005","127","","6382","6393","10.1021/ja043573a","","","0.71073","MoKα","","0.0631","0.0374","","","0.0882","0.1067","","","","","","1.063","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111645","12.8576","0.001","14.6776","0.0009","20.1152","0.001","77.793","0.007","89.283","0.007","87.576","0.008","3706.9","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H85 B F10 N4 P2 Ru S5 -","- C76 H84.542 B F10 N4 P2 Ru S5 -","- C152 H169.084 B2 F20 N8 P4 Ru2 S10 -","2","1","","Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick","Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties","Journal of the American Chemical Society","2005","127","","6382","6393","10.1021/ja043573a","","","0.71069","MoKα","","0.1337","0.0743","","","0.165","0.2162","","","","","","1.017","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111646","22.541","0.005","22.541","0.005","22.541","0.005","90","0.005","90","0.005","90","0.005","11453","4","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C59 H63 N5 O17 Zn4 -","- C42 H24 N2 O13 Zn4 -","- C336 H192 N16 O104 Zn32 -","8","0.166667","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1358","0.0898","","","0.2815","0.3019","","","","","","1.07","","","","has coordinates","213986","2020-10-21","18:00:00",""
"4111647","22.393","0.005","22.393","0.005","22.393","0.005","90","0.005","90","0.005","90","0.005","11229","4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C42 H24 N2 O13 Zn4 -","- C14 H8 N0.666667 O4.33333 Zn1.33333 -","- C336 H192 N16 O104 Zn32 -","24","1","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1584","0.072","","","0.1888","0.2537","","","","","","1.152","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111648","22.4509","0.0004","22.4509","0.0004","22.4509","0.0004","90","","90","","90","","11316.2","0.3","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C42 H24 N2 O13 Zn4 -","- C14 H8 N0.666667 O4.33333 Zn1.33333 -","- C336 H192 N16 O104 Zn32 -","24","0.5","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1185","0.0823","","","0.2442","0.2854","","","","","","1.17","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111649","9.0912","0.0018","18.649","0.004","28.255","0.006","90","","96.25","0.03","90","","4761.9","1.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Si -","- C30 H26 Si -","- C240 H208 Si8 -","8","2","","Gui Yu; Shiwei Yin; Yunqi Liu; Jiangshan Chen; Xinjun Xu; Xiaobo Sun; Dongge Ma; Xiaowei Zhan; Qian Peng; Zhigang Shuai; Benzhong Tang; Daoben Zhu; Weihai Fang; Yi Luo","Structures, Electronic States, Photoluminescence, and Carrier Transport Properties of 1,1-Disubstituted 2,3,4,5-Tetraphenylsiloles","Journal of the American Chemical Society","2005","127","","6335","6346","10.1021/ja044628b","","","0.71073","MoKα","","0.1466","0.0745","","","0.1908","0.2144","","","","","","1.027","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111650","10.189","0.0003","11.2713","0.0006","11.987","0.0005","88.827","0.0004","76.811","0.003","88.576","0.002","1339.75","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H28 Si -","- C35 H28 Si -","- C70 H56 Si2 -","2","1","","Gui Yu; Shiwei Yin; Yunqi Liu; Jiangshan Chen; Xinjun Xu; Xiaobo Sun; Dongge Ma; Xiaowei Zhan; Qian Peng; Zhigang Shuai; Benzhong Tang; Daoben Zhu; Weihai Fang; Yi Luo","Structures, Electronic States, Photoluminescence, and Carrier Transport Properties of 1,1-Disubstituted 2,3,4,5-Tetraphenylsiloles","Journal of the American Chemical Society","2005","127","","6335","6346","10.1021/ja044628b","","","0.71073","MoKα","","0.0962","0.0535","","","0.1093","0.1213","","","","","","0.92","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111651","28.423","0.003","6.5858","0.0008","17.641","0.002","90","","97.363","0.002","90","","3275","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C152 H208 O16 -","8","1","","Shengming Ma; Zhenhua Gu","PdCl2-Catalyzed Two-Component Cross-Coupling Cyclization of 2,3-Allenoic Acids with 2,3-Allenols. An Efficient Synthesis of 4-(1',3'-Dien-2'-yl)-2(5H)-furanone Derivatives","Journal of the American Chemical Society","2005","127","","6182","6183","10.1021/ja0500815","","","0.71073","MoKα","","0.0763","0.0534","","","0.1292","0.1419","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111652","13.085","0.001","7.901","0.0006","15.038","0.001","90","","90","","90","","1554.7","0.2","126.2","","126.2","","","","","","","","","3","P n a 21","P 2c -2n","33","Sterekunthal B","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Jeremiah P. Malerich; Thomas J. Maimone; Gregory I. Elliott; Dirk Trauner","Biomimetic Synthesis of Antimalarial Naphthoquinones","Journal of the American Chemical Society","2005","127","","6276","6283","10.1021/ja050092y","","","0.7107","MoKα","","0.0553","0.0458","","0.0573","0.0552","0.0552","","","","","","1.651","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111653","5.5937","0.0006","10.5483","0.0011","12.4593","0.0013","90","","90.314","0.002","90","","735.14","0.13","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ag4 F2 O6 V2 -","- Ag4 F2 O6 V2 -","- Ag16 F8 O24 V8 -","4","1","","Erin M. Sorensen; Heather K. Izumi; John T. Vaughey; Charlotte L. Stern; Kenneth R. Poeppelmeier","Ag4V2O6F2: An Electrochemically Active and High Silver Density Phase","Journal of the American Chemical Society","2005","127","","6347","6352","10.1021/ja050150f","","","0.71073","MoKα","","0.04","0.0342","","","0.0776","0.0813","","","","","","1.13","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111654","7.51","0.02","8.08","0.02","12.98","0.02","80.83","0.07","83.69","0.08","87.54","0.06","773","3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Cl10 Ir2 Sn2 -","- C16 H24 Cl10 Ir2 Sn2 -","- C16 H24 Cl10 Ir2 Sn2 -","1","0.5","","Joyanta Choudhury; Susmita Podder; Sujit Roy","Cooperative Friedel-Crafts Catalysis in Heterobimetallic Regime: Alkylation of Aromatics by π-Activated Alcohols","Journal of the American Chemical Society","2005","127","","6162","6163","10.1021/ja0506004","","","0.71073","MoKα","","0.0538","0.0476","","","0.1199","0.1225","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111655","16.9601","0.001","6.23599","0.00029","7.28294","0.00033","90","","90","","90","","770.27","0.07","","","293","2","","","","","","","","5","C m c m","-C 2c 2","63","Hydrated Copper(II) bispyrazolate","catena-aquo-(bis(μ~2~-pyrazolato)-copper(ii))","","- C6 H8 Cu N4 O -","- C6 Cu N4 O -","- C24 Cu4 N16 O4 -","4","0.25","","Augusto Cingolani; Simona Galli; Norberto Masciocchi; Luciano Pandolfo; Claudio Pettinari; Angelo Sironi","Sorption-Desorption Behavior of Bispyrazolato-Copper(II) 1D Coordination Polymers","Journal of the American Chemical Society","2005","127","","6144","6145","10.1021/ja050856+","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111656","9.0553","0.0011","7.40105","0.00062","5.59697","0.00042","90","","99.4756","0.0072","90","","369.98","0.06","","","403","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Copper(II) bispyrazolate","catena-(bis(μ~2~-pyrazolato)-copper(ii)) (beta from)","","- C6 H6 Cu N4 -","- C6 Cu N4 -","- C12 Cu2 N8 -","2","0.5","","Augusto Cingolani; Simona Galli; Norberto Masciocchi; Luciano Pandolfo; Claudio Pettinari; Angelo Sironi","Sorption-Desorption Behavior of Bispyrazolato-Copper(II) 1D Coordination Polymers","Journal of the American Chemical Society","2005","127","","6144","6145","10.1021/ja050856+","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111657","27.382","0.004","10.834","0.002","18.963","0.005","90","","90","","90","","5625","2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H52 N3 Na Zn -","- C23 H52 N3 Na Zn -","- C184 H416 N24 Na8 Zn8 -","8","1","","Prokopis C. Andrikopoulos; David R. Armstrong; Helen R. L. Barley; William Clegg; Sophie H. Dale; Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey","Sodium Dialkyl-amidozincates: Alkyl or Amido Bases? An Experimental and Theoretical Case Study","Journal of the American Chemical Society","2005","127","","6184","6185","10.1021/ja050860l","","","0.71073","MoKα","","0.1255","0.08","","","0.2098","0.2414","","","","","","1.093","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111658","16.5118","0.0005","10.9189","0.0002","16.8603","0.0005","90","","111.755","0.001","90","","2823.26","0.13","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H48 N3 Na Zn -","- C25 H48 N3 Na Zn -","- C100 H192 N12 Na4 Zn4 -","4","1","","Prokopis C. Andrikopoulos; David R. Armstrong; Helen R. L. Barley; William Clegg; Sophie H. Dale; Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey","Sodium Dialkyl-amidozincates: Alkyl or Amido Bases? An Experimental and Theoretical Case Study","Journal of the American Chemical Society","2005","127","","6184","6185","10.1021/ja050860l","","","0.71073","MoKα","","0.1046","0.0467","","","0.0816","0.0963","","","","","","1.011","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111659","8.6508","0.0006","11.8054","0.0009","17.1606","0.0013","108.408","0.001","92.778","0.001","110.72","0.001","1529.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- manganese(ii)","","- C40 H8 Bi2 F48 Mn O16 -","- C40 H8 Bi2 F48 Mn O16 -","- C40 H8 Bi2 F48 Mn O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0403","0.037","","","0.0974","0.0996","","","","","","1.031","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111660","8.7717","0.0005","11.7532","0.0007","16.934","0.001","107.844","0.001","93.551","0.001","111.02","0.001","1521.96","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- iron(ii)","","- C40 H8 Bi2 F48 Fe O16 -","- C40 H8 Bi2 F48 Fe O16 -","- C40 H8 Bi2 F48 Fe O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0404","0.037","","","0.0984","0.101","","","","","","1.05","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111661","8.7556","0.0006","11.7149","0.0007","16.9468","0.0011","107.688","0.001","93.67","0.001","111.024","0.001","1516.29","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- cobalt(ii)","","- C40 H8 Bi2 Co F48 O16 -","- C40 H8 Bi2 Co F48 O16 -","- C40 H8 Bi2 Co F48 O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.035","0.0325","","","0.0871","0.0886","","","","","","1.041","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111662","8.796","0.0005","11.695","0.0007","16.8434","0.001","107.403","0.001","94.115","0.001","111.058","0.001","1511.37","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- nickel(ii)","","- C40 H8 Bi2 F48 Ni O16 -","- C40 H8 Bi2 F48 Ni O16 -","- C40 H8 Bi2 F48 Ni O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0604","0.0441","","","0.101","0.1074","","","","","","1.022","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111663","8.6959","0.0005","11.2432","0.0006","16.8765","0.0009","73.722","0.001","76.46","0.001","69.634","0.001","1467.66","0.14","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- copper(ii)","","- C40 H8 Bi2 Cu F48 O16 -","- C40 H8 Bi2 Cu F48 O16 -","- C40 H8 Bi2 Cu F48 O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0221","0.021","","","0.0511","0.0516","","","","","","1.054","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111664","8.7341","0.0004","11.6818","0.0006","17.0724","0.0009","107.801","0.001","93.307","0.001","111.138","0.001","1519","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- zinc(ii)","","- C40 H8 Bi2 F48 O16 Zn -","- C40 H8 Bi2 F48 O16 Zn -","- C40 H8 Bi2 F48 O16 Zn -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.039","0.0375","","","0.0995","0.1007","","","","","","1.046","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111665","8.5897","0.0005","12.6092","0.0008","21.8838","0.0014","104.701","0.001","93.353","0.001","97.644","0.001","2261.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","tris(1,1,1,5,5,5-hexafluoroacetylacetonato)-bismuth(iii)","","- C15 H3 Bi F18 O6 -","- C15 H3 Bi F18 O6 -","- C60 H12 Bi4 F72 O24 -","4","2","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0307","0.0273","","","0.068","0.0695","","","","","","1.034","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111666","20.3991","0.0011","7.8389","0.0004","20.312","0.0011","90","","109.276","0.001","90","","3065.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-zinc(ii)","","- C10 H2 F12 O4 Zn -","- C10 H2 F12 O4 Zn -","- C80 H16 F96 O32 Zn8 -","8","1","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0707","0.0657","","","0.174","0.1783","","","","","","1.085","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111667","22.541","0.005","22.541","0.005","22.541","0.005","90","0.005","90","0.005","90","0.005","11453","4","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C59 H63 N5 O17 Zn4 -","- C48 H24 N5 O13 Zn4 -","- C384 H192 N40 O104 Zn32 -","8","0.166667","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1605","0.0978","","","0.2775","0.3103","","","","","","1.102","","4111646","","has coordinates","215354","2020-10-21","18:00:00",""
"4111669","43.32","0.01","7.1157","0.0016","15.208","0.003","90","","90","","90","","4687.9","1.8","120","2","120","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C68 H56 -","- C68 H56 -","- C272 H224 -","4","0.5","","Steven D. Karlen; Rafael Ortiz; Orville L. Chapman; Miguel A. Garcia-Garibay","Effects of Rotational Symmetry Order on the Solid State Dynamics of Phenylene and Diamantane Rotators","Journal of the American Chemical Society","2005","127","","6554","6555","10.1021/ja042512+","","","0.71073","MoKα","","0.1602","0.112","","","0.2496","0.2714","","","","","","1.151","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111670","18.94","0.01","24.79","0.02","24.33","0.01","90","","97.77","0.09","90","","11319","12","30","2","30","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","((Co(tmphen)2)3(Fe(CN)6)2).9H2O","'((Co(tmphen)2)3(Fe(CN)6)2).9H2O","","- C108 H114 Co3 Fe2 N24 O9 -","- C108 H96 Co3 Fe2 N24 O9 -","- C432 H384 Co12 Fe8 N96 O36 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.2097","0.1255","","","0.3021","0.3514","","","","","","1.094","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111671","19.04","0.04","24.77","0.05","24.56","0.05","90","","97.72","0.09","90","","11478","4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{Co(tmphen)2)3(Fe(CN)6)2}.12H2O","{Co(tmphen)2)3(Fe(CN)6)2}.12H2O","","- C108 H120 Co3 Fe2 N24 O12 -","- C108 H96 Co3 Fe2 N24 O12 -","- C432 H384 Co12 Fe8 N96 O48 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1204","0.0835","","","0.2368","0.2645","","","","","","1.043","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111672","19.02","0.01","25.03","0.02","24.65","0.02","90","","97.86","0.02","90","","11625","15","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Co(tmphen)2]3[Fe(CN)6]2}.13H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.13H2O","","- C108 H122 Co3 Fe2 N24 O13 -","- C108 H96 Co3 Fe2 N24 O13 -","- C432 H384 Co12 Fe8 N96 O52 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1219","0.076","","","0.2058","0.2358","","","","","","1.035","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111673","19.054","0.014","24.95","0.02","24.782","0.018","90","","97.688","0.019","90","","11675","15","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{(Co(tmphen)2)3(Fe(CN)6)2}.11H2O","{(Co(tmphen)2)3(Fe(CN)6)2}.11H2O","","- C108 H118 Co3 Fe2 N24 O11 -","- C108 H96 Co3 Fe2 N24 O11 -","- C432 H384 Co12 Fe8 N96 O44 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1289","0.0971","","","0.2587","0.2881","","","","","","1.136","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111674","19.05","0.05","25.16","0.07","24.45","0.07","90","","97.62","0.06","90","","11615","6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Co(tmphen)2]3[Fe(CN)6]2}.8H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.8H2O","","- C108 H112 Co3 Fe2 N24 O8 -","- C108 H96 Co3 Fe2 N24 O8 -","- C432 H384 Co12 Fe8 N96 O32 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1901","0.121","","","0.2919","0.3452","","","","","","0.989","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111675","19.09","0.019","25.21","0.03","24.69","0.02","90","","97.67","0.04","90","","11776","2","173","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","((Co(tmphen)2)3(Fe(CN)6)2).7H2O","((Co(tmphen)2)3(Fe(CN)6)2).7H2O","","- C108 H110 Co3 Fe2 N24 O7 -","- C108 H96 Co3 Fe2 N24 O7 -","- C432 H384 Co12 Fe8 N96 O28 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1344","0.0954","","","0.2664","0.2941","","","","","","1.013","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111676","19.223","0.004","25.188","0.005","24.805","0.005","90","","97.45","0.03","90","","11909","4","190","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","((Co(tmphen)2)3(Fe(CN)6)2).8H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.8H2O","","- C108 H112 Co3 Fe2 N24 O8 -","- C108 H96 Co3 Fe2 N24 O8 -","- C432 H384 Co12 Fe8 N96 O32 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1801","0.0997","","","0.2431","0.2933","","","","","","1.012","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111677","19.261","0.004","25.123","0.005","24.782","0.005","90","","97.74","0.03","90","","11883","4","210","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Co(tmphen)2]3[Fe(CN)6]2}.9H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.9H2O","","- C108 H114 Co3 Fe2 N24 O9 -","- C108 H96 Co3 Fe2 N24 O8.99 -","- C432 H384 Co12 Fe8 N96 O35.96 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1076","0.0765","","","0.2234","0.2545","","","","","","1.034","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111678","19.04","0.02","24.91","0.03","24.62","0.04","90","","97.64","0.08","90","","11573","3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Co(tmphen)2]3[Fe(CN)6]2}.6H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.6H2O","","- C108 H108 Co3 Fe2 N24 O6 -","- C108 H96 Co3 Fe2 N24 O6 -","- C432 H384 Co12 Fe8 N96 O24 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1167","0.0735","","","0.2089","0.2365","","","","","","1.035","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111679","18.86","0.03","25.22","0.03","29.69","0.05","90","","97.52","0.06","90","","14001","4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Na((Co(tmphen)2)3(Fe(CN)6)2)2ClO4.34H2O","","- C107 H164 Cl2 Co3 Fe2 N24 Na O42 -","- C107 H96 Cl2 Co3 Fe2 N24 Na O42 -","- C428 H384 Cl8 Co12 Fe8 N96 Na4 O168 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1773","0.096","","","0.2443","0.2996","","","","","","1.009","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111680","18.53","0.003","18.53","0.003","31.483","0.006","90","","90","","120","","9362","3","110","2","110","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","{[Co(bpy)2]3[Fe(CN)6]2}[Fe(CN)6]1/3","{[Co(bpy)2]3[Fe(CN)6]2}[Fe(CN)6]1/3","","- C74 H88 Co3 Fe2.33 N26 O20 -","- C73.98 H48 Co3 Fe2.33 N25.98 O20.01 -","- C295.92 H192 Co12 Fe9.32 N103.92 O80.04 -","4","0.333333","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.0799","0.0699","","","0.1892","0.1963","","","","","","1.122","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111681","5.521","0.003","7.874","0.004","18.048","0.008","90","","96.83","0.04","90","","779","0.7","143","2","143","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C32 H52 O6 -","2","1","","Tarek Sammakia; Deidre M. Johns; Ganghyeok Kim; Martin A. Berliner","Remote Asymmetric Induction in an Intramolecular Ionic Diels-Alder Reaction: Application to the Total Synthesis of (+)-Dihydrocompactin","Journal of the American Chemical Society","2005","127","","6504","6505","10.1021/ja043506g","","","0.71073","MoKα","","0.0882","0.0512","","","0.1153","0.1304","","","","","","0.98","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111682","9.1369","0.0012","7.1216","0.001","16.715","0.002","90","","104.815","0.002","90","","1051.5","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Yellow Tl[Pt(CN)~2~(C~4~H~9~N~4~)","","","- C6 H9 N6 Pt Tl -","- C6 H9 N6 Pt Tl -","- C24 H36 N24 Pt4 Tl4 -","4","1","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Polymorphs with Varying Platinum(II)-Thallium(I) Interactions","Journal of the American Chemical Society","2005","127","","6512","6513","10.1021/ja050014a","","","0.71073","MoKα","","0.0438","0.028","","","0.0531","0.0583","","","","","","1.067","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111683","19.5045","0.0014","6.178","0.0004","8.4794","0.0006","90","","90","","90","","1021.76","0.12","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Red Tl[Pt(CN)~2~(C~4~H~9~N~4~)]","","","- C6 H9 N6 Pt Tl -","- C6 H9 N6 Pt Tl -","- C24 H36 N24 Pt4 Tl4 -","4","0.5","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Polymorphs with Varying Platinum(II)-Thallium(I) Interactions","Journal of the American Chemical Society","2005","127","","6512","6513","10.1021/ja050014a","","","0.71073","MoKα","","0.0364","0.0283","","","0.0739","0.0784","","","","","","1.075","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111684","10.7027","0.0013","18.094","0.002","16.504","0.002","90","","101.632","0.002","90","","3130.4","0.6","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","(Ph~4~As)[(C~4~H~9~N~4~)Pt(CN)~2~]^.^3.5H~2~O","","","- C30 H36 As N6 O3.5 Pt -","- C30 H36 As N6 O3.5 Pt -","- C120 H144 As4 N24 O14 Pt4 -","4","2","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Polymorphs with Varying Platinum(II)-Thallium(I) Interactions","Journal of the American Chemical Society","2005","127","","6512","6513","10.1021/ja050014a","","","0.71073","MoKα","","0.048","0.0447","","","0.1112","0.113","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111685","17.1345","0.0007","20.4994","0.0009","20.6618","0.0009","90","","105.575","0.001","90","","6990.9","0.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H62 Cl2 Cu2 N4 O3.75 -","- C72 H62 Cl2 Cu2 N4 O3.75 -","- C288 H248 Cl8 Cu8 N16 O15 -","4","2","","Joshua J. Van Veldhuizen; John E. Campbell; Russell E. Giudici; Amir H. Hoveyda","A Readily Available Chiral Ag-Based N-Heterocyclic Carbene Complex for Use in Efficient and Highly Enantioselective Ru-Catalyzed Olefin Metathesis and Cu-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2005","127","","6877","6882","10.1021/ja050179j","","","0.71073","MoKα","","0.1227","0.0805","","","0.23","0.2466","","","","","","0.993","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111686","16.5636","0.0018","20.131","0.002","21.073","0.002","90","","98.589","0.002","90","","6947.8","1.2","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H66 Ag2 Cl4 N4 O2 -","- C74 H66 Ag2 Cl4 N4 O2 -","- C296 H264 Ag8 Cl16 N16 O8 -","4","0.5","","Joshua J. Van Veldhuizen; John E. Campbell; Russell E. Giudici; Amir H. Hoveyda","A Readily Available Chiral Ag-Based N-Heterocyclic Carbene Complex for Use in Efficient and Highly Enantioselective Ru-Catalyzed Olefin Metathesis and Cu-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2005","127","","6877","6882","10.1021/ja050179j","","","0.71073","MoKα","","0.1039","0.0878","","","0.1906","0.1987","","","","","","1.18","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111687","11.315","0.0006","11.7401","0.0007","11.9111","0.0007","81.072","0.001","70.858","0.001","71.09","0.001","1411.98","0.14","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N4 O4 S2 -","- C30 H30 N4 O4 S2 -","- C60 H60 N8 O8 S4 -","2","1","","Konstantinos Kavallieratos; Jay M. Rosenberg; Wei-Zhong Chen; Tong Ren","Fluorescent Sensing and Selective Pb(II) Extraction by a Dansylamide Ion-Exchanger","Journal of the American Chemical Society","2005","127","","6514","6515","10.1021/ja050296e","","","0.71073","MoKα","","0.0584","0.0393","","","0.0996","0.1063","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111688","13.6067","0.0009","8.1374","0.0004","17.5031","0.0009","90","","109.835","0.003","90","","1823.02","0.18","233","2","233","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 B F4 Fe -","- C18 H26 B F4 Fe -","- C72 H104 B4 F16 Fe4 -","4","0.5","","Herwig Schottenberger; Klaus Wurst; Ulrich J. Griesser; Ram K. R. Jetti; Gerhard Laus; Rolfe H. Herber; Israel Nowik","57Fe-Labeled Octamethylferrocenium Tetrafluoroborate. X-ray Crystal Structures of Conformational Isomers, Hyperfine Interactions, and Spin-Lattice Relaxation by Moessbauer Spectroscopy","Journal of the American Chemical Society","2005","127","","6795","6801","10.1021/ja050452h","","","0.71073","MoKα","","0.0395","0.031","","","0.0796","0.0828","","","","","","1.053","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111689","8.4","0.001","8.503","0.001","25.916","0.004","90","","94.353","0.006","90","","1845.7","0.4","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 B F4 Fe -","- C18 H26 B F4 Fe -","- C72 H104 B4 F16 Fe4 -","4","1","","Herwig Schottenberger; Klaus Wurst; Ulrich J. Griesser; Ram K. R. Jetti; Gerhard Laus; Rolfe H. Herber; Israel Nowik","57Fe-Labeled Octamethylferrocenium Tetrafluoroborate. X-ray Crystal Structures of Conformational Isomers, Hyperfine Interactions, and Spin-Lattice Relaxation by Moessbauer Spectroscopy","Journal of the American Chemical Society","2005","127","","6795","6801","10.1021/ja050452h","","","0.71073","MoKα","","0.1066","0.0578","","","0.1261","0.1414","","","","","","0.971","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111690","14.3989","0.0014","13.4806","0.0013","17.224","0.0016","90","","112.324","0.002","90","","3092.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[3,5-(i-Pr)2PzCu]3","","","- C27 H45 Cu3 N6 -","- C27 H45 Cu3 N6 -","- C108 H180 Cu12 N24 -","4","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0279","0.0248","","","0.0657","0.0672","","","","","","1.078","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111691","15.0852","0.0007","18.0948","0.0009","13.116","0.0006","90","","100.771","0.001","90","","3517.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[3-(CF3)PzCu]3","","","- C12 H6 Cu3 F9 N6 -","- C12 H6 Cu3 F9 N6 -","- C96 H48 Cu24 F72 N48 -","8","2","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0949","0.0598","","","0.1467","0.1699","","","","","","1.012","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111692","12.7722","0.0005","22.3549","0.0009","7.45","0.0003","90","","107.766","0.001","90","","2025.69","0.14","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","[3-(CF3),5-(CH3)PzCu]3","","","- C15 H12 Cu3 F9 N6 -","- C15 H12 Cu3 F9 N6 -","- C60 H48 Cu12 F36 N24 -","4","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0226","0.022","","","0.0583","0.0585","","","","","","1.059","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111693","11.7498","0.0004","19.5123","0.0007","13.1595","0.0005","90","","90.688","0.001","90","","3016.8","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[3-(CF3),5-(Ph)PzCu]3","","","- C30 H18 Cu3 F9 N6 -","- C30 H18 Cu3 F9 N6 -","- C120 H72 Cu12 F36 N24 -","4","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0348","0.031","","","0.0789","0.0809","","","","","","1.106","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111694","9.1553","0.0004","11.3906","0.0005","12.2324","0.0005","66.407","0.001","74.453","0.001","78.547","0.001","1120.21","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[3,5-(CF3)2Pz]3","","","- C15 H3 Cu3 F18 N6 -","- C15 H3 Cu3 F18 N6 -","- C30 H6 Cu6 F36 N12 -","2","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0383","0.0356","","","0.0939","0.0968","","","","","","1.048","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111695","16.7624","0.0006","13.6917","0.0006","11.9969","0.0004","90","","106.005","0.0025","90","","2646.63","0.18","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 O6 -","- C9 H3 O6 -","- C108 H36 O72 -","12","3","","Fang Guo; Kenneth D. M. Harris","Structural Understanding of a Molecular Material that Is Accessed Only by a Solid-State Desolvation Process: The Scope of Modern Powder X-ray Diffraction Techniques","Journal of the American Chemical Society","2005","127","","7314","7315","10.1021/ja050733p","","","","","","","","","","","","","","","","","","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111696","11.905","0.002","19.325","0.003","17.425","0.003","90","","90","","90","","4008.9","1.1","375","2","375","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C15 H12 Co N5 O6 -","- C15 H12 Co N5 O6 -","- C120 H96 Co8 N40 O48 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0521","0.0448","","","0.1212","0.1287","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111697","12.22","0.004","19.151","0.007","17.46","0.006","90","","90","","90","","4086","2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H18 Co N5 O7 -","- C17 H13 Co N5 O7 -","- C136 H104 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0562","0.0444","","","0.1277","0.1391","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111698","12.0529","0.0015","19.227","0.002","17.48","0.002","90","","90","","90","","4050.8","0.8","300","2","300","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C16 H16 Co N5 O7 -","- C16 H16 Co N5 O7 -","- C128 H128 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0752","0.056","","","0.1526","0.1707","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111699","11.984","0.008","19.23","0.013","17.372","0.012","90","","90","","90","","4003","5","300","2","300","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H15 Co N6 O6 -","- C17 H15 Co N6 O6 -","- C136 H120 Co8 N48 O48 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0841","0.0714","","","0.1899","0.1996","","","","","","1.104","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111700","12.699","0.013","19.21","0.02","17.76","0.02","90","","90","","90","","4333","8","320","2","320","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C18 H18 Co N5 O7 -","- C18 H18 Co N5 O7 -","- C144 H144 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0943","0.0683","","","0.1709","0.1945","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111701","13.116","0.005","19.085","0.007","17.934","0.007","90","","90","","90","","4489","3","310","2","310","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C19 H20 Co N5 O7 -","- C19 H20 Co N5 O7 -","- C152 H160 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.1295","0.0944","","","0.2571","0.2962","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111702","11.372","0.0016","17.486","0.003","11.3736","0.0016","90","","114.319","0.002","90","","2061","0.5","305","2","305","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C16 H14 Cl2 Co N5 O6 -","- C16 H14 Cl2 Co N5 O6 -","- C64 H56 Cl8 Co4 N20 O24 -","4","1","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0505","0.0455","","","0.1236","0.129","","","","","","1.08","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111703","6.8229","0.0009","10.7754","0.0018","18.558","0.003","90","","90","","90","","1364.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Br N4 O5 -","- C11 H15 Br N4 O5 -","- C44 H60 Br4 N16 O20 -","4","1","","Frank Seela; Xiaohua Peng; Hong Li","Base-Pairing, Tautomerism, and Mismatch Discrimination of 7-Halogenated 7-Deaza-2'-deoxyisoguanosine: Oligonucleotide Duplexes with Parallel and Antiparallel Chain Orientation","Journal of the American Chemical Society","2005","127","","7739","7751","10.1021/ja0425785","","","0.71073","MoKα","","0.0659","0.0497","","","0.1206","0.1323","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111704","15.2552","0.001","16.7611","0.0011","21.8794","0.0014","90","","91.146","0.001","90","","5593.3","0.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1(2)","","","- C58 H82 F2 Fe2 N4 -","- C58 H82 F2 Fe2 N4 -","- C232 H328 F8 Fe8 N16 -","4","0.5","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0816","0.0543","","","0.1057","0.1134","","","","","","1.076","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111705","23.48","0.003","8.5555","0.0011","17.105","0.002","90","","108.491","0.003","90","","3258.7","0.7","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2","(diketiminate)iron(ii) fluoride","","- C35 H53 F Fe N2 -","- C35 H53 F Fe N2 -","- C140 H212 F4 Fe4 N8 -","4","0.5","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0608","0.0409","","","0.0886","0.0965","","","","","","1.03","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111706","10.0195","0.0011","12.4908","0.0013","18.648","0.002","107.879","0.002","103.667","0.002","91.076","0.002","2147.7","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","3","","","- C39 H63 B F4 Fe N2 O -","- C39 H63 B F4 Fe N2 O -","- C78 H126 B2 F8 Fe2 N4 O2 -","2","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0528","0.0399","","","0.1157","0.1221","","","","","","1.122","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111707","15.403","0.0008","26.3684","0.0015","19.7988","0.0011","90","","97.304","0.001","90","","7976.1","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4","L(tBu)FeSSiMe3","","- C38 H62 Fe N2 S Si -","- C38 H62 Fe N2 S Si -","- C304 H496 Fe8 N16 S8 Si8 -","8","2","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.1248","0.0479","","","0.0779","0.0952","","","","","","0.899","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111708","16.941","0.002","12.5476","0.0016","19.408","0.003","90","","90.781","0.002","90","","4125.2","1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5","","","- C40 H62 Fe N2 Si -","- C40 H62 Fe N2 Si -","- C160 H248 Fe4 N8 Si4 -","4","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0782","0.0453","","","0.0953","0.1133","","","","","","1.044","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111709","11.5959","0.0015","18.315","0.002","28.59","0.004","90","","98.87","0.002","90","","5999.3","1.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6(2)","","","- C62 H94 Fe2 N4 O -","- C62 H94 Fe2 N4 O -","- C248 H376 Fe8 N16 O4 -","4","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.2056","0.0791","","","0.1954","0.2344","","","","","","1.048","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111710","9.864","0.0009","12.2956","0.0011","17.9941","0.0016","96.695","0.002","97.672","0.002","112.544","0.002","1963.7","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","2(CH3CN)","","","- C39 H59 F Fe N4 -","- C39 H59 F Fe N4 -","- C78 H118 F2 Fe2 N8 -","2","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.1025","0.0944","","","0.191","0.1943","","","","","","1.39","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111711","13.9028","0.0006","20.4954","0.0009","18.804","0.0006","90","","128.169","0.002","90","","4212.5","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2(tBupy)","","","- C44 H66 F Fe N3 -","- C44 H66 F Fe N3 -","- C176 H264 F4 Fe4 N12 -","4","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.1164","0.0523","","","0.115","0.1383","","","","","","1.016","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111712","8.6321","0.001","12.4465","0.0014","18.43","0.002","92.217","0.002","91.025","0.002","99.486","0.002","1951","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","1(tBupy)","","","- C38 H54 F Fe N3 -","- C38 H54 F Fe N3 -","- C76 H108 F2 Fe2 N6 -","2","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0789","0.0607","","","0.1699","0.1797","","","","","","1.073","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111713","8.9028","0.0008","12.657","0.0011","18.2746","0.0015","93.323","0.001","101.575","0.002","94.635","0.002","2004.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","1(CF3py)","","","- C42 H59 F4 Fe N3 O -","- C42 H59 F4 Fe N3 O -","- C84 H118 F8 Fe2 N6 O2 -","2","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.1494","0.086","","","0.2304","0.2739","","","","","","1.039","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111714","12.0916","0.0004","17.4974","0.0005","16.9911","0.0006","90","","107.961","0.001","90","","3419.65","0.19","200","2","200","2","","","","","","","chemical synthesis","7","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-triphenylphosphine-[P,S,S-tris(2-thiomethyl-N-pyrrolyl)- phosphine]chromium(0)","","- C35 H33 Cr N3 O2 P2 S3 -","- C35 H33 Cr N3 O2 P2 S3 -","- C140 H132 Cr4 N12 O8 P8 S12 -","4","1","","M. F. Semmelhack; Anatoly Chlenov; Douglas M. Ho","Accelerated Arene Ligand Exchange in the (Arene)Cr(CO)2L Series","Journal of the American Chemical Society","2005","127","","7759","7773","10.1021/ja042705x","","","0.71073","MoKα","","0.0673","0.0434","","0.1173","","0.1052","","","1.023","","","1.074","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111715","9.7378","0.0005","14.3953","0.0005","15.0391","0.0007","82.259","0.002","87.558","0.002","82.399","0.002","2069.93","0.16","200","2","200","2","","","","","","","chemical synthesis","7","P -1","-P 1","2","","Benzenedicarbonyl[P-bis(N-pyrrolyl)(2-thiomethyl-N-pyrrolyl)phosphine]- chromium(0)","","- C21 H20 Cr N3 O2 P S -","- C21 H20 Cr N3 O2 P S -","- C84 H80 Cr4 N12 O8 P4 S4 -","4","2","","M. F. Semmelhack; Anatoly Chlenov; Douglas M. Ho","Accelerated Arene Ligand Exchange in the (Arene)Cr(CO)2L Series","Journal of the American Chemical Society","2005","127","","7759","7773","10.1021/ja042705x","","","0.71073","MoKα","","0.0943","0.0483","","0.1162","","0.0978","","","1.009","","","1.068","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111716","8.0625","0.0001","13.2833","0.0002","10.8836","0.0002","90","","108.951","0.001","90","","1102.42","0.03","200","2","200","2","","","","","","","chemical synthesis","6","P 1 21 1","P 2yb","4","","(eta6-Benzene)dicarbonyl{P-bis(N-pyrrolyl)[2-(N,N-dimethylcarbamoyl)- pyrrolyl]phosphine}chromium(0)","","- C23 H23 Cr N4 O3 P -","- C23 H23 Cr N4 O3 P -","- C46 H46 Cr2 N8 O6 P2 -","2","1","","M. F. Semmelhack; Anatoly Chlenov; Douglas M. Ho","Accelerated Arene Ligand Exchange in the (Arene)Cr(CO)2L Series","Journal of the American Chemical Society","2005","127","","7759","7773","10.1021/ja042705x","","","0.71073","MoKα","","0.0585","0.0427","","0.1115","","0.1022","","","1.053","","","1.067","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111717","6.1482","0.0007","7.4742","0.0008","12.3697","0.0013","90","","95.089","0.002","90","","566.18","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H8 Cl4 N2 W -","- C5 H8 Cl4 N2 W -","- C10 H16 Cl8 N4 W2 -","2","1","","Omar J. Bchir; Kelly M. Green; Hiral M. Ajmera; Elizabeth A. Zapp; Timothy J. Anderson; Benjamin C. Brooks; Laurel L. Reitfort; David H. Powell; Khalil A. Abboud; Lisa McElwee-White","Tungsten Allylimido Complexes Cl4(RCN)W(NC3H5) as Single-Source CVD Precursors for WNxCyThin Films. Correlation of Precursor Fragmentation to Film Properties","Journal of the American Chemical Society","2005","127","","7825","7833","10.1021/ja043799d","","","0.71073","MoKα","","0.0469","0.0372","","","0.0883","0.0936","","","","","","1.047","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111718","10.2175","0.0008","10.217","","15.4618","0.0013","90","","90","","90","","1614.09","0.19","295","2","295","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C11 H8 Cu3 N3 S2 -","- C11 H8 Cu3 N3 S2 -","- C44 H32 Cu12 N12 S8 -","4","0.25","","Xian-Ming Zhang; Rui-Qin Fang; Hai-Shun Wu","A Twelve-Connected Cu6S4 Cluster-Based Coordination Polymer","Journal of the American Chemical Society","2005","127","","7670","7671","10.1021/ja050284t","","","0.71073","MoKα","","0.0384","0.0359","","","0.0942","0.0959","","","","","","1.038","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111719","12.0572","0.0014","18.3235","0.0017","20.0695","0.0018","90","","101.077","0.005","90","","4351.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 N2 Zr2 -","- C48 H72 N2 Zr2 -","- C192 H288 N8 Zr8 -","4","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0571","0.0354","","","0.0908","0.0977","","","","","","1.016","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111720","9.638","0.002","21.033","0.005","18.755","0.004","90","","103.166","0.004","90","","3702","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 I2 N2 Zr2 -","- C36 H54 I2 N2 Zr2 -","- C144 H216 I8 N8 Zr8 -","4","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0567","0.0356","","","0.0731","0.0786","","","","","","1.04","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111721","22.7229","0.0013","9.4395","0.0005","17.1227","0.001","90","","107.766","0.003","90","","3497.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Cl2 N2 Zr2 -","- C36 H54 Cl2 N2 Zr2 -","- C144 H216 Cl8 N8 Zr8 -","4","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0415","0.0277","","","0.0708","0.0748","","","","","","1.02","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111722","10.247","0.0004","10.4473","0.0005","11.0073","0.0005","84.16","0.001","65.265","0.001","71.607","0.001","1014.96","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H27 F3 N O3 S Zr -","- C19 H27 F3 N O3 S Zr -","- C38 H54 F6 N2 O6 S2 Zr2 -","2","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0692","0.0509","","","0.1047","0.1107","","","","","","1.011","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111723","9.8743","0.0007","11.2286","0.0008","11.5291","0.0009","64.17","0.001","68.031","0.001","80.648","0.001","1067.02","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N Zr -","- C25 H34 N Zr -","- C50 H68 N2 Zr2 -","2","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0439","0.0346","","","0.0812","0.0849","","","","","","1.027","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111724","11.9558","0.0004","14.8509","0.0005","14.1747","0.0005","90","","94.859","0.001","90","","2507.74","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 B11 Cl11 O2 -","- C7 H12 B11 Cl11 O2 -","- C28 H48 B44 Cl44 O8 -","4","1","","Evgenii S. Stoyanov; Stephan P. Hoffmann; Kee-Chan Kim; Fook S. Tham; Christopher A. Reed","The Structure of the H3O+ Hydronium Ion in Benzene","Journal of the American Chemical Society","2005","127","","7664","7665","10.1021/ja050401k","","","0.71073","MoKα","","0.0257","0.0211","","","0.0557","0.0582","","","","","","1.036","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111725","9.4895","0.0014","12.416","0.0017","17.999","0.003","73.906","0.003","80.344","0.003","75.092","0.003","1958.3","0.5","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 B11 Cl11 O -","- C25 H28 B11 Cl11 O -","- C50 H56 B22 Cl22 O2 -","2","1","","Evgenii S. Stoyanov; Stephan P. Hoffmann; Kee-Chan Kim; Fook S. Tham; Christopher A. Reed","The Structure of the H3O+ Hydronium Ion in Benzene","Journal of the American Chemical Society","2005","127","","7664","7665","10.1021/ja050401k","","","0.71073","MoKα","","0.0603","0.0373","","","0.0921","0.1082","","","","","","1.024","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111726","7.51","0.003","15.122","0.006","21.737","0.009","90","","90","","90","","2468.6","1.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-verticillyl p-iodobenzoate","(1S,3E,7E,11S,12S)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca- 3,7-dien-12-yl 4-iodobenzoate","","- C27 H37 I O2 -","- C27 H37 I O2 -","- C108 H148 I4 O8 -","4","1","","Yinghua Jin; David C. Williams; Rodney Croteau; Robert M. Coates","Taxadiene Synthase-Catalyzed Cyclization of 6-Fluorogeranylgeranyl Diphosphate to 7-Fluoroverticillenes","Journal of the American Chemical Society","2005","127","","7834","7842","10.1021/ja050592r","","","0.71073","MoKα","","0.0682","0.0325","","","0.0532","0.0592","","","","","","0.88","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111727","15.7131","0.0012","15.8159","0.0012","12.8624","0.0009","90","","101.421","0.002","90","","3133.2","0.4","243","2","243","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 P2 Ru -","- C36 H40 P2 Ru -","- C144 H160 P8 Ru4 -","4","1","","Hairong Guan; Masanori Iimura; Matthew P. Magee; Jack R. Norton; Guang Zhu","Ruthenium-Catalyzed Ionic Hydrogenation of Iminium Cations. Scope and Mechanism","Journal of the American Chemical Society","2005","127","","7805","7814","10.1021/ja0506861","","","0.71073","MoKα","","0.0499","0.03","","","0.0709","0.0759","","","","","","1.036","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111728","17.6272","0.001","11.2434","0.0006","13.457","0.0007","90","","90","","90","","2667","0.2","243","2","243","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H32 P2 Ru -","- C32 H32 P2 Ru -","- C128 H128 P8 Ru4 -","4","1","","Hairong Guan; Masanori Iimura; Matthew P. Magee; Jack R. Norton; Guang Zhu","Ruthenium-Catalyzed Ionic Hydrogenation of Iminium Cations. Scope and Mechanism","Journal of the American Chemical Society","2005","127","","7805","7814","10.1021/ja0506861","","","0.71073","MoKα","","0.0232","0.0217","","","0.0555","0.0563","","","","","","1.053","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111729","15.324","0.003","27.519","0.005","15.849","0.003","90","","115.333","0.003","90","","6041","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(K-crypt)4(Pd2@Ge18)*2tol","","- C86 H160 Ge18 K4 N8 O24 Pd2 -","- C86 H160 Ge18 K4 N8 O24 Pd2 -","- C172 H320 Ge36 K8 N16 O48 Pd4 -","2","0.5","","Jose M. Goicoechea; Slavi C. Sevov","[(Pd-Pd)@Ge18]4-: A Palladium Dimer Inside the Largest Single-Cage Deltahedron","Journal of the American Chemical Society","2005","127","","7676","7677","10.1021/ja051224q","","","0.71073","MoKα","","0.0779","0.0497","","","0.1202","0.1328","","","","","","1.024","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4111730","22.764","0.005","19.015","0.004","29.285","0.006","90","","104.78","0.03","90","","12257","5","153","1","153","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H112 Br8 Cl N8 O31 Tb3 -","- C97 H66 Br8 Cl N8 O31 Tb3 -","- C388 H264 Br32 Cl4 N32 O124 Tb12 -","4","1","","Xiaoping Yang; Richard A. Jones","Anion Dependent Self-Assembly of ""Tetra-Decker"" and ""Triple-Decker"" Luminescent Tb(III) Salen Complexes","Journal of the American Chemical Society","2005","127","","7686","7687","10.1021/ja051292c","","","0.71073","MoKα","","0.2148","0.0845","","","0.1694","0.2178","","","","","","0.976","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111731","20.211","0.004","22.089","0.004","20.519","0.004","90","","114.69","0.03","90","","8323","3","153","1","153","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H78 Br6 Cl N6 O20 Tb3 -","- C78 H72 Br6 Cl N6 O20 Tb3 -","- C312 H288 Br24 Cl4 N24 O80 Tb12 -","4","1","","Xiaoping Yang; Richard A. Jones","Anion Dependent Self-Assembly of ""Tetra-Decker"" and ""Triple-Decker"" Luminescent Tb(III) Salen Complexes","Journal of the American Chemical Society","2005","127","","7686","7687","10.1021/ja051292c","","","0.71073","MoKα","","0.1851","0.0814","","","0.1519","0.1899","","","","","","1.015","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111732","11.38","0.003","12.774","0.003","20.598","0.006","97.506","0.005","100.016","0.006","111.15","0.003","2688.4","1.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C61.5 H64 Bi2 Zr -","- C61.5 H63.5 Bi2 Zr -","- C123 H127 Bi4 Zr2 -","2","1","","Yuzhong Wang; Brandon Quillian; Xiao-Juan Yang; Pingrong Wei; Zhongfang Chen; Chaitanya S. Wannere; Paul V. R. Schleyer; Gregory H. Robinson","A Metallocene-Complexed Dibismuthene: Cp2Zr(BiR)2 (Cp = C5H5; R = C6H3-2,6-Mes2)","Journal of the American Chemical Society","2005","127","","7672","7673","10.1021/ja051704h","","","0.71073","MoKα","","0.0767","0.0453","","","0.0841","0.0935","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111733","19.3","0.004","9.2553","0.0018","25.467","0.005","90","","90","","90","","4549.1","1.6","218","2","218","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H26 B N4 -","- C30 H26 B N4 -","- C240 H208 B8 N32 -","8","1","","Swadhin K. Mandal; Mikhail E. Itkis; Xiaoliu Chi; Satyabrata Samanta; David Lidsky; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","New Family of Aminophenalenyl-Based Neutral Radical Molecular Conductors: Synthesis, Structure, and Solid State Properties","Journal of the American Chemical Society","2005","127","","8185","8196","10.1021/ja0502728","","","0.71073","MoKα","","0.0788","0.0443","","","0.0948","0.1209","","","","","","1.03","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111734","14.293","0.006","19.354","0.008","9.355","0.004","90","","103.517","0.014","90","","2516.2","1.8","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B N4 -","- C32 H30 B N4 -","- C128 H120 B4 N16 -","4","1","","Swadhin K. Mandal; Mikhail E. Itkis; Xiaoliu Chi; Satyabrata Samanta; David Lidsky; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","New Family of Aminophenalenyl-Based Neutral Radical Molecular Conductors: Synthesis, Structure, and Solid State Properties","Journal of the American Chemical Society","2005","127","","8185","8196","10.1021/ja0502728","","","0.71073","MoKα","","0.1127","0.0599","","","0.1397","0.1619","","","","","","1.031","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111735","13.519","0.003","16.22","0.004","15.878","0.004","90","","112.008","0.006","90","","3228","1.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 B N4 -","- C40 H46 B N4 -","- C160 H184 B4 N16 -","4","1","","Swadhin K. Mandal; Mikhail E. Itkis; Xiaoliu Chi; Satyabrata Samanta; David Lidsky; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","New Family of Aminophenalenyl-Based Neutral Radical Molecular Conductors: Synthesis, Structure, and Solid State Properties","Journal of the American Chemical Society","2005","127","","8185","8196","10.1021/ja0502728","","","0.71073","MoKα","","0.0954","0.0568","","","0.1396","0.1721","","","","","","1.061","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111736","19.777","0.004","10.4","0.002","35.503","0.007","90","","90","","90","","7302","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H56 Li2 N2 O2 Si2 -","- C34 H56 Li2 N2 O2 Si2 -","- C272 H448 Li16 N16 O16 Si16 -","8","2","","Carsten Strohmann; Daniel Schildbach; Dominik Auer","Selective Si-C Bond Cleavage as Synthetic Entry to a Functionalized Lithiosilane","Journal of the American Chemical Society","2005","127","","7968","7969","10.1021/ja050360s","","","0.71073","MoKα","","0.1163","0.0801","","","0.1663","0.1829","","","","","","1.02","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111737","25.083","0.01","36.373","0.015","5.759","0.002","90","","90","","90","","5254","4","120","2","120","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C224 H288 O80 -","16","1","","Christopher J. Mortko; Miguel A. Garcia-Garibay","Green Chemistry Strategies Using Crystal-to-Crystal Photoreactions: Stereoselective Synthesis and Decarbonylation of trans-α,α'-Dialkenoylcyclohexanones","Journal of the American Chemical Society","2005","127","","7994","7995","10.1021/ja0508166","","","0.71073","MoKα","","0.0374","0.0312","","","0.0752","0.0777","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111738","10.1079","0.0016","7.5164","0.0011","16.973","0.003","90","","95.996","0.002","90","","1282.5","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Christopher J. Mortko; Miguel A. Garcia-Garibay","Green Chemistry Strategies Using Crystal-to-Crystal Photoreactions: Stereoselective Synthesis and Decarbonylation of trans-α,α'-Dialkenoylcyclohexanones","Journal of the American Chemical Society","2005","127","","7994","7995","10.1021/ja0508166","","","0.71073","MoKα","","0.1098","0.0983","","","0.2215","0.2258","","","","","","1.151","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111739","11.427","0.006","24.541","0.015","19.626","0.011","90","","90.29","0.02","90","","5504","5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H11 Au F30 N6 -","- C66 H11 Au F30 N6 -","- C264 H44 Au4 F120 N24 -","4","1","","Shigeki Mori; Atsuhiro Osuka","Aromatic and Antiaromatic Gold(III) Hexaphyrins with Multiple Gold-Carbon Bonds","Journal of the American Chemical Society","2005","127","","8030","8031","10.1021/ja051662x","","","0.71075","MoKα","","0.1328","0.0526","","","0.0886","0.0976","","","","","","0.784","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111740","17.983","0.007","26.93","0.01","28.196","0.01","90","","90","","90","","13655","9","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H8 Au2 Cl2 F30 N6 -","- C74 H8 Au2 Cl2 F30 N6 -","- C592 H64 Au16 Cl16 F240 N48 -","8","1","","Shigeki Mori; Atsuhiro Osuka","Aromatic and Antiaromatic Gold(III) Hexaphyrins with Multiple Gold-Carbon Bonds","Journal of the American Chemical Society","2005","127","","8030","8031","10.1021/ja051662x","","","0.71073","MoKα","","0.076","0.0507","","","0.1277","0.1451","","","","","","1.081","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111741","8.5611","0.0002","15.5772","0.0004","18.1567","0.0006","75.3201","0.0012","81.349","0.0011","80.6678","0.0012","2296.09","0.11","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H68 Si2 -","- C54 H68 Si2 -","- C108 H136 Si4 -","2","1","","Marcia M. Payne; Sean R. Parkin; John E. Anthony","Functionalized Higher Acenes: Hexacene and Heptacene","Journal of the American Chemical Society","2005","127","","8028","8029","10.1021/ja051798v","","","0.71073","MoKα","","0.1042","0.0547","","","0.1213","0.1392","","","","","","1.016","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111742","9.2305","0.0004","24.6811","0.0013","25.4062","0.0012","94.319","0.003","95.069","0.003","91.02","0.003","5747.3","0.5","200","0.2","200","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H70 Si8 -","- C52 H70 Si8 -","- C208 H280 Si32 -","4","2","","Marcia M. Payne; Sean R. Parkin; John E. Anthony","Functionalized Higher Acenes: Hexacene and Heptacene","Journal of the American Chemical Society","2005","127","","8028","8029","10.1021/ja051798v","","","1.54178","CuKα","","0.1598","0.0806","","","0.1848","0.2283","","","","","","1.018","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111743","14.2394","0.0004","31.381","0.002","14.2878","0.0007","90","","118.214","0.002","90","","5625.9","0.5","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C100 H136 Cu2 F12 N8 O28 S4 -","- C94 H124 Cu2 F12 N8 O28 S4 -","- C188 H248 Cu4 F24 N16 O56 S8 -","2","1","","J. Frantz Folmer-Andersen; Vincent M. Lynch; Eric V. Anslyn","Colorimetric Enantiodiscrimination of α-Amino Acids in Protic Media","Journal of the American Chemical Society","2005","127","","7986","7987","10.1021/ja052029e","","","0.71073","MoKα","","0.23","0.1046","","","0.1563","0.1772","","","","","","1.337","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111744","12.503","0.002","11.806","0.002","8.403","0.0014","90","","94.954","0.004","90","","1235.7","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0829","0.0469","","","0.109","0.1256","","","","","","0.854","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111745","9.0299","0.0017","9.5091","0.0018","9.0299","0.0017","90","","112.32","","90","","717.3","0.2","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O2 -","- C16 H20 N O2 -","- C32 H40 N2 O4 -","2","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0649","0.0589","","","0.1501","0.1562","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111746","9.0707","0.0014","9.0707","0.0014","32.245","0.009","90","","90","","90","","2653","0.9","193","2","193","2","","","","","","","","4","P 43","P 4cw","78","","","","- C12.44 H16.89 N0.89 O1.78 -","- C12.4444 H16.8889 N0.888889 O1.77778 -","- C112 H152 N8 O16 -","9","2.25","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.2038","0.0383","","","0.0384","0.0709","","","","","","0.613","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111747","9.641","0.002","14.903","0.003","9.119","0.0019","90","","90","","90","","1310.2","0.5","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0864","0.0827","","","0.1459","0.1471","","","","","","1.434","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111748","8.4126","0.0016","9.7041","0.0018","8.6749","0.0016","90","","110.046","0.005","90","","665.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C28 H38 N2 O4 -","2","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0356","0.0348","","","0.095","0.0961","","","","","","1.05","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111749","13.922","0.003","15.656","0.004","16.346","0.004","90","","93.357","0.005","90","","3556.7","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H63 Hg0.5 Mo N O2 Si2 -","- C28 H63 Hg0.5 Mo N O2 Si2 -","- C112 H252 Hg2 Mo4 N4 O8 Si8 -","4","1","","Devon C. Rosenfeld; Peter T. Wolczanski; Khaldoon A. Barakat; Corneliu Buda; Thomas R. Cundari","3-Center-4-Electron Bonding in [(silox)2MoNtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate","Journal of the American Chemical Society","2005","127","","8262","8263","10.1021/ja051070e","","","0.71073","MoKα","","0.068","0.038","","","0.0805","0.0887","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111750","14.4602","0.0009","14.2263","0.0006","26.795","0.002","90","","94.999","0.006","90","","5491.2","0.6","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H82 Mn2 N4 -","- C58 H82 Mn2 N4 -","- C232 H328 Mn8 N16 -","4","1","","Jianfang Chai; Hongping Zhu; A. Claudia Stückl; Herbert W. Roesky; Jörg Magull; Alessandro Bencini; Andrea Caneschi; Dante Gatteschi","Synthesis and Reaction of [{HC(CMeNAr)2}Mn]2 (Ar = 2,6-iPr2C6H3): The Complex Containing Three-Coordinate Manganese(I) with a Mn-Mn Bond Exhibiting Unusual Magnetic Properties and Electronic Structure","Journal of the American Chemical Society","2005","127","","9201","9206","10.1021/ja042269e","","","0.71073","MoKα","","0.0716","0.0414","","","0.0781","0.0825","","","","","","0.953","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111751","15.4921","0.0012","16.3958","0.0009","21.3688","0.0017","90","","90.802","0.006","90","","5427.3","0.7","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H82 Mn2 N4 O2 -","- C58 H82 Mn2 N4 O2 -","- C232 H328 Mn8 N16 O8 -","4","0.5","","Jianfang Chai; Hongping Zhu; A. Claudia Stückl; Herbert W. Roesky; Jörg Magull; Alessandro Bencini; Andrea Caneschi; Dante Gatteschi","Synthesis and Reaction of [{HC(CMeNAr)2}Mn]2 (Ar = 2,6-iPr2C6H3): The Complex Containing Three-Coordinate Manganese(I) with a Mn-Mn Bond Exhibiting Unusual Magnetic Properties and Electronic Structure","Journal of the American Chemical Society","2005","127","","9201","9206","10.1021/ja042269e","","","0.71073","MoKα","","0.0664","0.0421","","","0.0873","0.0962","","","","","","1.024","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111752","8.201","0.0008","22.308","0.002","24.79","0.002","90","","90","","90","","4535.3","0.7","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H68 N6 O8 -","- C44 H68 N6 O8 -","- C176 H272 N24 O32 -","4","1","","Monika Mazik; Hüseyin Cavga; Peter G. Jones","Molecular Recognition of Carbohydrates with Artificial Receptors: Mimicking the Binding Motifs Found in the Crystal Structures of Protein-Carbohydrate Complexes","Journal of the American Chemical Society","2005","127","","9045","9052","10.1021/ja043037i","","","0.71073","MoKα","","0.1091","0.0643","","","0.1357","0.1519","","","","","","0.982","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111753","8.4195","0.0014","13.515","0.002","14.38","0.002","105.375","0.008","95.393","0.008","92.464","0.008","1566.8","0.4","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H45 N9 O -","- C32 H45 N9 O -","- C64 H90 N18 O2 -","2","1","","Monika Mazik; Hüseyin Cavga; Peter G. Jones","Molecular Recognition of Carbohydrates with Artificial Receptors: Mimicking the Binding Motifs Found in the Crystal Structures of Protein-Carbohydrate Complexes","Journal of the American Chemical Society","2005","127","","9045","9052","10.1021/ja043037i","","","0.71073","MoKα","","0.1245","0.0623","","","0.136","0.1558","","","","","","0.89","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111754","12.8296","0.0014","13.624","0.0014","14.112","0.0014","118.715","0.004","105.839","0.004","100.505","0.004","1932.2","0.4","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C76 H112 N18 O7 -","- C76 H112 N18 O7 -","- C76 H112 N18 O7 -","1","1","","Monika Mazik; Hüseyin Cavga; Peter G. Jones","Molecular Recognition of Carbohydrates with Artificial Receptors: Mimicking the Binding Motifs Found in the Crystal Structures of Protein-Carbohydrate Complexes","Journal of the American Chemical Society","2005","127","","9045","9052","10.1021/ja043037i","","","0.71073","MoKα","","0.0693","0.0465","","","0.0977","0.1063","","","","","","0.947","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111755","10.3141","0.0003","13.1178","0.0004","17.064","0.001","93.178","0.002","94.933","0.002","95.508","0.002","2284.83","0.17","183.2","","183.2","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H60 N3 O2 -","- C61 H62 N3 O2 -","- C122 H124 N6 O4 -","2","1","","X. Z. Yan; J. Pawlas; T. Goodson; J. F. Hartwig","Polaron Delocalization in Ladder Macromolecular Systems","Journal of the American Chemical Society","2005","127","","9105","9116","10.1021/ja050184n","","","0.7107","MoKalpha","","","0.0606","","","0.0775","","","","","3.501","3.501","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111756","7.328","0.002","7.328","0.002","16.795","0.006","90","","90","","120","","781.1","0.4","183","2","183","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","plumbojarosite","lead triiron(iii)bis(sulfate)hexahyrdoxide","","- Fe3 H6 O14 Pb0.5 S2 -","- Fe3 H6 O14 Pb0.5 S2 -","- Fe9 H18 O42 Pb1.5 S6 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0297","0.0268","","","0.0538","0.0552","","","","","","1.19","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111757","7.33","0.0009","7.33","0.0009","16.497","0.003","90","","90","","120","","767.62","0.19","183","2","183","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","argentojarosite","silver triiron(iii)bis(sulfate)hexahyrdoxide","","- Ag Fe3 H6 O14 S2 -","- Ag Fe3 H6 O14 S2 -","- Ag3 Fe9 H18 O42 S6 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0259","0.0255","","","0.0642","0.0644","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111758","7.3226","0.0007","7.3226","0.0007","17.61","0.002","90","","90","","120","","817.75","0.14","183","2","183","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","thallium jarosite","thallium triiron(iii)bis(sulfate)hexahyrdoxide","","- Fe3 H6 O14 S2 Tl -","- Fe3 H12 O14 S2 Tl -","- Fe9 H36 O42 S6 Tl3 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0207","0.0207","","","0.0546","0.0546","","","","","","1.292","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111759","7.3902","0.0009","7.3902","0.0009","17.498","0.003","90","","90","","120","","827.6","0.2","183","2","183","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","potassium triiron(iii)bis(selenate)hexahyrdoxide","","- Fe3 H6 K O14 Se2 -","- Fe3 H6 K O14 Se2 -","- Fe9 H18 K3 O42 Se6 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0374","0.0367","","","0.0781","0.0786","","","","","","1.245","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111760","7.4022","0.0016","7.4022","0.0016","17.816","0.005","90","","90","","120","","845.4","0.4","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","rubidium triiron(iii)bis(sulfate)hexahyrdoxide","","- Fe3 H6 O14 Rb Se2 -","- Fe3 H6 O14 Rb Se2 -","- Fe9 H18 O42 Rb3 Se6 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0162","0.0156","","","0.0433","0.0436","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111761","20","0.004","20","0.004","71.74","0.02","90","","90","","120","","24851","10","93.1","","","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C84 H187 N41 O56 Ru Zn6 -","- C84 H144 N39 O50 Ru Zn6 -","- C504 H864 N234 O300 Ru6 Zn36 -","6","0.5","","Shin Aoki; Mohd Zulkefeli; Motoo Shiro; Masanori Kohsako; Kei Takeda; Eiichi Kimura","A Luminescence Sensor of Inositol 1,4,5-Triphosphate and Its Model Compound by Ruthenium-Templated Assembly of a Bis(Zn2±Cyclen) Complex Having a 2,2'-Bipyridyl Linker (Cyclen = 1,4,7,10-Tetraazacyclododecane)","Journal of the American Chemical Society","2005","127","","9129","9139","10.1021/ja050876b","","","1.54175","CuKα","","","0.133","","","","0.366","","","","","","1.157","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111762","7.6487","0.0013","14.877","0.003","16.803","0.003","90","","90","","90","","1912","0.6","119","","119","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O -","- C22 H30 N2 O -","- C88 H120 N8 O4 -","4","1","","Szilárd Csihony; Darcy A. Culkin; Alan C. Sentman; Andrew P. Dove; Robert M. Waymouth; James L. Hedrick","Single-Component Catalyst/Initiators for the Organocatalytic Ring-Opening Polymerization of Lactide","Journal of the American Chemical Society","2005","127","","9079","9084","10.1021/ja050909n","","","0.71073","MoKα","","0.0699","0.0471","","","0.1088","0.122","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111763","19.117","0.004","10.657","0.002","17.412","0.004","90","","94.24","0.03","90","","3537.6","1.3","20","","20","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","","0.394","synchrotron","","0.1337","0.0841","","","0.2229","0.2724","","","","","","1.069","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111764","19.042","0.004","10.657","0.002","17.324","0.004","90","","94.27","0.03","90","","3505.8","1.3","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.1016","0.0517","","","0.126","0.206","","","","","","1.203","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111765","19.0378","0.0004","10.6843","0.0002","17.3365","0.0004","90","","94.332","0.001","90","","3516.27","0.13","125","","125","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0926","0.0508","","","0.1281","0.2044","","","","","","1.201","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111766","19.0605","0.0004","10.6978","0.0002","17.3234","0.0004","90","","94.324","0.001","90","","3522.28","0.13","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0908","0.051","","","0.1308","0.2073","","","","","","1.21","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111767","19.077","0.0004","10.728","0.0002","17.326","0.0004","90","","94.355","0.001","90","","3535.67","0.13","175","","175","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0914","0.0505","","","0.1261","0.2005","","","","","","1.195","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111768","19.0867","0.0004","10.7531","0.0002","17.322","0.0004","90","","94.392","0.001","90","","3544.75","0.13","200","","200","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0915","0.0487","","","0.129","0.2037","","","","","","1.245","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111769","19.0977","0.0004","10.7768","0.0002","17.3233","0.0004","90","","94.45","0.001","90","","3554.6","0.13","225","","225","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0911","0.0473","","","0.1246","0.1934","","","","","","1.228","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111770","19.0942","0.0004","10.7964","0.0003","17.3098","0.0004","90","","94.496","0.001","90","","3557.41","0.15","250","","250","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0915","0.0458","","","0.1248","0.1905","","","","","","1.238","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111771","19.1084","0.0005","10.8267","0.0003","17.31","0.0004","90","","94.551","0.001","90","","3569.82","0.16","275","","275","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0908","0.0454","","","0.1186","0.1799","","","","","","1.192","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111772","19.1115","0.0005","10.8542","0.0003","17.2982","0.0004","90","","94.603","0.001","90","","3576.77","0.16","300","","300","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0895","0.0439","","","0.1191","0.1716","","","","","","1.192","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111773","19.1076","","10.6527","","17.3907","","90","","94.172","","90","","3530.45","","20","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn2.5 N2 O14 -","- C136 H136 Mn10 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","","0.394","Synchrotron","","0.0648","0.0378","","","","0.074","","","","","","0.632","","","","has coordinates","192344","2020-10-21","18:00:00",""
"4111774","10.9696","0.0009","11.216","0.001","19.9887","0.0018","74.715","0.002","76.962","0.002","67.327","0.002","2167.6","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H52 N2 P2 Ru -","- C53 H52 N2 P2 Ru -","- C106 H104 N4 P4 Ru2 -","2","1","","Christine Bibal; Yegor D. Smurnyy; Maren Pink; Kenneth G. Caulton","Exceptionally Facile CO Addition to a Saturated Ruthenium Complex","Journal of the American Chemical Society","2005","127","","8944","8945","10.1021/ja051296h","","","0.71073","MoKα","","0.0318","0.0264","","","0.0703","0.0735","","","","","","1.051","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4111775","14.1027","0.0013","15.1314","0.0014","20.8888","0.0019","90","","90","","90","","4457.5","0.7","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53.29 H52.71 N2 O1.36 P2 Ru -","- C53.29 H52.71 N2 O1.355 P2 Ru -","- C213.16 H210.84 N8 O5.42 P8 Ru4 -","4","1","","Christine Bibal; Yegor D. Smurnyy; Maren Pink; Kenneth G. Caulton","Exceptionally Facile CO Addition to a Saturated Ruthenium Complex","Journal of the American Chemical Society","2005","127","","8944","8945","10.1021/ja051296h","","","0.71073","MoKα","","0.0339","0.0301","","","0.0717","0.0748","","","","","","1.104","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4111776","10.42","0.002","11.869","0.002","18.348","0.004","89.164","0.003","87.914","0.003","73.491","0.003","2174.2","0.7","153","2","153","2","","","","","","","","4","P -1","-P 1","2","trimer","1-(5-(2-(3,5-dimethyl-2-thienyl)hexafluorocyclopententen- 1-yl)-2,4-dimethyl-3-thienyl)-2-(5-(2-(2,4-dimethyl-5- phenyl-3-thienyl)hexafluorocyclopentene-1-yl)-2,4-dimethyl- 3-thienyl)hexafluorocyclopentene","","- C45 H30 F18 S4 -","- C45 H30 F18 S4 -","- C90 H60 F36 S8 -","2","1","","Kenji Higashiguchi; Kenji Matsuda; Naoki Tanifuji; Masahiro Irie","Full-Color Photochromism of a Fused Dithienylethene Trimer","Journal of the American Chemical Society","2005","127","","8922","8923","10.1021/ja051467i","","","0.71073","MoKα","","0.1064","0.0639","","","0.1966","0.2417","","","","","","0.844","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111777","10.4196","0.0032","13.1815","0.004","15.9818","0.0045","95.573","0.003","103.307","0.001","112.526","0.004","1930.8","1","173.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H36 Fe N3 Ni O2 P S4 -","- C36 H36 Fe N3 Ni O2 P S4 -","- C72 H72 Fe2 N6 Ni2 O4 P2 S8 -","2","1","","Zilong Li; Yasuhiro Ohki; Kazuyuki Tatsumi","Dithiolato-Bridged Dinuclear Iron-Nickel Complexes [Fe(CO)2(CN)2(μ-SCH2CH2CH2S)Ni(S2CNR2)]-Modeling the Active Site of [NiFe] Hydrogenase","Journal of the American Chemical Society","2005","127","","8950","8951","10.1021/ja051590+","","","0.7107","MoKα","","","0.0462","","","","0.0777","","","","","","1.79","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111778","13.0487","0.0038","16.8085","0.0037","19.9536","0.0041","65.103","0.011","74.969","0.01","89.502","0.014","3808.6","1.7","173.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C74 H72 Fe2 N6 Ni2 O4 P2 S8 -","- C74 H72 Fe2 N6 Ni2 O4 P2 S8 -","- C148 H144 Fe4 N12 Ni4 O8 P4 S16 -","2","1","","Zilong Li; Yasuhiro Ohki; Kazuyuki Tatsumi","Dithiolato-Bridged Dinuclear Iron-Nickel Complexes [Fe(CO)2(CN)2(μ-SCH2CH2CH2S)Ni(S2CNR2)]-Modeling the Active Site of [NiFe] Hydrogenase","Journal of the American Chemical Society","2005","127","","8950","8951","10.1021/ja051590+","","","0.7107","MoKα","","","0.0426","","","","0.0574","","","","","","1.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111779","13.56","0.002","17.953","0.002","20.181","0.002","65.233","0.004","77.021","0.004","86.502","0.005","4344","0.9","173.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C94 H88 Fe2 K N4 O6 P3 S4 -","- C94 H88 Fe2 K N4 O6 P3 S4 -","- C188 H176 Fe4 K2 N8 O12 P6 S8 -","2","1","","Zilong Li; Yasuhiro Ohki; Kazuyuki Tatsumi","Dithiolato-Bridged Dinuclear Iron-Nickel Complexes [Fe(CO)2(CN)2(μ-SCH2CH2CH2S)Ni(S2CNR2)]-Modeling the Active Site of [NiFe] Hydrogenase","Journal of the American Chemical Society","2005","127","","8950","8951","10.1021/ja051590+","","","0.7107","MoKα","","","0.0459","","","","0.0652","","","","","","1.464","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111780","11.7291","0.0011","15.5341","0.0014","15.7892","0.0014","106.088","0.002","109.458","0.002","104.263","0.002","2417.3","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H148 Na2 O20 V2 -","- C92 H148 Na2 O20 V2 -","- C92 H148 Na2 O20 V2 -","1","0.5","","Cindy-Xing Yin; Richard G. Finke","Vanadium-Based, Extended Catalytic Lifetime Catechol Dioxygenases: Evidence for a Common Catalyst","Journal of the American Chemical Society","2005","127","","9003","9013","10.1021/ja051594e","","","0.71073","MoKα","","0.1047","0.0627","","","0.165","0.1897","","","","","","1.036","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111781","11.747","0.003","12.235","0.003","20.608","0.006","83.463","0.005","73.939","0.005","75.432","0.004","2751.6","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H80 N2 O4 Zn -","- C56 H80 N2 O4 Zn -","- C112 H160 N4 O8 Zn2 -","2","1","","Cindy-Xing Yin; Richard G. Finke","Vanadium-Based, Extended Catalytic Lifetime Catechol Dioxygenases: Evidence for a Common Catalyst","Journal of the American Chemical Society","2005","127","","9003","9013","10.1021/ja051594e","","","0.71073","MoKα","","0.0951","0.06","","","0.1444","0.1687","","","","","","1.028","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111782","6.0667","0.0009","6.0667","0.0009","6.0667","0.0009","90","","90","","90","","223.28","0.06","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ag Sb Te2 -","- Ag1.005 Sb0.995 Te2 -","- Ag2.01 Sb1.99 Te4 -","2","0.0416667","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0498","0.043","","","0.1687","0.181","","","","","","1.139","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111783","4.2898","0.0006","4.2898","0.0006","6.0667","0.0012","90","","90","","90","","111.64","0.03","293","2","293","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Ag Sb Te2 -","- Ag Sb Te2 -","- Ag Sb Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0353","0.0279","","","0.0831","0.0896","","","","","","1.124","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111784","4.2898","0.0006","4.2898","0.0006","21.016","0.004","90","","90","","120","","334.93","0.09","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ag Sb Te2 -","- Ag Sb Te2 -","- Ag3 Sb3 Te6 -","3","0.0833333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0434","0.0284","","","0.0938","0.1127","","","","","","1.107","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111785","6.2173","0.0008","6.2173","0.0008","6.2173","0.0008","90","","90","","90","","240.33","0.05","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag1.33 Pb1.33 Sb1.33 Te4 -","- Ag1.35 Pb1.33 Sb1.32 Te4 -","- Ag1.35 Pb1.33 Sb1.32 Te4 -","1","0.0208333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0425","0.0157","","","0.0477","0.0577","","","","","","1.185","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111786","4.3963","0.0006","4.3963","0.0006","6.2173","0.0012","90","","90","","90","","120.16","0.03","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.67 Pb0.67 Sb0.67 Te2 -","- Ag0.67 Pb0.66 Sb0.67 Te2 -","- Ag0.67 Pb0.66 Sb0.67 Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0307","0.0112","","","0.0323","0.043","","","","","","1.028","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111787","6.4173","0.0008","6.4173","0.0008","6.4173","0.0008","90","","90","","90","","264.28","0.06","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag0.5 Pb3 Sb0.5 Te4 -","- Ag0.5 Pb3.01 Sb0.49 Te4 -","- Ag0.5 Pb3.01 Sb0.49 Te4 -","1","0.0208333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0629","0.0273","","","0.054","0.0766","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111788","4.5377","0.0006","4.5377","0.0006","6.4173","0.0013","90","","90","","90","","132.14","0.04","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.25 Pb1.5 Sb0.25 Te2 -","- Ag0.25 Pb1.5 Sb0.25 Te2 -","- Ag0.25 Pb1.5 Sb0.25 Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0431","0.0247","","","0.0495","0.0593","","","","","","1.194","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111789","6.428","0.0011","6.428","0.0011","6.428","0.0011","90","","90","","90","","265.6","0.08","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag0.38 Pb3.23 Sb0.38 Te4 -","- Ag0.38 Pb3.24 Sb0.38 Te4 -","- Ag0.38 Pb3.24 Sb0.38 Te4 -","1","0.0208333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0486","0.0262","","","0.075","0.09","","","","","","1.287","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111790","4.5453","0.0006","4.5453","0.0006","6.428","0.0013","90","","90","","90","","132.8","0.04","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.19 Pb1.62 Sb0.19 Te2 -","- Ag0.19 Pb1.62 Sb0.19 Te2 -","- Ag0.19 Pb1.62 Sb0.19 Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0331","0.0237","","","0.073","0.0792","","","","","","1.219","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111791","6.4404","0.0012","6.4404","0.0012","6.4404","0.0012","90","","90","","90","","267.14","0.09","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag0.25 Pb3.5 Sb0.25 Te4 -","- Ag0.25 Pb3.5 Sb0.25 Te4 -","- Ag0.25 Pb3.5 Sb0.25 Te4 -","1","0.0208333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0492","0.0208","","","0.0472","0.0628","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111792","4.5538","0.0006","4.5538","0.0006","6.4404","0.0014","90","","90","","90","","133.56","0.04","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.13 Pb1.75 Sb0.13 Te2 -","- Ag0.12 Pb1.75 Sb0.12 Te2 -","- Ag0.12 Pb1.75 Sb0.12 Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0335","0.0209","","","0.0469","0.0545","","","","","","1.061","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111793","10.595","0.006","18.095","0.004","16.82","0.003","90","","96.04","0.02","90","","3207","2","125.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H45 P S -","- C37 H45 P S -","- C148 H180 P4 S4 -","4","1","","Fumiki Murakami; Shigeru Sasaki; Masaaki Yoshifuji","Phosphaquinomethane and Phosphathienoquinomethanes, and Their Anion Radicals","Journal of the American Chemical Society","2005","127","","8926","8927","10.1021/ja052271l","","","0.7107","MoKα","","","0.0351","","","","0.0478","","","","","","1.342","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111794","12.224","0.002","8.8408","0.0015","13.842","0.002","90","","111.607","0.003","90","","1390.8","0.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H41 N O6 Si -","- C26 H41 N O6 Si -","- C52 H82 N2 O12 Si2 -","2","1","","Leleti Rajender Reddy; Jean-François Fournier; B. V. Subba Reddy; E. J. Corey","An Efficient, Stereocontrolled Synthesis of a Potent Omuralide-Salinosporin Hybrid for Selective Proteasome Inhibition","Journal of the American Chemical Society","2005","127","","8974","8976","10.1021/ja052376o","","","0.71073","MoKα","","0.0805","0.0759","","","0.1794","0.1824","","","","","","1.169","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111795","10.2343","0.0005","19.118","0.001","20.9287","0.001","67.553","0.003","86.753","0.003","83.63","0.003","3760.8","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C97 H105 Cd3 Cl12 N9 O21 -","- C100 H48 Cd3 Cl12 N7.5 O15.5 -","- C100 H48 Cd3 Cl12 N7.5 O15.5 -","1","1","","Chuan-De Wu; Aiguo Hu; Lin Zhang; Wenbin Lin","A Homochiral Porous Metal-Organic Framework for Highly Enantioselective Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2005","127","","8940","8941","10.1021/ja052431t","","","0.71073","MoKα","","0.12","0.0827","","","0.222","0.2582","","","","","","1.079","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111796","20.059","0.005","4.8678","0.0011","16.912","0.004","90","","115.89","0.004","90","","1485.6","0.6","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","David A. Evans; Keith R. Fandrick; Hyun-Ji Song","Enantioselective Friedel-Crafts Alkylations of α,β-Unsaturated 2-Acyl Imidazoles Catalyzed by Bis(oxazolinyl)pyridine-Scandium(III) Triflate Complexes","Journal of the American Chemical Society","2005","127","","8942","8943","10.1021/ja052433d","","","0.71073","MoKα","","0.0824","0.0593","","","0.1188","0.1299","","","","","","1.117","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111797","8.3411","0.0003","11.494","0.001","17.698","0.001","90","","92.327","0.002","90","","1695.35","0.19","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Hang Yin; Gui-in Lee; Kristine A. Sedey; Olaf Kutzki; Hyung Soon Park; Brendan P. Orner; Justin T. Ernst; Hong-Gang Wang; Said M. Sebti; Andrew D. Hamilton","Terphenyl-Based Bak BH3 α-Helical Proteomimetics as Low-Molecular-Weight Antagonists of Bcl-xL","Journal of the American Chemical Society","2005","127","","10191","10196","10.1021/ja050122x","","","0.7107","MoKalpha","","","0.0496","","","0.0621","","","","","2.828","2.828","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111798","12.916","0.002","13.027","0.002","21.059","0.005","101.03","0.05","100.74","0.05","91.62","0.05","3409.4","1.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H68 Fe2 Hg O12 P4 Pt Si2 -","- C68 H68 Fe2 Hg O12 P4 Pt Si2 -","- C136 H136 Fe4 Hg2 O24 P8 Pt2 Si4 -","2","1","","Walter Schuh; Pierre Braunstein; Marc Bénard; Marie-Madeleine Rohmer; Richard Welter","Metal ""Capture"" by a Heterotrimetalloligand, Heterometallic d10-d10 Interactions, and Unexpected Iron-to-Platinum Silyl Ligand Migration: a Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2005","127","","10250","10258","10.1021/ja051389z","","","0.71069","MoKα","","0.0547","0.036","","","0.0897","0.0959","","","","","","1.024","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111799","4.88","0.01","5.75","0.01","29.07","0.05","94.01","0.09","90.78","0.08","105.03","0.09","785","3","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 N4 S4 -","- C18 H8 N4 S4 -","- C36 H16 N8 S8 -","2","1","","Naraso; Jun-ichi Nishida; Shinji Ando; Jun Yamaguchi; Kenji Itaka; Hideomi Koinuma; Hirokazu Tada; Shizuo Tokito; Yoshiro Yamashita","High-Performance Organic Field-Effect Transistors Based on π-Extended Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2005","127","","10142","10143","10.1021/ja051755e","","","0.7107","MoKα","","","0.0949","","","","0.2139","","","","","","0.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111800","5.929","0.009","7.85","0.01","18.07","0.03","86.44","0.06","82.6","0.06","85.47","0.06","830","2","93.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H12 S4 -","- C22 H12 S4 -","- C44 H24 S8 -","2","1","","Naraso; Jun-ichi Nishida; Shinji Ando; Jun Yamaguchi; Kenji Itaka; Hideomi Koinuma; Hirokazu Tada; Shizuo Tokito; Yoshiro Yamashita","High-Performance Organic Field-Effect Transistors Based on π-Extended Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2005","127","","10142","10143","10.1021/ja051755e","","","0.7107","MoKα","","","0.0794","","","","0.2367","","","","","","1.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111801","8.65","0.01","9.51","0.01","9.43","0.01","74.06","0.04","65.35","0.05","63.74","0.05","628.4","1.2","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H4 N4 S4 -","- C10 H4 N4 S4 -","- C20 H8 N8 S8 -","2","1","","Naraso; Jun-ichi Nishida; Shinji Ando; Jun Yamaguchi; Kenji Itaka; Hideomi Koinuma; Hirokazu Tada; Shizuo Tokito; Yoshiro Yamashita","High-Performance Organic Field-Effect Transistors Based on π-Extended Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2005","127","","10142","10143","10.1021/ja051755e","","","0.7107","MoKα","","","0.1003","","","","0.3655","","","","","","1.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111802","33.844","0.006","9.5051","0.0016","22.643","0.004","90","","121.374","0.003","90","","6219","1.9","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H29.5 O P Re S3 -","- C34.5 H29.5 O P Re S3 -","- C276 H236 O8 P8 Re8 S24 -","8","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0447","0.0299","","","0.0692","0.0763","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111803","8.2037","0.0014","19.187","0.003","17.022","0.003","90","","95.461","0.003","90","","2667.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 P Re S3 -","- C28 H28 P Re S3 -","- C112 H112 P4 Re4 S12 -","4","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0392","0.0264","","","0.0596","0.0648","","","","","","1.028","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111804","17.345","0.004","10.982","0.002","23.929","0.005","90","","110.753","0.003","90","","4262.3","1.5","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 Cl O P Re S2 -","- C20 H19 Cl O P Re S2 -","- C160 H152 Cl8 O8 P8 Re8 S16 -","8","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0668","0.0447","","","0.096","0.1052","","","","","","1.079","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111805","10.247","0.002","30.973","0.006","10.28","0.002","90","","100.432","0.003","90","","3208.7","1.1","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl O P Re S2 -","- C34 H30 Cl O P Re S2 -","- C136 H120 Cl4 O4 P4 Re4 S8 -","4","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0728","0.0502","","","0.1062","0.1146","","","","","","1.123","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111806","9.272","0.003","11.444","0.003","12.909","0.004","82.415","0.005","80.987","0.004","76.334","0.005","1308.1","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 O P Re S3 -","- C27 H26 O P Re S3 -","- C54 H52 O2 P2 Re2 S6 -","2","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0496","0.0364","","","0.0893","0.0964","","","","","","0.953","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111807","10.87","0.003","18.284","0.005","12.674","0.003","90","","110.978","0.005","90","","2352","1.1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 O P Re S3 -","- C25 H20 O P Re S3 -","- C100 H80 O4 P4 Re4 S12 -","4","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0544","0.0405","","","0.1092","0.1157","","","","","","1.09","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111808","11.6523","0.0018","19.856","0.003","15.699","0.003","90","","102.833","0.005","90","","3541.5","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 O Si2 Zr -","- C37 H54 O Si2 Zr -","- C148 H216 O4 Si8 Zr4 -","4","1","","Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Ligand-Induced Haptotropic Rearrangements in Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2005","127","","10291","10304","10.1021/ja052033q","","","0.71073","MoKα","","0.1018","0.0663","","","0.1576","0.1738","","","","","","1.059","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111809","20.7926","0.0017","25.896","0.002","21.9514","0.0012","90","","106.506","0.003","90","","11332.5","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H168 O6 Si12 Zr3 -","- C102 H168 O6 Si12 Zr3 -","- C408 H672 O24 Si48 Zr12 -","4","1","","Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Ligand-Induced Haptotropic Rearrangements in Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2005","127","","10291","10304","10.1021/ja052033q","","","0.71073","MoKα","","0.0728","0.0363","","","0.0714","0.0812","","","","","","0.961","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111810","12.7495","0.001","12.9326","0.001","17.4158","0.0013","87.677","0.002","70.785","0.002","64.14","0.002","2422.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 O Si4 Zr -","- C54 H62 O Si4 Zr -","- C108 H124 O2 Si8 Zr2 -","2","1","","Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Ligand-Induced Haptotropic Rearrangements in Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2005","127","","10291","10304","10.1021/ja052033q","","","0.71073","MoKα","","0.0609","0.0402","","","0.0919","0.1002","","","","","","1.034","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111811","8.5349","0.0016","12.272","0.002","12.397","0.002","77.006","0.004","84.234","0.004","75.749","0.004","1224.9","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H17 D12 F3 O8 Pd S3 -","- C17 H29 F3 O8 Pd S3 -","- C34 H58 F6 O16 Pd2 S6 -","2","1","","Daisuke Tanaka; Stuart P. Romeril; Andrew G. Myers","On the Mechanism of the Palladium(II)-Catalyzed Decarboxylative Olefination of Arene Carboxylic Acids. Crystallographic Characterization of Non-Phosphine Palladium(II) Intermediates and Observation of Their Stepwise Transformation in Heck-like Processes","Journal of the American Chemical Society","2005","127","","10323","10333","10.1021/ja052099l","","x-ray","0.71073","MoKα","","0.0682","0.0417","","","0.0664","0.0724","","","","","","0.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111812","9.3554","0.0012","14.1121","0.0019","16.823","0.002","90","","90","","90","","2221","0.5","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 D6 F3 O6 Pd S -","- C20 H21 D6 F3 O6 Pd S -","- C80 H84 D24 F12 O24 Pd4 S4 -","4","1","","Daisuke Tanaka; Stuart P. Romeril; Andrew G. Myers","On the Mechanism of the Palladium(II)-Catalyzed Decarboxylative Olefination of Arene Carboxylic Acids. Crystallographic Characterization of Non-Phosphine Palladium(II) Intermediates and Observation of Their Stepwise Transformation in Heck-like Processes","Journal of the American Chemical Society","2005","127","","10323","10333","10.1021/ja052099l","","","0.71073","MoKα","","0.0351","0.033","","","0.0689","0.0697","","","","","","1.188","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111813","8.759","0.0012","15.009","0.002","42.798","0.006","90","","90","","90","","5626.4","1.3","223","2","223","2","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C30 H36 O2 S2 -","- C30 H36 O2 S2 -","- C240 H288 O16 S16 -","8","1","","Fuke Wang; Ming-Yong Han; Khine Yi Mya; Yubo Wang; Yee-Hing Lai","Aggregation-Driven Growth of Size-Tunable Organic Nanoparticles Using Electronically Altered Conjugated Polymers","Journal of the American Chemical Society","2005","127","","10350","10355","10.1021/ja0521730","","","0.71073","MoKα","","0.1008","0.0836","","","0.1995","0.2071","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111814","17.3267","0.0013","7.2617","0.0005","21.9512","0.0016","90","","90","","90","","2761.9","0.3","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C144 H96 S16 -","8","1","","Fuke Wang; Ming-Yong Han; Khine Yi Mya; Yubo Wang; Yee-Hing Lai","Aggregation-Driven Growth of Size-Tunable Organic Nanoparticles Using Electronically Altered Conjugated Polymers","Journal of the American Chemical Society","2005","127","","10350","10355","10.1021/ja0521730","","","0.71073","MoKα","","0.0777","0.048","","","0.101","0.1103","","","","","","0.905","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111815","17.845","0.002","23.754","0.007","18.033","0.002","90","","96.426","0.004","90","","7596","3","150","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C72 H90 Li4 N6 O24 Ti2 -","- C72 H90 Li4 N6 O24 Ti2 -","- C288 H360 Li16 N24 O96 Ti8 -","4","1","","Markus Albrecht; Sebastian Mirtschin; Marita de Groot; Ingo Janser; Jan Runsink; Gerhard Raabe; Michael Kogej; Christoph A. Schalley; Roland Fröhlich","Hierarchical Assembly of Helicate-Type Dinuclear Titanium(IV) Complexes","Journal of the American Chemical Society","2005","127","","10371","10387","10.1021/ja052326j","","","1.54179","CuKα","","0.13","0.13","","0.198","","0.198","","","1.011","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111816","16.943","0.001","23.962","0.001","14.483","0.001","90","","97.16","0.01","90","","5834.1","0.6","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Li4 N4 O22 Ti2 -","- C54 H52 Li4 N4 O22 Ti2 -","- C216 H208 Li16 N16 O88 Ti8 -","4","1","","Markus Albrecht; Sebastian Mirtschin; Marita de Groot; Ingo Janser; Jan Runsink; Gerhard Raabe; Michael Kogej; Christoph A. Schalley; Roland Fröhlich","Hierarchical Assembly of Helicate-Type Dinuclear Titanium(IV) Complexes","Journal of the American Chemical Society","2005","127","","10371","10387","10.1021/ja052326j","","","0.71073","MoKα","","0.1352","0.0951","","","0.259","0.2901","","","","","","1.023","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111817","14.53","0.001","21.692","0.001","22.298","0.001","90","","108.38","0.01","90","","6669.5","0.7","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 Li4 N4 O29 Ti2 -","- C60 H66 Li4 N4 O29 Ti2 -","- C240 H264 Li16 N16 O116 Ti8 -","4","1","","Markus Albrecht; Sebastian Mirtschin; Marita de Groot; Ingo Janser; Jan Runsink; Gerhard Raabe; Michael Kogej; Christoph A. Schalley; Roland Fröhlich","Hierarchical Assembly of Helicate-Type Dinuclear Titanium(IV) Complexes","Journal of the American Chemical Society","2005","127","","10371","10387","10.1021/ja052326j","","","0.71073","MoKα","","0.1379","0.0872","","","0.2291","0.2629","","","","","","1.024","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111818","13.652","0.003","13.717","0.003","14.166","0.003","90","","106.89","0.03","90","","2538.4","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 Al2 N4 O2 -","- C58 H82 Al2 N4 O2 -","- C116 H164 Al4 N8 O4 -","2","0.5","","Hongping Zhu; Jianfang Chai; Vojtech Jancik; Herbert W. Roesky; William A. Merrill; Philip P. Power","The Selective Preparation of an Aluminum Oxide and Its Isomeric C-H-Activated Hydroxide","Journal of the American Chemical Society","2005","127","","10170","10171","10.1021/ja052400y","","","1.54178","CuKα","","0.0364","0.0328","","","0.0851","0.0878","","","","","","1.049","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111819","21.56","0.004","10.457","0.002","40.816","0.008","90","","97.26","0.03","90","","9128","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54.14 H67.65 Al N3 -","- C54.142 H67.648 Al N3 -","- C433.136 H541.184 Al8 N24 -","8","1","","Hongping Zhu; Jianfang Chai; Vojtech Jancik; Herbert W. Roesky; William A. Merrill; Philip P. Power","The Selective Preparation of an Aluminum Oxide and Its Isomeric C-H-Activated Hydroxide","Journal of the American Chemical Society","2005","127","","10170","10171","10.1021/ja052400y","","","1.54178","CuKα","","0.0463","0.0369","","","0.0859","0.091","","","","","","1.023","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111820","22.605","0.004","12.583","0.002","19.132","0.003","90","","102.68","0.02","90","","5309.2","1.6","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C58 H82 Al2 N4 O2 -","- C58 H82 Al2 N4 O2 -","- C232 H328 Al8 N16 O8 -","4","1","","Hongping Zhu; Jianfang Chai; Vojtech Jancik; Herbert W. Roesky; William A. Merrill; Philip P. Power","The Selective Preparation of an Aluminum Oxide and Its Isomeric C-H-Activated Hydroxide","Journal of the American Chemical Society","2005","127","","10170","10171","10.1021/ja052400y","","","1.54178","CuKα","","0.0421","0.0344","","","0.085","0.0895","","","","","","1.025","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111821","10.5012","0.001","13.497","0.0013","22.406","0.002","74.515","0.002","81.705","0.002","87.295","0.002","3028.3","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Zirconocenechloridedisilenide","","","- C61 H93 Cl Si2 Zr -","- C61 H93 Cl Si2 Zr -","- C122 H186 Cl2 Si4 Zr2 -","2","1","","Thi-loan Nguyen; David Scheschkewitz","Activation of a SiSi Bond by η1-Coordination to a Transition Metal","Journal of the American Chemical Society","2005","127","","10174","10175","10.1021/ja052593p","","","0.71073","MoKα","","0.0491","0.0404","","","0.1116","0.1176","","","","","","1.058","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111822","10.7783","0.0007","13.579","0.0009","19.7407","0.0013","87.651","0.001","78.438","0.001","71.897","0.001","2689.8","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Zirconocenechloridesilanide","","","- C55 H79 Cl Si2 Zr -","- C55 H79 Cl Si2 Zr -","- C110 H158 Cl2 Si4 Zr2 -","2","1","","Thi-loan Nguyen; David Scheschkewitz","Activation of a SiSi Bond by η1-Coordination to a Transition Metal","Journal of the American Chemical Society","2005","127","","10174","10175","10.1021/ja052593p","","","0.71073","MoKα","","0.0396","0.0361","","","0.0956","0.0988","","","","","","1.043","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111823","9.601","0.002","21.07","0.002","9.898","0.002","90","0.02","90.86","0.02","90","0.02","2002.1","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 O4 S -","- C22 H26 O4 S -","- C88 H104 O16 S4 -","4","2","","Gyochang Keum; Cheol Hee Hwang; Soon Bang Kang; Youseung Kim; Eun Lee","Stereoselective Syntheses of Rolliniastatin 1, Rollimembrin, and Membranacin","Journal of the American Chemical Society","2005","127","","10396","10399","10.1021/ja0526867","","","0.71073","MoKα","","0.0411","0.0403","","","0.1046","0.1054","","","","","","1.051","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111824","9.3921","0.0002","15.6274","0.0003","13.4697","0.0003","90","","100.947","0.001","90","","1941.03","0.07","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H26.727 B10 Cl0.566 I0.707 -","- C10 H26.727 B10 Cl0.566 I0.707 -","- C40 H106.908 B40 Cl2.264 I2.828 -","4","1","","Francesc Teixidor; Gemma Barberà; Albert Vaca; Raikko Kivekäs; Reijo Sillanpää; Josep Oliva; Clara Viñas","Are Methyl Groups Electron-Donating or Electron-Withdrawing in Boron Clusters? Permethylation of o-Carborane","Journal of the American Chemical Society","2005","127","","10158","10159","10.1021/ja052981r","","x-ray","0.71073","Mokα","","0.0306","0.0277","","","0.0661","0.0678","","","","","","1.061","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111825","12.2603","0.0009","13.0163","0.0011","25.6615","0.0018","90","","92.173","0.004","90","","4092.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 B2 Br0.1 Cl2.9 N3 Rh -","- C43 H57 B2 Br0.1 Cl2.9 N3 Rh -","- C172 H228 B8 Br0.4 Cl11.6 N12 Rh4 -","4","1","","Carsten Präsang; Bruno Donnadieu; Guy Bertrand","Stable Planar Six-π-Electron Six-Membered N-Heterocyclic Carbenes with Tunable Electronic Properties","Journal of the American Chemical Society","2005","127","","10182","10183","10.1021/ja052987g","","","0.71073","MoKα","","0.0387","0.0299","","","0.0739","0.0783","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111826","11.944","0.0006","17.842","0.0009","19.7133","0.0009","103.595","0.001","95.237","0.001","106.397","0.001","3860.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C71.5 H94 B4 Br2 Cl7 N6 -","- C71.5 H94 B4 Br2 Cl7 N6 -","- C143 H188 B8 Br4 Cl14 N12 -","2","1","","Carsten Präsang; Bruno Donnadieu; Guy Bertrand","Stable Planar Six-π-Electron Six-Membered N-Heterocyclic Carbenes with Tunable Electronic Properties","Journal of the American Chemical Society","2005","127","","10182","10183","10.1021/ja052987g","","","0.71073","MoKα","","0.0911","0.0519","","","0.1093","0.119","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111827","13.95","0.0013","19.151","0.0018","22.413","0.002","90","","90","","90","","5987.8","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H43 B2 N3 -","- C34 H43 B2 N3 -","- C272 H344 B16 N24 -","8","1","","Carsten Präsang; Bruno Donnadieu; Guy Bertrand","Stable Planar Six-π-Electron Six-Membered N-Heterocyclic Carbenes with Tunable Electronic Properties","Journal of the American Chemical Society","2005","127","","10182","10183","10.1021/ja052987g","","","0.71073","MoKα","","0.0814","0.0482","","","0.1149","0.1324","","","","","","1.021","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111828","15.825","0.003","8.8911","0.0017","17.766","0.003","90","","99.089","0.004","90","","2468.3","0.8","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 -","- C18 H16 -","- C144 H128 -","8","2","","Takayuki Uto; Tohru Nishinaga; Akira Matsuura; Ryota Inoue; Koichi Komatsu","A Naphthalene with Unusual Bond Alternation Made by Annelation with Bicyclo[2.1.1]hexene Units: Aromaticity and Reactivity","Journal of the American Chemical Society","2005","127","","10162","10163","10.1021/ja053769q","","","0.71073","MoKα","","0.1044","0.0458","","","0.0623","0.0676","","","","","","1.002","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111829","8.537","0.002","8.775","0.002","9.099","0.002","90","","102.517","0.004","90","","665.4","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Takayuki Uto; Tohru Nishinaga; Akira Matsuura; Ryota Inoue; Koichi Komatsu","A Naphthalene with Unusual Bond Alternation Made by Annelation with Bicyclo[2.1.1]hexene Units: Aromaticity and Reactivity","Journal of the American Chemical Society","2005","127","","10162","10163","10.1021/ja053769q","","","0.71073","MoKα","","0.0394","0.0352","","","0.0823","0.0844","","","","","","1","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111830","15.972","0.002","19.266","0.002","30.169","0.002","90","","91.073","0.003","90","","9281.9","1.6","153.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 Cr6 K2 O75 Si W12 -","- C36 Cr6 K2 O75 Si W12 -","- C144 Cr24 K8 O300 Si4 W48 -","4","0.5","","Ryosuke Kawamoto; Sayaka Uchida; Noritaka Mizuno","Amphiphilic Guest Sorption of K2[Cr3O(OOCC2H5)6(H2O)3]2[α-SiW12O40] Ionic Crystal","Journal of the American Chemical Society","2005","127","","10560","10567","10.1021/ja042333s","","","0.7107","MoKα","","","0.059","","","","0.077","","","","","","1.176","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111831","5.259","0.002","11.954","0.005","11.73","0.004","90","","95.486","0.008","90","","734","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans-4-Amino-cyclohexanol","trans-4-Amino-cyclohexanol","","- C6 H13 N O -","- C6 H13 N O -","- C24 H52 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.1289","0.066","","","0.143","0.1697","","","","","","0.951","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111832","21.609","0.0007","7.4822","0.0002","8.2703","0.0003","90","","90","","90","","1337.17","0.07","120","2","120","2","","","","","","","","4","I b a 2","I 2 -2c","45","2A3MP","2-Amino-3-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.035","0.033","","","0.0864","0.0882","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111833","7.5058","0.0015","7.7076","0.0015","22.691","0.005","90","","90","","90","","1312.7","0.5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2A4MP","2-Amino-4-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0419","0.039","","","0.108","0.1112","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111834","8.786","0.0005","9.9708","0.0005","7.87","0.0004","90","","113.966","0.002","90","","630","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2A5MP","2-Amino-5-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0497","0.041","","","0.1086","0.1162","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111835","8.0069","0.0002","8.0094","0.0002","20.3862","0.0005","83.886","0.001","84.719","0.001","89.12","0.001","1294.4","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2A6MP","2-Amino-6-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","4","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0428","0.0375","","","0.1028","0.108","","","","","","1.036","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111836","6.6782","0.0006","8.1351","0.0007","11.9301","0.001","90","","101.661","0.002","90","","634.76","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3A2MP","3-Amino-2-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0443","0.0384","","","0.1116","0.1164","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111837","7.5998","0.0002","18.386","0.0005","9.9035","0.0003","90","","110.172","0.001","90","","1298.93","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3A4MP","3-Amino-4-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","2","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.05","0.0355","","","0.0925","0.0978","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111838","6.0239","0.0001","15.2605","0.0003","7.4566","0.0002","90","","107.557","0.001","90","","653.54","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3A5MP","3-Amino-5-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0391","0.0353","","","0.0976","0.1025","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111839","5.599","0.001","7.971","0.002","7.7","0.002","90","","110.02","0.01","90","","322.88","0.13","105","2","105","2","","","","","","","","4","P 1 n 1","P -2yac","7","5A2MP","5-Amino-2-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C14 H18 N2 O2 -","2","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0426","0.0393","","","0.0964","0.0995","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111840","4.4894","0.0001","10.4759","0.0003","14.33","0.0004","90","","93.174","0.001","90","","672.91","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4A2MP","4-Amino-2-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0454","0.0393","","","0.1121","0.1181","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111841","4.6823","0.0002","11.5155","0.0005","12.0314","0.0005","90","","96.884","0.002","90","","644.04","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4A3MP","4-Amino-3-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0494","0.0387","","","0.0912","0.0969","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111842","12.415","0.002","4.1719","0.0007","15.511","0.003","90","","108.804","0.003","90","","760.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8A2HNAP","8-Amino-2-naphthol","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0691","0.0564","","","0.1442","0.1533","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111843","10.2142","0.0006","11.3561","0.0007","23.3692","0.0015","90","","93.139","0.001","90","","2706.6","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 B N9 O2 P W -","- C22 H35 B N9 O2 P W -","- C88 H140 B4 N36 O8 P4 W4 -","4","1","","Peter M. Graham; David A. Delafuente; Weijun Liu; William H. Myers; Michal Sabat; W. D. Harman","Facile Diels-Alder Reactions with Pyridines Promoted by Tungsten","Journal of the American Chemical Society","2005","127","","10568","10572","10.1021/ja050143r","","","0.71073","MoKα","","0.0579","0.0406","","","0.0841","0.0892","","","","","","0.966","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111844","8.4866","0.0007","15.1344","0.0012","10.3639","0.0009","90","","94.808","0.002","90","","1326.45","0.19","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H32 B N10 O P W -","- C22 H32 B N10 O P W -","- C44 H64 B2 N20 O2 P2 W2 -","2","1","","Peter M. Graham; David A. Delafuente; Weijun Liu; William H. Myers; Michal Sabat; W. D. Harman","Facile Diels-Alder Reactions with Pyridines Promoted by Tungsten","Journal of the American Chemical Society","2005","127","","10568","10572","10.1021/ja050143r","","","0.71073","MoKα","","0.0725","0.0471","","","0.0652","0.0695","","","","","","0.733","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111845","12.3731","0.0015","10.381","0.0013","16.608","0.002","90","","93.254","0.002","90","","2129.8","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H54 N4 O4 -","- C48 H54 N4 O4 -","- C96 H108 N8 O8 -","2","1","","Fan Zhang; Shi Bai; Glenn P. A. Yap; Vinod Tarwade; Joseph M. Fox","Abiotic Metallofoldamers as Electrochemically Responsive Molecules","Journal of the American Chemical Society","2005","127","","10590","10599","10.1021/ja050886c","","","0.71073","MoKα","","0.1597","0.0828","","","0.1979","0.2369","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111846","15.742","0.002","16.419","0.002","23.119","0.003","90","","90","","90","","5975.5","1.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C65 H66 Cl3 N7 Ni O8 -","- C65 H66 Cl3 N7 Ni O8 -","- C260 H264 Cl12 N28 Ni4 O32 -","4","1","","Fan Zhang; Shi Bai; Glenn P. A. Yap; Vinod Tarwade; Joseph M. Fox","Abiotic Metallofoldamers as Electrochemically Responsive Molecules","Journal of the American Chemical Society","2005","127","","10590","10599","10.1021/ja050886c","","","0.71073","MoKα","","0.0721","0.067","","","0.1811","0.1899","","","","","","1.06","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111847","15.745","0.003","15.865","0.003","24.245","0.005","90","","90","","90","","6056","2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H64 Cl6 Cu N6 O8 -","- C64 H64 Cl6 Cu N6 O8 -","- C256 H256 Cl24 Cu4 N24 O32 -","4","1","","Fan Zhang; Shi Bai; Glenn P. A. Yap; Vinod Tarwade; Joseph M. Fox","Abiotic Metallofoldamers as Electrochemically Responsive Molecules","Journal of the American Chemical Society","2005","127","","10590","10599","10.1021/ja050886c","","","0.71073","MoKα","","0.075","0.0595","","","0.1318","0.1418","","","","","","1.024","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111848","8.3516","0.0019","30.307","0.007","9.825","0.002","90","","92.697","0.004","90","","2484.1","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C132 H104 N8 O8 -","4","1","","Christoph Lambert; Jürgen Schelter; Torsten Fiebig; Daniela Mank; Anton Trifonov","Photoinduced Charge Transfer Processes along Triarylamine Redox Cascades","Journal of the American Chemical Society","2005","127","","10600","10610","10.1021/ja0511570","","","0.71073","MoKα","","0.0399","0.0366","","","0.0961","0.0984","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111849","15.721","0.005","16.515","0.006","21.159","0.007","84.86","0.03","83.56","0.03","65.71","0.03","4970","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H46 B2 Fe Li2 N4 O4 -","- C28 H46 B2 Fe Li2 N4 O4 -","- C168 H276 B12 Fe6 Li12 N24 O24 -","6","3","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.3584","0.1207","","","0.264","0.3683","","","","","","0.84","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111850","15.584","0.003","32.374","0.004","15.4767","0.0016","90","","90","","90","","7808","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H56 B2 Fe N4 Na2 O6 -","- C32 H56 B2 Fe N4 Na2 O6 -","- C256 H448 B16 Fe8 N32 Na16 O48 -","8","1","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1884","0.0737","","","0.1491","0.1917","","","","","","0.84","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111851","9.8339","0.0016","13.083","0.002","16.826","0.003","86.743","0.015","75.024","0.013","71.342","0.013","1980.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H56 B2 Fe K2 N4 O6 -","- C32 H56 B2 Fe K2 N4 O6 -","- C64 H112 B4 Fe2 K4 N8 O12 -","2","1","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1072","0.0529","","","0.1107","0.1263","","","","","","0.829","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111852","9.8596","0.0018","13.136","0.003","17.292","0.004","85.95","0.018","75.063","0.016","69.938","0.015","2032.2","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H56 B2 Fe N4 O6 Rb2 -","- C32 H56 B2 Fe N4 O6 Rb2 -","- C64 H112 B4 Fe2 N8 O12 Rb4 -","2","1","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1571","0.1057","","","0.2712","0.3005","","","","","","1.084","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111853","9.8708","0.0012","24.313","0.003","17.594","0.002","90","","103.18","0.01","90","","4111.1","0.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 B2 Cs2 Fe N4 O6 -","- C32 H56 B2 Cs2 Fe N4 O6 -","- C128 H224 B8 Cs8 Fe4 N16 O24 -","4","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.0692","0.0345","","","0.0582","0.0638","","","","","","0.815","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111854","20.637","0.0016","11.5631","0.0007","16.2548","0.001","90","","90","","90","","3878.8","0.5","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C36 H58 B2 Fe N4 Na2 O4 -","- C36 H58 B2 Fe N4 Na2 O4 -","- C144 H232 B8 Fe4 N16 Na8 O16 -","4","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.0674","0.0484","","","0.1333","0.1417","","","","","","1.031","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111855","11.0876","0.0019","14.624","0.003","12.7422","0.0018","90","","99.159","0.013","90","","2039.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B2 Fe K2 N4 O4 -","- C36 H58 B2 Fe K2 N4 O4 -","- C72 H116 B4 Fe2 K4 N8 O8 -","2","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1495","0.0524","","","0.0738","0.0886","","","","","","0.797","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111856","11.309","0.003","15.248","0.005","12.259","0.004","90","","96.13","0.03","90","","2101.9","1.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B2 Fe N4 O4 Rb2 -","- C36 H58 B2 Fe N4 O4 Rb2 -","- C72 H116 B4 Fe2 N8 O8 Rb4 -","2","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.2266","0.0978","","","0.1932","0.2475","","","","","","0.965","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111857","6.67","0.01","10.45","0.03","14.72","0.02","102.1","0.2","94","0.3","105.3","0.1","959","4","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 B Br Cl F8 -","- C17 B Br Cl F8 -","- C34 B2 Br2 Cl2 F16 -","2","1","","Masahito Ochiai; Yoshio Nishi; Takeshi Mori; Norihiro Tada; Takashi Suefuji; Hermann J. Frohn","Synthesis and Characterization of β-Haloalkenyl-λ3-bromanes: Stereoselective Markovnikov Addition of Difluoro(aryl)-λ3-bromane to Terminal Acetylenes","Journal of the American Chemical Society","2005","127","","10460","10461","10.1021/ja051690f","","","0.7107","MoKα","","","0.055","","","","0.121","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111858","11.171","0.004","25.098","0.009","3.8852","0.0013","90","","90","","90","","1089.3","0.7","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","H-T5-H","","","- C12 H4 S5 -","- C12 H4 S5 -","- C48 H16 S20 -","4","0.5","","Xinnan Zhang; Adrien P. Côté; Adam J. Matzger","Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings","Journal of the American Chemical Society","2005","127","","10502","10503","10.1021/ja053326m","","","0.71073","MoKα","","0.1344","0.1033","","","0.223","0.2358","","","","","","1.142","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111859","16.2367","0.0015","16.2367","0.0015","13.041","0.0017","90","","90","","90","","3438","0.6","153","2","153","2","","","","","","","","4","P -4 21 c","P -4 2n","114","TIPS-T5-TIPS","","","- C30 H44 S5 Si2 -","- C30 H44 S5 Si2 -","- C120 H176 S20 Si8 -","4","0.5","","Xinnan Zhang; Adrien P. Côté; Adam J. Matzger","Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings","Journal of the American Chemical Society","2005","127","","10502","10503","10.1021/ja053326m","","","0.71073","MoKα","","0.0589","0.0483","","","0.1092","0.119","","","","","","1.037","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111860","17.9934","0.0016","29.79","0.003","13.4276","0.0012","90","","90","","90","","7197.5","1.2","153","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","TIPS-T7-TIPS","","","- C34 H44 S7 Si2 -","- C34 H44 S7 Si2 -","- C272 H352 S56 Si16 -","8","1","","Xinnan Zhang; Adrien P. Côté; Adam J. Matzger","Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings","Journal of the American Chemical Society","2005","127","","10502","10503","10.1021/ja053326m","","","0.71073","MoKα","","0.0529","0.0366","","","0.0823","0.0953","","","","","","1.01","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111861","7.5263","0.0011","12.0867","0.0011","16.312","0.002","90","","90","","90","","1483.9","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 S2 -","- C14 H17 N O3 S2 -","- C56 H68 N4 O12 S8 -","4","1","","Evans, David A.; Thomson, Regan J.","Ni(II) Tol-BINAP-Catalyzed Enantioselective Orthoester Alkylations of N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","30","10506","10507","10.1021/ja053386s","","","0.71073","MoKα","","0.0287","0.0282","","","0.0656","0.0659","","","","","","1.189","","","","has coordinates","219220","2020-10-21","18:00:00",""
"4111862","12.642","0.002","11.274","0.002","13.052","0.004","90","","104.26","0.02","90","","1802.9","0.7","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H51 N3 O4 Si -","- C35 H37 N3 O4 Si -","- C70 H74 N6 O8 Si2 -","2","1","","Christiane Marti; Erick M. Carreira","Total Synthesis of (-)-Spirotryprostatin B: Synthesis and Related Studies","Journal of the American Chemical Society","2005","127","","11505","11515","10.1021/ja0518880","","","1.5418","CuKα","","0.0598","0.0564","","","0.1601","0.1683","","","","","","1.055","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111863","8.935","0.001","13.87","0.002","25.228","0.007","90","","90","","90","","3126.5","1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Cl3 N3 O6 -","- C28 H36 Cl3 N3 O6 -","- C112 H144 Cl12 N12 O24 -","4","1","","Christiane Marti; Erick M. Carreira","Total Synthesis of (-)-Spirotryprostatin B: Synthesis and Related Studies","Journal of the American Chemical Society","2005","127","","11505","11515","10.1021/ja0518880","","","1.5418","CuKα","","0.0685","0.0608","","","0.1778","0.1902","","","","","","1.061","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111864","35.9775","0.0016","14.273","0.0006","11.9582","0.0005","90","","90","","90","","6140.6","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4(Et4N+)8[C(NH2)3+]3[(CO3)2-]3[(C2O4)2-]2(H2O)","","- C44 H124 N16 O28 -","- C29 H50 N26 O19 -","- C116 H200 N104 O76 -","4","0.5","","Chi-Keung Lam; Feng Xue; Jie-Peng Zhang; Xiao-Ming Chen; Thomas C. W. Mak","Hydrogen-Bonded Anionic Rosette Networks Assembled with Guanidinium and C3-Symmetric Oxoanion Building Blocks","Journal of the American Chemical Society","2005","127","","11536","11537","10.1021/ja050221a","","","0.71073","MoKα","","0.141","0.1013","","","0.2789","0.2935","","","","","","1.939","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111865","12.0977","0.0009","20.9279","0.0015","14.5969","0.001","90","","90","","90","","3695.6","0.5","123","","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2(Et4N+)[C(NH2)3+][1,3,5-C6H3(COO-)3]6(H2O)","","- C26 H60 N5 O12 -","- C26 H60 N5 O12 -","- C104 H240 N20 O48 -","4","0.5","","Chi-Keung Lam; Feng Xue; Jie-Peng Zhang; Xiao-Ming Chen; Thomas C. W. Mak","Hydrogen-Bonded Anionic Rosette Networks Assembled with Guanidinium and C3-Symmetric Oxoanion Building Blocks","Journal of the American Chemical Society","2005","127","","11536","11537","10.1021/ja050221a","","","0.71073","MoKα","","0.0543","0.0465","","","0.1257","0.1316","","","","","","1.069","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111866","7.6184","0.0006","9.5951","0.0007","17.0181","0.0009","90","","90","","90","","1244.01","0.15","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C9 H8 -","- C9 H8 -","- C72 H64 -","8","1","","Emilio Bustelo; Carine Guérot; Alain Hercouet; Bertrand Carboni; Loïc Toupet; Pierre H. Dixneuf","An Opened Route to 1,3-Dimethylenecyclobutanes via Sequential Ruthenium-Catalyzed [2 + 2] Cycloaddition of Allenyl Boronate and Palladium Suzuki Coupling","Journal of the American Chemical Society","2005","127","","11582","11583","10.1021/ja051930r","","","0.71069","MoKα","","0.1106","0.0671","","","0.1599","0.1953","","","","","","1.071","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111867","14.7776","0.0016","14.7849","0.0015","15.1131","0.0017","91.286","0.013","118.886","0.011","118.21","0.011","2409.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(EDT-TTF-CONH2)6 (RE6Se8(CN)6)","","","- C60 H22 N12 O6 Re6 S36 Se8 -","- C60 H22 N12 O6 Re6 S36 Se8 -","- C60 H22 N12 O6 Re6 S36 Se8 -","1","0.5","","Stéphane A. Baudron; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Vladimir Laukhin; Roberto Melzi; Pawel Wzietek; Denis Jérome; Pascale Auban-Senzier; Sylvain Ravy","(EDT-TTF-CONH2)6[Re6Se8(CN)6], a Metallic Kagome-Type Organic-Inorganic Hybrid Compound: Electronic Instability, Molecular Motion, and Charge Localization","Journal of the American Chemical Society","2005","127","","11785","11797","10.1021/ja0523385","","","0.71073","MoKα","","0.1295","0.0951","","","0.2425","0.2616","","","","","","0.974","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111868","15.0192","0.0017","15.0192","0.0017","15.0192","0.0017","61.465","0.017","61.465","0.017","61.465","0.017","2474.5","0.7","293","2","293","2","","","","","","","","7","R -3 :R","-P 3*","148","(EDT-TTF-CONH2)6 (RE6Se8(CN)6)","","","- C60 H18 N12 O6 Re6 S36 Se8 -","- C60 H18 N12 O6 Re6 S36 Se8 -","- C60 H18 N12 O6 Re6 S36 Se8 -","1","0.166667","","Stéphane A. Baudron; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Vladimir Laukhin; Roberto Melzi; Pawel Wzietek; Denis Jérome; Pascale Auban-Senzier; Sylvain Ravy","(EDT-TTF-CONH2)6[Re6Se8(CN)6], a Metallic Kagome-Type Organic-Inorganic Hybrid Compound: Electronic Instability, Molecular Motion, and Charge Localization","Journal of the American Chemical Society","2005","127","","11785","11797","10.1021/ja0523385","","","0.71073","MoKα","","0.0407","0.029","","","0.0661","0.0695","","","","","","0.994","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111869","21.715","0.006","19.196","0.006","28.62","0.007","90","","94.851","0.017","90","","11887","6","157","2","157","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C216 H156 F24 N20 O28 S8 Zn4 -","- C240 H92 F6 N20 O40 S4.8 Zn4 -","- C480 H184 F12 N40 O80 S9.6 Zn8 -","2","0.5","","Michael Schmittel; Venkateshwarlu Kalsani; Ravuri S. K. Kishore; Helmut Cölfen; Jan W. Bats","Dynamic and Fluorescent Nanoscale Phenanthroline/Terpyridine Zinc(II) Ladders. Self-Recognition in Unlike Ligand/Like Metal Coordination Scenarios","Journal of the American Chemical Society","2005","127","","11544","11545","10.1021/ja0525096","","","0.71073","MoKα","","0.3733","0.2315","","","0.3967","0.4456","","","","","","1.638","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111870","9.9387","0.0003","8.7443","0.0002","12.2164","0.0003","90","","96.192","0.003","90","","1055.5","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H31 F6 Fe N7 O2 P -","- C15 H31 F6 Fe N7 O2 P -","- C30 H62 F12 Fe2 N14 O4 P2 -","2","0.5","","John F. Berry; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Octahedral Non-Heme Non-Oxo Fe(IV) Species Stabilized by a Redox-Innocent N-Methylated Cyclam-Acetate Ligand","Journal of the American Chemical Society","2005","127","","11550","11551","10.1021/ja052673t","","","0.71073","MoKα","","0.0435","0.0417","","","0.0942","0.095","","","","","","1.168","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111871","15.7641","0.0008","15.7641","0.0008","35.775","0.002","90","","90","","120","","7699.3","0.7","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C145 H151 Cl3 I6 O36 Sn6 -","- C145 H139 Cl3 I6 O36 Sn6 -","- C290 H278 Cl6 I12 O72 Sn12 -","2","0.166667","","Vadapalli Chandrasekhar; Pakkirisamy Thilagar; James F. Bickley; Alexander Steiner","Alternating Hydrophilic and Hydrophobic Pockets in the Channel Structures of Organostannoxane Prismanes: Preferential Confinement of Guest Molecules","Journal of the American Chemical Society","2005","127","","11556","11557","10.1021/ja052776b","","","0.71073","MoKα","","0.039","0.0337","","","0.0793","0.0819","","","","","","1.071","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111872","16.387","0.003","17.701","0.003","22.903","0.004","86.44","0.02","88.2","0.02","64.628","0.017","5991","2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C109 H112 Cl3 O27 Sn6 -","- C109 H109 Cl3 O27 Sn6 -","- C218 H218 Cl6 O54 Sn12 -","2","1","","Vadapalli Chandrasekhar; Pakkirisamy Thilagar; James F. Bickley; Alexander Steiner","Alternating Hydrophilic and Hydrophobic Pockets in the Channel Structures of Organostannoxane Prismanes: Preferential Confinement of Guest Molecules","Journal of the American Chemical Society","2005","127","","11556","11557","10.1021/ja052776b","","","0.71073","MoKα","","0.0897","0.0487","","","0.1197","0.1314","","","","","","0.865","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111873","10.256","0.003","11.65","0.004","14.419","0.005","108.008","0.005","100.887","0.006","100.453","0.006","1555","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H45 Fe K N7 O3 -","- C26 H45 Fe K N7 O3 -","- C52 H90 Fe2 K2 N14 O6 -","2","1","","Robie L. Lucas; Douglas R. Powell; A. S. Borovik","Preparation of Iron Amido Complexes via Putative Fe(IV) Imido Intermediates","Journal of the American Chemical Society","2005","127","","11596","11597","10.1021/ja052952g","","","0.71073","MoKα","","0.1066","0.0642","","","0.1672","0.1904","","","","","","1.041","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111874","14.218","0.0002","25.1883","0.0004","22.2129","0.0004","90","","91.9957","0.0007","90","","7950.2","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H65 Au2 Cl2 O11.5 Sb6 -","- C74 H65 Au2 Cl2 O11.5 Sb6 -","- C296 H260 Au8 Cl8 O46 Sb24 -","4","0.5","","Vilma R. Bojan; Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Cristian Silvestru","Phosphorescent Excited State of [Au2{(Ph2Sb)2O}3]2+: Jahn-Teller Distortion at Only One Gold(I) Center","Journal of the American Chemical Society","2005","127","","11564","11565","10.1021/ja053237+","","","0.71073","MoKα","","0.0693","0.0391","","","0.0806","0.0909","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111875","9.2149","0.0003","12.9485","0.0005","14.3796","0.0006","107.645","0.002","93.624","0.002","95.851","0.002","1618.49","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Co N2 O2 -","- C36 H46 Co N2 O2 -","- C72 H92 Co2 N4 O4 -","2","1","","Kathryn L. Peretti; Hiroharu Ajiro; Claire T. Cohen; Emil B. Lobkovsky; Geoffrey W. Coates","A Highly Active, Isospecific Cobalt Catalyst for Propylene Oxide Polymerization","Journal of the American Chemical Society","2005","127","","11566","11567","10.1021/ja053451y","","","0.71073","MoKα","","0.0418","0.0326","","","0.0945","0.0994","","","","","","1.036","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111876","15.765","0.012","16.535","0.01","26.9","0.02","74.22","0.03","82.32","0.03","75.39","0.03","6514","8","150","2","150","2","","","","","","","synthesis","4","P 1","P 1","1","Boc-[(R,R)-Ab5,6=c]6-OEt","Ethyl 8-{{8-{{8-{{8-{{8-{[(1R,6R)-8-(tert-Butoxycarbonylamino) bicyclo[4.3.0]non-3-en-8-yl]carbonylamino}-(1R,6R)-bicyclo[4.3.0]non- 3-en-8-yl}carbonylamino}-(1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}- carbonylamino}-(1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}carbonylamino}- (1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}carbonylamino}- (1R,6R)-bicyclo[4.3.0]non-3-en-8-carboxylate","","- C68 H95 N6 O9.5 -","- C68 H95 N6 O9.5 -","- C272 H380 N24 O38 -","4","4","","Masakazu Tanaka; Kosuke Anan; Yosuke Demizu; Masaaki Kurihara; Mitsunobu Doi; Hiroshi Suemune","Side-Chain Chiral Centers of Amino Acid and Helical-Screw Handedness of Its Peptides","Journal of the American Chemical Society","2005","127","","11570","11571","10.1021/ja053842c","","","0.71075","MoKα","","0.1037","0.0589","","","0.1373","0.1552","","","","","","0.885","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111877","13.601","0.002","8.96","0.002","12.787","0.003","90","","128.16","0.01","90","","1225.3","0.5","298.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0541","","","","0.2172","","","","","","1.797","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111878","31.097","0.008","8.381","0.003","7.193","0.002","90","","92.05","0.02","90","","1873.5","1","291.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Br N O5 -","- C20 H18 Br N O5 -","- C80 H72 Br4 N4 O20 -","4","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.04","","","","0.1762","","","","","","1.54","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111879","13.389","0.002","20.618","0.004","9.686","0.002","90","","90","","90","","2673.9","0.9","297.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C104 H144 N16 O24 -","8","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0448","","","","0.1658","","","","","","1.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111880","17.896","0.003","10.093","0.001","16.581","0.004","90","","152.84","0.01","90","","1367.1","0.6","291.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0437","","","","0.137","","","","","","1.294","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111881","16.783","0.003","10.627","0.002","6.604","0.001","90","","100.83","0.01","90","","1156.9","0.3","291.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0416","","","","0.1401","","","","","","1.827","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111882","9.5286","0.0019","10.633","0.002","17.145","0.003","96.04","0.03","93.62","0.03","105.2","0.03","1659.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H55 N P3 Rh -","- C31 H55 N P3 Rh -","- C62 H110 N2 P6 Rh2 -","2","1","","Pinjing Zhao; John F. Hartwig","β-Aryl Eliminations from Rh(I) Iminyl Complexes","Journal of the American Chemical Society","2005","127","","11618","11619","10.1021/ja054132+","","","0.71073","MoKα","","0.0471","0.0339","","","0.0812","0.0859","","","","","","1.03","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111883","14.6961","0.0006","12.7908","0.0005","12.4795","0.0004","90","","103.734","0.002","90","","2278.76","0.15","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl2 N O Ti -","- C25 H29 Cl2 N O Ti -","- C100 H116 Cl8 N4 O4 Ti4 -","4","1","","Andreas Gansäuer; Dieter Franke; Thorsten Lauterbach; Martin Nieger","A Modular and Efficient Synthesis of Functional Titanocenes","Journal of the American Chemical Society","2005","127","","11622","11623","10.1021/ja054185r","","","0.71073","MoKα","","0.103","0.0482","","","0.089","0.0999","","","","","","0.908","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111884","19.9954","0.0007","13.9007","0.0006","19.1105","0.0009","90","","105.406","0.002","90","","5120.9","0.4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H32 Cl5 N O Ti -","- C22.5 H32 Cl5 N O Ti -","- C180 H256 Cl40 N8 O8 Ti8 -","8","1","","Andreas Gansäuer; Dieter Franke; Thorsten Lauterbach; Martin Nieger","A Modular and Efficient Synthesis of Functional Titanocenes","Journal of the American Chemical Society","2005","127","","11622","11623","10.1021/ja054185r","","","0.71073","MoKα","","0.0917","0.075","","","0.1823","0.189","","","","","","1.135","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111885","13.3012","0.0006","12.9164","0.0006","12.5231","0.0005","90","","107.087","0.002","90","","2056.55","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl2 N O Ti -","- C22 H25 Cl2 N O Ti -","- C88 H100 Cl8 N4 O4 Ti4 -","4","1","","Andreas Gansäuer; Dieter Franke; Thorsten Lauterbach; Martin Nieger","A Modular and Efficient Synthesis of Functional Titanocenes","Journal of the American Chemical Society","2005","127","","11622","11623","10.1021/ja054185r","","","0.71073","MoKα","","0.1143","0.043","","","0.061","0.0711","","","","","","0.794","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111886","12.456","0.0003","11.256","0.0003","16.0987","0.0004","90","","95.488","0.002","90","","2246.77","0.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Cl4 N O3 Ti -","- C19 H25 Cl4 N O3 Ti -","- C76 H100 Cl16 N4 O12 Ti4 -","4","1","","Andreas Gansäuer; Dieter Franke; Thorsten Lauterbach; Martin Nieger","A Modular and Efficient Synthesis of Functional Titanocenes","Journal of the American Chemical Society","2005","127","","11622","11623","10.1021/ja054185r","","","0.71073","MoKα","","0.0473","0.0307","","","0.0658","0.07","","","","","","0.958","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111887","16.642","0.001","16.6424","","7.724","0.002","90","","90","","120","","1852.7","0.5","296.2","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C21 H12 -","- C21 H12 -","- C126 H72 -","6","0.333333","","Hidehiro Sakurai; Taro Daiko; Hiroyuki Sakane; Toru Amaya; Toshikazu Hirao","Structural Elucidation of Sumanene and Generation of Its Benzylic Anions","Journal of the American Chemical Society","2005","127","","11580","11581","10.1021/ja0518169","","","0.7107","MoKα","","","0.0698","","","","0.1241","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111888","48.344","0.0007","48.344","0.0007","48.344","0.0007","90","","90","","90","","112987","3","293","2","293","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","MOL-1CdS-TMA","","","- C304 H296 Cd54 N4 O4 S80 -","- C288 Cd54 O4 S80 -","- C2304 Cd432 O32 S640 -","8","0.0833333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1561","0.0739","","","0.2362","0.2992","","","","","","1.048","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111889","48.248","0.003","48.248","0.003","48.248","0.003","90","","90","","90","","112315","12","293","2","293","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","MOL-1CdS-TPhP","","","- C384 H328 Cd54 O4 P4 S48 Se32 -","- C288 Cd54 O4 P9.6 S80 -","- C2304 Cd432 O32 P76.8 S640 -","8","0.0833333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.2041","0.1034","","","0.3496","0.4042","","","","","","1.796","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111890","24.0656","0.0007","24.0656","0.0007","24.0656","0.0007","90","","90","","90","","13937.7","0.7","293","2","293","2","","","","","","","","7","P 2 3","P 2 2 3","195","MOL-1CdSeS-TPhP","","","- C384 H328 Cd54 O4 P4 S48 Se32 -","- C65.28 Cd54 O4 S48 Se32 -","- C65.28 Cd54 O4 S48 Se32 -","1","0.0833333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.2104","0.0865","","","0.2974","0.4035","","","","","","1.23","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111891","37.475","0.008","26.482","0.006","34.504","0.007","90","","99.123","0.008","90","","33809","13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MOL-2CdS-TPhP","","","- C336 H280 Cd32 P4 S54 -","- C259 Cd32 P2 S54 -","- C1036 Cd128 P8 S216 -","4","1","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1532","0.1035","","","0.2895","0.3253","","","","","","1.03","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111892","19.172","0.003","19.172","0.003","45.758","0.009","90","","90","","120","","14566","4","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","MOL-3CdS","","","- C158 H138 Cd17 N4 S32 -","- C158 Cd17 N4 S32 -","- C474 Cd51 N12 S96 -","3","0.5","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1358","0.0931","","","0.2766","0.2982","","","","","","1.013","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111893","26.8981","0.0017","26.8981","0.0017","87.805","0.011","90","","90","","120","","55017","8","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C158 H138 Cd17 N4 S6 Se26 -","- C144 Cd17 S5 Se27 -","- C1728 Cd204 S60 Se324 -","12","0.333333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1399","0.0813","","","0.2079","0.2387","","","","","","0.987","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111894","11.9597","0.0011","17.5129","0.0015","12.4578","0.0011","90","","99.797","0.002","90","","2571.2","0.4","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","digermene","","","- C60 H76 Ge2 -","- C60 H76 Ge2 -","- C120 H152 Ge4 -","2","0.5","","Geoffrey H. Spikes; James C. Fettinger; Philip P. Power","Facile Activation of Dihydrogen by an Unsaturated Heavier Main Group Compound","Journal of the American Chemical Society","2005","127","","12232","12233","10.1021/ja053247a","","","0.71073","MoKα","","0.0324","0.0297","","","0.0783","0.0797","","","","","","1.062","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111895","16.3425","0.0011","45.579","0.003","21.2946","0.0014","90","","90","","90","","15861.8","1.8","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","digermane","","","- C60 H78 Ge2 -","- C60 H78 Ge2 -","- C720 H936 Ge24 -","12","3","","Geoffrey H. Spikes; James C. Fettinger; Philip P. Power","Facile Activation of Dihydrogen by an Unsaturated Heavier Main Group Compound","Journal of the American Chemical Society","2005","127","","12232","12233","10.1021/ja053247a","","","0.71073","MoKα","","0.0714","0.0622","","","0.1462","0.1501","","","","","","1.097","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111896","10.9571","0.0001","10.3401","0.0002","18.1895","0.0003","90","","95.2323","0.001","90","","2052.24","0.06","200","","200","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Alan D. Payne; Anthony C. Willis; Michael S. Sherburn","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","127","","12188","12189","10.1021/ja053772+","","","0.71073","MoKα","","0.0548","0.0324","","0.0528","0.0382","0.0382","","","","","","1.0484","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111897","25.86","0.003","16.0807","0.0019","11.734","0.0014","90","","101.444","0.002","90","","4782.5","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N2 O2 Si0.5 -","- C30 H30 N2 O2 Si0.5 -","- C240 H240 N16 O16 Si4 -","8","1","","Julie A. Cissell; Thomas P. Vaid; Arnold L. Rheingold","An Antiaromatic Porphyrin Complex: Tetraphenylporphyrinato(silicon)(L)2 (L = THF or Pyridine)","Journal of the American Chemical Society","2005","127","","12212","12213","10.1021/ja0544713","","","0.71073","MoKα","","0.091","0.0658","","","0.1551","0.1693","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111898","9.908","0.001","20.608","0.003","15.713","0.002","90","","96.022","0.002","90","","3190.6","0.7","153.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl2 F9 O10 Pt2 S3 -","- C20 H27 Cl2 F9 O10 Pt2 S3 -","- C80 H108 Cl8 F36 O40 Pt8 S12 -","4","1","","Dmitry Karshtedt; Alexis T. Bell; T. Don Tilley","Platinum-Based Catalysts for the Hydroamination of Olefins with Sulfonamides and Weakly Basic Anilines","Journal of the American Chemical Society","2005","127","","12640","12646","10.1021/ja052836d","","","0.7107","MoKα","","0.0647","0.0402","","0.0518","","0.0454","","","","","","1.383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111899","12.35","0.0009","12.35","0.0009","29.748","0.003","90","","90","","90","","4537.2","0.7","170","2","170","2","","","","","","","","5","P 43","P 4cw","78","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C28 H30 Br Cl6 S16 -","- C112 H120 Br4 Cl24 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","127","","12450","12451","10.1021/ja053488i","","","0.71073","MoKα","","0.0558","0.0497","","","0.141","0.1478","","","","","","1.038","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111900","15.598","0.0011","15.598","0.0011","27.063","0.004","90","","90","","90","","6584.4","1.2","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","Tetrakis(N,N'-di(3,5-diclorophenyl)formamidinato) chloro diruthenium(II,III) 0.5water hexanes solvate","","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C232 H172 Cl68 N32 O2 Ru8 -","4","0.25","","Wei-Zhong Chen; F. Albert Cotton; Naresh S. Dalal; Carlos A. Murillo; Chris M. Ramsey; Tong Ren; Xiaoping Wang","Proof of Large Positive Zero-Field Splitting in a Ru25+ Paddlewheel","Journal of the American Chemical Society","2005","127","","12691","12696","10.1021/ja053615a","","","0.71073","MoKα","","0.0797","0.0706","","","0.1876","0.1959","","","","","","1.145","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111901","13.363","0.003","24.152","0.005","8.2202","0.0016","90","","90","","90","","2653","1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H35 F3 Fe N6 O3 S2 -","- C18 H35 F3 Fe N6 O3 S2 -","- C72 H140 F12 Fe4 N24 O12 S8 -","4","1","","Chivukula V. Sastri; Mi Joo Park; Takehiro Ohta; Timothy A. Jackson; Audria Stubna; Mi Sook Seo; Jimin Lee; Jinheung Kim; Teizo Kitagawa; Eckard Münck; Lawrence Que; Wonwoo Nam","Axial Ligand Substituted Nonheme FeIVO Complexes: Observation of Near-UV LMCT Bands and FeO Raman Vibrations","Journal of the American Chemical Society","2005","127","","12494","12495","10.1021/ja0540573","","","0.71073","MoKα","","0.0788","0.0526","","","0.1395","0.1538","","","","","","1.01","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111902","15.722","0.007","17.056","0.004","17.622","0.007","79.99","0.02","64.28","0.01","72.74","0.02","4060","3","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C104 H47 F15 N6 -","- C104 H47 F15 N6 -","- C208 H94 F30 N12 -","2","1","","Tae Kyu Ahn; Jung Ho Kwon; Deok Yun Kim; Dae Won Cho; Dae Hong Jeong; Seong Keun Kim; Masaaki Suzuki; Soji Shimizu; Atsuhiro Osuka; Dongho Kim","Comparative Photophysics of [26]- and [28]Hexaphyrins(1.1.1.1.1.1): Large Two-Photon Absorption Cross Section of Aromatic [26]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2005","127","","12856","12861","10.1021/ja050895l","","","0.7107","MoKα","","","0.085","","","","0.115","","","","","","2.2","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111903","14.55","0.02","11.59","0.02","20.13","0.02","90","","90.92","0.05","90","","3394","8","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 N6 -","- C84 H80 N6 -","- C168 H160 N12 -","2","0.5","","Tae Kyu Ahn; Jung Ho Kwon; Deok Yun Kim; Dae Won Cho; Dae Hong Jeong; Seong Keun Kim; Masaaki Suzuki; Soji Shimizu; Atsuhiro Osuka; Dongho Kim","Comparative Photophysics of [26]- and [28]Hexaphyrins(1.1.1.1.1.1): Large Two-Photon Absorption Cross Section of Aromatic [26]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2005","127","","12856","12861","10.1021/ja050895l","","","0.7107","MoKα","","","0.08","","","","0.274","","","","","","1.301","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111904","20.2656","0.0012","20.2656","0.0012","33.203","0.004","90","","90","","120","","11809.4","1.7","118","2","118","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C152 H165 Cl Mn26 N24 O69 -","- C148.5 H153.03 Cl Mn26 N24 O63.5 -","- C297 H306.06 Cl2 Mn52 N48 O127 -","2","0.333333","","Curtis M. Zaleski; Ezra C. Depperman; Catherine Dendrinou-Samara; Maria Alexiou; Jeff W. Kampf; Dimitris P. Kessissoglou; Martin L. Kirk; Vincent L. Pecoraro","Metallacryptate Single-Molecule Magnets: Effect of Lower Molecular Symmetry on Blocking Temperature","Journal of the American Chemical Society","2005","127","","12862","12872","10.1021/ja050951i","","","0.71073","MoKα","","0.0361","0.0329","","","0.0976","0.0994","","","","","","1.078","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111905","8.2042","0.0003","15.1998","0.0006","23.334","0.0009","90","","90","","90","","2909.8","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O3 S2 -","- C35 H33 N O3 S2 -","- C140 H132 N4 O12 S8 -","4","1","","José Luis García Ruano; José Alemán; Alejandro Parra","Highly Stereoselective Benzylation of N-Sulfinylketimines","Journal of the American Chemical Society","2005","127","","13048","13054","10.1021/ja0515203","","","1.54178","CuKα","","0.059","0.0408","","","0.0825","0.0898","","","","","","1.011","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111906","7.3349","0.0001","18.7236","0.0001","20.2187","0.0002","90","","90","","90","","2776.75","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N O3 S2 -","- C31 H33 N O3 S2 -","- C124 H132 N4 O12 S8 -","4","1","","José Luis García Ruano; José Alemán; Alejandro Parra","Highly Stereoselective Benzylation of N-Sulfinylketimines","Journal of the American Chemical Society","2005","127","","13048","13054","10.1021/ja0515203","","","1.54178","CuKα","","0.0278","0.0267","","","0.0697","0.0707","","","","","","1.051","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111907","29.457","0.005","29.457","0.005","54.236","0.02","90","","90","","120","","40756","18","258","2","258","2","","","","","","","","6","R -3 :H","-R 3","148","MOP-28","Copper(II) Terthiophenedicarboxylate","","- C198 H72 Cu12 N6 O60 S36 -","- C198 H72 Cu12 N6 O60 S36 -","- C594 H216 Cu36 N18 O180 S108 -","3","0.166667","","Zheng Ni; Abderrahim Yassar; Tarek Antoun; Omar M. Yaghi","Porous Metal-Organic Truncated Octahedron Constructed from Paddle-Wheel Squares and Terthiophene Links","Journal of the American Chemical Society","2005","127","","12752","12753","10.1021/ja052055c","","","0.71073","MoKα","","0.0694","0.043","","","0.0947","0.0986","","","","","","1.004","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111908","15.082","0.003","31.922","0.006","22.305","0.005","90","","104.11","0.03","90","","10415","4","110","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni4(bptz)4(CH3CN)8][ClO4]8ψ4CH3CNψC4H8O","","","- C76 H76 Cl8 N36 Ni4 O33 -","- C76 H76 Cl8 N36 Ni4 O33 -","- C304 H304 Cl32 N144 Ni16 O132 -","4","1","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1944","0.0584","","","0.1257","0.1614","","","","","","0.86","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111909","17.933","0.004","28.314","0.006","29.459","0.006","90","","104.82","0.03","90","","14460","6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[{Ni5(bptz)5(CH3CN)10}][SbF6]10ψ2CH3CN","","","- C84 H76 F60 N42 Ni5 Sb10 -","- C84 H76 F58.9596 N42 Ni5 Sb9.8621 -","- C336 H304 F235.838 N168 Ni20 Sb39.4484 -","4","0.5","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1428","0.1085","","","0.3159","0.3433","","","","","","1.303","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111910","18.145","0.004","14.925","0.003","22.529","0.004","90","","90","","90","","6101","2","110","2","110","2","","","","","","","","7","I 2 2 2","I 2 2","23","[Ni4(bptz)4(CH3CN)8][SbF6]7[I]","","","- C64 H56 F42 I N32 Ni4 Sb7 -","- C64 H56 F42 I N32 Ni4 Sb7 -","- C128 H112 F84 I2 N64 Ni8 Sb14 -","2","0.25","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.0764","0.0655","","","0.1625","0.1694","","","","","","0.909","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111911","17.869","0.004","14.762","0.003","22.326","0.004","90","","90","","90","","5889","2","110","2","110","2","","","","","","","","8","I 2 2 2","I 2 2","23","[Ni4(bptz)4(CH3CN)8][BF4][PF6][SbF6]6","","","- C64 H56 B F46 N32 Ni4 P Sb6 -","- C64 H56 B F46 N32 Ni4 P Sb6 -","- C128 H112 B2 F92 N64 Ni8 P2 Sb12 -","2","0.25","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1109","0.0808","","","0.2089","0.2313","","","","","","1.04","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111912","20.358","0.004","17.493","0.004","28.123","0.006","90","","98.53","0.03","90","","9904","4","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ni4(bptz)4(CH3CN)4(H2O)4][ClO4][IO4]7ψ3CH3CN","","","- C62 H61 Cl I7 N31 Ni4 O36 -","- C62 H61 Cl I7 N31 Ni4 O36 -","- C248 H244 Cl4 I28 N124 Ni16 O144 -","4","0.5","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1922","0.1087","","","0.2804","0.3453","","","","","","1.064","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111913","13.197","0.003","27.7","0.006","23.557","0.005","90","","100.45","0.03","90","","8469","3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ni4(bptz)4Br7(CH3CN)Br3]ψ2CH3CNψ2.5C6H5CH3","","","- C71.5 H61 Br10 N27 Ni4 -","- C71.5 H61 Br10 N27 Ni4 -","- C286 H244 Br40 N108 Ni16 -","4","1","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.209","0.0646","","","0.1469","0.2046","","","","","","0.956","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111914","14.118","0.003","17.09","0.003","21.774","0.004","94.87","0.03","91.43","0.03","97.47","0.03","5186.7","1.8","110","2","173","2","","","","","","","","6","P -1","-P 1","2","[Ni4(bptz)4(CH3CN)8][BF4]8ψ4CH3CN","","","- C72 H68 B8 F32 N36 Ni4 -","- C72 H68 B8 F32 N36 Ni4 -","- C144 H136 B16 F64 N72 Ni8 -","2","1","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1544","0.087","","","0.2056","0.243","","","","","","1.03","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111915","13.924","0.001","17.071","0.001","21.94","0.001","94.458","0.001","92.51","0.001","97.79","0.001","5143.5","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","[Zn4(bptz)4(CH3CN)8][BF4]8ψ4CH3CN","","","- C72 H68 B8 F32 N36 Zn4 -","- C72 H68 B8 F32 N36 Zn4 -","- C144 H136 B16 F64 N72 Zn8 -","2","1","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1339","0.0695","","","0.1914","0.2368","","","","","","1.048","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111916","8.639","0.005","10.856","0.005","12.362","0.005","98.355","0.005","104.675","0.005","97.317","0.005","1093.2","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","[Ni2(bptz)(CH3CN)8][ClO4]4","","","- C28 H32 Cl4 N14 Ni2 O16 -","- C28 H32 Cl4 N14 Ni2 O16 -","- C28 H32 Cl4 N14 Ni2 O16 -","1","0.5","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1285","0.0612","","","0.1411","0.1785","","","","","","0.973","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111917","9.135","0.0018","10.859","0.002","14.631","0.003","99.48","0.03","107.53","0.03","102.27","0.03","1311","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","{[Mn(bptz)(CH3CN)2][BF4]2}%ψ1.5nCH3CN","","","- C38 H37 B4 F16 Mn2 N19 -","- C38 H37 B4 F16 Mn2 N19 -","- C38 H37 B4 F16 Mn2 N19 -","1","0.5","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1226","0.0528","","","0.113","0.1392","","","","","","0.907","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111918","17.353","0.001","18.956","0.001","19.884","0.001","99.42","","100.11","0.01","93.68","","6323.2","0.6","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C120 H131 N17 O20 -","- C120 H127 N17 O20 -","- C240 H254 N34 O40 -","2","2","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","1.54178","CuKα","","0.1506","0.1398","","","0.3659","0.3802","","","","","","1.251","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111919","17.126","0.001","19.1","0.001","20.095","0.001","74.62","","78.47","0.01","84.68","","6204.4","0.6","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C128 H129 N17 O20 -","- C128 H129 N17 O20 -","- C256 H258 N34 O40 -","2","2","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","1.54178","CuKα","","0.188","0.1484","","","0.372","0.4119","","","","","","1.552","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111920","13.271","0.001","14.131","0.001","20.652","0.001","90.15","0.01","104.04","0.01","117.1","0.01","3315.9","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C70.5 H76 N9 O10 -","- C70.5 H75.5 N9 O10 -","- C141 H151 N18 O20 -","2","1","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","0.71073","MoKα","","0.1357","0.0837","","","0.2367","0.2883","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111921","17.8823","0.0008","17.9987","0.0008","21.8143","0.0009","86.313","0.003","69.151","0.003","74.408","0.003","6316.1","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C140 H151 N17 O18 -","- C140.75 H149.25 N17 O18 -","- C281.5 H298.5 N34 O36 -","2","1","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","1.54178","CuKα","","0.1445","0.1132","","","0.3723","0.4161","","","","","","1.029","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111922","25.7295","0.0003","13.5967","0.0002","45.464","0.0003","90","","102.6","0.001","90","","15521.9","0.3","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Fe N28 O14 -","- C52 H52 Fe N28 O14 -","- C416 H416 Fe8 N224 O112 -","8","2","","Woo Sung Jeon; Kwangyul Moon; Sang Hyun Park; Hyungpil Chun; Young Ho Ko; Jin Yong Lee; Eun Sung Lee; S. Samal; N. Selvapalam; Mikhail V. Rekharsky; Vladimir Sindelar; David Sobransingh; Yoshihisa Inoue; Angel E. Kaifer; Kimoon Kim","Complexation of Ferrocene Derivatives by the Cucurbit[7]uril Host: A Comparative Study of the Cucurbituril and Cyclodextrin Host Families","Journal of the American Chemical Society","2005","127","","12984","12989","10.1021/ja052912c","","","0.71073","MoKα","","0.1243","0.0812","","","0.2046","0.2339","","","","","","1.047","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111923","8.875","0.0016","11.612","0.002","15.488","0.003","82.465","0.004","86.737","0.004","74.056","0.004","1521.1","0.5","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","beta-aminodisulfide","N1-(1S*,2S*)-2-[((1S*,2S*)-1,3-dimethyl-2-[(4- methylphenyl) sulfonyl]aminobutyl)disulfanyl]-1-isopropylpropyl-4-methyl-1-benzenesulfonamide","","- C26 H40 N2 O4 S4 -","- C26 H40 N2 O4 S4 -","- C52 H80 N4 O8 S8 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.1424","0.0617","","","0.0937","0.1093","","","","","","0.935","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111924","5.17","0.003","29.506","0.017","8.522","0.005","90","","100.04","0.01","90","","1280.1","1.3","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Amino thiirane","N1-[(2R*,3R*)-3-methylthiiran-2-yl]methyl-4-methyl-1-benzenesulfonamide","","- C11 H15 N O2 S2 -","- C11 H15 N O2 S2 -","- C44 H60 N4 O8 S8 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0687","0.0551","","","0.1279","0.1339","","","","","","1.191","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111925","12.47","0.007","7.347","0.004","15.965","0.009","90","","112.404","0.009","90","","1352.3","1.3","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","cyclic aminodisulfide","N1-[(3R*,4S*)-3-methyl-1,2-dithiolan-4-yl] methyl-4-methyl-1-benzenesulfonamide","","- C11 H15 N O2 S3 -","- C11 H15 N O2 S3 -","- C44 H60 N4 O8 S12 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0654","0.0539","","","0.1401","0.1458","","","","","","1.092","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111926","10.1","0.002","6.3264","0.0013","20.753","0.004","90","","94.225","0.004","90","","1322.4","0.5","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Tetrahydro aminothiephene","N1-[(3S*)-3-methyltetrahydro-3-thiophenyl]-4-methyl-1-benzenesulfonamide","","- C12 H17 N O2 S2 -","- C12 H17 N O2 S2 -","- C48 H68 N4 O8 S8 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0808","0.0754","","","0.2323","0.2373","","","","","","1.096","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111927","12.384","0.002","7.4375","0.0012","14.612","0.002","90","","105.943","0.003","90","","1294.1","0.3","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","trans-aziridine epoxide","(1aR*2aR*3aS*4aS*-3-[(4-methylphenyl)sulfonyl] perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0451","0.0394","","","0.118","0.122","","","","","","1.073","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111928","10.879","0.008","6.214","0.004","13.814","0.01","90","","106.637","0.01","90","","894.8","1.1","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Thia-bicyclononane","N1-[(1R,4S,5R,8R)-4,8-dimethyl-7-oxo-2-thiabicyclo[3.3.1] non-4-yl]-4-methyl-1-benzenesulfonamide","","- C17 H23 N O3 S2 -","- C17 H23 N O3 S2 -","- C34 H46 N2 O6 S4 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0325","0.0313","","","0.0849","0.086","","","","","","1.128","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111929","6.688","0.004","10.74","0.007","12.092","0.008","99.613","0.009","99.698","0.009","97.747","0.009","832.2","0.9","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","Bridged disulfide","N1-[(1S*2R*4R*5S*)-4-hydroxy-6,7-dithiabicyclo[3.2.1]oct-2-yl]- 4-methyl-1-benzenesulfonamide","","- C13 H17 N O3 S3 -","- C13 H17 N O3 S3 -","- C26 H34 N2 O6 S6 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0645","0.0506","","","0.1393","0.1475","","","","","","1.127","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111930","8.4144","0.0005","13.3381","0.0008","15.0488","0.0009","90","","90","","90","","1688.96","0.17","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","Carvone-epoxyaziridine","(1aS,4S,5aS)-1a-methyl-4-(2R)-2-methyl-1-[(4-methylphenyl) sulfonyl]aziran-2-ylperhydro-1-benzoxiren-2-one","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0306","0.0291","","","0.0805","0.0818","","","","","","1.046","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111931","8.098","0.004","10.373","0.006","21.581","0.012","90","","90","","90","","1812.8","1.7","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","Thia-bicyclononane derivative","N1-[(1S,4R,5S,7R)-7-hydroxy-1,4-dimethyl-8-oxo-2-thiabicyclo[3.2.2] non-4-yl]-4-methyl-1-benzenesulfonamide","","- C17 H23 N O4 S2 -","- C17 H23 N O4 S2 -","- C68 H92 N4 O16 S8 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0359","0.035","","","0.093","0.0938","","","","","","1.113","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111932","11.8179","0.0017","15.425","0.002","11.8406","0.0016","90","","110.502","0.002","90","","2021.7","0.5","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","diamino tetrahydrothiophene","N1-((3R,4R)-4-[(4-methylphenyl)sulfonyl]aminotetrahydro-3-thiophenyl)- 4-methyl-1-benzenesulfonamide","","- C18 H22 N2 O4 S3 -","- C18 H22 N2 O4 S3 -","- C72 H88 N8 O16 S12 -","4","2","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0709","0.0491","","","0.0976","0.1071","","","","","","1.051","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111933","6.448","0.0008","14.3862","0.0018","22.735","0.003","90","","90","","90","","2108.9","0.5","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","Cyclic diaminosulfide","N1-((4R,5R)-5-[(4-methylphenyl)sulfonyl]amino-1,2-dithian-4-yl)- 4-methyl-1-benzenesulfonamide","","- C18 H22 N2 O4 S4 -","- C18 H22 N2 O4 S4 -","- C72 H88 N8 O16 S16 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","x-ray","0.71073","MoKα","","0.068","0.0633","","","0.1333","0.1354","","","","","","1.254","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111934","9.941","0.006","9.161","0.005","15.046","0.009","90","","109.232","0.009","90","","1293.8","1.3","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Diamino thiepane","N1-((3aR,4R,8R,8aR)-2,2-dimethyl-8-[(4-methylphenyl)sulfonyl] aminoperhydrothiepino[4,5-d][1,3]dioxol-4-yl)-4-methyl-1-benzenesulfonamide","","- C23 H30 N2 O6 S3 -","- C23 H30 N2 O6 S3 -","- C46 H60 N4 O12 S6 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0474","0.0401","","","0.0927","0.0955","","","","","","1.046","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111935","10.06","0.0012","10.06","0.0012","10.06","0.0012","90","","90","","90","","1018.1","0.2","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Platinumhexaindiumoxidegermanate","","- Ge2 In6 O9 Pt -","- Ge2 In6 O9 Pt -","- Ge8 In24 O36 Pt4 -","4","0.0208333","","Jürgen Köhler; Holger Friedrich; Myung-Hwan Whangbo; Antoine Villesuzanne","Synthesis and Characterization of [PtIn6](GeO4)2O and Its Solid Solution [PtIn6](GaO4)2-x(GeO4)xOx/2 (0 <=x<= 2): Gradual Color Change of the Solid Solution from Black (x= 0) to Yellow (x= 2) as a Consequence of Quantum Dot Effect","Journal of the American Chemical Society","2005","127","","12990","12996","10.1021/ja053280x","","","0.71073","MoKα","","0.0165","0.0162","","","0.042","0.0421","","","","","","1.39","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4111936","13.5027","0.0004","13.5027","0.0004","13.5027","0.0004","90","","90","","90","","2461.85","0.13","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu10.5 Ga7.39 Mg0.17 Sc3 -","- Cu10.5 Ga7.386 Mg0.174 Sc3 -","- Cu84 Ga59.088 Mg1.392 Sc24 -","8","0.166667","","Qisheng Lin; John D. Corbett","Electronic Tuning of Mg2Cu6Ga5. A Route to Crystalline Approximant and Quasicrystalline Phases","Journal of the American Chemical Society","2005","127","","12786","12787","10.1021/ja0539645","","","0.71073","MoKα","","0.0498","0.0438","","","0.1003","0.1039","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111937","13.5005","0.0004","13.5005","0.0004","13.5005","0.0004","90","","90","","90","","2460.65","0.13","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu10.5 Ga7.25 Mg0.17 Sc3 -","- Cu10.5 Ga7.247 Mg0.168 Sc3 -","- Cu84 Ga57.976 Mg1.344 Sc24 -","8","0.166667","","Qisheng Lin; John D. Corbett","Electronic Tuning of Mg2Cu6Ga5. A Route to Crystalline Approximant and Quasicrystalline Phases","Journal of the American Chemical Society","2005","127","","12786","12787","10.1021/ja0539645","","","0.71073","MoKα","","0.0453","0.0427","","","0.1026","0.1041","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111938","28.5344","0.0008","28.5344","0.0008","12.2148","0.0005","90","","90","","120","","8613","0.5","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","Tb(BTB)(H2O), 2(C6H11OH)","aqua-Terbium(III) trisbenzoate, cyclohexanol solvate","","- C39 H39 O9 Tb -","- C39 H39 O9 Tb -","- C351 H351 O81 Tb9 -","9","0.5","","Thomas Devic; Christian Serre; Nathalie Audebrand; Jérôme Marrot; Gérard Férey","MIL-103, A 3-D Lanthanide-Based Metal Organic Framework with Large One-Dimensional Tunnels and A High Surface Area","Journal of the American Chemical Society","2005","127","","12788","12789","10.1021/ja053992n","","","0.71073","MoKα","","0.0628","0.0427","","","0.1033","0.1288","","","","","","1.11","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111939","9.8426","0.0012","18.821","0.002","22.748","0.003","90","","91.684","0.002","90","","4212.2","0.9","206","2","206","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H66 Fe N3 Si2 -","- C41 H66 Fe N3 Si2 -","- C164 H264 Fe4 N12 Si8 -","4","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst","Journal of the American Chemical Society","2005","127","","13019","13029","10.1021/ja054152b","","","0.71073","MoKα","","0.105","0.0623","","","0.1399","0.1552","","","","","","1.036","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111940","9.61","0.003","10.865","0.003","22.115","0.007","89.135","0.005","85.805","0.006","66.61","0.005","2113.4","1.1","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H65 Fe N3 Si2 -","- C41 H65 Fe N3 Si2 -","- C82 H130 Fe2 N6 Si4 -","2","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst","Journal of the American Chemical Society","2005","127","","13019","13029","10.1021/ja054152b","","","0.71073","MoKα","","0.1298","0.0721","","","0.1272","0.1443","","","","","","1.011","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111941","11.574","0.003","18.331","0.005","21.787","0.005","90","","96.094","0.005","90","","4596","2","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H66 Cl Fe Li N3 O3 -","- C45 H66 Cl Fe Li N3 O3 -","- C180 H264 Cl4 Fe4 Li4 N12 O12 -","4","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst","Journal of the American Chemical Society","2005","127","","13019","13029","10.1021/ja054152b","","","0.71073","MoKα","","0.1129","0.0783","","","0.154","0.1686","","","","","","1.065","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111942","15.998","0.019","27.61","0.03","24.9","0.03","90","","97.75","0.02","90","","10898","2","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H86 Fe Li N3 O4 Si -","- C53 H86 Fe Li N3 O4 Si -","- C424 H688 Fe8 Li8 N24 O32 Si8 -","8","2","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst","Journal of the American Chemical Society","2005","127","","13019","13029","10.1021/ja054152b","","","0.71073","MoKα","","0.1039","0.0688","","","0.1518","0.1685","","","","","","1.008","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111943","9.2892","0.0008","10.5046","0.0009","16.1275","0.0014","90","","96.198","0.001","90","","1564.5","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Br O5 -","- C15 H19 Br O5 -","- C60 H76 Br4 O20 -","4","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.0401","0.0323","","","0.0837","0.0876","","","","","","1.072","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111944","7.9639","0.0003","23.3702","0.0008","8.5236","0.0003","90","","99.8561","0.0006","90","","1562.98","0.1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br O5 -","- C15 H19 Br O5 -","- C60 H76 Br4 O20 -","4","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.0301","0.0252","","","0.0656","0.0677","","","","","","1.036","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111945","10.2249","0.0006","9.8448","0.0006","15.8781","0.001","90","","105.382","0.001","90","","1541.07","0.16","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br O5 -","- C15 H19 Br O5 -","- C60 H76 Br4 O20 -","4","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.031","0.0266","","","0.0664","0.0685","","","","","","1.078","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111946","7.8495","0.0009","33.138","0.004","7.8963","0.0009","90","","102.652","0.002","90","","2004.1","0.4","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C88 H96 O28 -","4","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.1168","0.0514","","","0.1051","0.1322","","","","","","0.995","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111947","7.6045","0.001","8.7072","0.0012","15.59","0.002","75.876","0.002","82.717","0.002","80.088","0.002","982.2","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C44 H48 O14 -","2","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.0962","0.0498","","","0.1139","0.1378","","","","","","1.012","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111948","11.287","0.003","12.574","0.003","12.667","0.003","91.95","0.004","109.062","0.003","92.205","0.004","1695.8","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H26 Cl2 N4 O8 Pd -","- C37 H26 Cl2 N4 O8 Pd -","- C74 H52 Cl4 N8 O16 Pd2 -","2","1","","Allison R. Dick; Jeff W. Kampf; Melanie S. Sanford","Unusually Stable Palladium(IV) Complexes: Detailed Mechanistic Investigation of C-O Bond-Forming Reductive Elimination","Journal of the American Chemical Society","2005","127","","12790","12791","10.1021/ja0541940","","","0.71073","MoKα","","0.0501","0.0425","","","0.1152","0.1213","","","","","","1.07","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111949","10.479","0.001","10.8719","0.0009","15.033","0.002","89.295","0.003","86.88","0.002","61.205","0.003","1498.5","0.3","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H47 Ni O P -","- C34 H47 Ni O P -","- C68 H94 Ni2 O2 P2 -","2","1","","Sensuke Ogoshi; Mizu Ueta; Tomoya Arai; Hideo Kurosawa","AlMe3-Promoted Oxidative Cyclization of η2-Alkene and η2-Ketone on Nickel(0). Observation of Intermediate in Methyl Transfer Process","Journal of the American Chemical Society","2005","127","","12810","12811","10.1021/ja0542486","","","0.7107","MoKα","","","0.095","","","","0.079","","","","","","19.951","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111950","12.1325","0.0005","12.228","0.0006","14.3338","0.0007","68.703","0.001","74.016","0.003","88.774","0.003","1897.34","0.16","273.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H56 Al Ni O P -","- C24.6667 H37.3333 Al0.666667 Ni0.666667 O0.666667 P0.666667 -","- C74 H112 Al2 Ni2 O2 P2 -","3","1.5","","Sensuke Ogoshi; Mizu Ueta; Tomoya Arai; Hideo Kurosawa","AlMe3-Promoted Oxidative Cyclization of η2-Alkene and η2-Ketone on Nickel(0). Observation of Intermediate in Methyl Transfer Process","Journal of the American Chemical Society","2005","127","","12810","12811","10.1021/ja0542486","","","0.7107","MoKα","","","0.062","","","","0.099","","","","","","5.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111951","8.7914","0.0004","8.7914","0.0004","25.7475","0.0019","90","","90","","120","","1723.38","0.17","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C12 H54 N8 O22 P4 Zn3 -","- C12 H54 N8 O22 P4 Zn3 -","- C24 H108 N16 O44 P8 Zn6 -","2","0.166667","","Yueh-Chun Liao; Yao-Chen Jiang; Sue-Lein Wang","Discrete Water Hexamers and Template-Assisted Molecular Recognition in an Elastic Zincophosphate Lattice","Journal of the American Chemical Society","2005","127","","12794","12795","10.1021/ja054357k","","","0.71073","MoKα","","0.0481","0.0438","","","0.1032","0.1048","","","","","","1.208","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111952","15.0239","0.0009","8.5826","0.0005","36.299","0.002","90","","100.684","0.001","90","","4599.4","0.5","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H54 N8 O24 P4 Zn3 -","- C28 H52 N8 O24 P4 Zn3 -","- C112 H208 N32 O96 P16 Zn12 -","4","0.5","","Yueh-Chun Liao; Yao-Chen Jiang; Sue-Lein Wang","Discrete Water Hexamers and Template-Assisted Molecular Recognition in an Elastic Zincophosphate Lattice","Journal of the American Chemical Society","2005","127","","12794","12795","10.1021/ja054357k","","","0.71073","MoKα","","0.0556","0.049","","","0.1221","0.1248","","","","","","1.286","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111953","25.214","0.001","11.4673","0.0004","21.2735","0.0009","90","","94.362","0.003","90","","6133.1","0.4","173.2","","173.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H78 N6 O2 P2 Si4 Zr2 -","- C56 H78 N6 O2 P2 Si4 Zr2 -","- C224 H312 N24 O8 P8 Si16 Zr8 -","4","0.5","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.7107","MoKα","","0.0538","0.03","","0.0847","","0.0847","","","1.063","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111954","25.13","0.0009","26.7178","0.001","27.4226","0.001","90","","114.884","0.002","90","","16702.7","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H100 N6 P4 Si8 Ti2 -","- C62 H100 N6 P4 Si8 Ti2 -","- C496 H800 N48 P32 Si64 Ti16 -","8","1","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.71069","MoKα","","0.1052","0.0621","","","0.1795","0.1979","","","","","","1.011","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111955","8.6354","0.0007","20.9776","0.0016","8.8355","0.0007","90","","92.563","0.004","90","","1598.9","0.2","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H39 Cl2 N2 O P Si2 Ti -","- C28 H39 Cl2 N2 O P Si2 Ti -","- C56 H78 Cl4 N4 O2 P2 Si4 Ti2 -","2","1","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.71069","MoKα","","0.0656","0.049","","","0.1104","0.1183","","","","","","0.959","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111956","15.764","0.0009","17.9296","0.001","22.562","0.0014","90","","96.006","0.002","90","","6342","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H78 N6 P2 Si4 Ti2 -","- C62 H78 N6 P2 Si4 Ti2 -","- C248 H312 N24 P8 Si16 Ti8 -","4","1","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.71069","MoKα","","0.0736","0.0595","","","0.1442","0.1558","","","","","","1.056","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111957","14.8445","0.0008","23.8182","0.0013","26.326","0.0014","90","","100.51","0.001","90","","9151.9","0.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41.5 H46 F12 N7 O2.5 P2 Ru -","- C41.5 H46 F12 N7 O2.5 P2 Ru -","- C332 H368 F96 N56 O20 P16 Ru8 -","8","1","","Ruifa Zong; Randolph P. Thummel","A New Family of Ru Complexes for Water Oxidation","Journal of the American Chemical Society","2005","127","","12802","12803","10.1021/ja054791m","","","0.71073","MoKα","","0.0852","0.0575","","","0.1471","0.171","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111958","20.2268","0.0003","20.8583","0.0005","19.3017","0.0004","90","","90","","90","","8143.3","0.3","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H62 N3 Na O Zn -","- C36 H62 N3 Na O Zn -","- C288 H496 N24 Na8 O8 Zn8 -","8","1","","Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey","Trapping, Stabilization, and Characterization of an Enolate Anion of a 1,6-Adduct of Benzophenone Chelated by a Sodium Alkylamidozincate Cation","Journal of the American Chemical Society","2005","127","","13106","13107","10.1021/ja053756c","","","0.71073","MoKα","","0.0944","0.0502","","","0.1319","0.1469","","","","","","1.085","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111959","12.8817","0.0006","17.4734","0.0008","17.0293","0.0008","90","","111.575","0.001","90","","3564.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Cd2 N8 Se10.11 Yb4 -","- C64 H60 Cd2 N8 Se10.104 Yb4 -","- C128 H120 Cd4 N16 Se20.208 Yb8 -","2","0.5","","Anna Kornienko; Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Heterometallic Chalcogenido Clusters Containing Lanthanides and Main Group Metals: Emissive Precursors to Ternary Solid-State Compounds","Journal of the American Chemical Society","2005","127","","14008","14014","10.1021/ja0534708","","","0.71073","MoKα","","0.0976","0.0526","","","0.0998","0.1107","","","","","","0.998","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111960","12.907","0.0006","17.5001","0.0008","16.9594","0.0008","90","","111.849","0.001","90","","3555.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Hg2 N8 Se10.08 Yb4 -","- C64 H60 Hg2 N8 Se10.078 Yb4 -","- C128 H120 Hg4 N16 Se20.156 Yb8 -","2","0.5","","Anna Kornienko; Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Heterometallic Chalcogenido Clusters Containing Lanthanides and Main Group Metals: Emissive Precursors to Ternary Solid-State Compounds","Journal of the American Chemical Society","2005","127","","14008","14014","10.1021/ja0534708","","","0.71073","MoKα","","0.0664","0.0415","","","0.0843","0.0924","","","","","","1.009","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111961","10.6357","0.0016","39.908","0.006","13.825","0.002","90","","94.514","0.003","90","","5849.8","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H81 Cl Cr N2 O2 P -","- C39.5707 H61.5933 Cl0.666667 Cr0.666667 N1.33333 O2.89267 P0.666667 -","- C237.424 H369.56 Cl4 Cr4 N8 O17.356 P4 -","6","1.5","","Donald J. Darensbourg; Ryan M. Mackiewicz","Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes","Journal of the American Chemical Society","2005","127","","14026","14038","10.1021/ja053544f","","","0.71073","MoKα","","0.2798","0.0998","","","0.2045","0.2705","","","","","","1.052","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111962","11.00658","0.00016","3.95831","0.0002","6.85542","0.00029","90","","90","","90","","298.67","0.02","","","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Cu0.73 La Mo0.25 O3 Zn0.03 -","- Cu0.725 La Mo0.25 O3 Zn0.025 -","- Cu2.9 La4 Mo O12 Zn0.1 -","4","0.5","","Guobao Li; Liping You; Wutao Wei; Yue Lu; Jing Ju; Anders Wannberg; Håkan Rundlöf; Xiaodong Zou; Tao Yang; Shujian Tian; Fuhui Liao; Naoki Toyota; Jianhua Lin","La4Cu3-xZnxMoO12: Zinc-Doped Cuprates with Kagomé Lattices","Journal of the American Chemical Society","2005","127","","14094","14099","10.1021/ja053489a","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08048","","2.89","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4111963","7.8771","0.0016","11.924","0.002","16.046","0.003","80.722","0.004","84.914","0.003","84.786","0.003","1477.1","0.5","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 Ir2 O12 -","- C24 H40 Ir2 O12 -","- C48 H80 Ir4 O24 -","2","1","","William J. Tenn; Kenneth J. H. Young; Gaurav Bhalla; Jonas Oxgaard; William A. Goddard; Roy A. Periana","CH Activation with an O-Donor Iridium-Methoxo Complex","Journal of the American Chemical Society","2005","127","","14172","14173","10.1021/ja051497l","","","0.71073","MoKα","","0.0975","0.0602","","","0.1361","0.1484","","","","","","1.001","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111964","11.2909","0.0008","13.7659","0.001","13.924","0.001","90","","90","","90","","2164.2","0.3","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H23 Cl3 Ir N O5 -","- C17 H23 Cl3 Ir N O5 -","- C68 H92 Cl12 Ir4 N4 O20 -","4","0.5","","William J. Tenn; Kenneth J. H. Young; Gaurav Bhalla; Jonas Oxgaard; William A. Goddard; Roy A. Periana","CH Activation with an O-Donor Iridium-Methoxo Complex","Journal of the American Chemical Society","2005","127","","14172","14173","10.1021/ja051497l","","","0.71073","MoKα","","0.0246","0.022","","","0.066","0.0672","","","","","","1.06","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111965","3.23439","0.00007","3.23439","","5.25266","","90","","90","","120","","47.5877","0.001","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Mg -","- Mg -","- Mg2 -","2","0.0833333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111966","4.5288","","4.5288","","3.0177","","90","","90","","90","","61.893","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- D1.29 Mg -","- D1.3 Mg -","- D2.6 Mg2 -","2","0.125","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111967","4.52026","0.00006","4.52026","","3.02593","0.00006","90","","90","","90","","61.8281","0.0015","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- D1.95 Mg -","- D1.9512 Mg -","- D3.9024 Mg2 -","2","0.125","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111968","4.227","","4.227","","4.227","","90","","90","","90","","75.526","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111969","3.3279","","3.3279","","3.3279","","90","","90","","90","","36.856","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111970","3.438","","3.438","","3.438","","90","","90","","90","","40.637","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- D0.83 Nb -","- D0.83214 Nb -","- D1.66428 Nb2 -","2","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111971","4.07047","","4.07047","","4.07047","","90","","90","","90","","67.443","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Mg0.33 Nb1.67 O3 -","- Mg0.3333 Nb1.6667 O3 -","- Mg0.3333 Nb1.6667 O3 -","1","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111972","15.536","0.002","9.107","0.0008","28.617","0.003","90","","95.15","0.004","90","","4032.6","0.8","173.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H28 Cl3 O3 P Ru -","- C15.5 H28 Cl3 O3 P Ru -","- C124 H224 Cl24 O24 P8 Ru8 -","8","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0359","","","","0.0952","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111973","9.449","0.006","16.93","0.01","13.252","0.008","90","","90","","90","","2120","2","223.2","","","","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C15 H27 Mo O4 P Ru S3 -","- C15 H27 Mo O4 P Ru S3 -","- C60 H108 Mo4 O16 P4 Ru4 S12 -","4","0.5","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0396","","","","0.0879","","","","","","0.836","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111974","8.934","0.004","23.35","0.01","13.258","0.007","90","","96.171","0.007","90","","2750","2","173.2","","","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C16.4 H29.1 Cu I Mo N0.7 O4 P Ru S3 -","- C16.4 H29.1 Cu I Mo N0.7 O4 P Ru S3 -","- C65.6 H116.4 Cu4 I4 Mo4 N2.8 O16 P4 Ru4 S12 -","4","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0576","","","","0.1599","","","","","","0.809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111975","16.036","0.009","11.237","0.006","15.621","0.009","90","","93.755","0.009","90","","2809","3","223.2","","","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C18 H33 Cu I Mo O4 P Ru S3 -","- C18 H33 Cu I Mo O4 P Ru S3 -","- C72 H132 Cu4 I4 Mo4 O16 P4 Ru4 S12 -","4","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0567","","","","0.1447","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111976","37.63","0.02","9.293","0.004","19.393","0.009","90","","110.535","0.005","90","","6351","5","173.2","","","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 Cu2 I2 Mo N O5 P Ru S3 -","- C18 H34 Cu2 I2 Mo N O5 P Ru S3 -","- C144 H272 Cu16 I16 Mo8 N8 O40 P8 Ru8 S24 -","8","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0534","","","","0.1652","","","","","","0.74","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111977","9.545","0.002","18.288","0.003","31.466","0.006","90","0.0007","97.502","0.0007","90","0.0007","5445.7","1.8","173.2","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C15 H27 Cu2 I2 Mo O4 P Ru S3 -","- C15 H27 Cu2 I2 Mo O4 P Ru S3 -","- C120 H216 Cu16 I16 Mo8 O32 P8 Ru8 S24 -","8","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0416","","","","0.085","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111978","9.395","0.004","16.327","0.007","19.521","0.009","90","","95.777","0.005","90","","2979","2","223.2","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 Cu2 I2 Mo O4 P Ru S3 -","- C18 H33 Cu2 I2 Mo O4 P Ru S3 -","- C72 H132 Cu8 I8 Mo4 O16 P4 Ru4 S12 -","4","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0457","","","","0.1188","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111979","7.7179","0.0007","8.5901","0.0008","10.957","0.001","81.449","0.002","80.396","0.002","72.358","0.002","678.82","0.11","100","1","100","1","","","","","","","see text","2","P -1","-P 1","2","","","","- C36 H40 -","- C36 H40 -","- C36 H40 -","1","0.5","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0749","0.0534","","","0.144","0.1535","","","","","","1.098","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111980","9.523","0.004","12.352","0.005","13.559","0.005","63.298","0.006","77.596","0.007","76.146","0.006","1372.8","1","100","1","100","1","","","","","","","see text","2","P -1","-P 1","2","","","","- C36 H40 -","- C36 H40 -","- C72 H80 -","2","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0768","0.0563","","","0.1651","0.1829","","","","","","1.034","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111981","9.042","0.001","18.855","0.001","6.767","0.001","90","","90","","90","","1153.7","0.2","130","","130","","","","","","","","by syntheses","2","P 21 21 2","P 2 2ab","18","","","","- C32 H32 -","- C32 H32 -","- C64 H64 -","2","0.5","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0492","0.039","","","0.0932","0.1005","","","","","","1.038","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111982","18.841","0.001","6.9763","0.0004","20.604","0.001","90","","112.187","0.001","90","","2507.7","0.2","100","1","100","1","","","","","","","see text","2","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 -","- C34 H36 -","- C136 H144 -","4","0.5","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0503","0.0465","","","0.1291","0.1331","","","","","","1.06","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111983","11.736","0.003","16.546","0.004","24.984","0.005","90","","90","","90","","4851","2","297","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C32 H32 -","- C32 H32 -","- C256 H256 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.1009","0.0514","","","0.116","0.1391","","","","","","1.002","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111984","11.8625","0.0006","16.636","0.0008","25.452","0.001","90","","90","","90","","5022.8","0.4","100","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C34 H36 -","- C34 H36 -","- C272 H288 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0753","0.0474","","","0.1017","0.1132","","","","","","1.032","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111985","18.161","0.002","7.3428","0.0007","22.132","0.002","90","","113.698","0.002","90","","2702.5","0.5","110","","110","2","","","","","","","see text","2","P 1 2/a 1","-P 2ya","13","","","","- C36 H40 -","- C36 H40 -","- C144 H160 -","4","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0865","0.0507","","","0.1119","0.1278","","","","","","1.02","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111986","13.267","0.0017","21.482","0.003","16.249","0.002","90","","90.439","0.003","90","","4630.9","1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84 H70 F12 N10 O12 Rh2 S4 -","- C84 H70 F12 N10 O12 Rh2 S4 -","- C168 H140 F24 N20 O24 Rh4 S8 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0839","0.0758","","","0.1792","0.1846","","","","","","1.181","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111987","13.847","0.0016","14.3366","0.0016","9.9933","0.0011","90","","90","","90","","1983.9","0.4","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H12 F6 N2 O8 Rh2 -","- C12 H12 F6 N2 O8 Rh2 -","- C48 H48 F24 N8 O32 Rh8 -","4","0.5","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0571","0.0541","","","0.1101","0.1113","","","","","","1.331","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111988","11.5271","0.0019","16.631","0.003","12.189","0.002","90","","98.614","0.003","90","","2310.4","0.7","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H36 F6 N6 O10 Rh2 S2 -","- C40 H36 F6 N6 O10 Rh2 S2 -","- C80 H72 F12 N12 O20 Rh4 S4 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0457","0.0386","","","0.0659","0.0682","","","","","","0.912","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111989","10.5313","0.0013","19.398","0.003","16.449","0.002","90","","108.052","0.002","90","","3194.9","0.7","193","2","193","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C57 H50 Cl2 F9 N9 O11 Rh2 S3 -","- C57 H50 Cl2 F9 N9 O11 Rh2 S3 -","- C114 H100 Cl4 F18 N18 O22 Rh4 S6 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0303","0.0295","","","0.0791","0.0797","","","","","","1.095","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111990","11.7119","0.0018","14.031","0.002","29.001","0.005","90","","90","","90","","4765.7","1.3","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 F6 N4 O13 Rh2 S2 -","- C34 H64 F6 N4 O13 Rh2 S2 -","- C136 H256 F24 N16 O52 Rh8 S8 -","4","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0798","0.0598","","","0.1271","0.1364","","","","","","1.025","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111991","14.2337","0.0014","13.821","0.0015","20.4729","0.0018","90","","91.568","0.002","90","","4026","0.7","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H72 F12 N8 O16 Rh2 S4 -","- C74 H72 F12 N8 O16 Rh2 S4 -","- C148 H144 F24 N16 O32 Rh4 S8 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.1105","0.0741","","","0.1065","0.1188","","","","","","0.954","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111992","8.2651","0.0019","9.981","0.002","12.202","0.003","90","","97.301","0.004","90","","998.4","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F6 N2 O8 Rh2 -","- C12 H12 F6 N2 O8 Rh2 -","- C24 H24 F12 N4 O16 Rh4 -","2","0.5","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0637","0.0589","","","0.1029","0.1045","","","","","","1.356","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111993","14.513","0.002","17.419","0.002","17.74","0.003","90","","102.554","0.003","90","","4377.5","1.1","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H69 F12 N15 O12 Rh2 S4 -","- C78 H69 F12 N15 O12 Rh2 S4 -","- C156 H138 F24 N30 O24 Rh4 S8 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.055","0.0464","","","0.0917","0.0949","","","","","","1.101","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111994","6.104","0.005","9.386","0.005","32.061","0.005","90","","94.516","0.005","90","","1831.1","1.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-anisyl-1,2-diphenyl-4-methylcyclobutanol","","- C24 H24 O2 -","- C24 H24 O2 -","- C96 H96 O8 -","4","1","","Nidhi Singhal; Apurba L. Koner; Prasenjit Mal; Paloth Venugopalan; Werner M. Nau; Jarugu Narasimha Moorthy","Diastereomer-Differentiating Photochemistry of β-Arylbutyrophenones: Yang Cyclization versus Type II Elimination","Journal of the American Chemical Society","2005","127","","14375","14382","10.1021/ja0523643","","","0.71069","MoKα","","0.0423","0.0397","","","0.0951","0.0967","","","","","","1.023","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111995","5.76","0.001","17.916","0.002","19.174","0.004","90","","98.54","0.01","90","","1956.7","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Aplha-methyl-beta-anisyl-gamma-phenylbutyrophenone","","","- C24 H24 O2 -","- C24 H24 O2 -","- C96 H96 O8 -","4","2","","Nidhi Singhal; Apurba L. Koner; Prasenjit Mal; Paloth Venugopalan; Werner M. Nau; Jarugu Narasimha Moorthy","Diastereomer-Differentiating Photochemistry of β-Arylbutyrophenones: Yang Cyclization versus Type II Elimination","Journal of the American Chemical Society","2005","127","","14375","14382","10.1021/ja0523643","","","0.71073","MoKα","","0.1189","0.0793","","","0.2097","0.2333","","","","","","1.013","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111996","28.367","0.006","14.059","0.003","20.14","0.004","90","","94.21","0.03","90","","8010","3","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H45 Cl2 F6 N6 O13.5 Ru2 -","- C23.5 H42 Cl2 F6 N6 O13.5 Ru2 -","- C188 H336 Cl16 F48 N48 O108 Ru16 -","8","1","","Wing-Ping Yip; Wing-Yiu Yu; Nianyong Zhu; Chi-Ming Che","Alkene cis-Dihydroxylation by [(Me3tacn)(CF3CO2)RuVIO2]ClO4 (Me3tacn = 1,4,7-Trimethyl-1,4,7-triazacyclononane): Structural Characterization of [3 + 2] Cycloadducts and Kinetic Studies","Journal of the American Chemical Society","2005","127","","14239","14249","10.1021/ja0528230","","","0.71069","MoKα","","0.0975","0.0693","","","0.2066","0.222","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111997","17.884","0.004","10.427","0.002","14.204","0.003","90","","103.6","0.03","90","","2574.4","1","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H38 Cl F3 N3 O9 Ru -","- C19 H36 Cl F3 N3 O9 Ru -","- C76 H144 Cl4 F12 N12 O36 Ru4 -","4","1","","Wing-Ping Yip; Wing-Yiu Yu; Nianyong Zhu; Chi-Ming Che","Alkene cis-Dihydroxylation by [(Me3tacn)(CF3CO2)RuVIO2]ClO4 (Me3tacn = 1,4,7-Trimethyl-1,4,7-triazacyclononane): Structural Characterization of [3 + 2] Cycloadducts and Kinetic Studies","Journal of the American Chemical Society","2005","127","","14239","14249","10.1021/ja0528230","","","0.71069","MoKα","","0.0819","0.0484","","","0.1154","0.1331","","","","","","0.935","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111998","31.671","0.006","7.705","0.002","20.991","0.004","90","","95.95","0.03","90","","5094.7","1.9","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 Cl F3 N3 O8 Ru -","- C20 H31 Cl F3 N3 O8 Ru -","- C160 H248 Cl8 F24 N24 O64 Ru8 -","8","1","","Wing-Ping Yip; Wing-Yiu Yu; Nianyong Zhu; Chi-Ming Che","Alkene cis-Dihydroxylation by [(Me3tacn)(CF3CO2)RuVIO2]ClO4 (Me3tacn = 1,4,7-Trimethyl-1,4,7-triazacyclononane): Structural Characterization of [3 + 2] Cycloadducts and Kinetic Studies","Journal of the American Chemical Society","2005","127","","14239","14249","10.1021/ja0528230","","","0.71069","MoKα","","0.1209","0.0691","","","0.1743","0.2036","","","","","","0.907","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111999","9.6313","0.0019","13.189","0.003","17.622","0.004","75.25","0.03","88.95","0.03","81.52","0.03","2140.6","0.9","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","[Fe(TPP)(1-MeIm)(CO)].C6H6","","","- C55 H40 Fe N6 O -","- C55 H40 Fe N6 O -","- C110 H80 Fe2 N12 O2 -","2","1","","Nathan J. Silvernail; Arne Roth; Charles E. Schulz; Bruce C. Noll; W. Robert Scheidt","Heme Carbonyls: Environmental Effects on νC-O and Fe-C/C-O Bond Length Correlations","Journal of the American Chemical Society","2005","127","","14422","14433","10.1021/ja053148x","","x-ray","0.71073","MoKα","","0.0615","0.0459","","","0.1155","0.1259","","","","","","1.024","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4112000","13.1961","0.0002","23.4514","0.0003","14.263","0.0002","90","","105.198","0.001","90","","4259.55","0.11","100","2","100","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","[Fe(TPP)(2MeHIm)(CO)].C7H8","","","- C56 H42 Fe N6 O -","- C56 H34 Fe N6 O -","- C224 H136 Fe4 N24 O4 -","4","1","","Nathan J. Silvernail; Arne Roth; Charles E. Schulz; Bruce C. Noll; W. Robert Scheidt","Heme Carbonyls: Environmental Effects on νC-O and Fe-C/C-O Bond Length Correlations","Journal of the American Chemical Society","2005","127","","14422","14433","10.1021/ja053148x","","x-ray","0.71073","MoKα","","0.0618","0.0446","","","0.1139","0.1252","","","","","","1.028","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112001","15.0577","0.0008","18.8294","0.001","13.7197","0.0007","90","","102.894","0.001","90","","3791.8","0.3","100","2","100","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","[Fe(TPP)(1,2Me~2~Im)(CO)]","","","- C50 H36 Fe N6 O -","- C50 H36 Fe N6 O -","- C200 H144 Fe4 N24 O4 -","4","0.5","","Nathan J. Silvernail; Arne Roth; Charles E. Schulz; Bruce C. Noll; W. Robert Scheidt","Heme Carbonyls: Environmental Effects on νC-O and Fe-C/C-O Bond Length Correlations","Journal of the American Chemical Society","2005","127","","14422","14433","10.1021/ja053148x","","x-ray","0.71073","MoKα","","0.0453","0.0406","","","0.1073","0.1115","","","","","","1.052","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112002","13.1599","0.0005","23.6195","0.0009","14.4695","0.0006","90","","101.561","0.002","90","","4406.3","0.3","100","2","100","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","[Fe(TPP)(1,2DiMeIm)(CO)].C7H8","","","- C56.77 H39.46 Fe N6 O -","- C56.772 H39.456 Fe N6 O -","- C227.088 H157.824 Fe4 N24 O4 -","4","1","","Nathan J. Silvernail; Arne Roth; Charles E. Schulz; Bruce C. Noll; W. Robert Scheidt","Heme Carbonyls: Environmental Effects on νC-O and Fe-C/C-O Bond Length Correlations","Journal of the American Chemical Society","2005","127","","14422","14433","10.1021/ja053148x","","","0.71073","MoKα","","0.0675","0.0487","","","0.1473","0.1559","","","","","","1.12","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112003","15.1322","0.0009","19.277","0.0012","30.218","0.0018","90","","99.309","0.001","90","","8698.6","0.9","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H29 B N6 O P2 Ru -","- C15 H29 B N6 O P2 Ru -","- C240 H464 B16 N96 O16 P32 Ru16 -","16","4","","Yuee Feng; Marty Lail; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Jeffrey L. Petersen","Evidence for the Net Addition of Arene C-H Bonds across a Ru(II)-Hydroxide Bond","Journal of the American Chemical Society","2005","127","","14174","14175","10.1021/ja054101e","","","0.71073","MoKα","","0.0899","0.049","","","0.1019","0.1181","","","","","","0.98","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112004","11.8975","0.0008","12.4108","0.0008","12.7617","0.0008","97.33","0.001","102.134","0.001","104.13","0.001","1754.4","0.2","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H50 B Sc -","- C44 H50 B Sc -","- C88 H100 B2 Sc2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0666","0.0477","","","0.1108","0.1193","","","","","","1.022","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112005","9.951","0.001","17.027","0.002","12.025","0.001","90","","93.335","0.002","90","","2034","0.4","100","1","100","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C44 H30 B F20 Sc -","- C44 H30 B F20 Sc -","- C88 H60 B2 F40 Sc2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1043","0.0645","","","0.1587","0.1799","","","","","","1.037","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112006","13.3636","0.0007","15.06","0.0007","17.7873","0.0009","97.131","0.001","90.604","0.001","91.97","0.001","3549.6","0.3","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H50 B Ti -","- C44 H50 B Ti -","- C176 H200 B4 Ti4 -","4","2","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1079","0.0532","","","0.1074","0.1265","","","","","","0.986","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112007","9.975","0.0008","17.053","0.001","12.0218","0.0009","90","","93.967","0.001","90","","2040.1","0.3","100","1","100","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C44 H30 B F20 Ti -","- C44 H30 B F20 Ti -","- C88 H60 B2 F40 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1286","0.0941","","","0.2505","0.278","","","","","","1.04","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112008","13.3504","0.0007","15.1039","0.0008","17.7288","0.0009","96.341","0.001","90.936","0.001","92.728","0.001","3548.2","0.3","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H50 B V -","- C44 H50 B V -","- C176 H200 B4 V4 -","4","2","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0811","0.0583","","","0.1498","0.164","","","","","","1.035","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112009","11.1664","0.0007","12.8945","0.0008","15.671","0.001","98.4","0.001","109.737","0.001","102.362","0.001","2015.2","0.2","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C44 H30 B F20 V -","- C44 H30 B F20 V -","- C88 H60 B2 F40 V2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.044","0.0394","","","0.1052","0.1084","","","","","","1.021","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112010","10.0041","0.0005","30.858","0.002","18.22","0.001","90","","103.678","0.001","90","","5465.1","0.5","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 B F4 Sc -","- C68 H70 B F4 Sc -","- C272 H280 B4 F16 Sc4 -","4","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0938","0.0551","","","0.1222","0.1388","","","","","","1.016","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112011","11.992","0.001","13.649","0.002","14.883","0.001","90.95","0.01","109.499","0.008","90.865","0.009","2295.5","0.4","130","","130","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C56 H60 B F2 Ti -","- C56 H60 B F2 Ti -","- C112 H120 B2 F4 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","","0.0536","","","0.1407","","","","","","","1.115","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112012","10.574","0.001","15.127","0.002","15.421","0.002","70.485","0.002","84.384","0.002","78.187","0.002","2274.5","0.5","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C50 H35 B F21 Ti -","- C50 H35 B F21 Ti -","- C100 H70 B2 F42 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1342","0.1016","","","0.2974","0.3137","","","","","","1.085","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112013","19.286","0.001","21.404","0.001","20.393","0.001","90","","90.399","0.001","90","","8418","0.7","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 B F2 Sc -","- C50 H54 B F2 Sc -","- C400 H432 B8 F16 Sc8 -","8","2","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1304","0.0707","","","0.179","0.2118","","","","","","1.03","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112014","12.1741","0.0006","13.8252","0.0007","14.7794","0.0007","91.177","0.001","109.854","0.001","93.221","0.001","2333.9","0.2","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C56 H58 B F4 Ti -","- C56 H58 B F4 Ti -","- C112 H116 B2 F8 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0868","0.0603","","","0.1513","0.1676","","","","","","1.021","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112015","15.8365","0.0007","19.0317","0.0009","19.9246","0.0009","90","","91.706","0.001","90","","6002.5","0.5","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H63 B F20 Sc2 -","- C65 H63 B F20 Sc2 -","- C260 H252 B4 F80 Sc8 -","4","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1467","0.0806","","","0.19","0.2265","","","","","","1.018","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112016","10.4868","0.0005","21.575","0.001","18.957","0.001","90","","95.806","0.001","90","","4267.1","0.4","90","","90","2","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 B D16 O2 Sc -","- C52 H50 B D16 O2 Sc -","- C208 H200 B4 D64 O8 Sc4 -","4","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1046","0.0557","","","0.1119","0.1295","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112017","17.995","0.002","13.483","0.001","18.008","0.002","90","","90.06","0.008","90","","4369.2","0.8","130","","130","1","","","","","","","see text","5","P 1 2/c 1","-P 2yc","13","","","","- C52 H66 B O2 Ti -","- C52 H64.776 B O2 Ti -","- C208 H259.104 B4 O8 Ti4 -","4","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","","0.1322","","","0.0535","","","","","","","1.025","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112018","10.3736","0.0006","11.7889","0.0007","16.45","0.001","92.277","0.001","103.375","0.001","92.858","0.001","1952","0.2","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C48 H58 B O V -","- C48 H58 B O V -","- C96 H116 B2 O2 V2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0413","0.0373","","","0.0991","0.1021","","","","","","1.053","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112019","12.479","0.004","8.2482","0.0002","24.018","0.008","90","","91.22","0.0009","90","","2471.6","1.1","293","2","293","2","","","101300","","","","synthesized by our group","2","P 1 21/c 1","-P 2ybc","14","Trans-DPDSB","Trans,trans-2,5-Diphenyl-1,4-distyrylbenzene","","- C34 H26 -","- C34 H26 -","- C136 H104 -","4","1","","Zengqi Xie; Bing Yang; Feng Li; Gang Cheng; Linlin Liu; Guangdi Yang; Hai Xu; Ling Ye; Muddasir Hanif; Shiyong Liu; Dongge Ma; Yuguang Ma","Cross Dipole Stacking in the Crystal of Distyrylbenzene Derivative: The Approach toward High Solid-State Luminescence Efficiency","Journal of the American Chemical Society","2005","127","","14152","14153","10.1021/ja054661d","","x-ray","0.71073","MoKα","","0.2","0.0496","","","0.0938","0.1507","","","","","","0.979","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112020","18.5416","0.0009","15.6225","0.001","7.8136","0.0003","90","","90","","90","","2263.3","0.2","193","2","193","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C58 H50 N6 O Ti3 -","- C58 H50 N6 O Ti3 -","- C116 H100 N12 O2 Ti6 -","2","0.5","","Ingmar M. Piglosiewicz; Ruediger Beckhaus; Wolfgang Saak; Detlev Haase","Dehydroaromatization of Quinoxalines: One-Step Syntheses of Trinuclear 1,6,7,12,13,18-Hexaazatrinaphthylene Titanium Complexes","Journal of the American Chemical Society","2005","127","","14190","14191","10.1021/ja054740p","","","0.71073","MoKα","","0.0983","0.0457","","","0.0712","0.083","","","","","","0.796","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112021","16.5801","0.0007","15.5185","0.0006","7.8465","0.0003","90","","92.691","0.005","90","","2016.66","0.14","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 Ti -","- C28 H22 N2 Ti -","- C112 H88 N8 Ti4 -","4","1","","Ingmar M. Piglosiewicz; Ruediger Beckhaus; Wolfgang Saak; Detlev Haase","Dehydroaromatization of Quinoxalines: One-Step Syntheses of Trinuclear 1,6,7,12,13,18-Hexaazatrinaphthylene Titanium Complexes","Journal of the American Chemical Society","2005","127","","14190","14191","10.1021/ja054740p","","","0.71073","MoKα","","0.0505","0.029","","","0.0591","0.0634","","","","","","0.902","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112022","12.3147","0.0012","13.5887","0.0014","13.6431","0.0014","95.234","0.005","94.864","0.005","99.746","0.005","2229","0.4","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H54 Co N4 O6 -","- C53 H54 Co N4 O6 -","- C106 H108 Co2 N8 O12 -","2","1","","Giannis S. Papaefstathiou; Tomislav Friščić; Leonard R. MacGillivray","Design and Construction of a 2D Metal Organic Framework with Multiple Cavities: A Nonregular Net with a Paracyclophane that Codes for Multiply Fused Nodes","Journal of the American Chemical Society","2005","127","","14160","14161","10.1021/ja054841n","","","0.7107","MoKα","","0.1959","0.0883","","","0.1762","0.2091","","","","","","0.944","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112023","29.601","0.003","29.601","0.003","3.4496","0.0003","90","","90","","90","","3022.6","0.5","293","2","293","2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","","","- C8 H25 Ag6 Cl N16 O7 -","- C8 H25.12 Ag6 Cl N16 O7.16 -","- C32 H100.48 Ag24 Cl4 N64 O28.64 -","4","0.125","","Jie-Peng Zhang; Yan-Yong Lin; Wei-Xiong Zhang; Xiao-Ming Chen","Temperature- or Guest-Induced Drastic Single-Crystal-to-Single-Crystal Transformations of a Nanoporous Coordination Polymer","Journal of the American Chemical Society","2005","127","","14162","14163","10.1021/ja054913a","","","0.71073","MoKα","","0.0602","0.0507","","","0.1247","0.1318","","","","","","1.006","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112024","3.4099","0.0002","39.805","0.003","43.607","0.003","90","","90","","90","","5918.8","0.7","103","2","103","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C8 H25 Ag6 Cl N16 O7 -","- C8 H25 Ag6 Cl N16 O7 -","- C64 H200 Ag48 Cl8 N128 O56 -","8","0.25","","Jie-Peng Zhang; Yan-Yong Lin; Wei-Xiong Zhang; Xiao-Ming Chen","Temperature- or Guest-Induced Drastic Single-Crystal-to-Single-Crystal Transformations of a Nanoporous Coordination Polymer","Journal of the American Chemical Society","2005","127","","14162","14163","10.1021/ja054913a","","","0.71073","MoKα","","0.0725","0.0668","","","0.1637","0.1677","","","","","","1.034","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112025","19.598","0.002","19.598","0.002","3.5015","0.0004","90","","90","","90","","1344.9","0.2","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C8 H17 Ag6 Cl N16 O3 -","- C8 H17 Ag6 Cl N16 O3 -","- C16 H34 Ag12 Cl2 N32 O6 -","2","0.25","","Jie-Peng Zhang; Yan-Yong Lin; Wei-Xiong Zhang; Xiao-Ming Chen","Temperature- or Guest-Induced Drastic Single-Crystal-to-Single-Crystal Transformations of a Nanoporous Coordination Polymer","Journal of the American Chemical Society","2005","127","","14162","14163","10.1021/ja054913a","","","0.71073","MoKα","","0.123","0.0879","","","0.2324","0.2493","","","","","","1.025","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112026","40.7","0.1","6.92","0.02","13.13","0.04","90","","107.96","0.04","90","","3518","17","293.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C11 H6 Cl2 Fe0.5 O3 S6 -","- C11 H6 Cl2 Fe0.5 O3 S6 -","- C88 H48 Cl16 Fe4 O24 S48 -","8","1","","Hideki Fujiwara; Kenji Wada; Takashi Hiraoka; Toshiki Hayashi; Toyonari Sugimoto; Hiroyuki Nakazumi; Keiichi Yokogawa; Masayasu Teramura; Syuma Yasuzuka; Keizo Murata; Takehiko Mori","Stable Metallic Behavior and Antiferromagnetic Ordering of Fe(III) dSpins in (EDO-TTFVO)2.FeCl4","Journal of the American Chemical Society","2005","127","","14166","14167","10.1021/ja055263d","","","0.7107","MoKα","","","0.059","","","","0.07","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112027","8.441","0.002","11.113","0.003","11.41","0.004","90","","90","","90","","1070.3","0.5","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Hélène Lebel; Kim Huard; Sylvain Lectard","N-Tosyloxycarbamates as a Source of Metal Nitrenes: Rhodium-Catalyzed C-H Insertion and Aziridination Reactions","Journal of the American Chemical Society","2005","127","","14198","14199","10.1021/ja0552850","","","1.54178","CuKα","","0.0336","0.0322","","","0.0932","0.0939","","","","","","1.072","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112028","7.7332","0.0002","19.3491","0.0005","23.5497","0.0006","90","","93.034","0.002","90","","3518.81","0.16","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H21.2 B Cl0.8 F15 N2 O2 Pt -","- C34 H21.2 B Cl0.8 F15 N2 O2 Pt -","- C136 H84.8 B4 Cl3.2 F60 N8 O8 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0735","0.0457","","","0.1175","0.1282","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112029","37.1201","0.0015","7.3349","0.0003","23.0216","0.0009","90","","106.85","0.002","90","","5999","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H13 B F15 N3 O2 Pt -","- C30 H13 B F15 N3 O2 Pt -","- C240 H104 B8 F120 N24 O16 Pt8 -","8","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.063","0.0402","","","0.0943","0.104","","","","","","1.029","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112030","11.3484","0.0004","20.7294","0.0006","27.347","0.0009","90","","95.87","0.001","90","","6399.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H14 B F15 N2 O2 Pt -","- C35 H14 B F15 N2 O2 Pt -","- C280 H112 B8 F120 N16 O16 Pt8 -","8","2","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.1239","0.0599","","","0.1309","0.1557","","","","","","0.994","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112031","8.586","0.0001","17.7719","0.0004","22.8225","0.0006","90","","91.922","0.001","90","","3480.52","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H18 B F15 N2 O2 Pt -","- C37 H18 B F15 N2 O2 Pt -","- C148 H72 B4 F60 N8 O8 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.057","0.0354","","","0.078","0.0846","","","","","","1.026","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112032","8.566","0.0002","17.8544","0.0004","22.6002","0.0006","90","","90.04","0.002","90","","3456.49","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 B F15 N2 O Pt -","- C37 H20 B F15 N2 O Pt -","- C148 H80 B4 F60 N8 O4 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0566","0.0356","","","0.0813","0.0873","","","","","","1.056","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112033","14.6798","0.0005","20.7799","0.0006","25.5737","0.0008","90","","91.802","0.002","90","","7797.3","0.4","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H21 B Cl3 F15 N2 O2 Pt -","- C38.5 H21 B Cl3 F15 N2 O2 Pt -","- C308 H168 B8 Cl24 F120 N16 O16 Pt8 -","8","2","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.1233","0.0605","","","0.138","0.163","","","","","","0.956","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112034","10.4214","0.0003","15.1698","0.0004","22.6241","0.0004","90","","96.695","0.002","90","","3552.27","0.15","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H17 B Cl F15 N2 O3 Pt -","- C36.5 H17 B Cl F15 N2 O3 Pt -","- C146 H68 B4 Cl4 F60 N8 O12 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0499","0.0353","","","0.0845","0.0899","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112035","10.6163","0.0004","15.4527","0.0006","22.3982","0.001","90","","92.257","0.002","90","","3671.6","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H19 B Cl F15 N2 O4 Pt -","- C37.5 H19 B Cl F15 N2 O4 Pt -","- C150 H76 B4 Cl4 F60 N8 O16 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0688","0.0416","","","0.0844","0.0932","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112036","10.4892","0.0003","15.4986","0.0005","22.3102","0.0006","90","","95.735","0.002","90","","3608.77","0.18","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H19 B Cl F15 N2 O3 Pt -","- C37.5 H19 B Cl F15 N2 O3 Pt -","- C150 H76 B4 Cl4 F60 N8 O12 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0858","0.068","","","0.169","0.1842","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112037","22.4394","0.0006","8.6159","0.0004","12.873","0.0003","90","","90","","90","","2488.81","0.15","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H31 F6 O4 P Ru -","- C23 H31 F6 O4 P Ru -","- C92 H124 F24 O16 P4 Ru4 -","4","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","1.54178","CuKα","","0.0402","0.039","","","0.1064","0.1082","","","","","","1.074","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112038","11.779","0.002","19.272","0.006","21.152","0.007","90","","92.46","0.02","90","","4797","2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H59 B Cl4 O4 Ru -","- C51 H59 B Cl4 O4 Ru -","- C204 H236 B4 Cl16 O16 Ru4 -","4","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","0.71073","MoKα","","0.1983","0.0975","","","0.2685","0.2227","","","","","","1.027","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112039","18.539","0.002","17.513","0.0019","16.6622","0.0018","90","","90","","90","","5409.8","1","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H35 F3 O7 Ru S -","- C26 H35 F3 O7 Ru S -","- C208 H280 F24 O56 Ru8 S8 -","8","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","0.71073","MoKα","","0.0918","0.0814","","","0.1674","0.1714","","","","","","1.365","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112040","8.9763","0.0005","14.51","0.0008","14.7824","0.0008","62.162","0.0011","76.2329","0.001","73.4473","0.0009","1619.42","0.16","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 I6 Ru2 -","- C24 H36 I6 Ru2 -","- C48 H72 I12 Ru4 -","2","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","0.71073","MoKα","","0.0445","0.0358","","","0.0881","0.0919","","","","","","0.996","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112041","7.3924","0.0004","9.3336","0.0005","11.8117","0.0007","90","","106.229","0.001","90","","782.51","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CALRP04","","","- C17 H17 Br O5 -","- C17 H17 Br O5 -","- C34 H34 Br2 O10 -","2","1","","Michael A. Calter; Ryan M. Phillips; Christine Flaschenriem","Catalytic, Asymmetric, ""Interrupted"" Feist-Bénary Reactions","Journal of the American Chemical Society","2005","127","","14566","14567","10.1021/ja055752d","","","0.71073","MoKα","","0.0264","0.0234","","","0.0588","0.0678","","","","","","1.101","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112042","10.4294","0.0016","27.562","0.004","9.3218","0.0013","90","","99.69","0.01","90","","2641.4","0.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 B F4 Os P -","- C28 H34 B F4 Os P -","- C112 H136 B4 F16 Os4 P4 -","4","1","","Charles Edwin Webster; Christopher L. Gross; Dianna M. Young; Gregory S. Girolami; Arthur J. Schultz; Michael B. Hall; Juergen Eckert","Electronic and Steric Effects on Molecular Dihydrogen Activation in [Cp*OsH4(L)]+ (L = PPh3, AsPh3, and PCy3)","Journal of the American Chemical Society","2005","127","","15091","15101","10.1021/ja052336k","powder diffraction","","","","","","","","","","","","","1.66","","","","","","","has coordinates,has Fobs","178891","2020-10-21","18:00:00",""
"4112043","10.591","0.0016","27.769","0.004","9.292","0.0013","90","","99.61","0.01","90","","2694.4","0.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 As B F4 Os -","- C28 H34 As B F4 Os -","- C112 H136 As4 B4 F16 Os4 -","4","1","","Charles Edwin Webster; Christopher L. Gross; Dianna M. Young; Gregory S. Girolami; Arthur J. Schultz; Michael B. Hall; Juergen Eckert","Electronic and Steric Effects on Molecular Dihydrogen Activation in [Cp*OsH4(L)]+ (L = PPh3, AsPh3, and PCy3)","Journal of the American Chemical Society","2005","127","","15091","15101","10.1021/ja052336k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","178891","2020-10-21","18:00:00",""
"4112044","8.8096","0.0016","9.6314","0.0018","17.1441","0.0032","94.185","0.016","90.014","0.015","101.385","0.016","1422.1","0.5","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 B F4 Os P -","- C28 H52 B F4 Os P -","- C56 H104 B2 F8 Os2 P2 -","2","1","","Charles Edwin Webster; Christopher L. Gross; Dianna M. Young; Gregory S. Girolami; Arthur J. Schultz; Michael B. Hall; Juergen Eckert","Electronic and Steric Effects on Molecular Dihydrogen Activation in [Cp*OsH4(L)]+ (L = PPh3, AsPh3, and PCy3)","Journal of the American Chemical Society","2005","127","","15091","15101","10.1021/ja052336k","powder diffraction","","","","","","","","","","","","","1.72","","","","","","","has coordinates,has Fobs","178891","2020-10-21","18:00:00",""
"4112045","8.1786","0.0005","9.1263","0.0005","28.1355","0.0017","90","","91.539","0.001","90","","2099.3","0.2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 F3 I Ir P -","- C17.5 H24 F3 I Ir P -","- C70 H96 F12 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","0.71073","MoKα","","0.0409","0.0332","","","0.0847","0.0879","","","","","","1.012","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112046","12.5004","0.0018","13.6655","0.0019","10.2598","0.0015","90","","91.923","0.002","90","","1751.6","0.4","218","2","218","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 F2 I Ir P -","- C14 H25 F2 I Ir P -","- C56 H100 F8 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","0.71073","MoKα","","0.0299","0.0277","","","0.0745","0.0757","","","","","","1.06","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112047","13.5264","0.0008","13.6093","0.0009","14.2408","0.0008","90","","99.179","0.005","90","","2587.9","0.3","193","2","193","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H42 N8 P2 -","- C22 H42 N8 P2 -","- C88 H168 N32 P8 -","4","0.5","","Volker Raab; Ekaterina Gauchenova; Alexei Merkoulov; Klaus Harms; Jörg Sundermeyer; Borislav Kovačević; Zvonimir B. Maksić","1,8-Bis(hexamethyltriaminophosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene ""Proton Sponge""","Journal of the American Chemical Society","2005","127","","15738","15743","10.1021/ja052647v","","x-ray","0.71073","MoKα","","0.0367","0.029","","","0.0821","0.0849","","","","","","1.045","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112048","29.5851","0.0017","8.2464","0.0003","25.6284","0.0013","90","","104.096","0.004","90","","6064.3","0.5","193","2","193","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H43 F6 N8 P3 -","- C22 H43 F6 N8 P3 -","- C176 H344 F48 N64 P24 -","8","1","","Volker Raab; Ekaterina Gauchenova; Alexei Merkoulov; Klaus Harms; Jörg Sundermeyer; Borislav Kovačević; Zvonimir B. Maksić","1,8-Bis(hexamethyltriaminophosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene ""Proton Sponge""","Journal of the American Chemical Society","2005","127","","15738","15743","10.1021/ja052647v","","x-ray","0.71069","MoKα","","0.0709","0.0403","","","0.0907","0.0996","","","","","","0.939","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112049","16.804","0.0019","16.7175","0.0019","28.929","0.003","90","","91.455","0.002","90","","8124.1","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C149 H186 Ce8 O15.25 Se18 -","- C148.856 H185.712 Ce8 O15.214 Se18 -","- C297.712 H371.424 Ce16 O30.428 Se36 -","2","0.5","","Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)","Journal of the American Chemical Society","2005","127","","15900","15906","10.1021/ja054261q","","","0.71073","MoKα","","0.0718","0.0448","","","0.115","0.124","","","","","","1.076","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112050","16.8034","0.0015","16.7324","0.0015","28.875","0.003","90","","91.403","0.002","90","","8116.1","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C148.96 H185.9 O15.24 Pr8 Se18 -","- C148.952 H185.904 O15.238 Pr8 Se18 -","- C297.904 H371.808 O30.476 Pr16 Se36 -","2","0.5","","Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)","Journal of the American Chemical Society","2005","127","","15900","15906","10.1021/ja054261q","","","0.71073","MoKα","","0.0609","0.0389","","","0.0913","0.0997","","","","","","0.856","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112051","17.126","0.0011","16.9406","0.0011","28.7584","0.0018","90","","91.299","0.001","90","","8341.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H192 Nd8 O16 Se18 -","- C152 H192 Nd8 O16 Se18 -","- C304 H384 Nd16 O32 Se36 -","2","0.5","","Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)","Journal of the American Chemical Society","2005","127","","15900","15906","10.1021/ja054261q","","","0.71073","MoKα","","0.0722","0.0404","","","0.0926","0.1006","","","","","","1.025","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112052","17.883","0.006","21.011","0.007","22.611","0.008","90","","102.181","0.006","90","","8305","5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C140.9 H169.81 O13.22 Se18 Sm8 -","- C140.904 H169.808 O13.226 Se18 Sm8 -","- C281.808 H339.616 O26.452 Se36 Sm16 -","2","0.5","","Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)","Journal of the American Chemical Society","2005","127","","15900","15906","10.1021/ja054261q","","","0.71073","MoKα","","0.0638","0.0385","","","0.0958","0.1023","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112053","14.3169","0.0003","21.9313","0.0004","33.613","0.0007","90","","99.536","0.001","90","","10408.2","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.27 H65 Cl5.95 N2 O2.11 P Ru -","- C49.2735 H65 Cl5.948 N2 O2.113 P Ru -","- C394.188 H520 Cl47.584 N16 O16.904 P8 Ru8 -","8","1","","Brandon R. Galan; Milan Gembicky; Paulina M. Dominiak; Jerome B. Keister; Steven T. Diver","Carbon Monoxide-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand: Buchner Reaction in a Ruthenium Carbene Complex","Journal of the American Chemical Society","2005","127","","15702","15703","10.1021/ja0545618","","","0.71073","MoKα","","0.0381","0.0341","","","0.0833","0.0862","","","","","","1.04","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112054","37.7428","0.0008","17.4293","0.0004","14.3941","0.0003","90","","102.792","0.001","90","","9233.9","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C183 H274 Cl8 N8 O13 P4 Ru4 -","- C183 H274 Cl8 N8 O13 P4 Ru4 -","- C366 H548 Cl16 N16 O26 P8 Ru8 -","2","0.25","","Brandon R. Galan; Milan Gembicky; Paulina M. Dominiak; Jerome B. Keister; Steven T. Diver","Carbon Monoxide-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand: Buchner Reaction in a Ruthenium Carbene Complex","Journal of the American Chemical Society","2005","127","","15702","15703","10.1021/ja0545618","","","0.71073","MoKα","","0.0395","0.0294","","","0.0686","0.0749","","","","","","1.106","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112055","7.584","0.0002","10.0367","0.0003","12.1367","0.0004","90","","105.843","0.002","90","","888.73","0.05","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Fe2 N2 -","- C22 H20 Fe2 N2 -","- C44 H40 Fe4 N4 -","2","0.5","","Antonio Caballero; Rosario Martínez; Vega Lloveras; Imma Ratera; José Vidal-Gancedo; Klaus Wurst; Alberto Tárraga; Pedro Molina; Jaume Veciana","Highly Selective Chromogenic and Redox or Fluorescent Sensors of Hg2+ in Aqueous Environment Based on 1,4-Disubstituted Azines","Journal of the American Chemical Society","2005","127","","15666","15667","10.1021/ja0545766","","","0.71073","MoKα","","0.0246","0.0226","","","0.0612","0.0626","","","","","","1.081","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112056","7.9113","0.001","10.7582","0.0016","13.113","0.002","83.553","0.018","79.032","0.017","80.968","0.016","1078.2","0.3","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N2 O4.5 -","- C24 H16 N2 O4.5 -","- C48 H32 N4 O9 -","2","1","","Julien Leclaire; Rodolphe Dagiral; Suzanne Fery-Forgues; Yannick Coppel; Bruno Donnadieu; Anne-Marie Caminade; Jean-Pierre Majoral","Octasubstituted Metal-Free Phthalocyanine as Core of Phosphorus Dendrimers: A Probe for the Properties of the Internal Structure","Journal of the American Chemical Society","2005","127","","15762","15770","10.1021/ja054797b","","","0.71073","MoKα","","0.0961","0.058","","","0.1551","0.1752","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112057","9.0468","0.0014","10.5152","0.0016","10.7334","0.0016","110.064","0.002","95.696","0.003","91.331","0.003","952.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","04108","","","- C38 H30 F6 Fe N6 O8 S2 -","- C38 H30 F6 Fe N6 O8 S2 -","- C38 H30 F6 Fe N6 O8 S2 -","1","0.5","","Paul D. Oldenburg; Albert A. Shteinman; Lawrence Que","Iron-Catalyzed Olefincis-Dihydroxylation Using a Bio-Inspired N,N,O-Ligand","Journal of the American Chemical Society","2005","127","","15672","15673","10.1021/ja054947i","","","0.71073","MoKα","","0.0534","0.0406","","","0.08","0.0842","","","","","","1","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112058","19.388","0.006","7.897","0.002","24.479","0.009","90","","91.407","0.01","90","","3747","2","105","","105","","","","","","","","local laboratory","3","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H15 O7.5 -","- C23.5 H12 O7.5 -","- C188 H96 O60 -","8","1","","Weihua Wang; Oleksandr Rusin; Xiangyang Xu; Kyu Kwang Kim; Jorge O. Escobedo; Sayo O. Fakayode; Kristin A. Fletcher; Mark Lowry; Corin M. Schowalter; Candace M. Lawrence; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","Detection of Homocysteine and Cysteine","Journal of the American Chemical Society","2005","127","","15949","15958","10.1021/ja054962n","","","0.71073","MoKα","","0.12","0.058","","","0.119","0.141","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112059","7.891","0.006","21.304","0.015","9.977","0.008","90","","104.8","0.03","90","","1622","2","105","","105","","","","","","","","local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 O6 -","- C21 H12 O6 -","- C84 H48 O24 -","4","1","","Weihua Wang; Oleksandr Rusin; Xiangyang Xu; Kyu Kwang Kim; Jorge O. Escobedo; Sayo O. Fakayode; Kristin A. Fletcher; Mark Lowry; Corin M. Schowalter; Candace M. Lawrence; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","Detection of Homocysteine and Cysteine","Journal of the American Chemical Society","2005","127","","15949","15958","10.1021/ja054962n","","","0.71073","MoKα","","0.235","0.088","","","0.202","0.269","","","","","","0.966","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112060","25.478","0.003","25.873","0.003","26.538","0.003","90","","90","","90","","17494","4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(CB8)2*(ADMHM)2*(I,Cl)4*34H2O","(CB8)2*(ADMHM)2*(I,Cl)4*34H2O","","- C128 H231.26 Cl0.67 I3.33 N68 O66.3 -","- C128 H160 Cl0.668 I3.332 N68 O66.631 -","- C512 H640 Cl2.672 I13.328 N272 O266.524 -","4","1","","Simin Liu; Christian Ruspic; Pritam Mukhopadhyay; Sriparna Chakrabarti; Peter Y. Zavalij; Lyle Isaacs","The Cucurbit[n]uril Family: Prime Components for Self-Sorting Systems","Journal of the American Chemical Society","2005","127","","15959","15967","10.1021/ja055013x","","","0.71073","MoKα","","0.1367","0.0862","","","0.1937","0.2111","","","","","","1.001","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112061","12.516","0.0012","27.964","0.003","25.423","0.002","90","","90","","90","","8898","1.5","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","CB8 diammonium diodide hydrate","CB8 diammonium diodide hydrate","","- C65 H96.54 I2.41 N39 O30.56 -","- C65 H69 I2.4095 N39 O30.5613 -","- C260 H276 I9.638 N156 O122.245 -","4","1","","Simin Liu; Christian Ruspic; Pritam Mukhopadhyay; Sriparna Chakrabarti; Peter Y. Zavalij; Lyle Isaacs","The Cucurbit[n]uril Family: Prime Components for Self-Sorting Systems","Journal of the American Chemical Society","2005","127","","15959","15967","10.1021/ja055013x","","","0.71073","MoKα","","0.09","0.0638","","","0.138","0.1481","","","","","","1","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112062","7.8092","0.0012","10.3674","0.0006","15.709","0.003","90","","90.967","0.012","90","","1271.6","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H16 B9 Co S -","- C7 H16 B9 Co S -","- C28 H64 B36 Co4 S4 -","4","2","","José Giner Planas; Clara Viñas; Francesc Teixidor; Aleix Comas-Vives; Gregori Ujaque; Agustí Lledós; Mark E. Light; Michael B. Hursthouse","Self-Assembly of Mercaptane-Metallacarborane Complexes by an Unconventional Cooperative Effect: A C-H...S-H...H-B Hydrogen/Dihydrogen Bond Interaction","Journal of the American Chemical Society","2005","127","","15976","15982","10.1021/ja055210w","","","0.71073","MoKα","","0.0531","0.0425","","","0.0966","0.1023","","","","","","1.02","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112063","9.4347","0.0008","32.551","0.003","28.94","0.002","90","","90","","90","","8887.7","1.3","129","2","129","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C100 H108 Cu4 N8 O12 -","- C100 H108 Cu4 N8 O12 -","- C400 H432 Cu16 N32 O48 -","4","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0838","0.0423","","","0.0946","0.1163","","","","","","1.022","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112064","8.1841","0.0017","20.087","0.004","12.03","0.003","90","","93.02","0.02","90","","1974.9","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 Br2 Cu2 N4 -","- C46 H44 Br2 Cu2 N4 -","- C92 H88 Br4 Cu4 N8 -","2","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0426","0.0295","","","0.0717","0.0784","","","","","","0.992","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112065","8.2608","0.0013","18.579","0.003","13.608","0.003","90","","106.838","0.011","90","","1999","0.6","122","2","122","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 Cu2 N6 O4 -","- C46 H44 Cu2 N6 O4 -","- C92 H88 Cu4 N12 O8 -","2","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0503","0.0324","","","0.0802","0.0901","","","","","","1.066","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112066","10.2378","0.0008","17.8484","0.0014","14.2634","0.0011","90","","109.865","0.002","90","","2451.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Cl4 Cu2 N6 -","- C52 H60 Cl4 Cu2 N6 -","- C104 H120 Cl8 Cu4 N12 -","2","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0378","0.0311","","","0.0793","0.0884","","","","","","1.097","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112067","5.4034","0.0001","8.6305","0.0003","26.9086","0.0008","90","","90","","90","","1254.86","0.06","120","1","120","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O S -","- C13 H20 O S -","- C52 H80 O4 S4 -","4","1","","Mauro Marigo; Tobias Schulte; Johan Franzén; Karl Anker Jørgensen","Asymmetric Multicomponent Domino Reactions and Highly Enantioselective Conjugated Addition of Thiols to α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2005","127","","15710","15711","10.1021/ja055291w","","x-ray","0.71073","MoKα","","0.0435","0.0321","","","0.0671","0.0713","","","","","","0.985","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112068","10.031","0.004","11.74","0.005","14.711","0.007","103.3","0.02","103.09","0.02","111.77","0.01","1469.6","1.2","296.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H45 B Cl N Ni O P2 -","- C24 H45 B Cl N Ni O P2 -","- C48 H90 B2 Cl2 N2 Ni2 O2 P4 -","2","1","","Akihiko Yamamoto; Michinori Suginome","Nickel-Catalyzedtrans-Alkynylboration of Alkynes via Activation of a Boron-Chlorine Bond","Journal of the American Chemical Society","2005","127","","15706","15707","10.1021/ja055396z","","","0.7107","MoKα","","","0.028","","","","0.032","","","","","","2.297","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112069","7.6761","0.0017","15.565","0.003","8.0602","0.0017","90","","90","","90","","963","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.82 Ge4 La1.18 -","- Ca3.82 Ge4 La1.18 -","- Ca15.28 Ge16 La4.72 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0781","0.0664","","","0.1178","0.1221","","","","","","1.235","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112070","7.673","0.0008","15.5512","0.0017","8.0813","0.0009","90","","90","","90","","964.3","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.66 Ge3 La1.34 -","- Ca3.656 Ge4 La1.344 -","- Ca14.624 Ge16 La5.376 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0336","0.0331","","","0.0683","0.0684","","","","","","1.429","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112071","7.669","0.002","15.525","0.004","8.084","0.002","90","","90","","90","","962.5","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.37 Ge4 La1.63 -","- Ca3.368 Ge4 La1.632 -","- Ca13.472 Ge16 La6.528 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0478","0.0468","","","0.1037","0.1042","","","","","","1.367","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112072","7.6358","0.0006","15.4222","0.0011","8.0475","0.0006","90","","90","","90","","947.68","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca1.74 Ce3.26 Ge4 -","- Ca3.26 Ce1.74 Ge4 -","- Ca13.04 Ce6.96 Ge16 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0217","0.0207","","","0.042","0.0425","","","","","","1.341","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112073","7.6424","0.0009","15.4218","0.0019","8.0494","0.001","90","","90","","90","","948.7","0.2","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.2 Ce1.8 Ge4 -","- Ca3.202 Ce1.798 Ge4 -","- Ca12.808 Ce7.192 Ge16 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0252","0.0233","","","0.0458","0.0467","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112074","7.6453","0.001","15.423","0.002","8.0632","0.0011","90","","90","","90","","950.8","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 Ce2 Ge4 -","- Ca3.006 Ce1.994 Ge4 -","- Ca12.024 Ce7.976 Ge16 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0191","0.019","","","0.042","0.042","","","","","","1.393","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112075","8.101","0.004","23.939","0.012","7.943","0.004","90","","103.897","0.01","90","","1495.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Yibin Zeng; Jeffrey Aubé","An Expeditious Total Synthesis of (\±)-Stenine","Journal of the American Chemical Society","2005","127","","15712","15713","10.1021/ja055629m","","","0.71073","MoKα","","0.1136","0.0999","","","0.2498","0.2569","","","","","","1.068","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112076","9.6021","0.0008","26.5918","0.0015","16.0383","0.0011","90","","101.673","0.009","90","","4010.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H66 Ca2 -","- C42 H66 Ca2 -","- C168 H264 Ca8 -","4","1","","Marc D. Walter; Gotthelf Wolmershäuser; Helmut Sitzmann","Calcium, Strontium, Barium, and Ytterbium Complexes with Cyclooctatetraenyl or Cyclononatetraenyl Ligands1","Journal of the American Chemical Society","2005","127","","17494","17503","10.1021/ja0550071","","","0.71073","MoKα","","0.0935","0.0454","","","0.1028","0.1149","","","","","","0.838","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112077","12.721","0.005","12.151","0.005","10.959","0.004","90","","90","","90","","1694","1.1","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H18 N2 Ni O4 S2 W -","- C13 H18 N2 Ni O4 S2 W -","- C52 H72 N8 Ni4 O16 S8 W4 -","4","0.5","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.08","0.0719","","","0.1781","0.1842","","","","","","1.099","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112078","7.2847","0.0012","13.392","0.002","20.266","0.003","90","","91.712","0.003","90","","1976.2","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 Ni O5 S2 W -","- C15 H20 N2 Ni O5 S2 W -","- C60 H80 N8 Ni4 O20 S8 W4 -","4","1","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.1004","0.0626","","","0.1404","0.1559","","","","","","0.929","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112079","18.3245","0.0011","12.7484","0.0007","20.575","0.0012","90","","90","","90","","4806.5","0.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C17 H28 Cl2 N2 Ni O4 S2 W -","- C17 H28 Cl2 N2 Ni O4 S2 W -","- C136 H224 Cl16 N16 Ni8 O32 S16 W8 -","8","1","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.0701","0.049","","","0.1078","0.1151","","","","","","0.992","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112080","13.397","0.004","12.386","0.004","11.005","0.003","90","","90","","90","","1826.1","0.9","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H20 N2 Ni O4 S2 W -","- C14 H20 N2 Ni O4 S2 W -","- C56 H80 N8 Ni4 O16 S8 W4 -","4","0.5","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.0279","0.0271","","","0.0598","0.0603","","","","","","1.117","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112081","14.1334","0.0004","14.1334","0.0004","43.546","0.003","90","","90","","90","","8698.4","0.7","162.2","","","","","","","","","","","8","P 43","P 4cw","78","","","","- C78 H102 Cl6 F6 O14 P2 Pd S2 -","- C78 H102 Cl5.99 F6 O14 P2 Pd S2 -","- C312 H408 Cl23.96 F24 O56 P8 Pd4 S8 -","4","1","","Britton K. Corkey; F. Dean Toste","Catalytic Enantioselective Conia-Ene Reaction","Journal of the American Chemical Society","2005","127","","17168","17169","10.1021/ja055059q","","","0.7107","MoKα","","0.0699","0.033","","0.036","","0.0305","","","","","","0.87","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112082","22.784","0.002","22.806","0.002","10.395","0.001","90","","95.199","0.004","90","","5379.1","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 Mo2 O10 -","- C68 H52 Mo2 O10 -","- C272 H208 Mo8 O40 -","4","1","","Matthew J. Byrnes; Malcolm H. Chisholm; Judith A. Gallucci; Yao Liu; Ramkrishna Ramnauth; Claudia Turro","Observation of 1MLCT and 3MLCT Excited States in Quadruply Bonded Mo2 and W2 Complexes","Journal of the American Chemical Society","2005","127","","17343","17352","10.1021/ja055136h","","","0.71073","MoKα","","0.0521","0.0319","","0.0802","","0.0724","","","1.015","","","1.061","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112083","27.751","0.006","14.957","0.003","15.518","0.003","90","","113.8","0.03","90","","5893","2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cl4 Mn4 N6 O28 -","- C36 H36 Cl4 Mn4 N6 O28 -","- C144 H144 Cl16 Mn16 N24 O112 -","4","0.5","","Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac","Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets","Journal of the American Chemical Society","2005","127","","17353","17363","10.1021/ja0551685","","","0.71073","MoKα","","0.2707","0.1265","","","0.3246","0.4166","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112084","10.084","0.002","11.692","0.002","12.112","0.002","78.2","0.03","84.4","0.03","67.7","0.03","1293","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cl2 Mn4 N8 O26 -","- C36 H48 Cl2 Mn4 N8 O26 -","- C36 H48 Cl2 Mn4 N8 O26 -","1","0.5","","Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac","Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets","Journal of the American Chemical Society","2005","127","","17353","17363","10.1021/ja0551685","","","0.71073","MoKα","","0.1431","0.0681","","","0.1574","0.1987","","","","","","0.984","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112085","14.28","0.003","15.327","0.003","14.611","0.003","90","","100.33","0.03","90","","3146.1","1.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 Cl4 Mn4 N10 O24 -","- C52 H56 Cl4 Mn4 N10 O24 -","- C104 H112 Cl8 Mn8 N20 O48 -","2","0.5","","Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac","Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets","Journal of the American Chemical Society","2005","127","","17353","17363","10.1021/ja0551685","","","0.71073","MoKα","","0.1521","0.0545","","","0.0936","0.1186","","","","","","0.951","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112086","10.53","0.002","16.06","0.003","13.26","0.003","90","","102.79","0.03","90","","2186.8","0.8","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cl Mn2 N6 O7 -","- C18 H18 Cl Mn2 N6 O7 -","- C72 H72 Cl4 Mn8 N24 O28 -","4","1","","Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac","Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets","Journal of the American Chemical Society","2005","127","","17353","17363","10.1021/ja0551685","","","0.71073","MoKα","","0.1346","0.054","","","0.1242","0.1814","","","","","","1.049","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112087","8.966","0.0013","8.966","0.0013","25.244","0.005","90","","90","","90","","2029.3","0.6","120","2","","","","","","","","","","6","I 4/m","-I 4","87","","","","- As20 B16 Cl10 Cs6 H16 O80 -","- As20 B16 Cl10 Cs6 H16 O80 -","- As20 B16 Cl10 Cs6 H16 O80 -","1","0.0625","","Seth B. Wiggin; Mark T. Weller","Boroarsenates: A Framework Motif and Family Templated on Cations and Anions","Journal of the American Chemical Society","2005","127","","17172","17173","10.1021/ja055262l","","","0.71073","MoKα","","","0.0451","","","","0.1208","","","","","","1.082","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112088","7.3568","0.0005","7.3568","0.0005","15.4671","0.001","90","","90","","90","","837.12","0.1","120","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- As2 B H K2 O8 -","- As2 B H K2 O8 -","- As8 B4 H4 K8 O32 -","4","0.5","","Seth B. Wiggin; Mark T. Weller","Boroarsenates: A Framework Motif and Family Templated on Cations and Anions","Journal of the American Chemical Society","2005","127","","17172","17173","10.1021/ja055262l","","","0.71073","MoKα","","","0.0542","","","","0.1556","","","","","","1.181","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112089","14.868","0.006","18.065","0.007","22.078","0.009","90","","104.633","0.009","90","","5738","4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Dipp*Ge(OH)(μ-OO)(μ-O)Ge(OH)Dipp*].0.5hexane","","","- C63 H83 Ge2 O5 -","- C63 H82 Ge2 O5 -","- C252 H328 Ge8 O20 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.1815","0.0907","","","0.2006","0.262","","","","","","0.953","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112090","19.3869","0.0009","29.4879","0.0013","25.0943","0.0011","90","","102.057","0.001","90","","14029.4","1.1","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C147 H170.5 Ge4 N12 O2.25 -","- C147.04 H170.6 Ge4 N12 O2.26 -","- C588.16 H682.4 Ge16 N48 O9.04 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.1017","0.0633","","","0.1647","0.1814","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112091","21.694","0.004","18.392","0.004","32.292","0.007","90","","96.47","0.03","90","","12802","5","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Dipp*Sn(N-SiMe3)SnDipp*.0.5n-hexane","","","- C66 H90 N Si Sn2 -","- C66 H90 N Si Sn2 -","- C528 H720 N8 Si8 Sn16 -","8","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.1207","0.0577","","","0.1433","0.1736","","","","","","1.023","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112092","11.9584","0.0019","27.587","0.005","20.622","0.003","90","","90.114","0.007","90","","6803.1","1.9","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","[Dipp*SnNPh]2.hexane","","","- C78 H98 N2 Sn2 -","- C78 H98 N2 Sn2 -","- C312 H392 N8 Sn8 -","4","2","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0328","0.0281","","","0.0608","0.0631","","","","","","0.989","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112093","13.089","0.0017","14.2078","0.0017","21.234","0.003","93.795","0.003","91.656","0.003","115.63","0.003","3545.2","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","Dipp*Ge(PhCNNCPh)GeDipp*.0.65PhCN.0.35MeCyclopentane.0.5Et2O","","","- C83.65 H98.45 Ge2 N2.65 -","- C83.65 H98.45 Ge2 N2.65 -","- C167.3 H196.9 Ge4 N5.3 -","2","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0753","0.0468","","","0.1155","0.1317","","","","","","1.019","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112094","20.743","0.004","12.008","0.002","27.095","0.005","90","","90","","90","","6749","2","130","2","130","2","","","","","","","","4","P n a 21","P 2c -2n","33","[Dipp*Ge(PhNNPh)GeDipp*].n-hexane","","","- C78 H98 Ge2 N2 -","- C78 H98 Ge2 N2 -","- C312 H392 Ge8 N8 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","1.54178","CuKα","","0.0384","0.0328","","","0.075","0.0779","","","","","","1.026","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112095","14.585","0.003","18.3","0.004","24.129","0.005","90","","90.03","0.03","90","","6440","2","91","2","91","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dipp*GeGe(CNt-Bu)Dipp*.n-hexane","","","- C71 H96 Ge2 N -","- C71 H96 Ge2 N -","- C284 H384 Ge8 N4 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.114","0.0828","","","0.1835","0.1961","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112096","12.8515","0.0009","14.9117","0.0011","20.4565","0.0015","80.746","0.003","80.117","0.003","83.322","0.004","3795.9","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Dipp*Ge(CHSiMe3)(n2CHSiMe3)2GeDipp*.n-hexane","","","- C78 H118 Ge2 N4 Si3 -","- C78 H118 Ge2 N4 Si3 -","- C156 H236 Ge4 N8 Si6 -","2","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0514","0.0356","","","0.0853","0.0937","","","","","","1.023","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112097","13.7999","0.0008","15.1927","0.0009","20.3401","0.0012","87.368","0.001","79.496","0.001","66.618","0.001","3847","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H104 Ge2 O -","- C96 H104 Ge2 O -","- C192 H208 Ge4 O2 -","2","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0703","0.0425","","","0.1023","0.1119","","","","","","0.99","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112098","11.4183","0.0008","20.7335","0.0015","21.8982","0.0016","90","","95.899","0.001","90","","5156.8","0.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91.5 H10 Br La O4 S5 -","- C91.5 H10 Br La O4 S5 -","- C366 H40 Br4 La4 O16 S20 -","4","1","","Lai Feng; Tsukasa Nakahodo; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Tatsuhisa Kato; Ernst Horn; Kenji Yoza; Naomi Mizorogi; Shigeru Nagase","A Singly Bonded Derivative of Endohedral Metallofullerene: La@C82CBr(COOC2H5)2","Journal of the American Chemical Society","2005","127","","17136","17137","10.1021/ja055484j","","","0.71069","MoKα","","0.1109","0.0784","","","0.1901","0.2087","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112099","27.231","0.0002","6.827","0.0003","16.97","0.0006","90","","90","","90","","3154.83","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Frédéric Liéby-Muller; Thierry Constantieux; Jean Rodriguez","Multicomponent Domino Reaction from β-Ketoamides: Highly Efficient Access to Original Polyfunctionalized 2,6-Diazabicyclo[2.2.2]octane Cores","Journal of the American Chemical Society","2005","127","","17176","17177","10.1021/ja055885z","","","0.71073","MoKα","","0.0599","0.0482","","","0.1398","0.1539","","","","","","1.011","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112100","23.698","0.003","14.5","0.002","43.921","0.005","90","","98.74","0.005","90","","14917","3","143","2","143","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","[K(thf)6][H2C60Ph5]_K(H2C60Ph5)(thf)3_(THF)3","","- C114 H74.6 K O6 -","- C114 H74.6 K O6 -","- C912 H596.8 K8 O48 -","8","1","","Yutaka Matsuo; Hiroyuki Isobe; Takatsugu Tanaka; Yasujiro Murata; Michihisa Murata; Koichi Komatsu; Eiichi Nakamura","Organic and Organometallic Derivatives of Dihydrogen-Encapsulated [60]Fullerene","Journal of the American Chemical Society","2005","127","","17148","17149","10.1021/ja056077a","","x-ray","0.71073","MoKα","","0.2623","0.1348","","","0.342","0.4264","","","","","","1.163","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112101","15.167","0.0014","17.366","0.0015","20.553","0.0008","90","","90","","90","","5413.5","0.7","153","2","153","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","H2FeC60Ph5Cp","","- C96 H31.6 Fe S2 -","- C96 H31.6 Fe S2 -","- C384 H126.4 Fe4 S8 -","4","1","","Yutaka Matsuo; Hiroyuki Isobe; Takatsugu Tanaka; Yasujiro Murata; Michihisa Murata; Koichi Komatsu; Eiichi Nakamura","Organic and Organometallic Derivatives of Dihydrogen-Encapsulated [60]Fullerene","Journal of the American Chemical Society","2005","127","","17148","17149","10.1021/ja056077a","","x-ray","0.71073","MoKα","","0.0743","0.0652","","","0.1661","0.1765","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112102","10.727","0.006","12.871","0.007","16.3","0.009","90","","98.068","0.01","90","","2228","2","213","2","213","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C49 H65 Al N3 -","- C49 H65 Al N3 -","- C98 H130 Al2 N6 -","2","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Quinten Knijnenburg; Bas de Bruin; Peter H. M. Budzelaar","Formation of a Paramagnetic Al Complex and Extrusion of Fe during the Reaction of (Diiminepyridine)Fe with AlR3 (R = Me, Et)","Journal of the American Chemical Society","2005","127","","17204","17206","10.1021/ja056135s","","","0.71073","MoKα","","0.1492","0.0758","","","0.136","0.1612","","","","","","1.04","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112103","10.676","0.004","19.708","0.007","21.15","0.007","82.262","0.006","89.088","0.006","87.984","0.006","4406","3","207","2","207","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H132 Al4 Cl2 Fe2 N6 -","- C92 H132 Al4 Cl2 Fe2 N6 -","- C184 H264 Al8 Cl4 Fe4 N12 -","2","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Quinten Knijnenburg; Bas de Bruin; Peter H. M. Budzelaar","Formation of a Paramagnetic Al Complex and Extrusion of Fe during the Reaction of (Diiminepyridine)Fe with AlR3 (R = Me, Et)","Journal of the American Chemical Society","2005","127","","17204","17206","10.1021/ja056135s","","","0.71073","MoKα","","0.1016","0.0673","","","0.166","0.188","","","","","","1.013","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112104","14.035","0.005","14.625","0.005","21.424","0.005","90","","90","","90","","4398","2","243","2","243","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C20 H27 Cu N3 O9 -","- C20 H17 Cu N3 O9 -","- C160 H136 Cu8 N24 O72 -","8","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0552","0.0525","","","0.1553","0.158","","","","","","1.083","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112105","13.732","0.005","13.721","0.005","20.397","0.005","90","","90","","90","","3843","2","373","2","373","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H34 Cu2 N6 O8 -","- C40 H34 Cu2 N6 O8 -","- C160 H136 Cu8 N24 O32 -","4","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0917","0.0559","","","0.1466","0.1647","","","","","","1.021","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112106","13.8882","0.001","14.6592","0.0012","21.181","0.004","90","","90","","90","","4312.2","0.9","243","2","243","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H23 Cu N3 O7 -","- C20 H17 Cu N3 O7 -","- C160 H136 Cu8 N24 O56 -","8","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0834","0.0542","","","0.118","0.1332","","","","","","1.069","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112107","13.9126","0.001","15.0856","0.0013","21.6595","0.0018","90","","90","","90","","4545.9","0.6","193","2","193","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C22 H17 Cu N3 O8 -","- C22 H17 Cu N3 O8 -","- C176 H136 Cu8 N24 O64 -","8","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0749","0.0585","","","0.1063","0.1121","","","","","","1.139","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112108","15.221","0.0006","27.188","0.001","12.4654","0.0004","90","","90.0265","0.0006","90","","5158.5","0.3","298.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 Br O -","- C17 H24 Br O -","- C204 H288 Br12 O12 -","12","3","","Tamotsu Takahashi; Yuichi Kuzuba; Fanzhi Kong; Kiyohiko Nakajima; Zhenfeng Xi","Formation of Indene Derivatives from Bis(cyclopentadienyl)titanacyclopentadienes with Alkyl Group Migration via Carbon-Carbon Bond Cleavage","Journal of the American Chemical Society","2005","127","","17188","17189","10.1021/ja0561789","","","0.7107","MoKα","","","0.0644","","","","0.0767","","","","","","1.556","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112109","11.5868","0.0002","14.0426","0.0004","23.9382","0.0005","90","","101.095","0.0015","90","","3822.16","0.15","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 Cl N4 Ni O7 -","- C45 H37 Cl N4 Ni O7 -","- C180 H148 Cl4 N16 Ni4 O28 -","4","1","","Ewa Szajna; Atta M. Arif; Lisa M. Berreau","Aliphatic Carbon-Carbon Bond Cleavage Reactivity of a Mononuclear Ni(II)cis-β-Keto-Enolate Complex in the Presence of Base and O2: A Model Reaction for Acireductone Dioxygenase (ARD)","Journal of the American Chemical Society","2005","127","","17186","17187","10.1021/ja056346x","","","0.71073","MoKα","","0.0968","0.052","","","0.1097","0.1326","","","","","","1.016","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112110","23.4007","0.0004","14.6593","0.0003","24.5593","0.0003","90","","106.901","0.001","90","","8060.9","0.2","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C45 H40 Cl2 N4 Ni O5 -","- C45 H40 Cl2 N4 Ni O5 -","- C360 H320 Cl16 N32 Ni8 O40 -","8","2","","Ewa Szajna; Atta M. Arif; Lisa M. Berreau","Aliphatic Carbon-Carbon Bond Cleavage Reactivity of a Mononuclear Ni(II)cis-β-Keto-Enolate Complex in the Presence of Base and O2: A Model Reaction for Acireductone Dioxygenase (ARD)","Journal of the American Chemical Society","2005","127","","17186","17187","10.1021/ja056346x","","","0.71073","MoKα","","0.0961","0.0665","","","0.1771","0.1999","","","","","","1.038","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112111","10.9221","0.0014","24.52","0.003","14.4271","0.0018","90","","107.785","0.004","90","","3679.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 B Cu N2 O2 -","- C36 H55 B Cu N2 O2 -","- C144 H220 B4 Cu4 N8 O8 -","4","1","","David S. Laitar; Peter Müller; Joseph P. Sadighi","Efficient Homogeneous Catalysis in the Reduction of CO2 to CO","Journal of the American Chemical Society","2005","127","","17196","17197","10.1021/ja0566679","","","0.71073","MoKα","","0.0582","0.0488","","","0.1288","0.1344","","","","","","1.054","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112112","10.5264","0.0019","14.999","0.003","25.09","0.004","90","","90.035","0.005","90","","3961.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 B Cu N2 O3 -","- C40 H56 B Cu N2 O3 -","- C160 H224 B4 Cu4 N8 O12 -","4","1","","David S. Laitar; Peter Müller; Joseph P. Sadighi","Efficient Homogeneous Catalysis in the Reduction of CO2 to CO","Journal of the American Chemical Society","2005","127","","17196","17197","10.1021/ja0566679","","","0.71073","MoKα","","0.0552","0.0454","","","0.1015","0.1063","","","","","","1.024","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112113","12.301","0.003","14.652","0.004","20.832","0.006","80.921","0.007","83.41","0.008","72.137","0.006","3520.1","1.6","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C77 H102 O6 Zr2 -","- C77 H70 O6 Zr2 -","- C154 H140 O12 Zr4 -","2","1","","Tsukasa Matsuo; Hiroyuki Kawaguchi","A Synthetic Cycle for H2/CO Activation and Allene Synthesis Using Recyclable Zirconium Complexes","Journal of the American Chemical Society","2005","127","","17198","17199","10.1021/ja0567079","","","0.7107","MoKα","","","0.068","","","","0.161","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112114","11.222","0.002","11.981","0.002","19.807","0.004","90","","90","","90","","2663.1","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H45 N10 P -","- C19 H45 N10 P -","- C76 H180 N40 P4 -","4","1","","Alexander A. Kolomeitsev; Ilmar A. Koppel; Toomas Rodima; Jan Barten; Enno Lork; Gerd-Volker Röschenthaler; Ivari Kaljurand; Agnes Kütt; Ivar Koppel; Vahur Mäemets; Ivo Leito","Guanidinophosphazenes: Design, Synthesis, and Basicity in THF and in the Gas Phase","Journal of the American Chemical Society","2005","127","","17656","17666","10.1021/ja053543n","","","0.71073","MoKα","","0.05","0.0403","","","0.099","0.1048","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112115","12.923","0.002","28.409","0.003","16.285","0.002","90","","107.71","0.01","90","","5695.4","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H46 B F4 N10 P -","- C19 H46 B F4 N10 P -","- C152 H368 B8 F32 N80 P8 -","8","2","","Alexander A. Kolomeitsev; Ilmar A. Koppel; Toomas Rodima; Jan Barten; Enno Lork; Gerd-Volker Röschenthaler; Ivari Kaljurand; Agnes Kütt; Ivar Koppel; Vahur Mäemets; Ivo Leito","Guanidinophosphazenes: Design, Synthesis, and Basicity in THF and in the Gas Phase","Journal of the American Chemical Society","2005","127","","17656","17666","10.1021/ja053543n","","","0.71073","MoKα","","0.0977","0.065","","","0.1674","0.1908","","","","","","1.026","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112116","11.2557","0.0008","16.854","0.001","29.162","0.002","90","","91.056","0.001","90","","5531.2","0.6","294","1","294","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C272 H248 N8 O32 -","8","2","","Dirk Pijper; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Acceleration of a Nanomotor: Electronic Control of the Rotary Speed of a Light-Driven Molecular Rotor","Journal of the American Chemical Society","2005","127","","17612","17613","10.1021/ja054499e","","","0.71073","MoKα","","0.1502","0.0679","","","0.1614","0.1921","","","","","","0.939","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112117","11.7557","0.0005","10.2852","0.0004","15.3256","0.0006","90","","91.12","0.001","90","","1852.66","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H41 Co Fe4 -","- C49 H41 Co Fe4 -","- C98 H82 Co2 Fe8 -","2","1","","Jieying Jiao; Gary J. Long; Leila Rebbouh; Fernande Grandjean; Alicia M. Beatty; Thomas P. Fehlner","Properties of a Mixed-Valence (FeII)2(FeIII)2 Square Cell for Utilization in the Quantum Cellular Automata Paradigm for Molecular Electronics","Journal of the American Chemical Society","2005","127","","17819","17831","10.1021/ja0550935","","","0.71073","MoKα","","0.0189","0.0184","","","0.0434","0.0435","","","","","","1.031","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112118","12.7388","0.0008","14.1919","0.0008","22.0301","0.0013","90","","90","","90","","3982.8","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C49 H41 Co F6 Fe4 P -","- C49 H41 Co F6 Fe4 P -","- C196 H164 Co4 F24 Fe16 P4 -","4","0.5","","Jieying Jiao; Gary J. Long; Leila Rebbouh; Fernande Grandjean; Alicia M. Beatty; Thomas P. Fehlner","Properties of a Mixed-Valence (FeII)2(FeIII)2 Square Cell for Utilization in the Quantum Cellular Automata Paradigm for Molecular Electronics","Journal of the American Chemical Society","2005","127","","17819","17831","10.1021/ja0550935","","","0.71073","MoKα","","0.056","0.0448","","","0.0932","0.0976","","","","","","1.209","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112119","14.8322","0.0009","9.4259","0.0006","21.679","0.0014","90","0.002","105.377","0.0017","90","0.002","2922.4","0.3","20","1","20","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ru(H)2(eta2-H2)2[P(C5H27)3]2","","","- C30 H60 P2 Ru -","- C30 H60 P2 Ru -","- C120 H240 P8 Ru4 -","4","1","","Mary Grellier; Laure Vendier; Bruno Chaudret; Alberto Albinati; Silvia Rizzato; Sax Mason; Sylviane Sabo-Etienne","Synthesis, Neutron Structure, and Reactivity of the Bis(dihydrogen) Complex RuH2(η2-H2)2(PCyp3)2 Stabilized by Two Tricyclopentylphosphines","Journal of the American Chemical Society","2005","127","","17592","17593","10.1021/ja055126g","","neutron","1.316","neutron","","0.0779","0.0521","","","0.1207","0.144","","","","","","1.07","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112120","14.9282","0.0016","9.458","0.0007","21.713","0.002","90","","105.139","0.013","90","","2959.3","0.5","100","","100","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 P2 Ru -","- C30 H60 P2 Ru -","- C120 H240 P8 Ru4 -","4","1","","Mary Grellier; Laure Vendier; Bruno Chaudret; Alberto Albinati; Silvia Rizzato; Sax Mason; Sylviane Sabo-Etienne","Synthesis, Neutron Structure, and Reactivity of the Bis(dihydrogen) Complex RuH2(η2-H2)2(PCyp3)2 Stabilized by Two Tricyclopentylphosphines","Journal of the American Chemical Society","2005","127","","17592","17593","10.1021/ja055126g","","","0.71073","MoKα","","0.0275","0.0255","","","0.0668","0.07","","","","","","1.064","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112121","20.066","0.004","40.221","0.007","67.924","0.013","90","","90","","90","","54820","18","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C144 H88 As2 B12 N12 O24.8 -","- C144 H88 As2 B12 N12 O24.8 -","- C2304 H1408 As32 B192 N192 O396.8 -","16","0.5","","Tiejun Li; Satish S. Jalisatgi; Michael J. Bayer; Andreas Maderna; Saeed I. Khan; M. Frederick Hawthorne","Organic Syntheses on an Icosahedral Borane Surface: Closomer Structures with Twelvefold Functionality","Journal of the American Chemical Society","2005","127","","17832","17841","10.1021/ja055226m","","","0.71073","MoKα","","0.2065","0.0615","","","0.1264","0.1926","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112122","28.8687","0.001","17.4304","0.0004","12.8504","0.0004","90","","90","","90","","6466.2","0.3","296.1","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H60 Cl7 Cu7 Fe N6 S12 -","- C30 H60 Cl7 Cu7 Fe N6 S12 -","- C120 H240 Cl28 Cu28 Fe4 N24 S48 -","4","0.5","","Takashi Okubo; Ryo Kawajiri; Tadaoki Mitani; Tatsuya Shimoda","A Mixed-Valence Coordination Polymer Featuring Two-Dimensional Ferroelectric Order: {[CuI4CuII(Et2dtc)2Cl3][CuII(Et2dtc)2]2(FeCl4)}n (Et2dtc-= diethyldithiocarbamate)","Journal of the American Chemical Society","2005","127","","17598","17599","10.1021/ja056030p","","","0.71069","MoKα","","","0.0743","","","","0.1829","","","","","","1.657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112123","9.831","0.002","14.289","0.003","18.686","0.004","90","","97.58","0.03","90","","2602","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 N6 O7 Pd -","- C19 H36 N6 O7 Pd -","- C76 H144 N24 O28 Pd4 -","4","1","","Adelina M. Voutchkova; Leah N. Appelhans; Anthony R. Chianese; Robert H. Crabtree","Disubstituted Imidazolium-2-Carboxylates as Efficient Precursors to N-Heterocyclic Carbene Complexes of Rh, Ru, Ir, and Pd","Journal of the American Chemical Society","2005","127","","17624","17625","10.1021/ja056625k","","","0.71073","MoKα","","0.072","0.0469","","","0.1182","0.1296","","","","","","1.023","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112124","12.976","0.003","12.175","0.003","23.421","0.006","90","","91.686","0.005","90","","3698.5","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H49 B Cl2 Ir O2 P -","- C40 H49 B Cl2 Ir O2 P -","- C160 H196 B4 Cl8 Ir4 O8 P4 -","4","1","","Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro","C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand","Journal of the American Chemical Society","2005","127","","18074","18084","10.1021/ja0557233","","","0.71073","MoKα","","0.0876","0.0468","","","0.0639","0.0713","","","","","","0.848","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112125","12.4262","0.001","10.0804","0.0008","15.6876","0.0012","90","","113.128","0.001","90","","1807.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H27 B F4 Ir O2 P -","- C15 H27 B F4 Ir O2 P -","- C60 H108 B4 F16 Ir4 O8 P4 -","4","1","","Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro","C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand","Journal of the American Chemical Society","2005","127","","18074","18084","10.1021/ja0557233","","","0.71073","MoKα","","0.0491","0.0307","","","0.054","0.0568","","","","","","0.9","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112126","8.4587","0.0019","11.443","0.003","17.379","0.004","78.694","0.006","78.537","0.007","87.473","0.006","1616.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H57 Cl Ir N P2 -","- C29 H57 Cl Ir N P2 -","- C58 H114 Cl2 Ir2 N2 P4 -","2","1","","Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro","C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand","Journal of the American Chemical Society","2005","127","","18074","18084","10.1021/ja0557233","","","0.71073","MoKα","","0.0535","0.0418","","","0.0663","0.0692","","","","","","0.914","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112127","8.9291","0.0004","11.4598","0.0005","18.4112","0.0008","84.507","0.001","82.528","0.001","70.603","0.001","1759.14","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H60 Cl Ir N P2 -","- C32 H60 Cl Ir N P2 -","- C64 H120 Cl2 Ir2 N2 P4 -","2","1","","Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro","C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand","Journal of the American Chemical Society","2005","127","","18074","18084","10.1021/ja0557233","","","0.71073","MoKα","","0.0321","0.0266","","","0.0516","0.0528","","","","","","0.9","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4119087","11.914","0.002","13.355","0.002","16.927","0.003","80.618","0.003","77.022","0.003","73.653","0.003","2504","0.7","153.2","","153.2","","","","","","","","","6","P -1","-P 1","2","tetraphenylarsonium Pb(II) iso-maleonitriledithiolate","","","- C112 H80 As4 N8 Pb2 S8 -","- C112 H80 As4 N8 Pb2 S8 -","- C112 H80 As4 N8 Pb2 S8 -","1","0.5","","Magyar, John S.; Weng, Tsu-Chien; Stern, Charlotte M.; Dye, David F.; Rous, Brian W.; Payne, John C.; Bridgewater, Brian M.; Mijovilovich, Ana; Parkin, Gerard; Zaleski, Jeffrey M.; Penner-Hahn, James E.; Godwin, Hilary Arnold","Reexamination of Lead(II) Coordination Preferences in Sulfur-Rich Sites: Implications for a Critical Mechanism of Lead Poisoning","Journal of the American Chemical Society","2005","127","26","9495","9505","10.1021/ja0424530","","x-ray","0.7107","MoKα","","0.0607","0.028","","0.058","0.054","","","","1.455","","","1.53","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119088","24.3801","0.0015","12.0679","0.0007","25.8748","0.0016","90","","108.663","0.001","90","","7212.5","0.8","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","holjs90","","","- C74 H106 Fe2 N4 O2 -","- C74 H106 Fe2 N4 O2 -","- C296 H424 Fe8 N16 O8 -","4","0.5","","Eckert, Nathan A.; Stoian, Sebastian; Smith, Jeremy M.; Bominaar, Emile L.; Münck, Eckard; Holland, Patrick L.","Synthesis, Structure, and Spectroscopy of an Oxodiiron(II) Complex","Journal of the American Chemical Society","2005","127","26","9344","9345","10.1021/ja0436704","","","0.71073","MoKα","","0.0928","0.0459","","","0.1054","0.119","","","","","","0.923","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119089","8.472","0.0017","31.716","0.006","10.229","0.002","90","","95.32","0.03","90","","2736.7","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Br N P2 Pt -","- C25 H40 Br N P2 Pt -","- C100 H160 Br4 N4 P8 Pt4 -","4","1","","Strawser, David; Karton, Amir; Zenkina, Olena V.; Iron, Mark A.; Shimon, Linda J. W.; Martin, Jan M. L.; van der Boom, Milko E.","Platinum Stilbazoles: Ring-Walking Coupled with Aryl−Halide Bond Activation","Journal of the American Chemical Society","2005","127","26","9322","9323","10.1021/ja050613h","","","0.71073","MoKα","","0.0416","0.0315","","","0.08","0.0846","","","","","","1.029","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119090","15.884","0.003","14.908","0.003","11.701","0.002","90","","90","","90","","2770.8","0.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H40 Br N P2 Pt -","- C25 H40 Br N P2 Pt -","- C100 H160 Br4 N4 P8 Pt4 -","4","1","","Strawser, David; Karton, Amir; Zenkina, Olena V.; Iron, Mark A.; Shimon, Linda J. W.; Martin, Jan M. L.; van der Boom, Milko E.","Platinum Stilbazoles: Ring-Walking Coupled with Aryl−Halide Bond Activation","Journal of the American Chemical Society","2005","127","26","9322","9323","10.1021/ja050613h","","","0.71073","MoKα","","0.0512","0.0434","","","0.111","0.1175","","","","","","1.049","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119091","17.5075","0.0005","12.4366","0.0004","36.567","0.001","90","","100.724","0.001","90","","7822.8","0.4","120.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H46 N4 O5 Pd2 -","- C41 H46 N4 O5 Pd2 -","- C328 H368 N32 O40 Pd16 -","8","2","","Naota, Takeshi; Koori, Hiroshi","Molecules That Assemble by Sound: An Application to the Instant Gelation of Stable Organic Fluids","Journal of the American Chemical Society","2005","127","26","9324","9325","10.1021/ja050809h","","","0.7107","MoKα","","","0.0701","","","","0.222","","","","","","1.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119092","10.7005","0.0002","10.8011","0.0002","15.941","0.0002","93.6235","0.0007","96.9252","0.0006","98.9763","0.0006","1800.24","0.05","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 N4 O4 Pd2 -","- C40 N4 O4 Pd2 -","- C80 N8 O8 Pd4 -","2","1","","Naota, Takeshi; Koori, Hiroshi","Molecules That Assemble by Sound: An Application to the Instant Gelation of Stable Organic Fluids","Journal of the American Chemical Society","2005","127","26","9324","9325","10.1021/ja050809h","","","0.7107","MoKα","","","0.0433","","","","0.1484","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119093","13.652","0.012","8.691","0.008","18.893","0.017","90","","103.219","0.015","90","","2182","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C112 H80 N8 O16 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral Rodlike Platinum Complexes, Double Helical Chains, and Potential Asymmetric Hydrogenation Ligand Based on “Linear” Building Blocks: 1,8,9,16-Tetrahydroxytetraphenylene and 1,8,9,16-Tetrakis(diphenylphosphino)tetraphenylene","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1392","0.0533","","","0.0938","0.1271","","","","","","0.768","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119094","9.027","0.002","9.223","0.002","24.564","0.007","83.388","0.006","85.906","0.006","61.195","0.005","1779.8","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H30 Cu N4 -","- C16 H30 Cu N4 -","- C64 H120 Cu4 N16 -","4","2","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.1438","0.0567","","","0.1198","0.1365","","","","","","0.766","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119095","15.583","0.003","8.4294","0.0016","17.047","0.003","90","","95.89","0.004","90","","2227.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 Cu N4 -","- C20 H38 Cu N4 -","- C80 H152 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.1097","0.0518","","","0.1004","0.1147","","","","","","0.86","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119096","10.2709","0.0013","11.158","0.0013","11.7193","0.0014","73.52","0.002","81.317","0.002","76.174","0.002","1245.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Cu N4 -","- C26 H34 Cu N4 -","- C52 H68 Cu2 N8 -","2","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0329","0.0283","","","0.0751","0.0791","","","","","","1.026","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119097","20.73","0.015","14.223","0.011","10.114","0.007","90","","100.795","0.014","90","","2929","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H42 Cu N4 -","- C30 H42 Cu N4 -","- C120 H168 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0998","0.0708","","","0.1698","0.1858","","","","","","1.036","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119098","15.032","0.0019","10.7427","0.0014","20.453","0.003","90","","90","","90","","3302.8","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Cu N4 -","- C16 H26 Cu N4 -","- C128 H208 Cu8 N32 -","8","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0629","0.0392","","","0.094","0.1074","","","","","","1.064","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119099","13.819","0.007","8.103","0.004","17.887","0.01","90","","110.282","0.01","90","","1878.7","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Cu N4 -","- C18 H30 Cu N4 -","- C72 H120 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0783","0.0685","","","0.1525","0.1564","","","","","","1.152","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119100","7.9157","0.0019","8.889","0.002","10.77","0.003","75.201","0.004","86.177","0.004","89.512","0.004","731","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 Cu N4 -","- C14 H22 Cu N4 -","- C28 H44 Cu2 N8 -","2","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0891","0.0518","","","0.1135","0.134","","","","","","1.022","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119101","11.437","0.007","21.583","0.013","9.476","0.006","90","","90","","90","","2339","2","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C26 H30 Cu N4 -","- C26 H30 Cu N4 -","- C104 H120 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0883","0.0469","","","0.0996","0.117","","","","","","0.994","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119102","19.364","0.003","9.8308","0.0015","19.536","0.003","90","","111.566","0.003","90","","3458.6","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cu N4 -","- C18 H26 Cu N4 -","- C144 H208 Cu8 N32 -","8","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71069","MoKα","","0.0725","0.0402","","","0.0988","0.1203","","","","","","1.021","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119103","5.2808","0.0005","10.0623","0.001","12.4829","0.0012","99.162","0.002","94.549","0.002","96.552","0.002","647.34","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 B O3 -","- C13 H19 B O3 -","- C26 H38 B2 O6 -","2","1","","Yamamoto, Yoshihiko; Ishii, Jun-ichi; Nishiyama, Hisao; Itoh, Kenji","Cp*RuCl-Catalyzed Formal Intermolecular Cyclotrimerization of Three Unsymmetrical Alkynes through a Boron Temporary Tether: Regioselective Four-Component Coupling Synthesis of Phthalides","Journal of the American Chemical Society","2005","127","26","9625","9631","10.1021/ja051377d","","","0.71073","MoKα","","0.0603","0.0531","","","0.1522","0.1609","","","","","","1.055","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119104","40.438","0.006","6.3214","0.001","20.7","0.003","90","","101.873","0.004","90","","5178.2","1.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N2 -","- C32 H40 N2 -","- C256 H320 N16 -","8","1","","Shiraishi, Kouichi; Rajca, Andrzej; Pink, Maren; Rajca, Suchada","π-Conjugated Conjoined Double Helicene via a Sequence of Three Oxidative CC- and NN-Homocouplings","Journal of the American Chemical Society","2005","127","26","9312","9313","10.1021/ja051521v","","","0.71073","MoKα","","0.0861","0.0508","","","0.1249","0.146","","","","","","1.02","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4119105","10.327","0.003","11.067","0.006","11.692","0.01","112.33","0.05","97.31","0.06","106.79","0.04","1140.2","1.4","132","2","132","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 N2 O17 Zn3 -","- C44 H38 N2 O17 Zn3 -","- C44 H38 N2 O17 Zn3 -","1","0.5","","Dincǎ, Mircea; Long, Jeffrey R.","Strong H2Binding and Selective Gas Adsorption within the Microporous Coordination Solid Mg3(O2C-C10H6-CO2)3","Journal of the American Chemical Society","2005","127","26","9376","9377","10.1021/ja0523082","","","0.71073","MoKα","","0.0474","0.0364","","","0.0936","0.0976","","","","","","1.04","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119106","10.654","0.005","12.58","0.006","14.229","0.007","97.674","0.007","111.169","0.007","106.607","0.007","1643.3","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H43 B N6 Zr -","- C36 H43 B N6 Zr -","- C72 H86 B2 N12 Zr2 -","2","1","","Lee, Han; Jordan, Richard F.","Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes","Journal of the American Chemical Society","2005","127","26","9384","9385","10.1021/ja0527673","","","0.71073","MoKα","","0.0425","0.0356","","","0.0816","0.0839","","","","","","1.038","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119107","16.345","0.006","18.565","0.007","16.86","0.006","90","","97.014","0.006","90","","5078","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H36 B2 F20 N6 Zr -","- C53 H36 B2 F20 N6 Zr -","- C212 H144 B8 F80 N24 Zr4 -","4","1","","Lee, Han; Jordan, Richard F.","Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes","Journal of the American Chemical Society","2005","127","26","9384","9385","10.1021/ja0527673","","","0.71073","MoKα","","0.0709","0.0576","","","0.1166","0.1224","","","","","","1.192","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119108","10.793","0.002","28.245","0.006","19.166","0.004","90","","92.62","0.03","90","","5837","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H47 B2 Cl2 F20 N6 P Zr -","- C57 H46 B2 Cl1.932 F20 N6 P Zr -","- C228 H184 B8 Cl7.728 F80 N24 P4 Zr4 -","4","1","","Lee, Han; Jordan, Richard F.","Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes","Journal of the American Chemical Society","2005","127","26","9384","9385","10.1021/ja0527673","","","0.71073","MoKα","","0.0621","0.0533","","","0.1153","0.1199","","","","","","1.081","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119109","20.044","0.004","16.076","0.003","20.135","0.004","90","","92.33","0.03","90","","6483","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H44 B Cl2 N6 Zr -","- C32.5 H44 B Cl2 N6 Zr -","- C260 H352 B8 Cl16 N48 Zr8 -","8","1","","Lee, Han; Jordan, Richard F.","Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes","Journal of the American Chemical Society","2005","127","26","9384","9385","10.1021/ja0527673","","","0.71073","MoKα","","0.056","0.0382","","","0.0766","0.081","","","","","","0.962","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122198","15.045","0.004","18.036","0.005","20.979","0.005","90","","101.493","0.004","90","","5579","3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H62 Mg3 N4 O16 -","- C56 H40 Mg3 N4 O16 -","- C224 H160 Mg12 N16 O64 -","4","0.5","","Dinca, Mircea; Long, Jeffrey R.","Strong H(2) binding and selective gas adsorption within the microporous coordination solid Mg(3)(O(2)C-C(10)H(6)-CO(2))(3).","Journal of the American Chemical Society","2005","127","26","9376","9377","10.1021/ja0523082","","","0.71073","MoKα","","0.2103","0.0821","","","0.1859","0.2414","","","","","","0.945","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122199","10.2723","0.0001","10.7498","0.0002","11.1337","0.0002","90.7169","0.0007","109.417","0.0007","112.276","0.0008","1059.37","0.03","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C48 H58 N2 O4 S2 -","2","1","","Mühlthau, Friedrich; Schuster, Oliver; Bach, Thorsten","High facial diastereoselectivity in intra- and intermolecular reactions of chiral benzylic cations.","Journal of the American Chemical Society","2005","127","26","9348","9349","10.1021/ja050626v","","","0.71073","MoKα","","0.0416","0.0412","","","0.1091","0.1094","","","","","","1.07","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122200","15.8891","0.0012","17.4754","0.0013","22.7912","0.0017","90","","106.583","0.002","90","","6065.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 O8 P4 -","- C72 H60 O7.2 P4 -","- C288 H240 O28.8 P16 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1675","0.0653","","","0.1449","0.1664","","","","","","0.837","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122201","15.7792","0.0009","13.6619","0.0008","16.2153","0.001","90","","117.712","0.001","90","","3094.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H76 O17 S4 -","- C65 H76 O17 S4 -","- C130 H152 O34 S8 -","2","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1019","0.082","","","0.2057","0.2207","","","","","","1.018","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122202","9.0474","0.0008","18.2579","0.0016","9.0807","0.0009","90","","117.088","0.002","90","","1335.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H24 N2 O4 -","- C34 H24 N2 O4 -","- C68 H48 N4 O8 -","2","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.0568","0.041","","","0.078","0.0838","","","","","","0.886","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122203","10.0479","0.0008","23.826","0.002","10.3766","0.0009","90","","96.601","0.002","90","","2467.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 N2 O4 -","- C34 H24 N2 O4 -","- C136 H96 N8 O16 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.0839","0.0411","","","0.0552","0.0614","","","","","","0.748","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122204","9.8525","0.0006","17.7912","0.0011","13.3643","0.0009","90","","106.076","0.001","90","","2251","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O6 -","- C28 H24 O6 -","- C112 H96 O24 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.111","0.0566","","","0.1438","0.1637","","","","","","0.984","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122205","9.4368","0.0016","9.9806","0.0017","13.572","0.002","100.051","0.004","91.247","0.004","98.309","0.004","1244","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 N4 O4 -","- C32 H22 N4 O4 -","- C64 H44 N8 O8 -","2","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1212","0.0609","","","0.1373","0.1529","","","","","","0.898","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122206","10.3423","0.0006","29.4187","0.0017","15.2361","0.0009","90","","96.53","0.001","90","","4605.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 F6 O9 P2 S2 -","- C50 H34 F6 O9 P2 S2 -","- C200 H136 F24 O36 P8 S8 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.0787","0.0478","","","0.0956","0.104","","","","","","0.891","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122207","9.892","0.003","12.862","0.004","10.141","0.004","90","","105.381","0.018","90","","1244","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Br F3 N2 O5 -","- Br F3 N2 O5 -","- Br8 F24 N16 O40 -","8","1","","Lehmann, John F.; Schrobilgen, Gary J.","Synthesis and characterization of salts containing the BrO(3)F(2)(-) anion; a rare example of a bromine(VII) species.","Journal of the American Chemical Society","2005","127","26","9416","9427","10.1021/ja0402607","","","0.71073","MoKα","","0.0929","0.0671","","","0.1689","0.1813","","","","","","1.082","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122208","8.5718","0.0007","8.5718","0.0007","5.8117","0.0006","90","","90","","90","","427.02","0.07","100","2","100","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C4 H12 Br F2 N O3 -","- C4 H12 Br F2 N O3 -","- C8 H24 Br2 F4 N2 O6 -","2","0.125","","Lehmann, John F.; Schrobilgen, Gary J.","Synthesis and characterization of salts containing the BrO(3)F(2)(-) anion; a rare example of a bromine(VII) species.","Journal of the American Chemical Society","2005","127","26","9416","9427","10.1021/ja0402607","","","0.71073","MoKα","","0.0407","0.0314","","","0.0724","0.0761","","","","","","1.058","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122209","8.9781","0.0015","19.432","0.003","16.339","0.003","90","","103.873","0.003","90","","2767.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 Cl3 F6 P Ru -","- C24 H33 Cl3 F6 P Ru -","- C96 H132 Cl12 F24 P4 Ru4 -","4","1","","O'connor, Joseph M.; Friese, Seth J.; Rodgers, Betsy L.; Rheingold, Arnold L.; Zakharov, Lev","An eta(6)-dienyne transition-metal complex.","Journal of the American Chemical Society","2005","127","26","9346","9347","10.1021/ja042272y","","","0.71073","MoKα","","0.0459","0.0434","","","0.1065","0.1082","","","","","","1.111","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122210","11.647","0.003","11.647","0.003","26.381","0.008","90","","90","","90","","3578.7","1.7","213","2","213","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H32 Cl2 Ni P2 -","- C44 H32 Cl2 Ni P2 -","- C176 H128 Cl8 Ni4 P8 -","4","0.5","","Evans, David A.; Thomson, Regan J.; Franco, Francisco","Ni(II) Tol-BINAP-Catalyzed Enantioselective Michael Reactions of β-Ketoesters and Unsaturated N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","31","10816","10817","10.1021/ja053820q","","","0.71073","MoKα","","0.0502","0.0343","","","0.0686","0.0732","","","","","","1.014","","","","has coordinates","219219","2020-10-21","18:00:00",""
"4124026","9.6479","","10.4721","","9.3","","90","","90","","90","","939.614","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K (C F3)3 B N C","","- C4 B F9 K N -","- C4 B F9 K N -","- C16 B4 F36 K4 N4 -","4","0.5","","Finze, M.; Bernhardt, E.; Willner, H.; Lehmann, C.W.","Cyano-and isocyanotris(trifluoromethyl)borates: syntheses, spectroscopic properties, and solid state structures of K [(C F3)3 B C N] and K [(C F3)3 B N C]","Journal of the American Chemical Society","2005","127","","10712","10722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124101","4.3732","","25.973","","4.3849","","90","","90","","90","","498.059","","","","","","","","","","","","","2","C 2 c m","C -2c 2","40","","","","- Ce Te3 -","- Ce Te3 -","- Ce4 Te12 -","4","0.5","","Malliakas, C.; Billinge, S.J.L.; Kim, H.-J.; Kanatzidis, M.G.","Square nets of tellurium: rare-earth dependent variation in the charge-density wave of RE Te3 (RE= rare-earth element)","Journal of the American Chemical Society","2005","127","","6510","6511","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124102","4.3566","","25.888","","4.3606","","90","","90","","90","","491.804","","","","","","","","","","","","","2","C 2 c m","C -2c 2","40","","","","- Pr Te3 -","- Pr Te3 -","- Pr4 Te12 -","4","0.5","","Malliakas, C.; Billinge, S.J.L.; Kanatzidis, M.G.; Kim, H.-J.","Square nets of tellurium: rare-earth dependent variation in the charge-density wave of RETe3 (RE = rare-earth element)","Journal of the American Chemical Society","2005","127","","6510","6511","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124103","4.3469","","25.851","","4.3629","","90","","90","","90","","490.267","","","","","","","","","","","","","2","C 2 c m","C -2c 2","40","","","","- Nd Te3 -","- Nd Te3 -","- Nd4 Te12 -","4","0.5","","Malliakas, C.; Kim, H.-J.; Billinge, S.J.L.; Kanatzidis, M.G.","Square nets of tellurium: rare-earth dependent variation in the charge-density wave of RETe3 (RE = rare-earth element)","Journal of the American Chemical Society","2005","127","","6510","6511","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124107","10.201","","10.201","","10.201","","90","","90","","90","","1061.52","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ga Ta4 Se8","","- Ga Se8 Ta4 -","- Ga Se8 Ta4 -","- Ga4 Se32 Ta16 -","4","0.0416667","","Pocha, R.; Ni, B.; Johrendt, D.; Abd-Elmeguid, M.M.","Crystal structures, electronic properties and pressure induced superconductivity of the tetrahedral cluster compounds Ga Nb4 S8, Ga Nb4 Se8 and Ga Ta4 Se8","Journal of the American Chemical Society","2005","127","","8732","8740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4129215","13.2588","0.0008","10.3996","0.0006","17.3331","0.001","90","","108.54","0.001","90","","2266","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C64 H72 F48 N8 O16 Zn4 -","4","1","","Ni, Jun; Yan, He; Wang, Anchuang; Yang, Yu; Stern, Charlotte L.; Metz, Andrew W.; Jin, Shu; Wang, Lian; Marks, Tobin J.; Ireland, John R.; Kannewurf, Carl R.","MOCVD-derived highly transparent, conductive zinc- and tin-doped indium oxide thin films: precursor synthesis, metastable phase film growth and characterization, and application as anodes in polymer light-emitting diodes.","Journal of the American Chemical Society","2005","127","15","5613","5624","10.1021/ja044643g","","","0.71073","MoKα","","0.0335","0.0277","","","0.0723","0.0764","","","","","","1.037","","","","has coordinates","239997","2020-10-21","18:00:00",""
"4129216","10.7229","0.0011","17.7077","0.0019","24.76","0.003","90","","90.914","0.002","90","","4700.8","0.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C128 H144 F96 N16 O32 Zn8 -","8","2","","Ni, Jun; Yan, He; Wang, Anchuang; Yang, Yu; Stern, Charlotte L.; Metz, Andrew W.; Jin, Shu; Wang, Lian; Marks, Tobin J.; Ireland, John R.; Kannewurf, Carl R.","MOCVD-derived highly transparent, conductive zinc- and tin-doped indium oxide thin films: precursor synthesis, metastable phase film growth and characterization, and application as anodes in polymer light-emitting diodes.","Journal of the American Chemical Society","2005","127","15","5613","5624","10.1021/ja044643g","","","0.71073","MoKα","","0.0736","0.0562","","","0.1513","0.163","","","","","","1.024","","","","has coordinates,has disorder","239998","2020-10-21","18:00:00",""
"4129217","18.216","0.006","10.448","0.002","13.242","0.004","90","","105.617","0.015","90","","2427.2","1.2","280","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C64 H72 F48 N8 O16 Zn4 -","4","0.5","","Ni, Jun; Yan, He; Wang, Anchuang; Yang, Yu; Stern, Charlotte L.; Metz, Andrew W.; Jin, Shu; Wang, Lian; Marks, Tobin J.; Ireland, John R.; Kannewurf, Carl R.","MOCVD-derived highly transparent, conductive zinc- and tin-doped indium oxide thin films: precursor synthesis, metastable phase film growth and characterization, and application as anodes in polymer light-emitting diodes.","Journal of the American Chemical Society","2005","127","15","5613","5624","10.1021/ja044643g","","","0.71073","MoKα","","0.0963","0.0447","","","0.1222","0.1454","","","","","","0.953","","","","has coordinates,has disorder","239999","2020-10-21","18:00:00",""
"4129218","11.939","0.003","12.033","0.003","12.538","0.003","72.016","0.004","61.72","0.004","67.79","0.004","1449.9","0.6","169","2","169","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H46 Li3 O6 -","- C24 H46 Li3 O6 -","- C48 H92 Li6 O12 -","2","1","","Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.","Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.","Journal of the American Chemical Society","2005","127","3","961","974","10.1021/ja044671z","","","0.71073","MoKα","","0.0864","0.0695","","","0.1877","0.2018","","","","","","1.025","","","","has coordinates","240000","2020-10-21","18:00:00",""
"4129219","18.284","0.014","12.623","0.01","20.466","0.016","90","","90","","90","","4724","6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H8 Al F15 O2 -","- C23 H8 Al F15 O2 -","- C184 H64 Al8 F120 O16 -","8","1","","Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.","Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.","Journal of the American Chemical Society","2005","127","3","961","974","10.1021/ja044671z","","","0.71073","MoKα","","0.0636","0.0344","","","0.0812","0.0908","","","","","","0.632","","","","has coordinates","240001","2020-10-21","18:00:00",""
"4129220","9.119","0.007","24.277","0.017","17.121","0.012","90","","93.528","0.016","90","","3783","5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 Al Li O4 -","- C38 H62 Al Li O4 -","- C152 H248 Al4 Li4 O16 -","4","1","","Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.","Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.","Journal of the American Chemical Society","2005","127","3","961","974","10.1021/ja044671z","","","0.71073","MoKα","","0.0979","0.0631","","","0.1522","0.1695","","","","","","1.022","","","","has coordinates","240002","2020-10-21","18:00:00",""
"4129221","19.1932","0.001","10.1436","0.0005","19.6711","0.001","90","","93.812","0.001","90","","3821.3","0.3","150","1","150","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0471","0.0396","","","0.1036","0.1093","","","","","","1.025","","","","has coordinates","240003","2020-10-21","18:00:00",""
"4129222","15.297","0.0009","11.9528","0.0007","14.1961","0.0008","90","","97.659","0.001","90","","2572.5","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 B2 Fe N12 Si2 -","- C46 H56 B2 Fe N12 Si2 -","- C92 H112 B4 Fe2 N24 Si4 -","2","0.5","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0849","0.0638","","","0.1672","0.1803","","","","","","1.016","","","","has coordinates,has disorder","240004","2020-10-21","18:00:00",""
"4129223","19.2722","0.001","10.1801","0.0005","20.1124","0.001","90","","92.995","0.001","90","","3940.5","0.3","294","1","294","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0619","0.0446","","","0.1156","0.127","","","","","","1.028","","","","has coordinates","240005","2020-10-21","18:00:00",""
"4129224","18.7923","0.001","10.1073","0.0005","19.8578","0.001","90","","94.987","0.001","90","","3757.5","0.3","90","1","90","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0448","0.0382","","","0.0963","0.1008","","","","","","1.03","","","","has coordinates","240006","2020-10-21","18:00:00",""
"4129225","25.957","0.0012","10.0679","0.0005","21.0622","0.001","90","","120.673","0.001","90","","4734.2","0.4","294","1","294","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H48 B2 Fe N12 -","- C52 H48 B2 Fe N12 -","- C208 H192 B8 Fe4 N48 -","4","0.5","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0617","0.0443","","","0.1009","0.1064","","","","","","0.972","","","","has coordinates","240007","2020-10-21","18:00:00",""
"4129226","11.0861","0.0005","12.1285","0.0005","16.1999","0.0007","68.696","0.001","81.587","0.001","88.82","0.001","2006.27","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H48 B2 Cu2 F40 N6 O6 -","- C82 H48 B2 Cu2 F40 N6 O6 -","- C82 H48 B2 Cu2 F40 N6 O6 -","1","0.5","","Shearer, Jason; Zhang, Christiana Xin; Zakharov, Lev N.; Rheingold, Arnold L.; Karlin, Kenneth D.","Substrate oxidation by copper-dioxygen adducts: mechanistic considerations.","Journal of the American Chemical Society","2005","127","15","5469","5483","10.1021/ja045191a","","","0.71073","MoKα","","0.0407","0.0356","","","0.0985","0.1026","","","","","","0.987","","","","has coordinates","240008","2020-10-21","18:00:00",""
"4129227","11.2987","0.0004","14.7901","0.0005","15.8237","0.0006","108.725","0.002","104.597","0.002","105.35","0.002","2244.56","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H68 B2 Cu2 F40 N10 O3 -","- C89 H60 B2 Cu2 F40 N10 O3 -","- C89 H60 B2 Cu2 F40 N10 O3 -","1","0.5","","Shearer, Jason; Zhang, Christiana Xin; Zakharov, Lev N.; Rheingold, Arnold L.; Karlin, Kenneth D.","Substrate oxidation by copper-dioxygen adducts: mechanistic considerations.","Journal of the American Chemical Society","2005","127","15","5469","5483","10.1021/ja045191a","","","0.71073","MoKα","","0.0925","0.0589","","","0.1712","0.201","","","","","","1.141","","","","has coordinates","240009","2020-10-21","18:00:00",""
"4129228","13.1013","0.0014","14.4428","0.0016","16.9894","0.0019","77.984","0.002","67.962","0.001","89.536","0.002","2905.8","0.6","98","2","98","2","","","","","","","","7","P -1","-P 1","2","[PhBP3]CoOSiPh3","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0456","0.0336","","","0.0673","0.0698","","","","","","1.486","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129229","38.2238","0.0008","38.2238","0.0008","12.4091","0.0005","90","","90","","90","","18130.4","0.9","98","2","98","2","","","","","","","","6","I 41/a :2","-I 4ad","88","[PhBP3]CoO(4-tBu-Ph)","","","- C55 H54 B Co O P3 -","- C55 H54 B Co O P3 -","- C880 H864 B16 Co16 O16 P48 -","16","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.097","0.056","","","0.0808","0.0837","","","","","","3.011","","","","has coordinates,has disorder","240010","2020-10-21","18:00:00",""
"4129230","16.8066","0.0016","14.0767","0.0013","19.2736","0.0018","90","","113.801","0.002","90","","4172","0.7","96","","96","2","","","","","","","","6","P 1 21 1","P 2yb","4","[PhBP3]CoSPh","","","- C102 H92 B2 Co2 P6 S2 -","- C51 H46 B Co P3 S -","- C204 H184 B4 Co4 P12 S4 -","4","2","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0857","0.0463","","","0.0661","0.0722","","","","","","1.036","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129231","12.0158","0.0009","12.5469","0.0009","15.5078","0.0012","77.78","0.001","77.546","0.001","77.919","0.001","2198.2","0.3","100","","100","2","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,6-Me2-Ph)","","","- C53 H50 B Co P3 S -","- C53 H50 B Co P3 S -","- C106 H100 B2 Co2 P6 S2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0566","0.0405","","","0.0743","0.0762","","","","","","2.117","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129232","15.3738","0.0011","17.3171","0.0013","20.7953","0.0015","65.655","0.001","87.329","0.002","88.642","0.002","5038.5","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,4,6-iPr-Ph)","","","- C60 H64 B Co P3 S -","- C60 H64 B Co P3 S -","- C240 H256 B4 Co4 P12 S4 -","4","2","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0977","0.0482","","","0.0836","0.0931","","","","","","1.098","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129233","13.8333","0.001","13.9539","0.001","17.5922","0.0013","99.145","0.001","106.587","0.001","107.029","0.001","3000.8","0.4","96","","96","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,4,6-tBu-Ph)","","","- C69 H76 B Co P3 S -","- C69 H76 B Co P3 S -","- C138 H152 B2 Co2 P6 S2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.1759","0.0663","","","0.1133","0.1318","","","","","","1.576","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129234","11.0416","0.0008","12.8426","0.0009","22.3975","0.0015","87.228","0.001","81.435","0.001","73.024","0.001","3003.7","0.4","96","","96","","","","","","","","","7","P -1","-P 1","2","[PhBP3]CoSSiPh3","","","- C75 H68 B Co P3 S Si -","- C75 H68 B Co P3 S Si -","- C150 H136 B2 Co2 P6 S2 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.1081","0.0529","","","0.0777","0.0863","","","","","","1.216","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129235","12.1092","0.0011","12.3919","0.0011","21.3227","0.0019","80.696","0.002","75.993","0.002","72.962","0.001","2954","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","[PhBP3]CoO(4-NMe2-Ph)3","","","- C69 H71 B Co N3 O P3 Si -","- C69 H71 B Co N3 O P3 Si -","- C138 H142 B2 Co2 N6 O2 P6 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0877","0.0485","","","0.0712","0.0751","","","","","","1.734","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129236","12.942","0.001","20.8485","0.0015","21.5457","0.0016","77.529","0.001","82.143","0.001","88.626","0.001","5622.9","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoOCPh3","","","- C70 H62 B Co O P3 -","- C70 H62 B Co O P3 -","- C280 H248 B4 Co4 O4 P12 -","4","2","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0797","0.0457","","","0.0867","0.093","","","","","","1.406","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129237","10.3161","0.0004","14.4678","0.0006","29.963","0.0013","90","","90","","90","","4472","0.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PhBPiPr3]CoSSiPh3","","","- C45 H68 B Co P3 S Si -","- C45 H68 B Co P3 S Si -","- C180 H272 B4 Co4 P12 S4 Si4 -","4","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0587","0.0431","","","0.0606","0.0622","","","","","","1.37","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129238","13.592","0.002","14.814","0.002","19.251","0.003","72.567","0.003","87.945","0.003","82.565","0.002","3667.1","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","{[PhBP3]CoOSiPh3}{BPh4}","","","- C88.5 H79 B2 Cl1.5 Co O P3 Si -","- C88.5 H79 B2 Cl3 Co O P3 Si -","- C177 H158 B4 Cl6 Co2 O2 P6 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.1658","0.0643","","","0.1156","0.1381","","","","","","1.11","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129239","23.0774","0.0018","13.6982","0.001","7.9439","0.0006","90","","90","","90","","2511.2","0.3","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","(Tp*)CoS(2,6-Me2-Ph)","","","- C23 H31 B Co N6 S -","- C23 H31 B Co N6 S -","- C92 H124 B4 Co4 N24 S4 -","4","0.5","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.07","0.0468","","","0.0722","0.0737","","","","","","2.108","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129240","13.4295","0.0015","14.5619","0.0017","17.357","0.002","78.183","0.002","68.286","0.002","88.981","0.002","3080.4","0.6","295","","295","","","","","","","","","7","P -1","-P 1","2","BP3CoOSiPh3 295K","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.1288","0.0534","","","0.0738","0.0854","","","","","","1.063","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129241","11.087","0.002","15.273","0.003","19.948","0.004","90","","97.973","0.003","90","","3345.2","1.1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(cyclo-P3)Mo(OCy)3(HN[i-Pr]Ar)","","","- C29 H50 Mo N O3 P3 -","- C29 H50 Mo N O3 P3 -","- C116 H200 Mo4 N4 O12 P12 -","4","1","","Stephens, Frances H.; Johnson, Marc J. A.; Cummins, Christopher C.; Kryatova, Olga P.; Kryatov, Sergey V.; Rybak-Akimova, Elena V; McDonough, J. Eric; Hoff, Carl D.","Mechanism of white phosphorus activation by three-coordinate molybdenum(III) complexes: a thermochemical, kinetic, and quantum chemical investigation.","Journal of the American Chemical Society","2005","127","43","15191","15200","10.1021/ja054253+","","","0.71073","MoKα","","0.058","0.0539","","","0.092","0.0932","","","","","","1.374","","","","has coordinates","240011","2020-10-21","18:00:00",""
"4300762","27.112","0.001","17.0697","0.001","27.5614","0.001","90","","101.518","0.01","90","","12498.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H140 Cu12 La2 N38 O20 -","- C78 H140 Cu12 La2 N38 O20 -","- C312 H560 Cu48 La8 N152 O80 -","4","1","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179045","2020-10-21","18:00:00",""
"4300763","15.1328","0.001","15.7292","0.001","27.2884","0.001","90","","101.398","0.01","90","","6367.3","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H70 Cu6 Eu N19 O10 -","- C39 H70 Cu6 Eu N19 O10 -","- C156 H280 Cu24 Eu4 N76 O40 -","4","1","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300764","15.0699","0.001","15.7002","0.001","27.248","0.001","90","","101.91","0.01","90","","6308.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H70 Cu6 Gd N19 O10 -","- C39 H70 Cu6 Gd N19 O10 -","- C156 H280 Cu24 Gd4 N76 O40 -","4","1","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300765","15.0805","0.001","15.6823","0.001","27.3024","0.001","90","","101.67","0.01","90","","6323.5","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C156 H280 Cu24 Er4 N76 O40 -","- C156 H268 Cu24 Er4 N76 O40 -","- C156 H268 Cu24 Er4 N76 O40 -","1","0.25","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179045","2020-10-21","18:00:00",""
"4300766","9.1855","0.001","18.1984","0.001","16.6431","0.001","90","","95.942","0.01","90","","2767.1","0.4","240","2","240","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H56 Cu2 La N18 O8 -","- C17 H15 Cu2 La N9 O4 -","- C68 H60 Cu8 La4 N36 O16 -","4","2","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179045","2020-10-21","18:00:00",""
"4300767","9.1009","0.001","18.0238","0.001","16.3487","0.001","90","","95.878","0.01","90","","2667.6","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H56 Cu4 Gd2 N18 O8 -","- C33.94 H29 Cu4 Gd2 N18 O8 -","- C67.88 H58 Cu8 Gd4 N36 O16 -","2","1","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179045","2020-10-21","18:00:00",""
"4300768","9.0351","0.001","17.9369","0.001","16.3204","0.001","90","","95.168","0.01","90","","2634.2","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H28 Cu2 Er N9 O4 -","- C17 H18.5 Cu2 Er N9 O4 -","- C68 H74 Cu8 Er4 N36 O16 -","4","2","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179045","2020-10-21","18:00:00",""
"4300769","7.6654","0.001","18.4503","0.001","18.6808","0.001","90","","90","","90","","2642","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H14 Cu K N4 O2 -","- C8 H14 Cu K N4 O2 -","- C64 H112 Cu8 K8 N32 O16 -","8","1","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300770","29.187","0.006","8.2391","0.0012","15.126","0.003","90","","100.734","0.008","90","","3573.8","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 O9 V -","- C18 H15 O9 V -","- C144 H120 O72 V8 -","8","1","","Saatchi, Katayoun; Thompson, Katherine H.; Patrick, Brian O.; Pink, Maren; Yuen, Violet G.; McNeill, John H.; Orvig, Chris","Coordination Chemistry and Insulin-Enhancing Behavior of Vanadium Complexes with Maltol C6H6O3 Structural Isomers","Inorganic Chemistry","2005","44","8","2689","2697","10.1021/ic048186g","","","0.71069","MoKα","","0.0861","0.0506","","","0.1187","0.1338","","","","","","0.955","","","","has coordinates,has disorder","210164","2020-10-21","18:00:00",""
"4300771","12.376","0.004","13.879","0.005","8.011","0.003","90","0.006","96.513","0.006","90","0.006","1367.1","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","00380","","","- C12 H12 O8 V -","- C12 H12 O8 V -","- C48 H48 O32 V4 -","4","0.5","","Saatchi, Katayoun; Thompson, Katherine H.; Patrick, Brian O.; Pink, Maren; Yuen, Violet G.; McNeill, John H.; Orvig, Chris","Coordination Chemistry and Insulin-Enhancing Behavior of Vanadium Complexes with Maltol C6H6O3 Structural Isomers","Inorganic Chemistry","2005","44","8","2689","2697","10.1021/ic048186g","","","0.71073","MoKα","","0.0468","0.0392","","","0.1059","0.1098","","","","","","1.08","","","","has coordinates,has disorder","210164","2020-10-21","18:00:00",""
"4300772","5.2488","0.0005","9.6411","0.0008","14.5214","0.0013","90","","90","","90","","734.84","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H7 N2 O3 P Zn -","- C4 H7 N2 O3 P Zn -","- C16 H28 N8 O12 P4 Zn4 -","4","1","","Fan, Jian; Slebodnick, Carla; Troya, Diego; Angel, Ross; Hanson, Brian E.","Five New Zinc Phosphite Structures: Tertiary Building Blocks in the Construction of Hybrid Materials","Inorganic Chemistry","2005","44","8","2719","2727","10.1021/ic048204u","","x-ray","0.71073","MoKα","","0.029","0.0282","","","0.0667","0.0672","","","","","","1.045","","","","has coordinates","210165","2020-10-21","18:00:00",""
"4300773","9.619","0.0006","9.6847","0.0006","26.2565","0.0016","100.26","0.005","100.104","0.005","90.091","0.003","2368.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 N8 O12 P4 Zn4 -","- C40 H44 N8 O12 P4 Zn4 -","- C80 H88 N16 O24 P8 Zn8 -","2","1","","Fan, Jian; Slebodnick, Carla; Troya, Diego; Angel, Ross; Hanson, Brian E.","Five New Zinc Phosphite Structures: Tertiary Building Blocks in the Construction of Hybrid Materials","Inorganic Chemistry","2005","44","8","2719","2727","10.1021/ic048204u","","x-ray","0.71073","MoKα","","0.083","0.0603","","","0.161","0.1772","","","","","","1.034","","","","has coordinates","210165","2020-10-21","18:00:00",""
"4300774","11.2732","0.0013","8.8605","0.0009","9.9607","0.0011","90","","110.166","0.01","90","","933.94","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N2 O3 P Zn -","- C7 H8 N2 O3 P Zn -","- C28 H32 N8 O12 P4 Zn4 -","4","1","","Fan, Jian; Slebodnick, Carla; Troya, Diego; Angel, Ross; Hanson, Brian E.","Five New Zinc Phosphite Structures: Tertiary Building Blocks in the Construction of Hybrid Materials","Inorganic Chemistry","2005","44","8","2719","2727","10.1021/ic048204u","","x-ray","0.71073","MoKα","","0.0667","0.0641","","","0.1675","0.1749","","","","","","1.195","","","","has coordinates","210165","2020-10-21","18:00:00",""
"4300775","10.8713","0.0009","10.1001","0.0007","18.2501","0.0011","90","","90.285","0.006","90","","2003.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N4 O6 P2 Zn2 -","- C14 H16 N4 O6.436 P2 Zn2 -","- C56 H64 N16 O25.744 P8 Zn8 -","4","1","","Fan, Jian; Slebodnick, Carla; Troya, Diego; Angel, Ross; Hanson, Brian E.","Five New Zinc Phosphite Structures: Tertiary Building Blocks in the Construction of Hybrid Materials","Inorganic Chemistry","2005","44","8","2719","2727","10.1021/ic048204u","","x-ray","0.71073","MoKα","","0.0656","0.0424","","","0.0909","0.1001","","","","","","0.971","","","","has coordinates","210165","2020-10-21","18:00:00",""
"4300776","7.6613","0.0005","16.3179","0.0011","14.5275","0.001","90","","92.866","0.006","90","","1813.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N4 O6 P2 Zn2 -","- C14 H16 N4 O6 P2 Zn2 -","- C56 H64 N16 O24 P8 Zn8 -","4","1","","Fan, Jian; Slebodnick, Carla; Troya, Diego; Angel, Ross; Hanson, Brian E.","Five New Zinc Phosphite Structures: Tertiary Building Blocks in the Construction of Hybrid Materials","Inorganic Chemistry","2005","44","8","2719","2727","10.1021/ic048204u","","x-ray","0.71073","MoKα","","0.0329","0.0255","","","0.0633","0.0663","","","","","","1.02","","","","has coordinates","210165","2020-10-21","18:00:00",""
"4300777","13.387","0.013","19.829","0.003","20.249","0.003","95.2","0.01","97.82","0.04","97.33","0.03","5250","5","295","2","295","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H24 K4 Na3 O86 P2 Ru2 W23 -","- C12 K4 Na4 O86 P2 Ru2 W23 -","- C24 K8 Na8 O172 P4 Ru4 W46 -","2","1","","Artero, V.; Laurencin, D.; Villanneau, R.; Thouvenot, R.; Herson, P.; Gouzerh, P.; Proust, A.","Synthesis, Characterization, and Photochemical Behavior of {Ru(arene)}2+Derivatives of α-[PW11O39]7-: An Organometallic Way to Ruthenium-Substituted Heteropolytungstates","Inorganic Chemistry","2005","44","8","2826","2835","10.1021/ic0482180","","","0.71073","MoKα","","0.1733","0.0684","","0.0793","0.0744","0.0744","","","","","","1.0801","","","","has coordinates","210162","2020-10-21","18:00:00",""
"4300778","21.631","0.006","12.0258","0.0017","21.892","0.004","90","","95.85","0.02","90","","5665","2","295","","295","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C10 H24 Cs3 K3 O44 P Ru W11 -","- C10 Cs3 K3 O44 P Ru W11 -","- C40 Cs12 K12 O176 P4 Ru4 W44 -","4","1","","Artero, V.; Laurencin, D.; Villanneau, R.; Thouvenot, R.; Herson, P.; Gouzerh, P.; Proust, A.","Synthesis, Characterization, and Photochemical Behavior of {Ru(arene)}2+Derivatives of α-[PW11O39]7-: An Organometallic Way to Ruthenium-Substituted Heteropolytungstates","Inorganic Chemistry","2005","44","8","2826","2835","10.1021/ic0482180","","","0.71073","MoKα","","0.1668","0.082","","0.179","0.0914","0.0914","","","","","","1.0958","","","","has coordinates","210162","2020-10-21","18:00:00",""
"4300779","23.13","0.006","19.726","0.005","24.537","0.008","90","","117.69","0.02","90","","9913","5","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 K7 O84 P2 Ru2 W23 -","- C14 K7 O84 P2 Ru2 W23 -","- C56 K28 O336 P8 Ru8 W92 -","4","1","","Artero, V.; Laurencin, D.; Villanneau, R.; Thouvenot, R.; Herson, P.; Gouzerh, P.; Proust, A.","Synthesis, Characterization, and Photochemical Behavior of {Ru(arene)}2+Derivatives of α-[PW11O39]7-: An Organometallic Way to Ruthenium-Substituted Heteropolytungstates","Inorganic Chemistry","2005","44","8","2826","2835","10.1021/ic0482180","","","0.71073","MoKα","","0.1584","0.0572","","0.1957","0.0643","0.0643","","","","","","1.0885","","","","has coordinates","210162","2020-10-21","18:00:00",""
"4300780","9.614","0.002","13.825","0.003","18.667","0.003","90","","90","","90","","2481.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Cl2 N2 O Zn -","- C25 H26 Cl2 N2 O Zn -","- C100 H104 Cl8 N8 O4 Zn4 -","4","1","","Prabhakar, Maddela; Zacharias, Panthapally S.; Das, Samar K.","Self-Assembly of a Fluorescent Chiral Zinc(II) Complex That Leads to Supramolecular Helices","Inorganic Chemistry","2005","44","8","2585","2587","10.1021/ic048236h","","","0.71073","MoKα","","0.058","0.0352","","","0.0743","0.0907","","","","","","1.065","","","","has coordinates","210171","2020-10-21","18:00:00",""
"4300781","19.8754","0.0017","19.8754","0.0017","22.344","0.004","90","","90","","120","","7644","1.7","200","2","473","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- Cl2 Co15 H155 Na5 O172 Si3 W24 -","- Cl2 Co15 Na3 O176 Si3 W24 -","- Cl4 Co30 Na6 O352 Si6 W48 -","2","0.166667","","Bassil, Bassem S.; Nellutla, Saritha; Kortz, Ulrich; Stowe, Ashley C.; van Tol, Johan; Dalal, Naresh S.; Keita, Bineta; Nadjo, Louis","The Satellite-Shaped Co-15 Polyoxotungstate [Co~6~(H~2~O)~30~{Co~9~Cl~2~(OH)~3~(H~2~O)~9~(SiW~8~O~31~)~3~}]^5-^","Inorganic Chemistry","2005","44","8","2659","2665","10.1021/ic048269x","","","0.71073","MoKα","","0.0854","0.0805","","","0.1496","0.1517","","","","","","1.349","","","","has coordinates","209986","2020-10-21","18:00:00",""
"4300782","9.0109","0.0007","9.352","0.0008","15.3439","0.0013","84.454","0.001","85.441","0.002","81.534","0.002","1270.15","0.18","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H37 N2 P Si3 -","- C21 H37 N2 P Si3 -","- C42 H74 N4 P2 Si6 -","2","1","","Gerd Fischer; Sebastian Herler; Peter Mayer; Axel Schulz; Alexander Villinger; Jan J. Weigand","Mono-, Di-, and Tricoordinated Phosphorus Attached to a N-N Unit: An Experimental and Theoretical Study","Inorganic Chemistry","2005","44","","1740","1751","10.1021/ic048286m","","","0.71073","MoKα","","0.0433","0.0375","","","0.0985","0.1024","","","","","","1.044","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4300783","15.5811","0.0012","9.2489","0.0008","16.2147","0.0011","90","","110.908","0.008","90","","2182.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H32 Cl N2 P Si3 -","- C15 H32 Cl N2 P Si3 -","- C60 H128 Cl4 N8 P4 Si12 -","4","1","","Gerd Fischer; Sebastian Herler; Peter Mayer; Axel Schulz; Alexander Villinger; Jan J. Weigand","Mono-, Di-, and Tricoordinated Phosphorus Attached to a N-N Unit: An Experimental and Theoretical Study","Inorganic Chemistry","2005","44","","1740","1751","10.1021/ic048286m","","","0.71073","MoKα","","0.0933","0.0394","","","0.0733","0.0802","","","","","","0.777","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300784","13.669","0.003","27.625","0.006","15.347","0.003","90","","98.47","0.03","90","","5732","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H86 Cl2 Mg3 N4 O8 P2 Si6 -","- C34 H86 Cl2 Mg3 N4 O8 P2 Si6 -","- C136 H344 Cl8 Mg12 N16 O32 P8 Si24 -","4","1","","Gerd Fischer; Sebastian Herler; Peter Mayer; Axel Schulz; Alexander Villinger; Jan J. Weigand","Mono-, Di-, and Tricoordinated Phosphorus Attached to a N-N Unit: An Experimental and Theoretical Study","Inorganic Chemistry","2005","44","","1740","1751","10.1021/ic048286m","","","0.71073","MoKα","","0.0829","0.0509","","","0.1264","0.1408","","","","","","1.037","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300785","8.8653","0.0001","37.648","0.0004","16.0046","0.0002","90","","93.2525","0.0004","90","","5333.1","0.11","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 N2 P S Si3 -","- C21 H37 N2 P S Si3 -","- C168 H296 N16 P8 S8 Si24 -","8","2","","Gerd Fischer; Sebastian Herler; Peter Mayer; Axel Schulz; Alexander Villinger; Jan J. Weigand","Mono-, Di-, and Tricoordinated Phosphorus Attached to a N-N Unit: An Experimental and Theoretical Study","Inorganic Chemistry","2005","44","","1740","1751","10.1021/ic048286m","","","0.71073","MoKα","","0.09","0.0476","","","0.1048","0.1198","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300786","11.4595","0.0011","8.8258","0.0008","19.7469","0.0019","90","","93.203","0.002","90","","1994.1","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Ag2 F6 N4 O10 S2 -","- C38 H32 Ag2 F6 N4 O10 S2 -","- C76 H64 Ag4 F12 N8 O20 S4 -","2","0.5","","Oh, Moonhyun; Stern, Charlotte L.; Mirkin, Chad A.","Coordination Polymers from Silver(I) and Bifunctional Pyridyl Ligands","Inorganic Chemistry","2005","44","8","2647","2653","10.1021/ic0482990","","","0.71073","MoKα","","0.0447","0.0335","","","0.0782","0.0844","","","","","","1.083","","","","has coordinates","182014","2020-10-21","18:00:00",""
"4300787","14.5894","0.0011","14.5894","0.0011","8.5601","0.0009","90","","90","","90","","1822","0.3","153","2","153","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C37 H32 Ag F3 N4 O7 S -","- C36 H32 Ag N4 O4 -","- C72 H64 Ag2 N8 O8 -","2","0.25","","Oh, Moonhyun; Stern, Charlotte L.; Mirkin, Chad A.","Coordination Polymers from Silver(I) and Bifunctional Pyridyl Ligands","Inorganic Chemistry","2005","44","8","2647","2653","10.1021/ic0482990","","","0.71073","MoKα","","0.0646","0.0436","","","0.108","0.1146","","","","","","0.961","","","","has coordinates","182014","2020-10-21","18:00:00",""
"4300788","14.4669","0.0009","8.8499","0.0005","19.0088","0.0012","90","","102.498","0.001","90","","2376","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Ag F3 N2 O5 S -","- C25 H20 Ag F3 N2 O5 S -","- C100 H80 Ag4 F12 N8 O20 S4 -","4","1","","Oh, Moonhyun; Stern, Charlotte L.; Mirkin, Chad A.","Coordination Polymers from Silver(I) and Bifunctional Pyridyl Ligands","Inorganic Chemistry","2005","44","8","2647","2653","10.1021/ic0482990","","","0.71073","MoKα","","0.0463","0.0339","","","0.0808","0.0863","","","","","","1.073","","","","has coordinates","182014","2020-10-21","18:00:00",""
"4300789","8.7805","0.0006","17.4841","0.0012","18.617","0.0012","113.745","0.001","102.702","0.001","91.073","0.001","2533.6","0.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag F3 N2 O5 S -","- C26 H22 Ag F3 N2 O5 S -","- C104 H88 Ag4 F12 N8 O20 S4 -","4","2","","Oh, Moonhyun; Stern, Charlotte L.; Mirkin, Chad A.","Coordination Polymers from Silver(I) and Bifunctional Pyridyl Ligands","Inorganic Chemistry","2005","44","8","2647","2653","10.1021/ic0482990","","","0.71073","MoKα","","0.0521","0.037","","","0.0902","0.0984","","","","","","1.064","","","","has coordinates","182014","2020-10-21","18:00:00",""
"4300790","9.05","0.0006","10.7333","0.0007","11.3373","0.0007","91.481","0.001","94.702","0.001","111.903","0.001","1016.43","0.11","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Ag2 F6 N4 O8 S4 -","- C38 H32 Ag2 F6 N4 O8 S4 -","- C38 H32 Ag2 F6 N4 O8 S4 -","1","0.5","","Oh, Moonhyun; Stern, Charlotte L.; Mirkin, Chad A.","Coordination Polymers from Silver(I) and Bifunctional Pyridyl Ligands","Inorganic Chemistry","2005","44","8","2647","2653","10.1021/ic0482990","","","0.71073","MoKα","","0.0438","0.0389","","","0.1047","0.1094","","","","","","1.028","","","","has coordinates","182014","2020-10-21","18:00:00",""
"4300791","8.563","0.003","9.015","0.003","16.064","0.005","86.167","0.005","83.847","0.005","71.745","0.004","1170.1","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 Ag F3 N2 O4.5 S2 -","- C21 H16 Ag F3 N2 O4.5 S2 -","- C42 H32 Ag2 F6 N4 O9 S4 -","2","1","","Oh, Moonhyun; Stern, Charlotte L.; Mirkin, Chad A.","Coordination Polymers from Silver(I) and Bifunctional Pyridyl Ligands","Inorganic Chemistry","2005","44","8","2647","2653","10.1021/ic0482990","","","0.71073","MoKα","","0.0554","0.0431","","","0.1242","0.1368","","","","","","1.039","","","","has coordinates,has disorder","182014","2020-10-21","18:00:00",""
"4300792","10.9749","0.0003","11.5671","0.0003","20.1699","0.0005","92.365","0.002","95.3","0.002","114.092","0.002","2318.69","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H40 B9 Cl4 Mn O3 P2 Pd -","- C38 H40 B9 Cl4 Mn O3 P2 Pd -","- C76 H80 B18 Cl8 Mn2 O6 P4 Pd2 -","2","1","","Du, Shaowu; Jeffery, John C.; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Miller, Thomas A.; Riis-Johannessen, T.; Stone, F. Gordon A.","Reactions of the Dianion [1,1,1-(CO)3-2-Ph-closo-1,2-MnCB9H9]2- with Transition-Metal Cations: Facile Insertion and Then Extrusion of Cluster Vertexes","Inorganic Chemistry","2005","44","8","2815","2825","10.1021/ic048345w","","","1.54178","CuKα","","0.056","0.0509","","","0.1304","0.1332","","","","","","1.002","","","","has coordinates","210163","2020-10-21","18:00:00",""
"4300793","10.571","0.002","12.068","0.0019","18.59","0.004","103.014","0.017","95.691","0.017","113.966","0.017","2062.5","0.8","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H40 B9 Cl2 Mn O3 P2 Pt -","- C37 H40 B9 Cl2 Mn O3 P2 Pt -","- C74 H80 B18 Cl4 Mn2 O6 P4 Pt2 -","2","1","","Du, Shaowu; Jeffery, John C.; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Miller, Thomas A.; Riis-Johannessen, T.; Stone, F. Gordon A.","Reactions of the Dianion [1,1,1-(CO)3-2-Ph-closo-1,2-MnCB9H9]2- with Transition-Metal Cations: Facile Insertion and Then Extrusion of Cluster Vertexes","Inorganic Chemistry","2005","44","8","2815","2825","10.1021/ic048345w","","","0.71073","MoKα","","0.0631","0.0435","","","0.0925","0.0996","","","","","","1.024","","","","has coordinates,has disorder","210163","2020-10-21","18:00:00",""
"4300794","10.3831","0.0013","11.7188","0.0014","18.555","0.002","85.961","0.005","78.853","0.005","81.942","0.005","2191.1","0.4","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H44 B9 Cl2 Mn O5 P2 Pt -","- C39 H44 B9 Cl2 Mn O5 P2 Pt -","- C78 H88 B18 Cl4 Mn2 O10 P4 Pt2 -","2","1","","Du, Shaowu; Jeffery, John C.; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Miller, Thomas A.; Riis-Johannessen, T.; Stone, F. Gordon A.","Reactions of the Dianion [1,1,1-(CO)3-2-Ph-closo-1,2-MnCB9H9]2- with Transition-Metal Cations: Facile Insertion and Then Extrusion of Cluster Vertexes","Inorganic Chemistry","2005","44","8","2815","2825","10.1021/ic048345w","","","0.71073","MoKα","","0.0875","0.047","","","0.0669","0.075","","","","","","1.011","","","","has coordinates,has disorder","210163","2020-10-21","18:00:00",""
"4300795","10.0647","0.0011","11.028","0.0007","20.0776","0.0018","86.511","0.006","77.386","0.009","88.671","0.008","2170.6","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H41 B8 Cl4 Mn O3 P2 Pt -","- C38 H41 B8 Cl4 Mn O3 P2 Pt -","- C76 H82 B16 Cl8 Mn2 O6 P4 Pt2 -","2","1","","Du, Shaowu; Jeffery, John C.; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Miller, Thomas A.; Riis-Johannessen, T.; Stone, F. Gordon A.","Reactions of the Dianion [1,1,1-(CO)3-2-Ph-closo-1,2-MnCB9H9]2- with Transition-Metal Cations: Facile Insertion and Then Extrusion of Cluster Vertexes","Inorganic Chemistry","2005","44","8","2815","2825","10.1021/ic048345w","","","0.71073","MoKα","","0.0484","0.0412","","","0.1018","0.1074","","","","","","1.107","","","","has coordinates","210163","2020-10-21","18:00:00",""
"4300796","9.0368","0.0005","20.069","0.001","21.0286","0.001","90","","98.292","0.001","90","","3773.9","0.3","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 F6 N2 O P2 Ru -","- C38 H50 F6 N2 O P2 Ru -","- C152 H200 F24 N8 O4 P8 Ru4 -","4","1","","Zhang, Jubo; Gunnoe, T. Brent; Petersen, Jeffrey L.","Reactions of (PCP)Ru(CO)(NHPh)(PMe3) (PCP = 2,6-(CH2PtBu2)2C6H3) with Substrates That Possess Polar Bonds","Inorganic Chemistry","2005","44","8","2895","2907","10.1021/ic0483592","","","0.71073","MoKα","","0.0572","0.0431","","","0.1042","0.1112","","","","","","1.027","","","","has coordinates","210166","2020-10-21","18:00:00",""
"4300797","44.327","0.01","10.868","0.002","21.27","0.005","90","","116.77","0.003","90","","9149","3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H75 N3 O P2 Ru -","- C44 H75 N3 O P2 Ru -","- C352 H600 N24 O8 P16 Ru8 -","8","1","","Zhang, Jubo; Gunnoe, T. Brent; Petersen, Jeffrey L.","Reactions of (PCP)Ru(CO)(NHPh)(PMe3) (PCP = 2,6-(CH2PtBu2)2C6H3) with Substrates That Possess Polar Bonds","Inorganic Chemistry","2005","44","8","2895","2907","10.1021/ic0483592","","","0.71073","MoKα","","0.2285","0.0761","","","0.1363","0.1851","","","","","","0.931","","","","has coordinates","210166","2020-10-21","18:00:00",""
"4300798","13.237","0.0008","14.0281","0.0008","21.1699","0.0016","79.378","0.002","74.244","0.001","89.938","0.001","3713.5","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 N2 O2 P2 Ru -","- C38 H54 N2 O2 P2 Ru -","- C152 H216 N8 O8 P8 Ru4 -","4","2","","Zhang, Jubo; Gunnoe, T. Brent; Petersen, Jeffrey L.","Reactions of (PCP)Ru(CO)(NHPh)(PMe3) (PCP = 2,6-(CH2PtBu2)2C6H3) with Substrates That Possess Polar Bonds","Inorganic Chemistry","2005","44","8","2895","2907","10.1021/ic0483592","","","0.71073","MoKα","","0.1169","0.0587","","","0.1112","0.1318","","","","","","0.967","","","","has coordinates","210166","2020-10-21","18:00:00",""
"4300799","16.4184","0.0009","11.5064","0.0006","20.7716","0.0011","90","","109.963","0.001","90","","3688.3","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 N O2 P2 Ru -","- C38 H53 N O2 P2 Ru -","- C152 H212 N4 O8 P8 Ru4 -","4","1","","Zhang, Jubo; Gunnoe, T. Brent; Petersen, Jeffrey L.","Reactions of (PCP)Ru(CO)(NHPh)(PMe3) (PCP = 2,6-(CH2PtBu2)2C6H3) with Substrates That Possess Polar Bonds","Inorganic Chemistry","2005","44","8","2895","2907","10.1021/ic0483592","","","0.71073","MoKα","","0.0957","0.0502","","","0.1184","0.1417","","","","","","0.986","","","","has coordinates","210166","2020-10-21","18:00:00",""
"4300800","12.9533","0.001","17.0324","0.0014","16.538","0.0013","90","","107.029","0.003","90","","3488.7","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ar*PbBr(NH3)","","","- C36 H51.25 Br0.75 N0.75 Pb0.75 -","- C36 H51.25 Br0.75 N0.75 Pb0.75 -","- C144 H205 Br3 N3 Pb3 -","4","1","","Stanciu, Corneliu; Hino, Shirley S.; Stender, Matthias; Richards, Anne F.; Olmstead, Marilyn M.; Power, Philip P.","Synthesis and Characterization of Ge(II), Sn(II), and Pb(II) Monoamides with -NH2 Ligands","Inorganic Chemistry","2005","44","8","2774","2780","10.1021/ic048362l","","","0.71073","MoKα","","0.0536","0.0397","","","0.1033","0.1096","","","","","","1.075","","","","has coordinates,has disorder","210167","2020-10-21","18:00:00",""
"4300801","43.49","0.005","16.84","0.002","18.469","0.002","90","","114.265","0.002","90","","12331","2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(Dipp*GeNH2)2].1.5toluene","","","- C70.5 H90 Ge2 N2 -","- C70.5 H90 Ge2 N2 -","- C564 H720 Ge16 N16 -","8","1","","Stanciu, Corneliu; Hino, Shirley S.; Stender, Matthias; Richards, Anne F.; Olmstead, Marilyn M.; Power, Philip P.","Synthesis and Characterization of Ge(II), Sn(II), and Pb(II) Monoamides with -NH2 Ligands","Inorganic Chemistry","2005","44","8","2774","2780","10.1021/ic048362l","","","0.71073","MoKα","","0.0784","0.0434","","","0.1017","0.127","","","","","","1.065","","","","has coordinates,has disorder","210167","2020-10-21","18:00:00",""
"4300802","9.7531","0.0004","13.2513","0.0005","13.7548","0.0005","92.978","0.001","93.222","0.001","94.684","0.001","1766.09","0.12","90","2","90","2","","","","","","","","4","P -1","-P 1","2","[Ar*SnNH~2~]~2~.hexane","","","- C78 H116 N2 Sn2 -","- C78 H116 N2 Sn2 -","- C78 H116 N2 Sn2 -","1","0.5","","Stanciu, Corneliu; Hino, Shirley S.; Stender, Matthias; Richards, Anne F.; Olmstead, Marilyn M.; Power, Philip P.","Synthesis and Characterization of Ge(II), Sn(II), and Pb(II) Monoamides with -NH2 Ligands","Inorganic Chemistry","2005","44","8","2774","2780","10.1021/ic048362l","","","0.71073","MoKα","","0.0249","0.0226","","","0.0575","0.0587","","","","","","1.056","","","","has coordinates","210167","2020-10-21","18:00:00",""
"4300803","11.886","0.003","11.096","0.003","16.474","0.004","90","","90.044","0.005","90","","2172.7","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H35 B8 N Ru -","- C17 H35 B8 N Ru -","- C68 H140 B32 N4 Ru4 -","4","1","","Josef Holub; Bohumír Grüner; Dmitry S. Perekalin; Denis G. Golovanov; Konstantin A. Lyssenko; Pavel V. Petrovskii; Alexander R. Kudinov; Bohumil Štíbr","Synthesis and Rearrangements of Aminosubstituted Ferra- and Ruthenatricarbaboranes","Inorganic Chemistry","2005","44","","1655","1659","10.1021/ic0483702","","","0.71073","MoKα","","0.0623","0.0419","","","0.0837","0.0897","","","","","","1.071","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300804","8.481","0.0009","14.7704","0.0014","18.769","0.002","90","","90","","90","","2351.2","0.4","160","2","160","2","","","","","","","","5","P b n b","-P 2bc 2ab","56","","","","- C22 H26 Fe N6 O8 -","- C22 H26 Fe N6 O8 -","- C88 H104 Fe4 N24 O32 -","4","0.5","","Lionel Salmon; Azzedine Bousseksou; Bruno Donnadieu; Jean-Pierre Tuchagues","Two Novel Iron(II) Materials Based on Dianionic N4O2 Schiff Bases: Structural Properties and Spin-Crossover Characteristics in the Series [Fe(3-X,5-NO2-sal-N(1,4,7,10)] (X = H, 3-MeO, 3-EtO)","Inorganic Chemistry","2005","44","","1763","1773","10.1021/ic048387k","","","0.71073","MoKα","","0.0382","0.0293","","","0.0728","0.0766","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300805","8.5317","0.0008","14.4674","0.0015","18.814","0.002","90","","90","","90","","2322.2","0.4","100","2","100","2","","","","","","","","5","P b n b","-P 2bc 2ab","56","","","","- C22 H26 Fe N6 O8 -","- C22 H26 Fe N6 O8 -","- C88 H104 Fe4 N24 O32 -","4","0.5","","Lionel Salmon; Azzedine Bousseksou; Bruno Donnadieu; Jean-Pierre Tuchagues","Two Novel Iron(II) Materials Based on Dianionic N4O2 Schiff Bases: Structural Properties and Spin-Crossover Characteristics in the Series [Fe(3-X,5-NO2-sal-N(1,4,7,10)] (X = H, 3-MeO, 3-EtO)","Inorganic Chemistry","2005","44","","1763","1773","10.1021/ic048387k","","","0.71073","MoKα","","0.0651","0.0476","","","0.1052","0.1122","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300806","10.265","0.004","10.861","0.004","14.181","0.005","84.18","0.04","70.53","0.05","88.95","0.05","1482.7","1.1","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Fe N6 O9 -","- C28 H38 Fe N6 O9 -","- C56 H76 Fe2 N12 O18 -","2","1","","Lionel Salmon; Azzedine Bousseksou; Bruno Donnadieu; Jean-Pierre Tuchagues","Two Novel Iron(II) Materials Based on Dianionic N4O2 Schiff Bases: Structural Properties and Spin-Crossover Characteristics in the Series [Fe(3-X,5-NO2-sal-N(1,4,7,10)] (X = H, 3-MeO, 3-EtO)","Inorganic Chemistry","2005","44","","1763","1773","10.1021/ic048387k","","","0.71073","MoKα","","0.1219","0.0998","","","0.2045","0.2411","","","","","","0.989","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300807","8.253","0.0015","9.942","0.0012","10.6695","0.0018","103.695","0.01","91.346","0.015","92.089","0.013","849.5","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","PtCl2(NHC(Et)ON(Me)2)2","","","- C10 H24 Cl2 N4 O2 Pt -","- C10 H24 Cl2 N4 O2 Pt -","- C20 H48 Cl4 N8 O4 Pt2 -","2","1","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Ryabov, Alexander D.; Haukka, Matti; Pombeiro, Armando J. L.","Kinetic and Mechanistic Study of the Pt(II) versus Pt(IV) Effect in the Platinum-Mediated Nitrile‒Hydroxylamine Coupling","Inorganic Chemistry","2005","44","8","2944","2953","10.1021/ic048388c","","","0.71073","MoKα","","0.0343","0.03","","","0.0724","0.0742","","","","","","1.087","","","","has coordinates","210160","2020-10-21","18:00:00",""
"4300808","11.2917","0.0016","13.2252","0.0015","14.9965","0.0014","90","","99.251","0.011","90","","2210.4","0.5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PtCl2(NHC(Et)ON(Et)2)2","","","- C14 H32 Cl2 N4 O2 Pt -","- C14 H32 Cl2 N4 O2 Pt -","- C56 H128 Cl8 N16 O8 Pt4 -","4","1","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Ryabov, Alexander D.; Haukka, Matti; Pombeiro, Armando J. L.","Kinetic and Mechanistic Study of the Pt(II) versus Pt(IV) Effect in the Platinum-Mediated Nitrile‒Hydroxylamine Coupling","Inorganic Chemistry","2005","44","8","2944","2953","10.1021/ic048388c","","","0.71073","MoKα","","0.0336","0.0221","","","0.0406","0.0431","","","","","","1.047","","","","has coordinates","210160","2020-10-21","18:00:00",""
"4300809","13.1961","0.0004","10.3787","0.0002","13.3755","0.0004","90","","101.723","0.001","90","","1793.68","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","PtCl2(NHC(Et)ON(CH2C6H4Cl)2)2","","","- C34 H36 Cl6 N4 O2 Pt -","- C34 H36 Cl6 N4 O2 Pt -","- C68 H72 Cl12 N8 O4 Pt2 -","2","1","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Ryabov, Alexander D.; Haukka, Matti; Pombeiro, Armando J. L.","Kinetic and Mechanistic Study of the Pt(II) versus Pt(IV) Effect in the Platinum-Mediated Nitrile‒Hydroxylamine Coupling","Inorganic Chemistry","2005","44","8","2944","2953","10.1021/ic048388c","","","0.71073","MoKα","","0.0212","0.0195","","","0.0457","0.0464","","","","","","1.047","","","","has coordinates","210160","2020-10-21","18:00:00",""
"4300810","10.0914","0.0007","19.504","0.002","42.279","0.005","90","","90","","90","","8321.5","1.4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Ph3PCH2Ph][PtCl5{NHC(Et)ON(CH2Ph)2}]","","","- C42 H42 Cl5 N2 O P Pt -","- C42 H42 Cl5 N2 O P Pt -","- C336 H336 Cl40 N16 O8 P8 Pt8 -","8","1","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Ryabov, Alexander D.; Haukka, Matti; Pombeiro, Armando J. L.","Kinetic and Mechanistic Study of the Pt(II) versus Pt(IV) Effect in the Platinum-Mediated Nitrile‒Hydroxylamine Coupling","Inorganic Chemistry","2005","44","8","2944","2953","10.1021/ic048388c","","","0.71073","MoKα","","0.1187","0.057","","","0.1107","0.1339","","","","","","1.049","","","","has coordinates","210160","2020-10-21","18:00:00",""
"4300812","11.125","0.002","11.133","0.002","31.458","0.006","95.35","0.004","95.12","0.004","115.772","0.003","3456.6","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H76 O4 P4 -","- C84 H76 O4 P4 -","- C168 H152 O8 P8 -","2","1","","Sanghoon Kim; Jong Seung Kim; Sung Kuk Kim; Il-Hwan Suh; Sang Ook Kang; Jaejung Ko","Two Organometallic Fragments Inclusioned in a 1,3-Alternate Calix[4]arene Tetraphosphane: Evidence for Transition Metal-Arene Interaction through the Cavity","Inorganic Chemistry","2005","44","","1846","1851","10.1021/ic048402l","","","0.71073","MoKα","","0.1082","0.0515","","","0.1135","0.1333","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300813","18.7622","0.0014","13.7204","0.001","32.702","0.002","90","","97.978","0.001","90","","8336.8","1","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C86 H80 Ag2 B2 Cl4 F8 O4 P4 -","- C86 H80 Ag2 B2 Cl4 F8 O4 P4 -","- C344 H320 Ag8 B8 Cl16 F32 O16 P16 -","4","0.5","","Sanghoon Kim; Jong Seung Kim; Sung Kuk Kim; Il-Hwan Suh; Sang Ook Kang; Jaejung Ko","Two Organometallic Fragments Inclusioned in a 1,3-Alternate Calix[4]arene Tetraphosphane: Evidence for Transition Metal-Arene Interaction through the Cavity","Inorganic Chemistry","2005","44","","1846","1851","10.1021/ic048402l","","","0.71073","MoKα","","0.1388","0.0555","","","0.1404","0.1727","","","","","","0.883","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300814","23.5527","0.0012","11.127","0.0005","19.8941","0.001","90","","111.294","0.001","90","","4857.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Nitrilotris(3,5-di-tert-butyl-2-cresolato)](tropolonato)titanium(IV)","","","- C52 H71 N O5 Ti -","- C52 H71 N O5 Ti -","- C208 H284 N4 O20 Ti4 -","4","1","","Fortner, Kevin C.; Bigi, Julian P.; Brown, Seth N.","Six-Coordinate Titanium Complexes of a Tripodal Aminetris(phenoxide) Ligand: Synthesis, Structure, and Dynamics","Inorganic Chemistry","2005","44","8","2803","2814","10.1021/ic048403d","","","0.71073","MoKα","","0.0507","0.0426","","0.1155","0.1096","","","","1.018","1.047","1.047","","","","","has coordinates","210269","2020-10-21","18:00:00",""
"4300815","14.4659","0.0007","11.9192","0.0006","28.9215","0.0015","90","","103.075","0.001","90","","4857.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Nitrilotris(3,5-di-tert-butyl-2-cresolato)](acetylacetonato)titanium(IV)","","","- C50 H73 N O5 Ti -","- C50 H73 N O5 Ti -","- C200 H292 N4 O20 Ti4 -","4","1","","Fortner, Kevin C.; Bigi, Julian P.; Brown, Seth N.","Six-Coordinate Titanium Complexes of a Tripodal Aminetris(phenoxide) Ligand: Synthesis, Structure, and Dynamics","Inorganic Chemistry","2005","44","8","2803","2814","10.1021/ic048403d","","","0.71073","MoKα","","0.05","0.0429","","0.1234","0.1167","","","","1.019","1.04","1.04","","","","","has coordinates","210269","2020-10-21","18:00:00",""
"4300816","12.6377","0.0008","14.5709","0.0009","16.8667","0.001","81.11","0.001","69.212","0.001","65.403","0.001","2640.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Nitrilotris(3,5-di-tert-butyl-2-cresolato)](8-oxyquinolinato)titanium(IV) acetonitrile hemibenzene solvate","","","- C59 H78 N3 O4 Ti -","- C59 H78 N3 O4 Ti -","- C118 H156 N6 O8 Ti2 -","2","1","","Fortner, Kevin C.; Bigi, Julian P.; Brown, Seth N.","Six-Coordinate Titanium Complexes of a Tripodal Aminetris(phenoxide) Ligand: Synthesis, Structure, and Dynamics","Inorganic Chemistry","2005","44","8","2803","2814","10.1021/ic048403d","","","0.71073","MoKα","","0.0754","0.0475","","0.1189","0.1054","","","","1.005","1.066","1.066","","","","","has coordinates","210269","2020-10-21","18:00:00",""
"4300817","20.677","0.0009","11.7837","0.0005","22.4263","0.001","90","","106.357","0.001","90","","5243","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Nitrilotris(3,5-di-tert-butyl-2-cresolato)](2,6-diformyl-4-cresolato) titanium(IV) dichloromethane solvate","","","- C55 H75 Cl2 N O6 Ti -","- C55 H75 Cl2 N O6 Ti -","- C220 H300 Cl8 N4 O24 Ti4 -","4","1","","Fortner, Kevin C.; Bigi, Julian P.; Brown, Seth N.","Six-Coordinate Titanium Complexes of a Tripodal Aminetris(phenoxide) Ligand: Synthesis, Structure, and Dynamics","Inorganic Chemistry","2005","44","8","2803","2814","10.1021/ic048403d","","","0.71073","MoKα","","0.107","0.0817","","0.2438","0.2183","","","","1.012","1.053","1.053","","","","","has coordinates","210269","2020-10-21","18:00:00",""
"4300818","27.0249","0.0018","13.5399","0.0009","34.491","0.002","90","","101.66","0.001","90","","12360.3","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Bis[Nitrilotris(3,5-di-tert-butyl-2-cresolato)]di(mu-dibenzylphosphato) dititanium(IV) tetrakis(dichloromethane) solvate","","","- C122 H168 Cl8 N2 O14 P2 Ti2 -","- C122 H168 Cl8 N2 O14 P2 Ti2 -","- C488 H672 Cl32 N8 O56 P8 Ti8 -","4","0.5","","Fortner, Kevin C.; Bigi, Julian P.; Brown, Seth N.","Six-Coordinate Titanium Complexes of a Tripodal Aminetris(phenoxide) Ligand: Synthesis, Structure, and Dynamics","Inorganic Chemistry","2005","44","8","2803","2814","10.1021/ic048403d","","","0.71073","MoKα","","0.1145","0.0966","","","0.2617","0.2758","","","","","","1.076","","","","has coordinates,has disorder","210269","2020-10-21","18:00:00",""
"4300819","18.025","0.0009","8.707","0.0004","20.7543","0.001","90","","90","","90","","3257.3","0.3","150","1","150","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H26 B2 Fe I2 N12 -","- C30 H26 B2 Fe I2 N12 -","- C120 H104 B8 Fe4 I8 N48 -","4","0.5","","Daniel L. Reger; James R. Gardinier; Mark D. Smith; Ahmed M. Shahin; Gary J. Long; Leila Rebbouh; Fernande Grandjean","Polymorphism in Fe[(p-IC6H4)B(3-Mepz)3]2 (pz = Pyrazolyl): Impact of Supramolecular Structure on an Iron(II) Electronic Spin-State Crossover","Inorganic Chemistry","2005","44","","1852","1866","10.1021/ic048406q","","","0.71073","MoKα","","0.0364","0.0337","","","0.075","0.0765","","","","","","1.057","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300820","11.1677","0.0006","13.0473","0.0007","13.1043","0.0007","90","","90.08","0.001","90","","1909.4","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 B2 Fe I2 N12 -","- C36 H38 B2 Fe I2 N12 -","- C72 H76 B4 Fe2 I4 N24 -","2","0.5","","Daniel L. Reger; James R. Gardinier; Mark D. Smith; Ahmed M. Shahin; Gary J. Long; Leila Rebbouh; Fernande Grandjean","Polymorphism in Fe[(p-IC6H4)B(3-Mepz)3]2 (pz = Pyrazolyl): Impact of Supramolecular Structure on an Iron(II) Electronic Spin-State Crossover","Inorganic Chemistry","2005","44","","1852","1866","10.1021/ic048406q","","","0.71073","MoKα","","0.0286","0.0272","","","0.0726","0.0734","","","","","","1.08","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300821","11.0501","0.0005","15.7119","0.0007","11.8054","0.0005","90","","102.927","0.001","90","","1997.68","0.15","294","1","294","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 B2 Fe I2 N12 -","- C36 H38 B2 Fe I2 N12 -","- C72 H76 B4 Fe2 I4 N24 -","2","0.5","","Daniel L. Reger; James R. Gardinier; Mark D. Smith; Ahmed M. Shahin; Gary J. Long; Leila Rebbouh; Fernande Grandjean","Polymorphism in Fe[(p-IC6H4)B(3-Mepz)3]2 (pz = Pyrazolyl): Impact of Supramolecular Structure on an Iron(II) Electronic Spin-State Crossover","Inorganic Chemistry","2005","44","","1852","1866","10.1021/ic048406q","","","0.71073","MoKα","","0.0455","0.0366","","","0.0954","0.0997","","","","","","1.012","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300822","10.7587","0.0005","15.7861","0.0008","11.6703","0.0006","90","","102.076","0.001","90","","1938.2","0.17","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 B2 Fe I2 N12 -","- C36 H38 B2 Fe I2 N12 -","- C72 H76 B4 Fe2 I4 N24 -","2","0.5","","Daniel L. Reger; James R. Gardinier; Mark D. Smith; Ahmed M. Shahin; Gary J. Long; Leila Rebbouh; Fernande Grandjean","Polymorphism in Fe[(p-IC6H4)B(3-Mepz)3]2 (pz = Pyrazolyl): Impact of Supramolecular Structure on an Iron(II) Electronic Spin-State Crossover","Inorganic Chemistry","2005","44","","1852","1866","10.1021/ic048406q","","","0.71073","MoKα","","0.0423","0.0355","","","0.0831","0.0866","","","","","","1.053","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300823","10.4732","0.0005","15.8022","0.0007","11.5601","0.0005","90","","101.12","0.001","90","","1877.27","0.15","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 B2 Fe I2 N12 -","- C36 H38 B2 Fe I2 N12 -","- C72 H76 B4 Fe2 I4 N24 -","2","0.5","","Daniel L. Reger; James R. Gardinier; Mark D. Smith; Ahmed M. Shahin; Gary J. Long; Leila Rebbouh; Fernande Grandjean","Polymorphism in Fe[(p-IC6H4)B(3-Mepz)3]2 (pz = Pyrazolyl): Impact of Supramolecular Structure on an Iron(II) Electronic Spin-State Crossover","Inorganic Chemistry","2005","44","","1852","1866","10.1021/ic048406q","","","0.71073","MoKα","","0.0309","0.0275","","","0.0662","0.0676","","","","","","1.043","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300824","12.076","0.0007","14.6548","0.0009","12.792","0.0008","90","","93.569","0.001","90","","2259.4","0.2","200","1","200","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 B2 Cl4 Fe I2 N12 -","- C38 H42 B2 Cl4 Fe I2 N12 -","- C76 H84 B4 Cl8 Fe2 I4 N24 -","2","0.5","","Daniel L. Reger; James R. Gardinier; Mark D. Smith; Ahmed M. Shahin; Gary J. Long; Leila Rebbouh; Fernande Grandjean","Polymorphism in Fe[(p-IC6H4)B(3-Mepz)3]2 (pz = Pyrazolyl): Impact of Supramolecular Structure on an Iron(II) Electronic Spin-State Crossover","Inorganic Chemistry","2005","44","","1852","1866","10.1021/ic048406q","","","0.71073","MoKα","","0.0358","0.0318","","","0.0772","0.0792","","","","","","1.051","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300825","11.8468","0.0007","14.5537","0.0009","12.7124","0.0008","90","","93.317","0.001","90","","2188.1","0.2","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 B2 Cl4 Fe I2 N12 -","- C38 H42 B2 Cl4 Fe I2 N12 -","- C76 H84 B4 Cl8 Fe2 I4 N24 -","2","0.5","","Daniel L. Reger; James R. Gardinier; Mark D. Smith; Ahmed M. Shahin; Gary J. Long; Leila Rebbouh; Fernande Grandjean","Polymorphism in Fe[(p-IC6H4)B(3-Mepz)3]2 (pz = Pyrazolyl): Impact of Supramolecular Structure on an Iron(II) Electronic Spin-State Crossover","Inorganic Chemistry","2005","44","","1852","1866","10.1021/ic048406q","","","0.71073","MoKα","","0.0302","0.0272","","","0.0663","0.0679","","","","","","1.055","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300826","8.729","0.005","15.213","0.007","13.902","0.004","90","","97.25","0.04","90","","1831.3","1.5","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H32 Al N5 -","- C13 H32 Al N5 -","- C52 H128 Al4 N20 -","4","1","","Kenney, Amanda P.; Yap, Glenn P. A.; Richeson, Darrin S.; Barry, Seán T.","The Insertion of Carbodiimides into Al and Ga Amido Linkages. Guanidinates and Mixed Amido Guanidinates of Aluminum and Gallium","Inorganic Chemistry","2005","44","8","2926","2933","10.1021/ic048433g","","","0.71073","MoKα","","0.0905","0.0721","","","0.1152","0.135","","","","","","1.009","","","","has coordinates","210168","2020-10-21","18:00:00",""
"4300827","9.345","0.003","16.241","0.004","17.524","0.005","90","","95.327","0.006","90","","2648.2","1.3","205","2","205","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 Ga N7 -","- C20 H46 Ga N7 -","- C80 H184 Ga4 N28 -","4","1","","Kenney, Amanda P.; Yap, Glenn P. A.; Richeson, Darrin S.; Barry, Seán T.","The Insertion of Carbodiimides into Al and Ga Amido Linkages. Guanidinates and Mixed Amido Guanidinates of Aluminum and Gallium","Inorganic Chemistry","2005","44","8","2926","2933","10.1021/ic048433g","","","0.71073","MoKα","","0.0932","0.0568","","","0.1059","0.1154","","","","","","1.036","","","","has coordinates","210168","2020-10-21","18:00:00",""
"4300828","8.754","0.002","14.065","0.003","15.4","0.004","90","","101.801","0.004","90","","1856","0.8","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H32 Ga N5 -","- C13 H32 Ga N5 -","- C52 H128 Ga4 N20 -","4","1","","Kenney, Amanda P.; Yap, Glenn P. A.; Richeson, Darrin S.; Barry, Seán T.","The Insertion of Carbodiimides into Al and Ga Amido Linkages. Guanidinates and Mixed Amido Guanidinates of Aluminum and Gallium","Inorganic Chemistry","2005","44","8","2926","2933","10.1021/ic048433g","","","0.71073","MoKα","","0.0564","0.0537","","","0.1513","0.156","","","","","","1.051","","","","has coordinates","210168","2020-10-21","18:00:00",""
"4300829","16.51","0.004","8.7542","0.0019","18.025","0.004","90","","93.185","0.004","90","","2601.2","1","206","2","206","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H23 Al0.5 N3.5 -","- C10 H23 Al0.5 N3.5 -","- C80 H184 Al4 N28 -","8","1","","Kenney, Amanda P.; Yap, Glenn P. A.; Richeson, Darrin S.; Barry, Seán T.","The Insertion of Carbodiimides into Al and Ga Amido Linkages. Guanidinates and Mixed Amido Guanidinates of Aluminum and Gallium","Inorganic Chemistry","2005","44","8","2926","2933","10.1021/ic048433g","","","0.71073","MoKα","","0.088","0.054","","","0.1164","0.127","","","","","","1.074","","","","has coordinates","210168","2020-10-21","18:00:00",""
"4300830","13.809","0.004","9.534","0.002","18.489","0.004","90","","98.808","0.017","90","","2405.5","1","207","2","207","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Al Cl N6 -","- C18 H40 Al Cl N6 -","- C72 H160 Al4 Cl4 N24 -","4","1","","Kenney, Amanda P.; Yap, Glenn P. A.; Richeson, Darrin S.; Barry, Seán T.","The Insertion of Carbodiimides into Al and Ga Amido Linkages. Guanidinates and Mixed Amido Guanidinates of Aluminum and Gallium","Inorganic Chemistry","2005","44","8","2926","2933","10.1021/ic048433g","","","0.71073","MoKα","","0.0595","0.0415","","","0.1034","0.1109","","","","","","1.032","","","","has coordinates","210168","2020-10-21","18:00:00",""
"4300831","5.5222","0.0011","12.403","0.003","15.454","0.003","87.71","0.03","89.57","0.03","78.1","0.03","1034.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H22 Fe2 N2 O15 P4 -","- C10 H22 Fe2 N2 O15 P4 -","- C20 H44 Fe4 N4 O30 P8 -","2","1","","Yin, Ping; Gao, Song; Wang, Zhe-Ming; Yan, Chun-Hua; Zheng, Li-Min; Xin, Xin-Quan","Field-Induced Magnetic Transitions in Metal Phosphonates with Ladderlike Chain Structures: (NH3C6H4NH3)M2(hedpH)2·H2O [M = Fe, Co, Mn, Zn; hedp = C(CH3)(OH)(PO3)2]","Inorganic Chemistry","2005","44","8","2761","2765","10.1021/ic048437l","","","0.71073","MoKα","","0.0737","0.0387","","","0.0787","0.0883","","","","","","0.991","","","","has coordinates","210169","2020-10-21","18:00:00",""
"4300832","5.4651","0.0014","12.406","0.003","15.362","0.004","87.452","0.004","88.909","0.004","78.415","0.004","1019.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H22 Co2 N2 O15 P4 -","- C10 H22 Co2 N2 O15 P4 -","- C20 H44 Co4 N4 O30 P8 -","2","1","","Yin, Ping; Gao, Song; Wang, Zhe-Ming; Yan, Chun-Hua; Zheng, Li-Min; Xin, Xin-Quan","Field-Induced Magnetic Transitions in Metal Phosphonates with Ladderlike Chain Structures: (NH3C6H4NH3)M2(hedpH)2·H2O [M = Fe, Co, Mn, Zn; hedp = C(CH3)(OH)(PO3)2]","Inorganic Chemistry","2005","44","8","2761","2765","10.1021/ic048437l","","","0.71073","MoKα","","0.0397","0.0321","","","0.0816","0.0927","","","","","","0.984","","","","has coordinates","210169","2020-10-21","18:00:00",""
"4300833","5.6083","0.0002","12.4098","0.0004","15.5105","0.0007","87.8985","0.0013","89.9113","0.0013","77.536","0.002","1053.32","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H22 Mn2 N2 O15 P4 -","- C10 H22 Mn2 N2 O15 P4 -","- C20 H44 Mn4 N4 O30 P8 -","2","1","","Yin, Ping; Gao, Song; Wang, Zhe-Ming; Yan, Chun-Hua; Zheng, Li-Min; Xin, Xin-Quan","Field-Induced Magnetic Transitions in Metal Phosphonates with Ladderlike Chain Structures: (NH3C6H4NH3)M2(hedpH)2·H2O [M = Fe, Co, Mn, Zn; hedp = C(CH3)(OH)(PO3)2]","Inorganic Chemistry","2005","44","8","2761","2765","10.1021/ic048437l","","","0.71073","MoKα","","0.1073","0.0438","","","0.0757","0.0898","","","","","","0.959","","","","has coordinates","210169","2020-10-21","18:00:00",""
"4300834","5.4895","0.0001","12.3661","0.0003","15.4141","0.0004","87.505","0.001","89.774","0.001","78.581","0.001","1024.67","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H22 N2 O15 P4 Zn2 -","- C10 H22 N2 O15 P4 Zn2 -","- C20 H44 N4 O30 P8 Zn4 -","2","1","","Yin, Ping; Gao, Song; Wang, Zhe-Ming; Yan, Chun-Hua; Zheng, Li-Min; Xin, Xin-Quan","Field-Induced Magnetic Transitions in Metal Phosphonates with Ladderlike Chain Structures: (NH3C6H4NH3)M2(hedpH)2·H2O [M = Fe, Co, Mn, Zn; hedp = C(CH3)(OH)(PO3)2]","Inorganic Chemistry","2005","44","8","2761","2765","10.1021/ic048437l","","","0.71073","MoKα","","0.0811","0.0396","","","0.0764","0.0873","","","","","","0.969","","","","has coordinates","210169","2020-10-21","18:00:00",""
"4300835","11.188","0.002","11.425","0.002","11.828","0.002","99.34","0.03","99.05","0.03","119.17","0.03","1252.7","0.7","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H56 Cl4 P2 Pt Se2 -","- C52 H56 Cl4 P2 Pt Se2 -","- C52 H56 Cl4 P2 Pt Se2 -","1","0.5","","Schäfer, Sven; Moser, Carmen; Tirrée, Jürgen J.; Nieger, Martin; Pietschnig, Rudolf","Synthesis and Structures of cis- and trans-Bis(alkyneselenolato)platinum(II) Complexes","Inorganic Chemistry","2005","44","8","2798","2802","10.1021/ic048454a","","","0.71073","MoKα","","0.0308","0.0257","","","0.0578","0.0599","","","","","","1.013","","","","has coordinates","210170","2020-10-21","18:00:00",""
"4300836","11.4545","0.0001","22.1938","0.0002","19.1997","0.0002","90","","104.241","0.001","90","","4730.93","0.08","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di(1-heptynylselenato)(1,1'diphenylphosphanoferrocene)platinum(II)","","- C54 H56 Fe P2 Pt Se2 -","- C54 H56 Fe P2 Pt Se2 -","- C216 H224 Fe4 P8 Pt4 Se8 -","4","1","","Schäfer, Sven; Moser, Carmen; Tirrée, Jürgen J.; Nieger, Martin; Pietschnig, Rudolf","Synthesis and Structures of cis- and trans-Bis(alkyneselenolato)platinum(II) Complexes","Inorganic Chemistry","2005","44","8","2798","2802","10.1021/ic048454a","","","0.71073","MoKα","","0.0495","0.0365","","","0.0992","0.1047","","","","","","1.04","","","","has coordinates,has disorder","210170","2020-10-21","18:00:00",""
"4300837","6.1071","0.0006","21.71","0.002","13.7316","0.0013","90","","102.521","0.002","90","","1777.3","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 Cl La N3 O9 P3 -","- C9 H22 Cl La N3 O9 P3 -","- C36 H88 Cl4 La4 N12 O36 P12 -","4","1","","John A. Groves; Paul A. Wright; Philip Lightfoot","Two Closely Related Lanthanum Phosphonate Frameworks Formed by Anion-Directed Linking of Inorganic Chains","Inorganic Chemistry","2005","44","","1736","1739","10.1021/ic048456v","","","0.71073","MoKα","","0.1076","0.0792","","","0.1264","0.134","","","","","","1.25","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300838","6.0394","0.0012","26.524","0.005","23.431","0.005","90","","93.71","0.03","90","","3745.5","1.3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C9 H21 Cl0.5 La N3 O9 P3 -","- C9 H21 Cl0.5 La N3 O9 P3 -","- C72 H168 Cl4 La8 N24 O72 P24 -","8","2","","John A. Groves; Paul A. Wright; Philip Lightfoot","Two Closely Related Lanthanum Phosphonate Frameworks Formed by Anion-Directed Linking of Inorganic Chains","Inorganic Chemistry","2005","44","","1736","1739","10.1021/ic048456v","","","0.71073","MoKα","","0.0874","0.0821","","","0.2114","0.2153","","","","","","1.154","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300839","7.2192","0.0002","8.8443","0.0003","17.2514","0.0006","81.23","0.002","84.417","0.002","89.45","0.002","1083.42","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Al2 F8 N2 O6 -","- C19 H18 Al2 F8 N2 O6 -","- C38 H36 Al4 F16 N4 O12 -","2","1","","Loiseau, Thierry; Muguerra, Hervé; Marrot, Jerôme; Férey, Gérard; Haouas, Mohamed; Taulelle, Francis","A Ladderlike Chain Aluminum Fluoride ([Al2F8]2-)n with Edge-Sharing AlF6 Octahedra","Inorganic Chemistry","2005","44","8","2920","2925","10.1021/ic048461z","","","0.71073","MoKα","","0.0516","0.0362","","","0.0977","0.1128","","","","","","1.08","","","","has coordinates","210172","2020-10-21","18:00:00",""
"4300840","8.877","0.003","11.036","0.003","11.584","0.004","72.62","0.02","71.06","0.02","87.98","0.03","1022","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","catena-bis(mu-Azido-N,N)-tetrakis(mu-azido-N,N'')- -tris(1,2-(4-pyridine-ethene))-tri-manganese(ii))","","- C36 H30 Mn3 N24 -","- C36 H30 Mn3 N24 -","- C36 H30 Mn3 N24 -","1","0.5","","A. K. Ghosh; D. Ghoshal; E. Zangrando; J. Ribas; N. Ray Chaudhuri","Rare Azido-Bridged Manganese(II) Systems: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","1786","1793","10.1021/ic048466w","","","0.71073","MoKα","","0.1071","0.0588","","","0.1446","0.1773","","","","","","1.048","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300841","7.06","0.003","10.345","0.003","11.697","0.004","106.86","0.02","113.33","0.02","96.39","0.03","725.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-(4,4'-bipyridine-N,N'oxide)-chloro-azido-bisaquo-manganese(II) hydrated","","- C10 H14 Cl Mn N5 O5 -","- C10 H14 Cl Mn N5 O5 -","- C20 H28 Cl2 Mn2 N10 O10 -","2","1","","A. K. Ghosh; D. Ghoshal; E. Zangrando; J. Ribas; N. Ray Chaudhuri","Rare Azido-Bridged Manganese(II) Systems: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","1786","1793","10.1021/ic048466w","","","1.54178","CuKα","","0.0642","0.0617","","","0.1765","0.1874","","","","","","1.109","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300842","11.6109","0.0018","23.191","0.004","32.917","0.005","90","","90","","90","","8864","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C83 H77 Cu3 I3 N P6 S -","- C83 H77 Cu3 I3 N P6 S -","- C332 H308 Cu12 I12 N4 P24 S4 -","4","1","","Tarlok S. Lobana; Ritu Sharma; Renu Sharma; Sheetal Mehra; Alfonso Castineiras; Peter Turner","Versatility of Heterocyclic Thioamides in the Construction of a Trinuclear Cluster [Cu3I3(dppe)3(SC5H4NH)] and CuILinear Polymers {Cu6(SC5H4NH)6I6}n.2nCH3CN and {CuI6(SC3H6N2)6X6}n (X = Br, I)","Inorganic Chemistry","2005","44","","1914","1921","10.1021/ic0484809","","","0.71073","MoKα","","0.1814","0.0724","","","0.1635","0.2126","","","","","","0.822","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300843","8.0465","0.0016","13.454","0.003","13.77","0.003","64.097","0.003","79.996","0.004","81.448","0.004","1316.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Cu3 I3 N4 S3 -","- C17 H18 Cu3 I3 N4 S3 -","- C34 H36 Cu6 I6 N8 S6 -","2","1","","Tarlok S. Lobana; Ritu Sharma; Renu Sharma; Sheetal Mehra; Alfonso Castineiras; Peter Turner","Versatility of Heterocyclic Thioamides in the Construction of a Trinuclear Cluster [Cu3I3(dppe)3(SC5H4NH)] and CuILinear Polymers {Cu6(SC5H4NH)6I6}n.2nCH3CN and {CuI6(SC3H6N2)6X6}n (X = Br, I)","Inorganic Chemistry","2005","44","","1914","1921","10.1021/ic0484809","","","0.71073","MoKα","","0.0513","0.0342","","","0.0828","0.0904","","","","","","0.962","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300844","7.595","0.0019","11.968","0.003","12.225","0.003","68.016","0.004","74.724","0.004","87.67","0.004","991.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H18 Br3 Cu3 N6 S3 -","- C9 H18 Br3 Cu3 N6 S3 -","- C18 H36 Br6 Cu6 N12 S6 -","2","1","","Tarlok S. Lobana; Ritu Sharma; Renu Sharma; Sheetal Mehra; Alfonso Castineiras; Peter Turner","Versatility of Heterocyclic Thioamides in the Construction of a Trinuclear Cluster [Cu3I3(dppe)3(SC5H4NH)] and CuILinear Polymers {Cu6(SC5H4NH)6I6}n.2nCH3CN and {CuI6(SC3H6N2)6X6}n (X = Br, I)","Inorganic Chemistry","2005","44","","1914","1921","10.1021/ic0484809","","","0.71069","MoKα","","0.0261","0.0225","","","0.0533","0.0539","","","","","","1.275","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300845","7.883","0.002","12.164","0.003","12.615","0.003","68.835","0.004","73.432","0.004","87.814","0.004","1078.4","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H18 Cu3 I3 N6 S3 -","- C9 H18 Cu3 I3 N6 S3 -","- C18 H36 Cu6 I6 N12 S6 -","2","1","","Tarlok S. Lobana; Ritu Sharma; Renu Sharma; Sheetal Mehra; Alfonso Castineiras; Peter Turner","Versatility of Heterocyclic Thioamides in the Construction of a Trinuclear Cluster [Cu3I3(dppe)3(SC5H4NH)] and CuILinear Polymers {Cu6(SC5H4NH)6I6}n.2nCH3CN and {CuI6(SC3H6N2)6X6}n (X = Br, I)","Inorganic Chemistry","2005","44","","1914","1921","10.1021/ic0484809","","","0.71073","MoKα","","0.0335","0.0328","","","0.0861","0.0865","","","","","","1.249","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300846","30.827","0.005","15.229","0.003","15.027","0.003","90","","94.288","0.003","90","","7035","2","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21.75 H18 S2 Ti -","- C21.75 H18 S2 Ti -","- C348 H288 S32 Ti16 -","16","2","","Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands","Inorganic Chemistry","2005","44","8","2710","2718","10.1021/ic048483l","","","0.71073","MoKα","","0.0575","0.0362","","","0.082","0.0914","","","","","","0.94","","","","has coordinates","210173","2020-10-21","18:00:00",""
"4300847","21.939","0.007","12.009","0.004","7.764","0.003","90","","91.461","0.005","90","","2044.9","1.2","125","2","125","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C25.5 H22 S2 Ti -","- C25.5 H21.5 S2 Ti -","- C102 H86 S8 Ti4 -","4","0.5","","Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands","Inorganic Chemistry","2005","44","8","2710","2718","10.1021/ic048483l","","","0.71073","MoKα","","0.0743","0.0418","","","0.0851","0.1016","","","","","","0.861","","","","has coordinates","210173","2020-10-21","18:00:00",""
"4300848","7.85","0.007","16.344","0.014","14.429","0.013","90","","92.167","0.017","90","","1850","3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 S2 Ti -","- C22 H18 S2 Ti -","- C88 H72 S8 Ti4 -","4","1","","Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands","Inorganic Chemistry","2005","44","8","2710","2718","10.1021/ic048483l","","","0.71073","MoKα","","0.1077","0.065","","","0.1551","0.1819","","","","","","0.855","","","","has coordinates","210173","2020-10-21","18:00:00",""
"4300849","10.892","0.0013","10.8871","0.0012","38.317","0.005","90","","90","","90","","4543.7","0.9","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H22 S2 Ti -","- C30 H22 S2 Ti -","- C240 H176 S16 Ti8 -","8","1","","Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands","Inorganic Chemistry","2005","44","8","2710","2718","10.1021/ic048483l","","","0.71073","MoKα","","0.2397","0.2185","","","0.4432","0.4558","","","","","","1.107","","","","has coordinates","210173","2020-10-21","18:00:00",""
"4300850","22.998","0.005","12.703","0.003","14.269","0.003","90","","105.689","0.007","90","","4013.3","1.5","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H20 O2 S2 Ti -","- C23.5 H20 O2 S2 Ti -","- C188 H160 O16 S16 Ti8 -","8","1","","Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands","Inorganic Chemistry","2005","44","8","2710","2718","10.1021/ic048483l","","","0.71073","MoKα","","0.0831","0.0425","","","0.0807","0.0907","","","","","","0.974","","","","has coordinates","210173","2020-10-21","18:00:00",""
"4300851","7.7413","0.0011","11.582","0.0017","23.933","0.004","90","","98.693","0.003","90","","2121.2","0.6","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H19 Cl0.5 O2 S2 Ti -","- C22.5 H19 Cl0.5 O2 S2 Ti -","- C90 H76 Cl2 O8 S8 Ti4 -","4","1","","Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands","Inorganic Chemistry","2005","44","8","2710","2718","10.1021/ic048483l","","","0.71073","MoKα","","0.1248","0.0711","","","0.1603","0.1838","","","","","","0.995","","","","has coordinates","210173","2020-10-21","18:00:00",""
"4300852","20.265","0.004","16.343","0.003","38.35","0.008","90","","103.036","0.004","90","","12374","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 Cl12 O12 Ti8 -","- C46 H52 Cl12 O12 Ti8 -","- C368 H416 Cl96 O96 Ti64 -","8","2","","Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands","Inorganic Chemistry","2005","44","8","2710","2718","10.1021/ic048483l","","","0.71073","MoKα","","0.1919","0.111","","","0.1702","0.21","","","","","","1.054","","","","has coordinates","210173","2020-10-21","18:00:00",""
"4300853","18.884","0.002","10.95","0.002","12.923","0.0019","90","","115.842","0.004","90","","2405","0.6","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H42 Cu2 N4 -","- C20 H42 Cu2 N4 -","- C80 H168 Cu8 N16 -","4","0.5","","Zhengwen Li; Seán T. Barry; Roy G. Gordon","Synthesis and Characterization of Copper(I) Amidinates as Precursors for Atomic Layer Deposition (ALD) of Copper Metal","Inorganic Chemistry","2005","44","","1728","1735","10.1021/ic048492u","","x-ray","0.71073","MoKα","","0.0497","0.0302","","","0.07","0.0762","","","","","","1.046","","","","has coordinates,has disorder","179046","2020-10-21","18:00:00",""
"4300854","12.982","0.005","5.977","0.002","15.786","0.007","90","","105.098","0.006","90","","1182.6","0.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","2","","Dong, Yu-Bin; Geng, Yan; Ma, Jian-Ping; Huang, Ru-Qi","Organometallic Silver(I) Supramolecular Complexes Generated from Multidentate Furan-Containing Symmetric and Unsymmetric Fulvene Ligands and Silver(I) Salts","Inorganic Chemistry","2005","44","6","1693","1703","10.1021/ic048518h","","","0.71073","MoKα","","0.1214","0.0789","","","0.129","0.1457","","","","","","0.855","","","","has coordinates","210279","2020-10-21","18:00:00",""
"4300855","12.702","0.003","26.118","0.007","13.998","0.004","90","","96.063","0.004","90","","4618","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H30 Ag2 F6 N6 O12 S2 -","- C47 H30 Ag2 F6 N6 O12 S2 -","- C188 H120 Ag8 F24 N24 O48 S8 -","4","1","","Dong, Yu-Bin; Geng, Yan; Ma, Jian-Ping; Huang, Ru-Qi","Organometallic Silver(I) Supramolecular Complexes Generated from Multidentate Furan-Containing Symmetric and Unsymmetric Fulvene Ligands and Silver(I) Salts","Inorganic Chemistry","2005","44","6","1693","1703","10.1021/ic048518h","","","0.71073","MoKα","","0.0877","0.0627","","","0.1475","0.1623","","","","","","1.051","","","","has coordinates","210279","2020-10-21","18:00:00",""
"4300856","17.363","0.002","13.2794","0.0018","13.4884","0.0018","90","","100.292","0.002","90","","3060","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Ag Cl N2 O6 -","- C15 H10 Ag Cl N2 O6 -","- C120 H80 Ag8 Cl8 N16 O48 -","8","1","","Dong, Yu-Bin; Geng, Yan; Ma, Jian-Ping; Huang, Ru-Qi","Organometallic Silver(I) Supramolecular Complexes Generated from Multidentate Furan-Containing Symmetric and Unsymmetric Fulvene Ligands and Silver(I) Salts","Inorganic Chemistry","2005","44","6","1693","1703","10.1021/ic048518h","","","","","","","","","","","","","","","","","","","","","has coordinates","210279","2020-10-21","18:00:00",""
"4300858","6.8839","0.0011","20.242","0.003","18.934","0.003","90","","91.994","0.003","90","","2636.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Ag F6 N2 O3 Sb -","- C24 H21 Ag F6 N2 O3 Sb -","- C96 H84 Ag4 F24 N8 O12 Sb4 -","4","1","","Dong, Yu-Bin; Geng, Yan; Ma, Jian-Ping; Huang, Ru-Qi","Organometallic Silver(I) Supramolecular Complexes Generated from Multidentate Furan-Containing Symmetric and Unsymmetric Fulvene Ligands and Silver(I) Salts","Inorganic Chemistry","2005","44","6","1693","1703","10.1021/ic048518h","","","0.71073","MoKα","","0.124","0.0784","","","0.1688","0.1917","","","","","","1.084","","","","has coordinates,has disorder","210279","2020-10-21","18:00:00",""
"4300859","8.629","0.003","10.915","0.003","11.178","0.003","100.978","0.004","102.133","0.004","105.652","0.004","956.4","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H11 Ag F3 N3 O4 S -","- C19 H11 Ag F3 N3 O4 S -","- C38 H22 Ag2 F6 N6 O8 S2 -","2","1","","Dong, Yu-Bin; Geng, Yan; Ma, Jian-Ping; Huang, Ru-Qi","Organometallic Silver(I) Supramolecular Complexes Generated from Multidentate Furan-Containing Symmetric and Unsymmetric Fulvene Ligands and Silver(I) Salts","Inorganic Chemistry","2005","44","6","1693","1703","10.1021/ic048518h","","","0.71073","MoKα","","0.0698","0.0481","","","0.1055","0.1147","","","","","","0.935","","","","has coordinates","210279","2020-10-21","18:00:00",""
"4300860","8.914","0.005","10.809","0.006","11.283","0.006","69.255","0.008","87.163","0.009","84.993","0.008","1012.6","1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H13 Ag F3 N3 O5 S -","- C19 H13 Ag F3 N3 O5 S -","- C38 H26 Ag2 F6 N6 O10 S2 -","2","1","","Dong, Yu-Bin; Geng, Yan; Ma, Jian-Ping; Huang, Ru-Qi","Organometallic Silver(I) Supramolecular Complexes Generated from Multidentate Furan-Containing Symmetric and Unsymmetric Fulvene Ligands and Silver(I) Salts","Inorganic Chemistry","2005","44","6","1693","1703","10.1021/ic048518h","","","0.71073","MoKα","","0.1332","0.0546","","","0.0681","0.0828","","","","","","0.753","","","","has coordinates","210279","2020-10-21","18:00:00",""
"4300863","36.523","0.006","8.2197","0.0011","10.1723","0.0016","90","","90","","90","","3053.8","0.8","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H36 Cl N3 O10.5 Re -","- C26 H36 Cl N3 O10.5 Re -","- C104 H144 Cl4 N12 O42 Re4 -","4","1","","Storr, Tim; Sugai, Yuko; Barta, Cheri A.; Mikata, Yuji; Adam, Michael J.; Yano, Shigenobu; Orvig, Chris","Carbohydrate-Appended 2,2'-Dipicolylamine Metal Complexes as Potential Imaging Agents","Inorganic Chemistry","2005","44","8","2698","2705","10.1021/ic048528i","","","0.71073","MoKα","","0.0261","0.0219","","","0.0494","0.0508","","","","","","1.038","","","","has coordinates","210174","2020-10-21","18:00:00",""
"4300864","7.79","0.004","10.009","0.005","10.109","0.005","100.53","0.007","104.778","0.008","92.76","0.008","745.6","0.7","295","2","295","2","","","","","","","","6","P -1","-P 1","2","Se-Se-N gallate","3H-naphtho[1,2-d][1,2,3]diselenazolylium tetrachlorogallate","","- C10 H6 Cl4 Ga N Se2 -","- C10 H6 Cl4 Ga N Se2 -","- C20 H12 Cl8 Ga2 N2 Se4 -","2","1","","Richard T. Oakley; Robert W. Reed; Craig M. Robertson; John F. Richardson","Naphthalene-1,2,3-Dithiazolyl and Its Selenium-Containing Variants","Inorganic Chemistry","2005","44","","1837","1845","10.1021/ic048534e","","","0.71073","MoKα","","0.0742","0.0444","","","0.1002","0.1117","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4300865","17.841","0.007","8.702","0.003","11.669","0.004","90","","104.286","0.006","90","","1755.6","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2-NDTA","3H-naphtho[1,2-d][1,2,3]dithiazolyl","","- C10 H6 N S2 -","- C10 H6 N S2 -","- C80 H48 N8 S16 -","8","2","","Richard T. Oakley; Robert W. Reed; Craig M. Robertson; John F. Richardson","Naphthalene-1,2,3-Dithiazolyl and Its Selenium-Containing Variants","Inorganic Chemistry","2005","44","","1837","1845","10.1021/ic048534e","","","0.71073","MoKα","","0.1134","0.0434","","","0.0934","0.1154","","","","","","0.978","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300866","16.531","0.0002","13.006","0.0002","18.077","0.0002","90","","112.491","0.0008","90","","3590.98","0.08","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 B F15 N3 O Te2 -","- C30 H27 B F15 N3 O Te2 -","- C120 H108 B4 F60 N12 O4 Te8 -","4","1","","Gabriele Schatte; Tristram Chivers; Heikki M. Tuononen; Reijo Suontamo; Risto Laitinen; Jussi Valkonen","Experimental and Theoretical Investigations of Tellurium(IV) Diimides and Imidotelluroxanes: X-ray Structures of B(C6F5)3 Adducts of OTe(μ-NtBu)2TeNtBu, [OTe(μ-NtBu)2Te(μ-O)]2 and tBuNH2","Inorganic Chemistry","2005","44","","443","451","10.1021/ic048565+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179046","2020-10-21","18:00:00",""
"4300867","15.052","0.0003","15.613","0.0003","15.523","0.0004","90","","105.528","0.001","90","","3514.86","0.13","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H52 B2 F30 N4 O6 Te4 -","- C60 H52 B2 F30 N4 O6 Te4 -","- C120 H104 B4 F60 N8 O12 Te8 -","2","0.5","","Gabriele Schatte; Tristram Chivers; Heikki M. Tuononen; Reijo Suontamo; Risto Laitinen; Jussi Valkonen","Experimental and Theoretical Investigations of Tellurium(IV) Diimides and Imidotelluroxanes: X-ray Structures of B(C6F5)3 Adducts of OTe(μ-NtBu)2TeNtBu, [OTe(μ-NtBu)2Te(μ-O)]2 and tBuNH2","Inorganic Chemistry","2005","44","","443","451","10.1021/ic048565+","","","","","","","","","","","","","","","","","","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300868","10.6217","0.0002","10.6283","0.0002","10.8588","0.0002","83.6308","0.0008","88.2839","0.0008","76.1307","0.0009","1182.76","0.04","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H24 B2 Cl2 F30 N2 -","- C45 H24 B2 Cl2 F30 N2 -","- C45 H24 B2 Cl2 F30 N2 -","1","1","","Gabriele Schatte; Tristram Chivers; Heikki M. Tuononen; Reijo Suontamo; Risto Laitinen; Jussi Valkonen","Experimental and Theoretical Investigations of Tellurium(IV) Diimides and Imidotelluroxanes: X-ray Structures of B(C6F5)3 Adducts of OTe(μ-NtBu)2TeNtBu, [OTe(μ-NtBu)2Te(μ-O)]2 and tBuNH2","Inorganic Chemistry","2005","44","","443","451","10.1021/ic048565+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300869","21.08","0.002","7.2369","0.0009","9.922","0.0011","90","","91.695","0.009","90","","1513","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C60 H68 N20 O4 -","4","1","","Costes, Jean-Pierre; Lamére, Jean-François; Lepetit, Christine; Lacroix, Pascal G.; Dahan, Françoise; Nakatani, Keitaro","Synthesis, Crystal Structures, and Nonlinear Optical (NLO) Properties of New Schiff-Base Nickel(II) Complexes. Toward a New Type of Molecular Switch?","Inorganic Chemistry","2005","44","6","1973","1982","10.1021/ic048578n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210149","2020-10-21","18:00:00",""
"4300870","13.9124","0.0013","25.076","0.002","6.444","0.0009","90","","90","","90","","2248.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Ni(L)(MePhCHNH2)]","","","- C23 H26 N6 Ni O -","- C23 H26 N6 Ni O -","- C92 H104 N24 Ni4 O4 -","4","1","","Costes, Jean-Pierre; Lamére, Jean-François; Lepetit, Christine; Lacroix, Pascal G.; Dahan, Françoise; Nakatani, Keitaro","Synthesis, Crystal Structures, and Nonlinear Optical (NLO) Properties of New Schiff-Base Nickel(II) Complexes. Toward a New Type of Molecular Switch?","Inorganic Chemistry","2005","44","6","1973","1982","10.1021/ic048578n","","","","","","","","","","","","","","","","","","","","","has coordinates","210149","2020-10-21","18:00:00",""
"4300871","10.5988","0.0011","14.1297","0.0012","13.02","0.0014","90","","100.79","0.013","90","","1915.4","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ni(L)(iPrNH2)]","","","- C18 H24 N6 Ni O -","- C18 H24 N6 Ni O -","- C72 H96 N24 Ni4 O4 -","4","1","","Costes, Jean-Pierre; Lamére, Jean-François; Lepetit, Christine; Lacroix, Pascal G.; Dahan, Françoise; Nakatani, Keitaro","Synthesis, Crystal Structures, and Nonlinear Optical (NLO) Properties of New Schiff-Base Nickel(II) Complexes. Toward a New Type of Molecular Switch?","Inorganic Chemistry","2005","44","6","1973","1982","10.1021/ic048578n","","","","","","","","","","","","","","","","","","","","","has coordinates","210149","2020-10-21","18:00:00",""
"4300877","14.629","0.002","9.356","0.001","14.465","0.002","90","","91.12","0.02","90","","1979.4","0.4","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C24 H20 N2 O Ru0.5 S -","- C24 H15 N2 O Ru0.5 S -","- C96 H60 N8 O4 Ru2 S4 -","4","0.5","","Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini","Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins","Inorganic Chemistry","2005","44","","2039","2049","10.1021/ic048587w","","","0.71069","MoKα","","0.0359","0.0356","","","0.0936","0.0938","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300878","13.558","0.0015","13.558","0.0015","9.6846","0.0011","90","","90","","90","","1780.2","0.3","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C45 H30 N4 O2 Ru -","- C45 H28 N4 O2 Ru -","- C90 H56 N8 O4 Ru2 -","2","0.125","","Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini","Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins","Inorganic Chemistry","2005","44","","2039","2049","10.1021/ic048587w","","","0.71073","MoKα","","0.0404","0.0364","","","0.0942","0.0958","","","","","","1.158","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300879","12.7762","0.001","13.0956","0.001","13.8554","0.001","75.634","0.003","63.234","0.003","89.519","0.003","1990.7","0.3","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C40.5 H61 Al Cl N2 O3.5 -","- C40.5 H61 Al Cl N2 O3.5 -","- C81 H122 Al2 Cl2 N4 O7 -","2","2","","Chen, Peter; Chisholm, Malcolm H.; Gallucci, Judith C.; Zhang, Xiangyang; Zhou, Zhiping","Binding of Propylene Oxide to Porphyrin- and Salen‒M(III) Cations, Where M = Al, Ga, Cr, and Co","Inorganic Chemistry","2005","44","8","2588","2595","10.1021/ic048597x","","","0.71073","MoKα","","0.0768","0.0572","","","0.1451","0.1569","","","","","","1.029","","","","has coordinates,has disorder","210175","2020-10-21","18:00:00",""
"4300880","12.554","0.001","12.887","0.001","14.614","0.001","80.61","0.003","85.652","0.003","67.263","0.004","2151.1","0.3","200","2","200","2","","","","","","","synthesis as described","5","P 1","P 1","1","Chisholm1269","","","- C45.5 H62.5 Al N3.5 O4 -","- C46 H60 Al N3 O4 -","- C92 H120 Al2 N6 O8 -","2","2","","Chen, Peter; Chisholm, Malcolm H.; Gallucci, Judith C.; Zhang, Xiangyang; Zhou, Zhiping","Binding of Propylene Oxide to Porphyrin- and Salen‒M(III) Cations, Where M = Al, Ga, Cr, and Co","Inorganic Chemistry","2005","44","8","2588","2595","10.1021/ic048597x","","x-ray","0.71073","MoKα","","0.0671","0.0526","","","0.1324","0.142","","","","","","1.041","","","","has coordinates,has disorder","210175","2020-10-21","18:00:00",""
"4300881","17.6248","0.0014","13.699","0.0011","23.8155","0.0019","90","","104.034","0.002","90","","5578.4","0.8","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H54 B Ir N3 O P2 -","- C62 H54 B Ir N2 O P2 -","- C248 H216 B4 Ir4 N8 O4 P8 -","4","1","","Jian Li; Peter I. Djurovich; Bert D. Alleyne; Muhammed Yousufuddin; Nam N. Ho; J. Christopher Thomas; Jonas C. Peters; Robert Bau; Mark E. Thompson","Synthetic Control of Excited-State Properties in Cyclometalated Ir(III) Complexes Using Ancillary Ligands","Inorganic Chemistry","2005","44","","1713","1727","10.1021/ic048599h","","","0.71073","MoKα","","0.0882","0.0652","","","0.2113","0.2234","","","","","","0.943","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300882","13.262","0.003","13.655","0.003","22.981","0.005","81.376","0.004","89.894","0.004","89.963","0.003","4114.6","1.6","143","2","143","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H78 Cl6 F6 Ir2 N8 O6 S2 -","- C72 H78 Cl6 F6 Ir2 N8 O6 S2 -","- C144 H156 Cl12 F12 Ir4 N16 O12 S4 -","2","1","","Jian Li; Peter I. Djurovich; Bert D. Alleyne; Muhammed Yousufuddin; Nam N. Ho; J. Christopher Thomas; Jonas C. Peters; Robert Bau; Mark E. Thompson","Synthetic Control of Excited-State Properties in Cyclometalated Ir(III) Complexes Using Ancillary Ligands","Inorganic Chemistry","2005","44","","1713","1727","10.1021/ic048599h","","","0.71073","MoKα","","0.0649","0.0473","","","0.117","0.1262","","","","","","1.049","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300883","23.185","0.009","9.202","0.001","9.706","0.004","90","","89.94","0.05","90","","2070.8","1.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","bis (cobalt(II) phenyl(carboxymethyl)phosphinate aqua), aqua","","- C16 H20 Co2 O11 P2 -","- C16 H14 Co2 O11 P2 -","- C64 H56 Co8 O44 P8 -","4","1","","Stefano Midollini; Annabella Orlandini; Patrick Rosa; Lorenzo Sorace","Structure and Magnetism of a New Hydrogen-Bonded Layered Cobalt(II) Network, Constructed by the Unprecedented Carboxylate-Phosphinate Ligand [O2(C6H5)PCH2CO2]2-","Inorganic Chemistry","2005","44","","2060","2066","10.1021/ic048602x","","x-ray","1.5418","CuKα","","0.0607","0.0521","","","0.1077","0.1126","","","","","","0.944","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300884","10.2529","0.0003","10.7791","0.0003","10.7867","0.0003","83.886","0.001","87.565","0.001","84.901","0.001","1179.99","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","bipyridine-(1,4,7-trithiacyclononane)platinum(II) bis(hexafluorophosphate)","","- C16 H20 F12 N2 P2 Pt S3 -","- C16 H20 F12 N2 P2 Pt S3 -","- C32 H40 F24 N4 P4 Pt2 S6 -","2","1","","Tyler W. Green; Rachel Lieberman; Neal Mitchell; Jeanette A. Krause Bauer; William B. Connick","Intramolecular Metal...Sulfur Interactions of Platinum(II) 1,4,7-Trithiacyclononane Complexes with Bipyridyl Ligands: The Relationship between Molecular and Electronic Structures","Inorganic Chemistry","2005","44","","1955","1965","10.1021/ic048610d","","","0.71073","MoKα","","0.0181","0.0174","","","0.0444","0.0447","","","","","","1.09","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300885","10.1895","0.0003","11.8566","0.0004","13.1004","0.0004","77.345","0.001","79.967","0.001","72.341","0.001","1461.56","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","4,4'-dimethylbipyridine-(1,4,7-trithiacyclononane)platinum(II) bis(hexafluorophosphate) hydrate acetonitrile solvate","","- C20 H29 F12 N3 O P2 Pt S3 -","- C20 H29 F12 N3 O P2 Pt S3 -","- C40 H58 F24 N6 O2 P4 Pt2 S6 -","2","1","","Tyler W. Green; Rachel Lieberman; Neal Mitchell; Jeanette A. Krause Bauer; William B. Connick","Intramolecular Metal...Sulfur Interactions of Platinum(II) 1,4,7-Trithiacyclononane Complexes with Bipyridyl Ligands: The Relationship between Molecular and Electronic Structures","Inorganic Chemistry","2005","44","","1955","1965","10.1021/ic048610d","","","0.71073","MoKα","","0.0269","0.0249","","","0.0638","0.065","","","","","","1.049","","","","has coordinates,has disorder","179046","2020-10-21","18:00:00",""
"4300886","10.6397","0.0004","10.8449","0.0004","11.2621","0.0004","90.035","0.001","98.061","0.001","91.283","0.001","1286.32","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","5,5'-dimethylbipyridine-(1,4,7-trithiacyclononane)platinum(II) bis(hexafluorophosphate)","","- C18 H24 F12 N2 P2 Pt S3 -","- C18 H24 F12 N2 P2 Pt S3 -","- C36 H48 F24 N4 P4 Pt2 S6 -","2","1","","Tyler W. Green; Rachel Lieberman; Neal Mitchell; Jeanette A. Krause Bauer; William B. Connick","Intramolecular Metal...Sulfur Interactions of Platinum(II) 1,4,7-Trithiacyclononane Complexes with Bipyridyl Ligands: The Relationship between Molecular and Electronic Structures","Inorganic Chemistry","2005","44","","1955","1965","10.1021/ic048610d","","","0.71073","MoKα","","0.0202","0.019","","","0.0472","0.0479","","","","","","1.018","","","","has coordinates,has disorder","179046","2020-10-21","18:00:00",""
"4300887","11.5422","0.0007","11.61","0.0007","13.6052","0.0009","85.902","0.001","89.675","0.001","74.942","0.001","1755.9","0.19","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","4,4'-di-tert-butylbipyridine-(1,4,7-trithiacyclononane)platinum(II) bis(hexafluorophosphate) nitromethane solvate","","- C25 H39 F12 N3 O2 P2 Pt S3 -","- C25 H39 F12 N3 O2 P2 Pt S3 -","- C50 H78 F24 N6 O4 P4 Pt2 S6 -","2","1","","Tyler W. Green; Rachel Lieberman; Neal Mitchell; Jeanette A. Krause Bauer; William B. Connick","Intramolecular Metal...Sulfur Interactions of Platinum(II) 1,4,7-Trithiacyclononane Complexes with Bipyridyl Ligands: The Relationship between Molecular and Electronic Structures","Inorganic Chemistry","2005","44","","1955","1965","10.1021/ic048610d","","","0.71073","MoKα","","0.0383","0.0306","","","0.0621","0.064","","","","","","1.058","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300888","13.1187","0.0009","20.9031","0.0015","11.3815","0.0008","90","","105.789","0.002","90","","3003.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5,5'-di-trifluromethanebipyridine-(1,4,7-trithiacyclononane)platinum(II) bis(hexafluorophosphate) acetonitrile solvate","","- C20 H21 F18 N3 P2 Pt S3 -","- C20 H21 F18 N3 P2 Pt S3 -","- C80 H84 F72 N12 P8 Pt4 S12 -","4","1","","Tyler W. Green; Rachel Lieberman; Neal Mitchell; Jeanette A. Krause Bauer; William B. Connick","Intramolecular Metal...Sulfur Interactions of Platinum(II) 1,4,7-Trithiacyclononane Complexes with Bipyridyl Ligands: The Relationship between Molecular and Electronic Structures","Inorganic Chemistry","2005","44","","1955","1965","10.1021/ic048610d","","","0.71073","MoKα","","0.0609","0.0358","","","0.0767","0.0882","","","","","","1.042","","","","has coordinates,has disorder","179046","2020-10-21","18:00:00",""
"4300889","13.0533","0.0013","13.1714","0.0014","23.742","0.002","90","","104.818","0.002","90","","3946.2","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4,4'-di-tert-butylbipyridine-(1,4,7-trithiacyclononane)platinum(II) bis(hexafluorophosphate) acetonitrile benzene solvate","","- C31 H45 F12 N4 P2 Pt S3 -","- C31 H45 F12 N4 P2 Pt S3 -","- C124 H180 F48 N16 P8 Pt4 S12 -","4","1","","Tyler W. Green; Rachel Lieberman; Neal Mitchell; Jeanette A. Krause Bauer; William B. Connick","Intramolecular Metal...Sulfur Interactions of Platinum(II) 1,4,7-Trithiacyclononane Complexes with Bipyridyl Ligands: The Relationship between Molecular and Electronic Structures","Inorganic Chemistry","2005","44","","1955","1965","10.1021/ic048610d","","","0.71073","MoKα","","0.1524","0.0569","","","0.1135","0.1493","","","","","","0.964","","","","has coordinates,has disorder","179046","2020-10-21","18:00:00",""
"4300890","28.7135","0.0006","28.7135","0.0006","28.7135","0.0006","90","","90","","90","","23673.3","0.9","153","2","153","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","MOF-501","","","- C16 H6 Co2 O13 -","- C16 H6 Co2 O13 -","- C384 H144 Co48 O312 -","24","0.125","","Chen, Banglin; Ockwig, Nathan W.; Fronczek, Frank R.; Contreras, Damacio S.; Yaghi, Omar M.","Transformation of a Metal‒Organic Framework from the NbO to PtS Net","Inorganic Chemistry","2005","44","2","181","183","10.1021/ic048612y","","","0.71073","MoKα","","0.1522","0.1398","","","0.3511","0.3602","","","","","","1.248","","","","has coordinates","210158","2020-10-21","18:00:00",""
"4300891","14.279","0.003","13.006","0.002","17.515","0.003","90","","96.872","0.004","90","","3229.5","1","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MOF-502","","","- C25 H29 Co2 N3 O13 -","- C25 H29 Co2 N3 O13 -","- C100 H116 Co8 N12 O52 -","4","1","","Chen, Banglin; Ockwig, Nathan W.; Fronczek, Frank R.; Contreras, Damacio S.; Yaghi, Omar M.","Transformation of a Metal‒Organic Framework from the NbO to PtS Net","Inorganic Chemistry","2005","44","2","181","183","10.1021/ic048612y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210158","2020-10-21","18:00:00",""
"4300895","34.5132","0.0009","8.4159","0.0002","20.7128","0.0005","90","","95.09","0.001","90","","5992.5","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N6 O4 S2 Zn2 -","- C42.6667 H44 N6.66667 O2.66667 S1.33333 Zn1.33333 -","- C256 H264 N40 O16 S8 Zn8 -","6","1.5","","Jennifer N. Smith; Justin T. Hoffman; Zahida Shirin; Carl J. Carrano","H-Bonding Interactions and Control of Thiolate Nucleophilicity and Specificity in Model Complexes of Zinc Metalloproteins","Inorganic Chemistry","2005","44","","2012","2017","10.1021/ic048630f","","","0.71073","MoKα","","0.0637","0.0387","","","0.0982","0.1136","","","","","","0.995","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300896","13.793","0.003","15.131","0.005","17.356","0.009","90.7","0.03","93.38","0.03","114.84","0.02","3279","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H34 F3 N5 O2 S Zn -","- C30 H34 F3 N5 O2 S Zn -","- C120 H136 F12 N20 O8 S4 Zn4 -","4","2","","Jennifer N. Smith; Justin T. Hoffman; Zahida Shirin; Carl J. Carrano","H-Bonding Interactions and Control of Thiolate Nucleophilicity and Specificity in Model Complexes of Zinc Metalloproteins","Inorganic Chemistry","2005","44","","2012","2017","10.1021/ic048630f","","","0.71073","MoKα","","0.1599","0.0692","","0.2163","0.1518","","","","1.028","1.103","1.103","","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300897","11.012","0.001","13.19","0.002","13.934","0.002","95.099","0.002","106.142","0.002","99.003","0.002","1901.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Dinitratosesqui[bis-(N,N'-4-pyridylmethyl)pyromelletic diimide]cadmium(II) chloroform solvate","","- C34 H22 Cd Cl3 N8 O12 -","- C34 H22 Cd Cl3 N8 O12 -","- C68 H44 Cd2 Cl6 N16 O24 -","2","1","","Xing-Qiang Lü; Ji-Jun Jiang; Hans-Conrad zur Loye; Bei-Sheng Kang; Cheng-Yong Su","A Noninterpenetrated 1D Molecular Ladder and 2D Butterfly Network: Effect of Positional Isomerism of Semirigid Bis(pyridylmethyl)pyromellitic Diimide Ligands on the Architecture of Their Metal(II) Complexes","Inorganic Chemistry","2005","44","","1810","1817","10.1021/ic048634k","","","0.71073","MoKα","","0.049","0.04","","","0.122","0.128","","","","","","1.13","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300898","15.403","0.0019","13.6135","0.0016","17.4","0.002","90","","103.251","0.002","90","","3551.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H27 Cd N8 O13 -","- C35 H27 Cd N8 O13 -","- C140 H108 Cd4 N32 O52 -","4","1","","Xing-Qiang Lü; Ji-Jun Jiang; Hans-Conrad zur Loye; Bei-Sheng Kang; Cheng-Yong Su","A Noninterpenetrated 1D Molecular Ladder and 2D Butterfly Network: Effect of Positional Isomerism of Semirigid Bis(pyridylmethyl)pyromellitic Diimide Ligands on the Architecture of Their Metal(II) Complexes","Inorganic Chemistry","2005","44","","1810","1817","10.1021/ic048634k","","","0.71073","MoKα","","0.0718","0.0393","","","0.0872","0.1018","","","","","","1.038","","","","has coordinates,has disorder","179046","2020-10-21","18:00:00",""
"4300899","15.361","0.004","13.388","0.004","17.105","0.005","90","","103.427","0.005","90","","3421.5","1.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H26 N8 O13 Zn -","- C34 H21 N8 O13 Zn -","- C136 H84 N32 O52 Zn4 -","4","1","","Xing-Qiang Lü; Ji-Jun Jiang; Hans-Conrad zur Loye; Bei-Sheng Kang; Cheng-Yong Su","A Noninterpenetrated 1D Molecular Ladder and 2D Butterfly Network: Effect of Positional Isomerism of Semirigid Bis(pyridylmethyl)pyromellitic Diimide Ligands on the Architecture of Their Metal(II) Complexes","Inorganic Chemistry","2005","44","","1810","1817","10.1021/ic048634k","","","0.71073","MoKα","","0.0722","0.0409","","","0.0996","0.1182","","","","","","1.007","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300900","5.6054","0.0003","5.9445","0.0003","8.0285","0.0004","90","","90.587","0.002","90","","267.51","0.02","294","1","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- La2 Na O6 Os -","- La2 Na O6 Os -","- La4 Na2 O12 Os2 -","2","0.5","","Gemmill, William R.; Smith, Mark D.; Prozorov, Ruslan; zur Loye, Hans-Conrad","Crystal Growth and Magnetic Properties of Lanthanide-Containing Osmium Double Perovskites, Ln2NaOsO6 (Ln = La, Pr, Nd)","Inorganic Chemistry","2005","44","8","2639","2646","10.1021/ic048637x","","","0.71073","MoKα","","0.0258","0.0234","","","0.0514","0.0525","","","","","","1.146","","","","has coordinates","210176","2020-10-21","18:00:00",""
"4300901","5.5427","0.0002","5.9289","0.0002","7.9509","0.0003","90","","90.854","0.001","90","","261.254","0.016","294","1","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Na O6 Os Pr2 -","- Na O6 Os Pr2 -","- Na2 O12 Os2 Pr4 -","2","0.5","","Gemmill, William R.; Smith, Mark D.; Prozorov, Ruslan; zur Loye, Hans-Conrad","Crystal Growth and Magnetic Properties of Lanthanide-Containing Osmium Double Perovskites, Ln2NaOsO6 (Ln = La, Pr, Nd)","Inorganic Chemistry","2005","44","8","2639","2646","10.1021/ic048637x","","","0.71073","MoKα","","0.0262","0.0231","","","0.0472","0.0483","","","","","","1.143","","","","has coordinates","210176","2020-10-21","18:00:00",""
"4300902","5.5162","0.0002","5.9189","0.0002","7.9293","0.0003","90","","90.987","0.001","90","","258.852","0.016","294","1","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Na Nd2 O6 Os -","- Na Nd2 O6 Os -","- Na2 Nd4 O12 Os2 -","2","0.5","","Gemmill, William R.; Smith, Mark D.; Prozorov, Ruslan; zur Loye, Hans-Conrad","Crystal Growth and Magnetic Properties of Lanthanide-Containing Osmium Double Perovskites, Ln2NaOsO6 (Ln = La, Pr, Nd)","Inorganic Chemistry","2005","44","8","2639","2646","10.1021/ic048637x","","","0.71073","MoKα","","0.0311","0.0271","","","0.0516","0.0528","","","","","","1.11","","","","has coordinates","210176","2020-10-21","18:00:00",""
"4300908","18.408","0.004","14.517","0.003","8.979","0.0018","90","","90","","90","","2399.4","0.9","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H38 Ga I N3 Si2 -","- C16 H38 Ga I N3 Si2 -","- C64 H152 Ga4 I4 N12 Si8 -","4","0.5","","Karen L. Antcliff; Robert J. Baker; Cameron Jones; Damien M. Murphy; Richard P. Rose","Reactions of a Gallium(II)-Diazabutadiene Dimer, [{{[(H)C(But)N]2}GaI}2], with [ME(SiMe3)2] (M = Li or Na; E = N, P, or As): Structural, EPR, and ENDOR Characterization of Paramagnetic Gallium(III) Pnictide Complexes","Inorganic Chemistry","2005","44","","2098","2105","10.1021/ic0486825","","","0.71073","MoKα","","0.0343","0.0283","","","0.0584","0.0608","","","","","","1.034","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300909","15.011","0.003","18.299","0.004","9.289","0.0019","90","","92.58","0.03","90","","2549","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 Ga I N2 P Si2 -","- C16 H38 Ga I N2 P Si2 -","- C64 H152 Ga4 I4 N8 P4 Si8 -","4","1","","Karen L. Antcliff; Robert J. Baker; Cameron Jones; Damien M. Murphy; Richard P. Rose","Reactions of a Gallium(II)-Diazabutadiene Dimer, [{{[(H)C(But)N]2}GaI}2], with [ME(SiMe3)2] (M = Li or Na; E = N, P, or As): Structural, EPR, and ENDOR Characterization of Paramagnetic Gallium(III) Pnictide Complexes","Inorganic Chemistry","2005","44","","2098","2105","10.1021/ic0486825","","","0.71073","MoKα","","0.0769","0.0424","","","0.076","0.0868","","","","","","1.022","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300910","15.009","0.003","18.462","0.004","9.335","0.0019","90","","92.77","0.03","90","","2583.7","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 As Ga I N2 Si2 -","- C16 H38 As Ga I N2 Si2 -","- C64 H152 As4 Ga4 I4 N8 Si8 -","4","1","","Karen L. Antcliff; Robert J. Baker; Cameron Jones; Damien M. Murphy; Richard P. Rose","Reactions of a Gallium(II)-Diazabutadiene Dimer, [{{[(H)C(But)N]2}GaI}2], with [ME(SiMe3)2] (M = Li or Na; E = N, P, or As): Structural, EPR, and ENDOR Characterization of Paramagnetic Gallium(III) Pnictide Complexes","Inorganic Chemistry","2005","44","","2098","2105","10.1021/ic0486825","","","0.71073","MoKα","","0.1136","0.0766","","","0.186","0.2097","","","","","","1.02","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300911","31.505","0.006","9.822","0.002","16.731","0.003","90","","90.69","0.03","90","","5176.9","1.7","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C22 H56 Ga N2 P2 Si4 -","- C22 H56 Ga N2 P2 Si4 -","- C132 H336 Ga6 N12 P12 Si24 -","6","1.5","","Karen L. Antcliff; Robert J. Baker; Cameron Jones; Damien M. Murphy; Richard P. Rose","Reactions of a Gallium(II)-Diazabutadiene Dimer, [{{[(H)C(But)N]2}GaI}2], with [ME(SiMe3)2] (M = Li or Na; E = N, P, or As): Structural, EPR, and ENDOR Characterization of Paramagnetic Gallium(III) Pnictide Complexes","Inorganic Chemistry","2005","44","","2098","2105","10.1021/ic0486825","","","0.71073","MoKα","","0.102","0.0551","","","0.1203","0.1391","","","","","","1.05","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300912","65.25","0.013","9.859","0.002","16.775","0.003","90","","103.72","0.03","90","","10483","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H56 As2 Ga N2 Si4 -","- C22 H56 As2 Ga N2 Si4 -","- C264 H672 As24 Ga12 N24 Si48 -","12","1.5","","Karen L. Antcliff; Robert J. Baker; Cameron Jones; Damien M. Murphy; Richard P. Rose","Reactions of a Gallium(II)-Diazabutadiene Dimer, [{{[(H)C(But)N]2}GaI}2], with [ME(SiMe3)2] (M = Li or Na; E = N, P, or As): Structural, EPR, and ENDOR Characterization of Paramagnetic Gallium(III) Pnictide Complexes","Inorganic Chemistry","2005","44","","2098","2105","10.1021/ic0486825","","","0.71073","MoKα","","0.0776","0.0456","","","0.0886","0.1012","","","","","","1.026","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300913","25.772","0.005","15.892","0.003","11.214","0.002","90","","90","","90","","4592.9","1.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H78 Ga2 N6 Si4 -","- C33 H78 Ga2 N6 Si4 -","- C132 H312 Ga8 N24 Si16 -","4","1","","Karen L. Antcliff; Robert J. Baker; Cameron Jones; Damien M. Murphy; Richard P. Rose","Reactions of a Gallium(II)-Diazabutadiene Dimer, [{{[(H)C(But)N]2}GaI}2], with [ME(SiMe3)2] (M = Li or Na; E = N, P, or As): Structural, EPR, and ENDOR Characterization of Paramagnetic Gallium(III) Pnictide Complexes","Inorganic Chemistry","2005","44","","2098","2105","10.1021/ic0486825","","","0.71073","MoKα","","0.0706","0.0543","","","0.1186","0.1274","","","","","","1.024","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300914","40.6327","0.0003","40.6327","0.0003","17.6171","0.0002","90","","90","","90","","29086.1","0.4","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C45 H45 Mn3 N9 O10 -","- C45 H45 Mn3 N9 O10 -","- C720 H720 Mn48 N144 O160 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.147","0.1315","","","0.4173","0.4447","","","","","","2.052","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300915","40.6959","0.0006","40.6959","0.0006","17.4726","0.0003","90","","90","","90","","28937.4","0.8","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C54 H64 Mn3 N9 O10 -","- C54 H64 Mn3 N9 O10 -","- C864 H1024 Mn48 N144 O160 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.0706","0.0583","","","0.147","0.1564","","","","","","1.076","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300916","39.852","0.004","39.852","0.004","17.749","0.002","90","","90","","90","","28189","5","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C42 H40 Mn3 N9 O10 -","- C42 H40 Mn3 N9 O10 -","- C672 H640 Mn48 N144 O160 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1366","0.0507","","","0.1054","0.1208","","","","","","0.751","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300917","39.916","0.004","39.916","0.004","18.033","0.002","90","","90","","90","","28732","5","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C64 H62.67 Mn4 N12 O16 -","- C64 H62.6667 Mn4 N12 O16 -","- C768 H752 Mn48 N144 O192 -","12","0.75","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1065","0.0788","","","0.2318","0.2495","","","","","","1.033","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300918","40.2119","0.0019","40.2119","0.0019","17.7703","0.0012","90","","90","","90","","28735","3","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C42 H40 Mn3 N9 O10 -","- C42 H40 Mn3 N9 O10 -","- C672 H640 Mn48 N144 O160 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1342","0.0437","","","0.0841","0.0971","","","","","","0.691","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300919","40.709","0.009","40.709","0.009","17.468","0.007","90","","90","","90","","28948","15","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C53 H57 Mn3 N10 O11.5 -","- C52.298 H53.807 Mn3 N9.766 O11.266 -","- C836.768 H860.912 Mn48 N156.256 O180.256 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1254","0.0832","","","0.2363","0.2629","","","","","","0.991","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300920","40.376","0.013","40.376","0.013","17.567","0.008","90","","90","","90","","28638","18","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C210 H231.5 Mn12 N40 O48 -","- C196.44 H185.76 Mn12 N36 O44 -","- C785.76 H743.04 Mn48 N144 O176 -","4","0.25","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1347","0.0946","","","0.2693","0.2931","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300921","40.32","0.004","40.32","0.004","17.588","0.003","90","","90","","90","","28593","6","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H56.13 Mn3 N10 O11 -","- C47.739 H49.217 Mn3 N10 O11 -","- C763.824 H787.472 Mn48 N160 O176 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1737","0.0914","","","0.2194","0.2476","","","","","","0.94","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300922","40.6479","0.0016","40.6479","0.0016","17.5642","0.001","90","","90","","90","","29020","2","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C51 H60 Mn3 N11 O12 -","- C51 H60 Mn3 N11 O12 -","- C816 H960 Mn48 N176 O192 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1089","0.0709","","","0.2082","0.2255","","","","","","1.013","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300923","40.5408","0.0017","40.5408","0.0017","17.6055","0.001","90","","90","","90","","28936","2","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C133.33 H136 Mn8 N24 O32 -","- C133.333 H136 Mn8 N24 O32 -","- C800 H816 Mn48 N144 O192 -","6","0.375","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1334","0.0879","","","0.2599","0.2855","","","","","","0.969","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300924","40.4245","0.0015","40.4245","0.0015","17.8143","0.0009","90","","90","","90","","29111","2","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C51 H53 Mn3 N9 O12 -","- C51 H53 Mn3 N9 O12 -","- C816 H848 Mn48 N144 O192 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.11","0.0883","","","0.2545","0.271","","","","","","1.054","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300925","40.609","0.003","40.609","0.003","17.4132","0.0018","90","","90","","90","","28716","4","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H53 Mn3 N10 O11 -","- C48 H53 Mn3 N10 O11 -","- C768 H848 Mn48 N160 O176 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1984","0.0946","","","0.233","0.2736","","","","","","0.902","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300926","40.9493","0.0016","40.9493","0.0016","17.2151","0.001","90","","90","","90","","28867","2","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C45 H46 Mn3 N9 O10 -","- C45 H46 Mn3 N9 O10 -","- C720 H736 Mn48 N144 O160 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1593","0.0612","","","0.1373","0.1573","","","","","","0.728","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300927","40.906","0.005","40.906","0.005","17.295","0.003","90","","90","","90","","28940","7","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C61 H75 Mn3 N10 O12 -","- C61 H75 Mn3 N10 O12 -","- C976 H1200 Mn48 N160 O192 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1407","0.0881","","","0.2314","0.2622","","","","","","1.045","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300928","40.9064","0.0018","40.9064","0.0018","17.4574","0.0011","90","","90","","90","","29212","3","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C58.5 H69 Mn3 N9 O11 -","- C58.5 H69 Mn3 N9 O11 -","- C936 H1104 Mn48 N144 O176 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1054","0.0551","","","0.139","0.1534","","","","","","0.897","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300929","40.852","0.002","40.852","0.002","17.4393","0.0012","90","","90","","90","","29104","3","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C57 H71 Mn3 N10 O11 -","- C57 H71 Mn3 N10 O11 -","- C912 H1136 Mn48 N160 O176 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.17","0.068","","","0.1471","0.1722","","","","","","0.843","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300930","40.792","0.006","40.792","0.006","17.442","0.004","90","","90","","90","","29023","9","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C57 H71 Mn3 N10 O11 -","- C57 H71 Mn3 N10 O11 -","- C912 H1136 Mn48 N160 O176 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1786","0.068","","","0.1414","0.1684","","","","","","0.818","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300931","40.688","0.005","40.688","0.005","17.204","0.003","90","","90","","90","","28481","7","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C57 H70.13 Mn3 N10 O11 -","- C56.805 H70.545 Mn3 N9.935 O10.935 -","- C908.88 H1128.72 Mn48 N158.96 O174.96 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1612","0.1001","","","0.265","0.3045","","","","","","1.015","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300932","40.669","0.005","40.669","0.005","17.351","0.003","90","","90","","90","","28698","7","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H170.67 Mn8 N24 O26.67 -","- C144 H170.667 Mn8 N24 O26.6667 -","- C864 H1024 Mn48 N144 O160 -","6","0.375","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1553","0.0651","","","0.1314","0.1546","","","","","","0.831","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300933","40.873","0.002","40.873","0.002","17.4993","0.0013","90","","90","","90","","29234","3","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C54 H64 Mn3 N9 O10 -","- C54 H64 Mn3 N9 O10 -","- C864 H1024 Mn48 N144 O160 -","16","1","","Dohyun Moon; Myoung Soo Lah","Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units","Inorganic Chemistry","2005","44","","1934","1940","10.1021/ic0486872","","","0.71073","MoKα","","0.1402","0.0605","","","0.1245","0.1413","","","","","","0.839","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300934","8.4962","0.0007","12.8539","0.0008","17.959","0.001","85.036","0.003","83.127","0.003","81.564","0.003","1921.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Ga O6 S3 -","- C18 H15 Ga O6 S3 -","- C72 H60 Ga4 O24 S12 -","4","2","","Monga, Vishakha; Patrick, Brian O.; Orvig, Chris","Group 13 and Lanthanide Complexes with Mixed O,S Anionic Ligands Derived from Maltol","Inorganic Chemistry","2005","44","8","2666","2677","10.1021/ic048693y","","","0.71073","MoKα","","0.0533","0.0382","","","0.0911","0.0974","","","","","","1.111","","","","has coordinates","210177","2020-10-21","18:00:00",""
"4300935","14.921","0.001","11.7657","0.0008","9.875","0.001","90","","112.854","0.004","90","","1597.5","0.2","173.2","","173.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N2 O4 S2 -","- C14 H20 N2 O4 S2 -","- C56 H80 N8 O16 S8 -","4","0.5","","Monga, Vishakha; Patrick, Brian O.; Orvig, Chris","Group 13 and Lanthanide Complexes with Mixed O,S Anionic Ligands Derived from Maltol","Inorganic Chemistry","2005","44","8","2666","2677","10.1021/ic048693y","","","0.7107","MoKα","","0.0527","0.03","","0.0944","","0.0944","","","1.013","","","1.013","","","","has coordinates","210177","2020-10-21","18:00:00",""
"4300936","7.2552","0.0008","16.096","0.002","12.8722","0.0018","90","","101.913","0.005","90","","1470.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O2 S -","- C7 H8 O2 S -","- C56 H64 O16 S8 -","8","2","","Monga, Vishakha; Patrick, Brian O.; Orvig, Chris","Group 13 and Lanthanide Complexes with Mixed O,S Anionic Ligands Derived from Maltol","Inorganic Chemistry","2005","44","8","2666","2677","10.1021/ic048693y","","","0.71073","MoKα","","0.0557","0.0348","","","0.086","0.1045","","","","","","1.116","","","","has coordinates","210177","2020-10-21","18:00:00",""
"4300937","5.3762","0.0007","8.7559","0.0009","13.602","0.002","90","","99.755","0.004","90","","631.04","0.14","188.2","","188.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 O2 S -","- C6 H6 O2 S -","- C24 H24 O8 S4 -","4","1","","Monga, Vishakha; Patrick, Brian O.; Orvig, Chris","Group 13 and Lanthanide Complexes with Mixed O,S Anionic Ligands Derived from Maltol","Inorganic Chemistry","2005","44","8","2666","2677","10.1021/ic048693y","","","0.7107","MoKα","","0.0449","0.026","","0.067","","0.067","","","1.166","","","1.166","","","","has coordinates","210177","2020-10-21","18:00:00",""
"4300942","8.655","0.0005","9.9366","0.0006","11.717","0.0006","74.71","0.001","69.795","0.001","85.959","0.001","911.96","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 O12 Pr -","- C12 H25 O12 Pr -","- C24 H50 O24 Pr2 -","2","1","","de Lill, Daniel T.; Gunning, Noel S.; Cahill, Christopher L.","Toward Templated Metal-Organic Frameworks: Synthesis, Structures, Thermal Properties, and Luminescence of Three Novel Lanthanide-Adipate Frameworks","Inorganic Chemistry","2005","","","","","10.1021/ic048755k","","","","","","","","","","","","","","","","","","","","","has coordinates","192138","2020-10-21","18:00:00",""
"4300943","8.6786","0.0001","10.3831","0.0001","13.6693","0.0002","101.355","0.0007","106.12","0.0007","93.9593","0.0005","1150.11","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H29.12 O14.6 Pr2 -","- C18 H26 O14.6 Pr2 -","- C36 H52 O29.2 Pr4 -","2","1","","de Lill, Daniel T.; Gunning, Noel S.; Cahill, Christopher L.","Toward Templated Metal-Organic Frameworks: Synthesis, Structures, Thermal Properties, and Luminescence of Three Novel Lanthanide-Adipate Frameworks","Inorganic Chemistry","2005","","","","","10.1021/ic048755k","","","","","","","","","","","","","","","","","","","","","has coordinates","192138","2020-10-21","18:00:00",""
"4300944","21.9415","0.001","7.7878","0.0003","19.6649","0.0009","90","","90","","90","","3360.3","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H18 N O7 Pr -","- C14 H12 N O7 Pr -","- C112 H96 N8 O56 Pr8 -","8","1","","de Lill, Daniel T.; Gunning, Noel S.; Cahill, Christopher L.","Toward Templated Metal-Organic Frameworks: Synthesis, Structures, Thermal Properties, and Luminescence of Three Novel Lanthanide-Adipate Frameworks","Inorganic Chemistry","2005","","","","","10.1021/ic048755k","","","","","","","","","","","","","","","","","","","","","has coordinates","192138","2020-10-21","18:00:00",""
"4300946","12.981","0.004","20.006","0.013","16.681","0.005","90","","108.29","0.03","90","","4113","3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 N3 Nd O12 P3 -","- C39 H36 N3 Nd O12 P3 -","- C156 H144 N12 Nd4 O48 P12 -","4","1","","Zdenek Spichal; Marek Necas; Jiri Pinkas","From Parquets to Bricks: A Series of Lanthanide Coordination Polymers with Bis(diphenylphosphino)ethane Dioxide","Inorganic Chemistry","2005","44","","2074","2080","10.1021/ic048826f","","","0.71073","MoKα","","0.0282","0.0254","","","0.059","0.0602","","","","","","1.121","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300947","13.049","0.011","13.874","0.011","15.028","0.012","106.09","0.07","96.71","0.07","116.24","0.08","2252","4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.75 H36 Cl3 Nd O4.75 P3 -","- C40.75 H36 Cl3 Nd O4.75 P3 -","- C81.5 H72 Cl6 Nd2 O9.5 P6 -","2","1","","Zdenek Spichal; Marek Necas; Jiri Pinkas","From Parquets to Bricks: A Series of Lanthanide Coordination Polymers with Bis(diphenylphosphino)ethane Dioxide","Inorganic Chemistry","2005","44","","2074","2080","10.1021/ic048826f","","","0.71073","MoKα","","0.0317","0.0264","","","0.0737","0.0836","","","","","","1.19","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300948","12.113","0.003","16.666","0.003","21.747","0.005","99.656","0.017","96.481","0.017","107.173","0.018","4073.1","1.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.25 H36 N3 O12.25 P3 Sm -","- C39.25 H36 N3 O12.25 P3 Sm -","- C157 H144 N12 O49 P12 Sm4 -","4","2","","Zdenek Spichal; Marek Necas; Jiri Pinkas","From Parquets to Bricks: A Series of Lanthanide Coordination Polymers with Bis(diphenylphosphino)ethane Dioxide","Inorganic Chemistry","2005","44","","2074","2080","10.1021/ic048826f","","","0.71073","MoKα","","0.0434","0.0356","","","0.0853","0.0887","","","","","","1.101","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300949","12.766","0.003","13.594","0.003","14.686","0.003","105.79","0.03","96.98","0.03","115.64","0.03","2125.2","1.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.75 H36 Cl3 Gd O4.75 P3 -","- C40.75 H36 Cl3 Gd O4.75 P3 -","- C81.5 H72 Cl6 Gd2 O9.5 P6 -","2","1","","Zdenek Spichal; Marek Necas; Jiri Pinkas","From Parquets to Bricks: A Series of Lanthanide Coordination Polymers with Bis(diphenylphosphino)ethane Dioxide","Inorganic Chemistry","2005","44","","2074","2080","10.1021/ic048826f","","","0.71073","MoKα","","0.0369","0.0286","","","0.0607","0.0633","","","","","","0.981","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300950","14.284","0.012","14.768","0.012","19.818","0.011","96.74","0.06","94.47","0.06","106.69","0.07","3949","5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Dy N3 O12 P3 -","- C39 H36 Dy N3 O12 P3 -","- C156 H144 Dy4 N12 O48 P12 -","4","2","","Zdenek Spichal; Marek Necas; Jiri Pinkas","From Parquets to Bricks: A Series of Lanthanide Coordination Polymers with Bis(diphenylphosphino)ethane Dioxide","Inorganic Chemistry","2005","44","","2074","2080","10.1021/ic048826f","","","0.71073","MoKα","","0.0452","0.042","","","0.1029","0.1046","","","","","","1.136","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300951","12.781","0.005","16.527","0.006","20.306","0.006","77.35","0.03","76.72","0.03","88.1","0.03","4073","3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H36 Lu N3 O12.5 P3 -","- C39.5 H36 Lu N3 O12.5 P3 -","- C158 H144 Lu4 N12 O50 P12 -","4","2","","Zdenek Spichal; Marek Necas; Jiri Pinkas","From Parquets to Bricks: A Series of Lanthanide Coordination Polymers with Bis(diphenylphosphino)ethane Dioxide","Inorganic Chemistry","2005","44","","2074","2080","10.1021/ic048826f","","","0.71073","MoKα","","0.0777","0.0387","","","0.0554","0.0637","","","","","","0.853","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300952","12.1879","0.0013","12.5589","0.0016","23.158","0.003","77.291","0.012","88.717","0.01","68.978","0.011","3221.5","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C66.5 H61 N3 O15.5 P5 Pr -","- C66.5 H61 N3 O15.5 P5 Pr -","- C133 H122 N6 O31 P10 Pr2 -","2","1","","Zdenek Spichal; Marek Necas; Jiri Pinkas","From Parquets to Bricks: A Series of Lanthanide Coordination Polymers with Bis(diphenylphosphino)ethane Dioxide","Inorganic Chemistry","2005","44","","2074","2080","10.1021/ic048826f","","","0.71073","MoKα","","0.0777","0.0471","","","0.0835","0.0927","","","","","","0.949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300953","10.8632","0.0009","19.1127","0.0013","21.658","0.0017","103.292","0.007","101.748","0.007","91.687","0.006","4270.9","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Dy N3 O13 P3 -","- C40 H36 Dy N3 O13 P3 -","- C160 H144 Dy4 N12 O52 P12 -","4","2","","Zdenek Spichal; Marek Necas; Jiri Pinkas","From Parquets to Bricks: A Series of Lanthanide Coordination Polymers with Bis(diphenylphosphino)ethane Dioxide","Inorganic Chemistry","2005","44","","2074","2080","10.1021/ic048826f","","","0.71073","MoKα","","0.0622","0.0475","","","0.1129","0.1204","","","","","","1.073","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300954","12.0813","0.0016","15.0042","0.0019","15.599","0.002","114.896","0.014","90.231","0.011","109.244","0.012","2387.7","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Cl3 N3 O12 P3 Pr -","- C42 H36 Cl3 N3 O12 P3 Pr -","- C84 H72 Cl6 N6 O24 P6 Pr2 -","2","1","","Zdenek Spichal; Marek Necas; Jiri Pinkas","From Parquets to Bricks: A Series of Lanthanide Coordination Polymers with Bis(diphenylphosphino)ethane Dioxide","Inorganic Chemistry","2005","44","","2074","2080","10.1021/ic048826f","","","0.71073","MoKα","","0.0474","0.032","","","0.0603","0.064","","","","","","0.98","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300955","12.1134","0.0007","15.0148","0.0009","15.6454","0.0009","114.953","0.006","90.156","0.005","109.306","0.005","2401","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Cl3 N3 Nd O12 P3 -","- C42 H36 Cl3 N3 Nd O12 P3 -","- C84 H72 Cl6 N6 Nd2 O24 P6 -","2","1","","Zdenek Spichal; Marek Necas; Jiri Pinkas","From Parquets to Bricks: A Series of Lanthanide Coordination Polymers with Bis(diphenylphosphino)ethane Dioxide","Inorganic Chemistry","2005","44","","2074","2080","10.1021/ic048826f","","","0.71073","MoKα","","0.0303","0.0266","","","0.0688","0.0705","","","","","","1.041","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300961","22.333","0.018","13.574","0.016","22.32","0.02","90","","107.21","0.04","90","","6463","11","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H54 Cl2 Cr2 O2 Si2 -","- C24 H54 Cl2 Cr2 O2 Si2 -","- C192 H432 Cl16 Cr16 O16 Si16 -","8","1","","Sydora, Orson L.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Buda, Corneliu; Cundari, Thomas R.","Low-Coordinate Chromium Siloxides: The ""Box"" [Cr(μ-Cl)(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr][Na(benzene)] and [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr","Inorganic Chemistry","2005","44","8","2606","2618","10.1021/ic0488334","","","0.71073","MoKα","","0.1698","0.1227","","","0.3516","0.3903","","","","","","1.45","","","","has coordinates","210179","2020-10-21","18:00:00",""
"4300962","13.109","0.0008","17.0223","0.0013","22.169","0.0015","90","","94.57","0.004","90","","4931.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H87 Cr Na O3 Si3 -","- C42 H87 Cr Na O3 Si3 -","- C168 H348 Cr4 Na4 O12 Si12 -","4","1","","Sydora, Orson L.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Buda, Corneliu; Cundari, Thomas R.","Low-Coordinate Chromium Siloxides: The ""Box"" [Cr(μ-Cl)(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr][Na(benzene)] and [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr","Inorganic Chemistry","2005","44","8","2606","2618","10.1021/ic0488334","","","0.71073","MoKα","","0.0779","0.0558","","","0.1436","0.1578","","","","","","1.017","","","","has coordinates,has disorder","210179","2020-10-21","18:00:00",""
"4300963","29.194","0.007","17.917","0.004","30.123","0.007","90","","114.744","0.003","90","","14310","6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H115.5 Cr Na O9 Si3 -","- C66.5 H115.508 Cr Na O9 Si3 -","- C532 H924.064 Cr8 Na8 O72 Si24 -","8","2","","Sydora, Orson L.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Buda, Corneliu; Cundari, Thomas R.","Low-Coordinate Chromium Siloxides: The ""Box"" [Cr(μ-Cl)(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr][Na(benzene)] and [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr","Inorganic Chemistry","2005","44","8","2606","2618","10.1021/ic0488334","","","0.71073","MoKα","","0.1099","0.0722","","","0.195","0.2279","","","","","","0.933","","","","has coordinates,has disorder","210179","2020-10-21","18:00:00",""
"4300964","12.8518","0.0006","22.6741","0.0012","29.5161","0.0015","90","","95.465","0.001","90","","8562","0.7","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H81 Cr O3 Si3 -","- C36 H81 Cr O3 Si3 -","- C288 H648 Cr8 O24 Si24 -","8","1","","Sydora, Orson L.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Buda, Corneliu; Cundari, Thomas R.","Low-Coordinate Chromium Siloxides: The ""Box"" [Cr(μ-Cl)(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr][Na(benzene)] and [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr","Inorganic Chemistry","2005","44","8","2606","2618","10.1021/ic0488334","","","","","","","","","","","","","","","","","","","","","has coordinates","210179","2020-10-21","18:00:00",""
"4300965","14.2649","0.0004","14.2649","0.0004","11.3575","0.0005","90","","90","","90","","2311.1","0.1","","","","","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- H8 Na12 Nb14 O46 Si -","- Nb28 Ne32 O84 Si2 -","- Nb28 Ne32 O84 Si2 -","","","","Bonhomme, François; Larentzos, James P.; Alam, Todd M.; Maginn, Edward J.; Nyman, May","Synthesis, Structural Characterization, and Molecular Modeling of Dodecaniobate Keggin Chain Materials","Inorganic Chemistry","2005","44","6","1774","1785","10.1021/ic048847+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300966","14.2701","0.0005","14.2701","0.0005","11.2923","0.0007","90","","90","","90","","2299.5","0.2","","","","","","","","","","","","6","I -4 m 2","I -4 -2","119","","","","- H8 Na12 Nb12 O46 Si Ti2 -","- Nb24 Ne32 O84 Si2 Ti4 -","- Nb24 Ne32 O84 Si2 Ti4 -","","","","Bonhomme, François; Larentzos, James P.; Alam, Todd M.; Maginn, Edward J.; Nyman, May","Synthesis, Structural Characterization, and Molecular Modeling of Dodecaniobate Keggin Chain Materials","Inorganic Chemistry","2005","44","6","1774","1785","10.1021/ic048847+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300967","16.942","0.004","5.461","0.002","18.001","0.005","90","","106.246","0.004","90","","1599","0.7","288.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Co N2 O6 -","- C16 H16 Co N2 O6 -","- C64 H64 Co4 N8 O24 -","4","1","","Kurmoo, Mohamedally; Estournès, Claude; Oka, Yoshimi; Kumagai, Hitoshi; Inoue, Katsuya","Knotted Network Consisting of 3-Threads and a Zwitterionic One-Dimensional Polymorphs of trans-3-(3-Pyridyl)acrylate of Cobalt and Nickel, MII(C8H6NO2)2(H2O)2","Inorganic Chemistry","2005","44","2","217","224","10.1021/ic0488536","","","","","","","","","","","","","","","","","","","","","has coordinates","210261","2020-10-21","18:00:00",""
"4300968","7.62","0.001","9.644","0.002","11.978","0.002","66.552","0.003","81.306","0.002","84.953","0.002","797.9","0.2","273.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Co N2 O6 -","- C16 H16 Co N2 O6 -","- C32 H32 Co2 N4 O12 -","2","1","","Kurmoo, Mohamedally; Estournès, Claude; Oka, Yoshimi; Kumagai, Hitoshi; Inoue, Katsuya","Knotted Network Consisting of 3-Threads and a Zwitterionic One-Dimensional Polymorphs of trans-3-(3-Pyridyl)acrylate of Cobalt and Nickel, MII(C8H6NO2)2(H2O)2","Inorganic Chemistry","2005","44","2","217","224","10.1021/ic0488536","","","","","","","","","","","","","","","","","","","","","has coordinates","210261","2020-10-21","18:00:00",""
"4300969","16.812","0.003","5.443","0.001","17.869","0.004","90","","106.229","0.003","90","","1569.9","0.5","273.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 Ni O6 -","- C16 H17 N2 Ni O6 -","- C64 H68 N8 Ni4 O24 -","4","1","","Kurmoo, Mohamedally; Estournès, Claude; Oka, Yoshimi; Kumagai, Hitoshi; Inoue, Katsuya","Knotted Network Consisting of 3-Threads and a Zwitterionic One-Dimensional Polymorphs of trans-3-(3-Pyridyl)acrylate of Cobalt and Nickel, MII(C8H6NO2)2(H2O)2","Inorganic Chemistry","2005","44","2","217","224","10.1021/ic0488536","","","","","","","","","","","","","","","","","","","","","has coordinates","210261","2020-10-21","18:00:00",""
"4300970","7.657","0.008","9.687","0.01","12.04","0.01","66.53","0.02","81.18","0.02","84.64","0.02","809","1","273.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H48 N2 Ni O6 -","- C16 H16 N2 Ni O6 -","- C32 H32 N4 Ni2 O12 -","2","1","","Kurmoo, Mohamedally; Estournès, Claude; Oka, Yoshimi; Kumagai, Hitoshi; Inoue, Katsuya","Knotted Network Consisting of 3-Threads and a Zwitterionic One-Dimensional Polymorphs of trans-3-(3-Pyridyl)acrylate of Cobalt and Nickel, MII(C8H6NO2)2(H2O)2","Inorganic Chemistry","2005","44","2","217","224","10.1021/ic0488536","","","","","","","","","","","","","","","","","","","","","has coordinates","210261","2020-10-21","18:00:00",""
"4300974","9.4406","0.0004","11.6495","0.0005","14.6801","0.0007","101.06","0.001","95.93","0.001","95.458","0.001","1565.06","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 N2 O2 Pt -","- C42 H26 N2 O2 Pt -","- C84 H52 N4 O4 Pt2 -","2","1","","Wadas, Thaddeus J.; Chakraborty, Soma; Lachicotte, Rene J.; Wang, Quan-Ming; Eisenberg, Richard","Facile Synthesis, Structure, and Luminescence Properties of Pt(diimine)bis(arylacetylide) Chromophore‒Donor Dyads","Inorganic Chemistry","2005","44","8","2628","2638","10.1021/ic048886l","","","0.71073","MoKα","","0.0344","0.0336","","","0.0937","0.0943","","","","","","1.064","","","","has coordinates","210206","2020-10-21","18:00:00",""
"4300975","30.1689","0.0018","15.5466","0.0008","9.7179","0.0005","90","","91.356","0.002","90","","4556.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H46 N6 Pt -","- C58 H46 N6 Pt -","- C232 H184 N24 Pt4 -","4","0.5","","Wadas, Thaddeus J.; Chakraborty, Soma; Lachicotte, Rene J.; Wang, Quan-Ming; Eisenberg, Richard","Facile Synthesis, Structure, and Luminescence Properties of Pt(diimine)bis(arylacetylide) Chromophore‒Donor Dyads","Inorganic Chemistry","2005","44","8","2628","2638","10.1021/ic048886l","","","0.71073","MoKα","","0.0229","0.0208","","","0.0546","0.0554","","","","","","1.089","","","","has coordinates","210206","2020-10-21","18:00:00",""
"4300976","19.4441","0.001","16.3369","0.0009","15.2547","0.0008","90","","108.609","0.001","90","","4592.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 N4 O2 Pt -","- C56 H40 N4 O2 Pt -","- C224 H160 N16 O8 Pt4 -","4","1","","Wadas, Thaddeus J.; Chakraborty, Soma; Lachicotte, Rene J.; Wang, Quan-Ming; Eisenberg, Richard","Facile Synthesis, Structure, and Luminescence Properties of Pt(diimine)bis(arylacetylide) Chromophore‒Donor Dyads","Inorganic Chemistry","2005","44","8","2628","2638","10.1021/ic048886l","","","0.71073","MoKα","","0.0271","0.0204","","","0.0505","0.0521","","","","","","1.054","","","","has coordinates","210206","2020-10-21","18:00:00",""
"4300977","22.954","0.006","19.501","0.005","11.044","0.003","90","","118.036","0.003","90","","4363","2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","EISTH09","","","- C54 H36 N4 Pt -","- C54 H36 N4 Pt -","- C216 H144 N16 Pt4 -","4","0.5","","Wadas, Thaddeus J.; Chakraborty, Soma; Lachicotte, Rene J.; Wang, Quan-Ming; Eisenberg, Richard","Facile Synthesis, Structure, and Luminescence Properties of Pt(diimine)bis(arylacetylide) Chromophore‒Donor Dyads","Inorganic Chemistry","2005","44","8","2628","2638","10.1021/ic048886l","","","0.71073","MoKα","","0.1256","0.0515","","","0.1187","0.1366","","","","","","0.944","","","","has coordinates","210206","2020-10-21","18:00:00",""
"4300978","10.5336","0.0013","11.6625","0.0015","19.425","0.002","98.245","0.002","90.598","0.002","105.602","0.002","2271.6","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H50 N4 O Pt -","- C58 H50 N4 O Pt -","- C116 H100 N8 O2 Pt2 -","2","1","","Wadas, Thaddeus J.; Chakraborty, Soma; Lachicotte, Rene J.; Wang, Quan-Ming; Eisenberg, Richard","Facile Synthesis, Structure, and Luminescence Properties of Pt(diimine)bis(arylacetylide) Chromophore‒Donor Dyads","Inorganic Chemistry","2005","44","8","2628","2638","10.1021/ic048886l","","","0.71073","MoKα","","0.0407","0.0334","","","0.0724","0.0752","","","","","","1.052","","","","has coordinates","210206","2020-10-21","18:00:00",""
"4300997","15.303","0.003","28.546","0.006","16.856","0.003","90","","110.89","0.03","90","","6879","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[tris(acetylacetonate)(diethyl 1,10-phenantroline-4,7-dicarboxylate)europium(III)]","","- C33 H37 Eu N2 O10 -","- C33 H40 Eu N2 O10 -","- C264 H320 Eu8 N16 O80 -","8","1","","Anna Bellusci; Giovanna Barberio; Alessandra Crispini; Mauro Ghedini; Massimo La Deda; Daniela Pucci","Synthesis and Luminescent Properties of Novel Lanthanide(III) β-Diketone Complexes with Nitrogen p,p'-Disubstituted Aromatic Ligands","Inorganic Chemistry","2005","44","","1818","1825","10.1021/ic048951r","","","0.71073","MoKα","","0.1268","0.0668","","","0.133","0.1576","","","","","","0.936","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4300998","8.6406","0.0012","16.578","0.002","10.1643","0.0014","90","","96.79","0.03","90","","1445.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[tris(acetylacetonate)(4,4' dimethoxy-2,2'-bipyridine) erbium(III)]","","- C27 H36 Er N2 O8 -","- C27 H36 Er N2 O8 -","- C54 H72 Er2 N4 O16 -","2","1","","Anna Bellusci; Giovanna Barberio; Alessandra Crispini; Mauro Ghedini; Massimo La Deda; Daniela Pucci","Synthesis and Luminescent Properties of Novel Lanthanide(III) β-Diketone Complexes with Nitrogen p,p'-Disubstituted Aromatic Ligands","Inorganic Chemistry","2005","44","","1818","1825","10.1021/ic048951r","","","0.71073","MoKα","","0.0316","0.0269","","","0.0734","0.0797","","","","","","1.15","","","","has coordinates,has disorder","179047","2020-10-21","18:00:00",""
"4300999","11.9307","0.0008","24.2701","0.0015","32.747","0.002","72.186","0.002","89.427","0.002","85.613","0.002","9000.2","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C272 H400 Cl6 P12 Pt6 -","- C186 H272 Cl4 P8 Pt4 -","- C372 H544 Cl8 P16 Pt8 -","2","1","","Zhao, Xiaoming; Cardolaccia, Thomas; Farley, Richard T.; Abboud, Khalil A.; Schanze, Kirk S.","A Platinum Acetylide Polymer with Sterically Demanding Substituents: Effect of Aggregation on the Triplet Excited State","Inorganic Chemistry","2005","44","8","2619","2627","10.1021/ic048961s","","","0.71073","MoKα","","0.0794","0.058","","","0.1078","0.115","","","","","","1.152","","","","has coordinates,has disorder","210207","2020-10-21","18:00:00",""
"4301000","35.608","0.002","13.7399","0.0008","23.5629","0.0014","90","","124.806","0.002","90","","9465.6","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H138 P2 Pt -","- C102 H138 P4 Pt2 -","- C408 H552 P16 Pt8 -","4","0.5","","Zhao, Xiaoming; Cardolaccia, Thomas; Farley, Richard T.; Abboud, Khalil A.; Schanze, Kirk S.","A Platinum Acetylide Polymer with Sterically Demanding Substituents: Effect of Aggregation on the Triplet Excited State","Inorganic Chemistry","2005","44","8","2619","2627","10.1021/ic048961s","","","0.71073","MoKα","","0.0914","0.0521","","","0.1053","0.1218","","","","","","1.031","","","","has coordinates,has disorder","210207","2020-10-21","18:00:00",""
"4301001","31.208","0.007","13.545","0.004","13.043","0.004","90","","110.037","0.018","90","","5180","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Fe2 N18 Ni O5 -","- C50 H52 Fe2 N18 Ni O5 -","- C200 H208 Fe8 N72 Ni4 O20 -","4","0.5","","Zhong-Hai Ni; Hui-Zhong Kou; Yi-Hua Zhao; Lei Zheng; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","[Fe(bpb)(CN)2]- as a Versatile Building Block for the Design of Novel Low-Dimensional Heterobimetallic Systems: Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged FeIII-NiII Complexes [(bpb)2-= 1,2-Bis(pyridine-2-carboxamido)benzenate]","Inorganic Chemistry","2005","44","","2050","2059","10.1021/ic0489903","","","0.71073","MoKα","","0.1278","0.0897","","","0.2203","0.2455","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4301002","9.012","0.0018","12.754","0.003","15.216","0.003","114.37","0.03","93.67","0.03","105.56","0.03","1504","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H66 Fe2 N18 Ni O10 -","- C52 H66 Fe2 N18 Ni O10 -","- C52 H66 Fe2 N18 Ni O10 -","1","0.5","","Zhong-Hai Ni; Hui-Zhong Kou; Yi-Hua Zhao; Lei Zheng; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","[Fe(bpb)(CN)2]- as a Versatile Building Block for the Design of Novel Low-Dimensional Heterobimetallic Systems: Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged FeIII-NiII Complexes [(bpb)2- = 1,2-Bis(pyridine-2-carboxamido)benzenate]","Inorganic Chemistry","2005","44","","2050","2059","10.1021/ic0489903","","","0.71073","MoKα","","0.0934","0.0588","","","0.1218","0.1303","","","","","","1.083","","","","has coordinates","288539","2023-12-24","00:56:21",""
"4301003","9.0907","0.0018","12.861","0.003","15.096","0.003","113.48","0.03","93.39","0.03","106.71","0.03","1519.8","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H68 Fe2 N18 Ni O13 -","- C52 H68 Fe2 N18 Ni O13 -","- C52 H68 Fe2 N18 Ni O13 -","1","0.5","","Zhong-Hai Ni; Hui-Zhong Kou; Yi-Hua Zhao; Lei Zheng; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","[Fe(bpb)(CN)2]- as a Versatile Building Block for the Design of Novel Low-Dimensional Heterobimetallic Systems: Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged FeIII-NiII Complexes [(bpb)2- = 1,2-Bis(pyridine-2-carboxamido)benzenate]","Inorganic Chemistry","2005","44","","2050","2059","10.1021/ic0489903","","","0.71073","MoKα","","0.1055","0.06","","","0.1346","0.1509","","","","","","1.053","","","","has coordinates","288539","2023-12-24","00:56:26",""
"4301004","14.181","0.002","10.49","0.002","24.058","0.005","90","","104.203","0.014","90","","3469.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H70 Fe2 N18 Ni O8 -","- C64 H70 Fe2 N18 Ni O8 -","- C128 H140 Fe4 N36 Ni2 O16 -","2","0.5","","Zhong-Hai Ni; Hui-Zhong Kou; Yi-Hua Zhao; Lei Zheng; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","[Fe(bpb)(CN)2]- as a Versatile Building Block for the Design of Novel Low-Dimensional Heterobimetallic Systems: Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged FeIII-NiII Complexes [(bpb)2-= 1,2-Bis(pyridine-2-carboxamido)benzenate]","Inorganic Chemistry","2005","44","","2050","2059","10.1021/ic0489903","","","0.71073","MoKα","","0.1359","0.0706","","","0.1462","0.1693","","","","","","1.06","","","","has coordinates","179048","2020-10-21","18:00:00",""
"4301005","14.063","0.003","13.44","0.003","13.153","0.003","90","","94.13","0.03","90","","2479.5","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 Fe2 N17 Ni O4 -","- C50 H49 Fe2 N17 Ni O4 -","- C100 H98 Fe4 N34 Ni2 O8 -","2","0.5","","Zhong-Hai Ni; Hui-Zhong Kou; Yi-Hua Zhao; Lei Zheng; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","[Fe(bpb)(CN)2]- as a Versatile Building Block for the Design of Novel Low-Dimensional Heterobimetallic Systems: Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged FeIII-NiII Complexes [(bpb)2- = 1,2-Bis(pyridine-2-carboxamido)benzenate]","Inorganic Chemistry","2005","44","","2050","2059","10.1021/ic0489903","","","0.71073","MoKα","","0.1051","0.0607","","","0.1059","0.1128","","","","","","1.177","","","","has coordinates","288539","2023-12-24","00:56:26",""
"4301006","8.478","0.0017","19.437","0.004","20.664","0.004","90","","93.5","0.03","90","","3398.8","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl Fe N10 Ni O7 -","- C28 H32 Cl Fe N10 Ni O7 -","- C112 H128 Cl4 Fe4 N40 Ni4 O28 -","4","1","","Zhong-Hai Ni; Hui-Zhong Kou; Yi-Hua Zhao; Lei Zheng; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","[Fe(bpb)(CN)2]- as a Versatile Building Block for the Design of Novel Low-Dimensional Heterobimetallic Systems: Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged FeIII-NiII Complexes [(bpb)2- = 1,2-Bis(pyridine-2-carboxamido)benzenate]","Inorganic Chemistry","2005","44","","2050","2059","10.1021/ic0489903","","","0.71073","MoKα","","0.1407","0.0614","","","0.1207","0.1403","","","","","","1.09","","","","has coordinates","288539","2023-12-24","00:56:26",""
"4301007","10.53","0.002","13.456","0.003","13.858","0.003","80.41","0.03","72.78","0.03","81.81","0.03","1840.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H38 Cl Fe N12 Ni O6 -","- C30 H38 Cl Fe N12 Ni O6 -","- C60 H76 Cl2 Fe2 N24 Ni2 O12 -","2","1","","Zhong-Hai Ni; Hui-Zhong Kou; Yi-Hua Zhao; Lei Zheng; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","[Fe(bpb)(CN)2]- as a Versatile Building Block for the Design of Novel Low-Dimensional Heterobimetallic Systems: Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged FeIII-NiII Complexes [(bpb)2-= 1,2-Bis(pyridine-2-carboxamido)benzenate]","Inorganic Chemistry","2005","44","","2050","2059","10.1021/ic0489903","","","0.71073","MoKα","","0.1801","0.1109","","","0.2438","0.2741","","","","","","1.084","","","","has coordinates","179048","2020-10-21","18:00:00",""
"4301008","12.031","0.003","15.177","0.004","15.386","0.004","106.197","0.016","94.706","0.017","107.583","0.017","2529","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H56 Cl Fe N14 Ni O6 -","- C48 H50 Cl Fe N14 Ni O6 -","- C96 H100 Cl2 Fe2 N28 Ni2 O12 -","2","1","","Zhong-Hai Ni; Hui-Zhong Kou; Yi-Hua Zhao; Lei Zheng; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","[Fe(bpb)(CN)2]- as a Versatile Building Block for the Design of Novel Low-Dimensional Heterobimetallic Systems: Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged FeIII-NiII Complexes [(bpb)2-= 1,2-Bis(pyridine-2-carboxamido)benzenate]","Inorganic Chemistry","2005","44","","2050","2059","10.1021/ic0489903","","","0.71073","MoKα","","0.0783","0.0695","","","0.1667","0.1704","","","","","","1.118","","","","has coordinates","179048","2020-10-21","18:00:00",""
"4301009","16.522","0.004","19.518","0.005","17.644","0.003","90","","95.624","0.009","90","","5662","2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H62 N4 O5 Pt S2 -","- C68 H60 N4 O5 Pt S2 -","- C272 H240 N16 O20 Pt4 S8 -","4","1","","Masahiro Kato; Taka-aki Okamura; Hitoshi Yamamoto; Norikazu Ueyama","Effects of the Intramolecular NH...S Hydrogen Bond in Mononuclear Platinum(II) and Palladium(II) Complexes with 2,2'-Bipyridine and Benzenethiol Derivatives","Inorganic Chemistry","2005","44","","1966","1972","10.1021/ic0490167","","","0.71075","MoKα","","0.1041","0.046","","","0.0501","0.0545","","","","","","0.948","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4301010","30.881","0.004","14.2578","0.0017","19.3707","0.0019","90","","124.109","0.006","90","","7061.6","1.5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H42 N4 O3 Pt S2 -","- C35 H42 N4 O3 Pt S2 -","- C280 H336 N32 O24 Pt8 S16 -","8","1","","Masahiro Kato; Taka-aki Okamura; Hitoshi Yamamoto; Norikazu Ueyama","Effects of the Intramolecular NH...S Hydrogen Bond in Mononuclear Platinum(II) and Palladium(II) Complexes with 2,2'-Bipyridine and Benzenethiol Derivatives","Inorganic Chemistry","2005","44","","1966","1972","10.1021/ic0490167","","","0.71075","MoKα","","0.0424","0.0219","","","0.0478","0.0504","","","","","","0.867","","","","has coordinates","179048","2020-10-21","18:00:00",""
"4301022","9.605","0.002","12.734","0.002","13.504","0.002","90","","94.644","0.012","90","","1646.3","0.5","193.2","","193.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As2 F12 I4 S2 -","- As1.5 F12 I4 S2 -","- As6 F48 I16 S8 -","4","0.5","","Scott Brownridge; T. Stanley Cameron; Hongbin Du; Carsten Knapp; Ralf Köppe; Jack Passmore; J. Mikko Rautiainen; Hansgeorg Schnöckel","The Highest Bond Order Between Heavier Main-Group Elements in an Isolated Compound? Energetics and Vibrational Spectroscopy of S2I4(MF6)2 (M = As, Sb)","Inorganic Chemistry","2005","44","","1660","1671","10.1021/ic049035g","","","0.7107","MoKα","","0.0355","0.035","","0.041","","0.041","","","1.691","","","1.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4301024","14.5962","0.0017","13.3545","0.0019","15.8059","0.0015","90","","102.282","0.007","90","","3010.4","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl Mn N2 O4.5 -","- C14 H17 Cl Mn N2 O4.5 -","- C112 H136 Cl8 Mn8 N16 O36 -","8","2","","Wen-Yuan Hsieh; Shuang Liu","Synthesis, Characterization, and Structures of Mn(DMHP)3.12H2O and Mn(DMHP)2Cl.0.5H2O","Inorganic Chemistry","2005","44","","2031","2038","10.1021/ic0490627","","","0.71073","MO-Kα","","0.114","0.063","","","0.113","0.127","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4301025","12.1895","0.0009","12.8575","0.0011","17.0049","0.0013","88.5","0.01","80.518","0.009","70.631","0.009","2478.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H84 Cl4 N6 O12 Os2 P4 -","- C106 H84 Cl4 N6 O12 Os2 P4 -","- C106 H84 Cl4 N6 O12 Os2 P4 -","1","0.5","","Parna Gupta; Anindya Das; Falguni Basuli; Alfonso Castineiras; William S. Sheldrick; Heike Mayer-Figge; Samaresh Bhattacharya","Variable Coordination Mode of Chloranilic Acid. Synthesis, Structure, and Electrochemical Properties of Some Osmium Complexes","Inorganic Chemistry","2005","44","","2081","2088","10.1021/ic049149s","","","0.71073","MoKα","","0.0574","0.0457","","","0.1284","0.1393","","","","","","1.058","","","","has coordinates","179048","2020-10-21","18:00:00",""
"4301026","17.602","0.0017","13.273","0.0015","25.176","0.003","90","","127.15","0.1","90","","4688","6","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H41 Cl2 N3 O5 Os P2 -","- C53 H41 Cl2 N3 O5 Os P2 -","- C212 H164 Cl8 N12 O20 Os4 P8 -","4","1","","Parna Gupta; Anindya Das; Falguni Basuli; Alfonso Castineiras; William S. Sheldrick; Heike Mayer-Figge; Samaresh Bhattacharya","Variable Coordination Mode of Chloranilic Acid. Synthesis, Structure, and Electrochemical Properties of Some Osmium Complexes","Inorganic Chemistry","2005","44","","2081","2088","10.1021/ic049149s","","","0.71073","MoKα","","0.0862","0.0391","","","0.0794","0.0916","","","","","","0.996","","","","has coordinates","211152","2020-10-21","18:00:00",""
"4301027","10.302","0.003","12.262","0.003","15.481","0.005","99.96","0.02","105.47","0.03","104.69","0.04","1761.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H30 Cl O4 Os P2 -","- C41 H30 Cl O4 Os P2 -","- C82 H60 Cl2 O8 Os2 P4 -","2","1","","Parna Gupta; Anindya Das; Falguni Basuli; Alfonso Castineiras; William S. Sheldrick; Heike Mayer-Figge; Samaresh Bhattacharya","Variable Coordination Mode of Chloranilic Acid. Synthesis, Structure, and Electrochemical Properties of Some Osmium Complexes","Inorganic Chemistry","2005","44","","2081","2088","10.1021/ic049149s","","","0.71073","MoKα","","0.0608","0.0437","","","0.0926","0.0998","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4301038","15.511","0.009","15.58","0.01","9.848","0.005","85.35","0.02","76.53","0.02","61.97","0.02","2042","2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H46 Na6 O37 Ti -","- C18 H34 Na6 O37 Ti -","- C36 H68 Na12 O74 Ti2 -","2","1","","Kefalas, E. T.; Panagiotidis, P.; Raptopoulou, C. P.; Terzis, A.; Mavromoustakos, T.; Salifoglou, A.","Mononuclear Titanium(IV)‒Citrate Complexes from Aqueous Solutions: pH-Specific Synthesis and Structural and Spectroscopic Studies in Relevance to Aqueous Titanium(IV)‒Citrate Speciation","Inorganic Chemistry","2005","44","8","2596","2605","10.1021/ic049276o","","","0.71073","MoKα","","0.0775","0.0623","","0.1825","0.1628","","","","1.024","1.03","1.03","","","","","has coordinates","210208","2020-10-21","18:00:00",""
"4301039","12.437","0.005","12.44","0.005","12.041","0.005","83.08","0.02","81.43","0.02","67.45","0.02","1697.2","1.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H44 N3 Na3 O30 Ti -","- C18 H37 N3 Na3 O30 Ti -","- C36 H74 N6 Na6 O60 Ti2 -","2","1","","Kefalas, E. T.; Panagiotidis, P.; Raptopoulou, C. P.; Terzis, A.; Mavromoustakos, T.; Salifoglou, A.","Mononuclear Titanium(IV)‒Citrate Complexes from Aqueous Solutions: pH-Specific Synthesis and Structural and Spectroscopic Studies in Relevance to Aqueous Titanium(IV)‒Citrate Speciation","Inorganic Chemistry","2005","44","8","2596","2605","10.1021/ic049276o","","","1.5418","CuKα","","0.075","0.0636","","","0.1762","0.193","","","","","","1.043","","","","has coordinates","210208","2020-10-21","18:00:00",""
"4301040","10.111","0.002","14.737","0.003","15.342","0.003","112.86","0.03","107.21","0.03","90.75","0.03","1990.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Phenyl[tris(2-thio-3-trimethylsilylphenyl-k3S)phosphine-kP]tin","","","- C33 H41 P S3 Si3 Sn -","- C33 H41 P S3 Si3 Sn -","- C66 H82 P2 S6 Si6 Sn2 -","2","1","","Kerry A. Clark; T. Adrian George","Trigonal Bipyramidal Tin(IV) Complexes Containing Tetradentate Tripodal Tristhiolatophosphine Ligands: Synthesis, Characterization, Crystal Structure and Transmetalation Reactions","Inorganic Chemistry","2005","44","","416","422","10.1021/ic049328+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4301041","10.641","0.002","15.354","0.003","15.384","0.003","90","","91.85","0.03","90","","2512.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Phenyl[tris(2-thio-5-methylphenyl-k3S)phosphine-kP]tin","","","- C27 H23 P S3 Sn -","- C27 H23 P S3 Sn -","- C108 H92 P4 S12 Sn4 -","4","1","","Kerry A. Clark; T. Adrian George","Trigonal Bipyramidal Tin(IV) Complexes Containing Tetradentate Tripodal Tristhiolatophosphine Ligands: Synthesis, Characterization, Crystal Structure and Transmetalation Reactions","Inorganic Chemistry","2005","44","","416","422","10.1021/ic049328+","","","","","","","","","","","","","","","","","","","","","has coordinates","179048","2020-10-21","18:00:00",""
"4301042","10.041","0.002","12.99","0.003","17.548","0.004","90","","96.94","0.03","90","","2272.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Phenyl[tris(2-thio-phenyl-k3S)phosphine-kP]tin","","","- C24 H17 P S3 Sn -","- C24 H17 P S3 Sn -","- C96 H68 P4 S12 Sn4 -","4","1","","Kerry A. Clark; T. Adrian George","Trigonal Bipyramidal Tin(IV) Complexes Containing Tetradentate Tripodal Tristhiolatophosphine Ligands: Synthesis, Characterization, Crystal Structure and Transmetalation Reactions","Inorganic Chemistry","2005","44","","416","422","10.1021/ic049328+","","","","","","","","","","","","","","","","","","","","","has coordinates","179048","2020-10-21","18:00:00",""
"4301043","9.943","0.002","13.408","0.003","28.629","0.006","90","","96.3","0.03","90","","3793.6","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","m-2,2'-dithioperoxodiphenyl-1kC,2kC-bis[(2,2'-dithioperoxodiphenyl-k2C) phosphine oxide]","","","- C41 H29 N O2 P2 S6 -","- C41 H29 N O2 P2 S6 -","- C164 H116 N4 O8 P8 S24 -","4","1","","Kerry A. Clark; T. Adrian George","Trigonal Bipyramidal Tin(IV) Complexes Containing Tetradentate Tripodal Tristhiolatophosphine Ligands: Synthesis, Characterization, Crystal Structure and Transmetalation Reactions","Inorganic Chemistry","2005","44","","416","422","10.1021/ic049328+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4301055","16.913","0.001","9.101","0.001","12.044","0.001","90","","128.78","0.05","90","","1445.2","1","175","","175","","","","","","","","TiCl2(NMe2)2 + i-PrNH2","5","C 1 2/c 1","-C 2yc","15","","Ti(N-i-Pr)Cl2(NHMe2)2","","- C7 H21 Cl2 N3 Ti -","- C7 H21 Cl2 N3 Ti -","- C28 H84 Cl8 N12 Ti4 -","4","0.5","","Adams, Nico; Bigmore, Helen R.; Blundell, Timothy L.; Boyd, Catherine L.; Dubberley, Stuart R.; Sealey, Andrew J.; Cowley, Andrew R.; Skinner, Michael E. G.; Mountford, Philip","New Titanium Imido Synthons: Syntheses and Supramolecular Structures","Inorganic Chemistry","2005","44","8","2882","2894","10.1021/ic050011z","","","0.71073","MoKα","","","0.0264","","","","0.0333","","","","","","1.0524","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4301056","16.26","0.001","10.303","0.001","11.935","0.001","90","","131.01","0.01","90","","1508.8","0.3","150","","150","","","","","","","","Ti(NMe2)2Cl2 + PhNH2","5","C 1 2/c 1","-C 2yc","15","","Ti(NPh)Cl2(NHMe2)2","","- C10 H19 Cl2 N3 Ti -","- C10 H19 Cl2 N3 Ti -","- C40 H76 Cl8 N12 Ti4 -","4","0.5","","Adams, Nico; Bigmore, Helen R.; Blundell, Timothy L.; Boyd, Catherine L.; Dubberley, Stuart R.; Sealey, Andrew J.; Cowley, Andrew R.; Skinner, Michael E. G.; Mountford, Philip","New Titanium Imido Synthons: Syntheses and Supramolecular Structures","Inorganic Chemistry","2005","44","8","2882","2894","10.1021/ic050011z","","","0.71073","MoKα","","","0.025","","","","0.0307","","","","","","1.041","","","","has coordinates","210209","2020-10-21","18:00:00",""
"4301057","15.696","0.003","15.569","0.001","6.7371","0.0009","90","","109.69","0.02","90","","1550.1","0.4","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ti(NC6F5)Cl2(NHMe2)2","","- C10 H14 Cl2 F5 N3 Ti -","- C10 H14 Cl2 F5 N3 Ti -","- C40 H56 Cl8 F20 N12 Ti4 -","4","0.5","","Adams, Nico; Bigmore, Helen R.; Blundell, Timothy L.; Boyd, Catherine L.; Dubberley, Stuart R.; Sealey, Andrew J.; Cowley, Andrew R.; Skinner, Michael E. G.; Mountford, Philip","New Titanium Imido Synthons: Syntheses and Supramolecular Structures","Inorganic Chemistry","2005","44","8","2882","2894","10.1021/ic050011z","","","1.5418","CuKα","","","0.0615","","","","0.0648","","","","","","1.0778","","","","has coordinates","210209","2020-10-21","18:00:00",""
"4301058","7.3945","0.0001","12.7544","0.0002","12.9622","0.0002","115.61","0.0009","90.7721","0.0008","106.112","0.001","1046.45","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","Ti(NC6Cl4H)Cl2(NHMe2)2 . 0.5(C6H6)","","- C13 H18 Cl6 N3 Ti -","- C13 H18 Cl6 N3 Ti -","- C26 H36 Cl12 N6 Ti2 -","2","1","","Adams, Nico; Bigmore, Helen R.; Blundell, Timothy L.; Boyd, Catherine L.; Dubberley, Stuart R.; Sealey, Andrew J.; Cowley, Andrew R.; Skinner, Michael E. G.; Mountford, Philip","New Titanium Imido Synthons: Syntheses and Supramolecular Structures","Inorganic Chemistry","2005","44","8","2882","2894","10.1021/ic050011z","","","0.71073","MoKα","","0.0489","0.0341","","0.0521","0.0408","0.0408","","","","","","1.0539","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4301059","16.1331","0.0002","6.5142","0.0002","32.3906","0.0005","90","","90","","90","","3404.07","0.12","150","","150","","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","Ti(N-2-C6H4CF3)Cl2(NHMe2)2","","- C11 H18 Cl2 F3 N3 Ti -","- C11 H18 Cl2 F3 N3 Ti -","- C88 H144 Cl16 F24 N24 Ti8 -","8","2","","Adams, Nico; Bigmore, Helen R.; Blundell, Timothy L.; Boyd, Catherine L.; Dubberley, Stuart R.; Sealey, Andrew J.; Cowley, Andrew R.; Skinner, Michael E. G.; Mountford, Philip","New Titanium Imido Synthons: Syntheses and Supramolecular Structures","Inorganic Chemistry","2005","44","8","2882","2894","10.1021/ic050011z","","","0.71073","MoKα","","0.0686","0.0364","","0.0641","0.0343","0.0343","","","","","","1.0674","","","","has coordinates","210209","2020-10-21","18:00:00",""
"4301060","10.5572","0.0002","11.441","0.0003","18.3161","0.0005","90","","96.8053","0.001","90","","2196.72","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ti(N-2-C6H4tBu)Cl2(NHMe2)2","","- C16.5 H33 Cl2 N3 Ti -","- C16.5 H33 Cl2 N3 Ti -","- C66 H132 Cl8 N12 Ti4 -","4","1","","Adams, Nico; Bigmore, Helen R.; Blundell, Timothy L.; Boyd, Catherine L.; Dubberley, Stuart R.; Sealey, Andrew J.; Cowley, Andrew R.; Skinner, Michael E. G.; Mountford, Philip","New Titanium Imido Synthons: Syntheses and Supramolecular Structures","Inorganic Chemistry","2005","44","8","2882","2894","10.1021/ic050011z","","","0.71073","MoKα","","0.0642","0.0324","","0.0626","0.0357","0.0357","","","","","","1.1117","","","","has coordinates","210209","2020-10-21","18:00:00",""
"4301061","7.2324","0.0002","18.1474","0.0005","13.7813","0.0003","90","","103.425","0.001","90","","1759.36","0.08","150","","150","","","","","","","","[Ti(N-t-Bu)Cl2(py)3] + C6F5NH2","6","P 1 21/n 1","-P 2yn","14","","[Ti2(NC6F5)2Cl2(mu-Cl)2(NC5H5)4]","","- C32 H20 Cl2 F10 N6 Ti2 -","- C32 H20 Cl4 F10 N6 Ti2 -","- C64 H40 Cl8 F20 N12 Ti4 -","2","0.5","","Adams, Nico; Bigmore, Helen R.; Blundell, Timothy L.; Boyd, Catherine L.; Dubberley, Stuart R.; Sealey, Andrew J.; Cowley, Andrew R.; Skinner, Michael E. G.; Mountford, Philip","New Titanium Imido Synthons: Syntheses and Supramolecular Structures","Inorganic Chemistry","2005","44","8","2882","2894","10.1021/ic050011z","","","0.71073","MoKα","","","0.0294","","","0.0407","","","","","0.4836","0.4836","","","","","has coordinates","288252","2023-12-12","14:26:24",""
"4301062","9.8201","0.0015","19.358","0.003","9.8553","0.0012","90","","99.828","0.01","90","","1846","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O4 Pb S2 -","- C18 H14 N2 O4 Pb S2 -","- C72 H56 N8 O16 Pb4 S8 -","4","1","","Kavallieratos, Konstantinos; Rosenberg, Jay M.; Bryan, Jeffrey C.","Pb(II) Coordination and Synergistic Ion-Exchange Extraction by Combinations of Sulfonamide Chelates and 2,2'-Bipyridine","Inorganic Chemistry","2005","44","8","2573","2575","10.1021/ic050047r","","","0.71073","MoKα","","0.04","0.028","","","0.071","0.075","","","","","","1.04","","","","has coordinates","210210","2020-10-21","18:00:00",""
"4301063","9.113","0.002","18.516","0.004","15.918","0.003","90","","105.33","0.03","90","","2590.4","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H27 I4 N3 O Te2 -","- C12 H27 I4 N3 O Te2 -","- C48 H108 I16 N12 O4 Te8 -","4","1","","Konu, Jari; Chivers, Tristram; Schatte, Gabriele; Parvez, Masood; Laitinen, Risto S.","Formation of N‒I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations","Inorganic Chemistry","2005","44","8","2973","2982","10.1021/ic050058k","","","0.71069","MoKα","","0.1128","0.085","","","0.2011","0.2168","","","","","","1.114","","","","has coordinates","210211","2020-10-21","18:00:00",""
"4301064","16.183","0.003","17.695","0.004","18.374","0.004","90","","90","","90","","5261.5","1.9","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H37 F3 N4 O3 S Te2 -","- C17 H37 F3 N4 O3 S Te2 -","- C136 H296 F24 N32 O24 S8 Te16 -","8","2","","Konu, Jari; Chivers, Tristram; Schatte, Gabriele; Parvez, Masood; Laitinen, Risto S.","Formation of N‒I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations","Inorganic Chemistry","2005","44","8","2973","2982","10.1021/ic050058k","","","0.71073","MoKα","","0.0655","0.0404","","","0.0634","0.071","","","","","","0.997","","","","has coordinates","210211","2020-10-21","18:00:00",""
"4301065","10.332","0.002","13.185","0.003","17.05","0.003","91.75","0.03","105.24","0.03","102.45","0.03","2178.9","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H40.11 I9.89 N5 Te2 -","- C18 H40.1172 I9.8828 N5 Te2 -","- C36 H80.2344 I19.7656 N10 Te4 -","2","1","","Konu, Jari; Chivers, Tristram; Schatte, Gabriele; Parvez, Masood; Laitinen, Risto S.","Formation of N‒I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations","Inorganic Chemistry","2005","44","8","2973","2982","10.1021/ic050058k","","","0.71073","MoKα","","0.0701","0.0405","","","0.0759","0.0857","","","","","","1.116","","","","has coordinates,has disorder","210211","2020-10-21","18:00:00",""
"4301066","9.943","0.002","9.957","0.002","12.931","0.003","104.44","0.03","101.61","0.03","93.68","0.03","1205.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H30 I3 N3 O Te2 -","- C13 H30 I3 N3 O Te2 -","- C26 H60 I6 N6 O2 Te4 -","2","1","","Konu, Jari; Chivers, Tristram; Schatte, Gabriele; Parvez, Masood; Laitinen, Risto S.","Formation of N‒I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations","Inorganic Chemistry","2005","44","8","2973","2982","10.1021/ic050058k","","","0.71073","MoKα","","0.0504","0.0306","","","0.0595","0.0659","","","","","","0.978","","","","has coordinates","210211","2020-10-21","18:00:00",""
"4301067","12.179","0.002","15.674","0.0011","14.36","0.003","90","","93.9","0.03","90","","2734.9","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 I3 N4 O Te2 -","- C15 H33 I3 N4 O Te2 -","- C60 H132 I12 N16 O4 Te8 -","4","1","","Konu, Jari; Chivers, Tristram; Schatte, Gabriele; Parvez, Masood; Laitinen, Risto S.","Formation of N‒I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations","Inorganic Chemistry","2005","44","8","2973","2982","10.1021/ic050058k","","","0.71073","MoKα","","0.0358","0.0254","","","0.0579","0.062","","","","","","1.047","","","","has coordinates","210211","2020-10-21","18:00:00",""
"4301068","18.3204","0.0016","14.0127","0.0012","18.1038","0.0016","90","","90","","90","","4647.6","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(K-18C6)2Si9*py","","- C29 H53 K2 N O12 Si9 -","- C29 H53 K2 N O12 Si9 -","- C116 H212 K8 N4 O48 Si36 -","4","0.5","","Goicoechea, Jose M.; Sevov, Slavi C.","Ligand-Free Deltahedral Clusters of Silicon in Solution: Synthesis, Structure, and Electrochemistry of Si~9~^2-^","Inorganic Chemistry","2005","44","8","2654","2658","10.1021/ic0500964","","","0.71073","MoKα","","0.1127","0.0618","","","0.1493","0.1623","","","","","","0.96","","","","has coordinates","210213","2020-10-21","18:00:00",""
"4308318","7.6621","0.0008","8.0997","0.0009","12.5997","0.0016","85.294","0.014","84.222","0.014","78.708","0.013","761.36","0.16","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C20.5 H17 V -","- C20.5 H13 V -","- C41 H26 V2 -","2","1","","Christoph Elschenbroich; Jörn Plackmeyer; Mathias Nowotny; Klaus Harms; Jürgen Pebler; Olaf Burghaus","Di([5]trovacenyl)ethyne, Di([5]trovacenyl)butadiyne, and Di-1,4-([5]trovacenylethynyl)benzene: Electrocommunication and Magnetocommunication Mediated by C\τbC, C\τbCC\τbC and C\τbCC6H4C\τbC Spacers","Inorganic Chemistry","2005","44","","955","963","10.1021/ic040090z","","","0.71073","MoKα","","0.0575","0.0456","","","0.1315","0.1376","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308319","9.7665","0.0005","9.9799","0.0004","18.5088","0.0007","89.293","0.002","82.726","0.002","87.433","0.002","1787.67","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- Cl F36 O9 S Sb Te7 Xe -","- Cl F36 O9 S Sb Te7 Xe -","- Cl2 F72 O18 S2 Sb2 Te14 Xe2 -","2","1","","Hélène P. A. Mercier; Matthew D. Moran; Jeremy C. P. Sanders; Gary J. Schrobilgen; R. J. Suontamo","Synthesis, Structural Characterization, and Computational Study of the Strong Oxidant Salt [XeOTeF5][Sb(OTeF5)6].SO2ClF","Inorganic Chemistry","2005","44","","49","60","10.1021/ic0400890","","","0.71073","MoKα","","0.0913","0.0451","","","0.093","0.1016","","","","","","0.966","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308320","7.5479","0.001","18.739","0.003","15.885","0.002","90","","90.667","0.002","90","","2246.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-(bis(hexafluoroacetylacetonato)-nickel(II) -(mu2-2,6-diselenaspiro[3,3]heptane-Se,Se'))","","- C15 H10 F12 Ni O4 Se2 -","- C15 H10 F12 Ni O4 Se2 -","- C60 H40 F48 Ni4 O16 Se8 -","4","1","","Marina A. Petrukhina; Colin Henck; Bo Li; Eric Block; Jin Jin; Shao-Zhong Zhang; Rodolphe Clerac","Spirocyclic Sulfur and Selenium Ligands as Molecular Rigid Rods in Coordination of Transition Metal Centers","Inorganic Chemistry","2005","44","","77","84","10.1021/ic040102g","","","0.71073","MoKα","","0.0942","0.0865","","","0.2186","0.2214","","","","","","1.127","","","","has coordinates,has disorder","179121","2020-10-21","18:00:00",""
"4308321","5.8013","0.0004","19.2532","0.0012","5.8183","0.0004","90","","109.709","0.001","90","","611.8","0.07","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-dithiaspiro[3.3]heptane","","- C5 H8 S2 -","- C5 H8 S2 -","- C20 H32 S8 -","4","1","","Marina A. Petrukhina; Colin Henck; Bo Li; Eric Block; Jin Jin; Shao-Zhong Zhang; Rodolphe Clerac","Spirocyclic Sulfur and Selenium Ligands as Molecular Rigid Rods in Coordination of Transition Metal Centers","Inorganic Chemistry","2005","44","","77","84","10.1021/ic040102g","","","0.71073","MoKα","","0.0266","0.0253","","","0.068","0.0691","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308322","5.8538","0.0005","19.4846","0.0018","5.8579","0.0005","90","","109.123","0.001","90","","631.28","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-thia-6-selenaspiro[3.3]heptane","","- C5 H8 S Se -","- C5 H8 S Se -","- C20 H32 S4 Se4 -","4","1","","Marina A. Petrukhina; Colin Henck; Bo Li; Eric Block; Jin Jin; Shao-Zhong Zhang; Rodolphe Clerac","Spirocyclic Sulfur and Selenium Ligands as Molecular Rigid Rods in Coordination of Transition Metal Centers","Inorganic Chemistry","2005","44","","77","84","10.1021/ic040102g","","","0.71073","MoKα","","0.0197","0.0186","","","0.0512","0.0516","","","","","","1.064","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308323","21.249","0.0012","8.0736","0.0004","9.668","0.0005","90","","95.483","0.001","90","","1651.01","0.15","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(hexafluoroacetylacetonato)-cobalt(II) dihydrate","","- C10 H6 Co F12 O6 -","- C10 H6 Co F12 O6 -","- C40 H24 Co4 F48 O24 -","4","0.5","","Marina A. Petrukhina; Colin Henck; Bo Li; Eric Block; Jin Jin; Shao-Zhong Zhang; Rodolphe Clerac","Spirocyclic Sulfur and Selenium Ligands as Molecular Rigid Rods in Coordination of Transition Metal Centers","Inorganic Chemistry","2005","44","","77","84","10.1021/ic040102g","","","0.71073","MoKα","","0.0323","0.0311","","","0.0811","0.082","","","","","","1.057","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308324","11.1179","0.0009","11.5052","0.001","12.3911","0.0011","90.654","0.001","99.28","0.001","110.509","0.001","1461.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","tris(bis(hexafluoroacetylacetonato)-copper(II)) -bis(mu2-2,6-diselenaspiro[3,3]heptane-Se, Se')","","- C40 H22 Cu3 F36 O12 Se4 -","- C40 H22 Cu3 F35.7 O12 Se4 -","- C40 H22 Cu3 F35.7 O12 Se4 -","1","0.5","","Marina A. Petrukhina; Colin Henck; Bo Li; Eric Block; Jin Jin; Shao-Zhong Zhang; Rodolphe Clerac","Spirocyclic Sulfur and Selenium Ligands as Molecular Rigid Rods in Coordination of Transition Metal Centers","Inorganic Chemistry","2005","44","","77","84","10.1021/ic040102g","","","0.71073","MoKα","","0.0798","0.0523","","","0.1198","0.1329","","","","","","1.005","","","","has coordinates,has disorder","179121","2020-10-21","18:00:00",""
"4308325","11.2238","0.0015","11.4147","0.0015","12.4732","0.0017","91.251","0.002","98.773","0.002","110.096","0.002","1478.4","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","tris(bis(hexafluoroacetylacetonato)-copper(II)) -bis(mu2-2-thia-6-selenaspiro[3,3]heptane-Se,S)","","- C40 H22 Cu3 F36 O12 S2 Se2 -","- C38 H22 Cu3 F35.94 O12 S2 Se2 -","- C38 H22 Cu3 F35.94 O12 S2 Se2 -","1","0.5","","Marina A. Petrukhina; Colin Henck; Bo Li; Eric Block; Jin Jin; Shao-Zhong Zhang; Rodolphe Clerac","Spirocyclic Sulfur and Selenium Ligands as Molecular Rigid Rods in Coordination of Transition Metal Centers","Inorganic Chemistry","2005","44","","77","84","10.1021/ic040102g","","","0.71073","MoKα","","0.0845","0.0625","","","0.166","0.1828","","","","","","1.049","","","","has coordinates,has disorder","179121","2020-10-21","18:00:00",""
"4308326","7.5777","0.0009","18.924","0.002","15.8309","0.0018","90","","91.527","0.002","90","","2269.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-(bis(hexafluoroacetylacetonato)-cobalt(II) -(mu2-2,6-diselenaspiro[3,3]heptane-Se,Se'))","","- C15 H10 Co F12 O4 Se2 -","- C15 H10 Co F11.97 O4 Se2 -","- C60 H40 Co4 F47.88 O16 Se8 -","4","1","","Marina A. Petrukhina; Colin Henck; Bo Li; Eric Block; Jin Jin; Shao-Zhong Zhang; Rodolphe Clerac","Spirocyclic Sulfur and Selenium Ligands as Molecular Rigid Rods in Coordination of Transition Metal Centers","Inorganic Chemistry","2005","44","","77","84","10.1021/ic040102g","","","0.71073","MoKα","","0.0702","0.0538","","","0.1352","0.1453","","","","","","1.05","","","","has coordinates,has disorder","179121","2020-10-21","18:00:00",""
"4308327","11.7992","0.0007","37.804","0.002","12.7372","0.0008","90","","110.308","0.003","90","","5328.4","0.5","113.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H54 N4 O43 Si V2 W10 -","- C16 N4 O43 Si V2 W10 -","- C64 N16 O172 Si4 V8 W40 -","4","1","","Yoshinao Nakagawa; Kazuhiro Uehara; Noritaka Mizuno","Sterically Controlled Esterification on Bis(μ-hydroxo) Dioxovanadium Site in γ-H2SiV2W10O404-","Inorganic Chemistry","2005","44","","14","16","10.1021/ic0483388","","","0.7107","MoKα","","","0.022","","","","0.025","","","","","","1.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308328","15.107","0.007","17.44","0.008","21.742","0.012","81.44","0.02","84.21","0.02","67.64","0.02","5232","5","183.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H96 K3.5 N0.5 O63.5 Si V2 W10 -","- C46 K3.5 N0.5 O63.5 Si V2 W10 -","- C92 K7 N O127 Si2 V4 W20 -","2","1","","Yoshinao Nakagawa; Kazuhiro Uehara; Noritaka Mizuno","Sterically Controlled Esterification on Bis(μ-hydroxo) Dioxovanadium Site in γ-H2SiV2W10O404-","Inorganic Chemistry","2005","44","","14","16","10.1021/ic0483388","","","0.7107","MoKα","","","0.064","","","","0.073","","","","","","4.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308329","11.5192","0.0018","7.4977","0.0012","3.9607","0.0006","90","","90","","90","","342.08","0.09","173","2","173","2","","","","","","","","4","C m m a","-C 2a 2","67","NH4-H2PO2","","","- H6 N O2 P -","- H6 N O2 P -","- H24 N4 O8 P4 -","4","0.25","","Simona Marincean; Radu Custelcean; Robin S. Stein; James E. Jackson","Structural Reinvestigation of Ammonium Hypophosphite: Was Dihydrogen Bonding Observed Long Ago?","Inorganic Chemistry","2005","44","","45","48","10.1021/ic048657z","","","0.71073","MoKα","","0.0205","0.0198","","","0.0608","0.0611","","","","","","1.237","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308330","11.6421","0.0002","12.9269","0.0001","13.2228","0.0001","64.151","0.006","82.562","0.009","73.24","0.008","1714.79","0.12","153.2","","","","","","","","","","","6","P 1","P 1","1","","","","- C58 H69 Cu4 N10 O30.5 P2 -","- C58 H52 Cu4 N10 O30.5 P2 -","- C58 H52 Cu4 N10 O30.5 P2 -","1","1","","Merii Kato; Tomoaki Tanase","Tetranuclear Copper(II) Complex with Glucose-1-phosphate and Its Phosphate Ester Exchange with ATP","Inorganic Chemistry","2005","44","","8","10","10.1021/ic0487631","","","0.7107","MoKα","","","0.0498","","","","0.1438","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308331","10.9106","0.0002","12.7652","0.0004","17.4061","0.0002","76.852","0.006","72.075","0.006","84.895","0.007","2245.64","0.13","153.2","","","","","","","","","","","6","P 1","P 1","1","","","","- C60 H97 Cu4 N18 O46.5 P6 -","- C60 H55 Cu4 N18 O46.5 P6 -","- C60 H55 Cu4 N18 O46.5 P6 -","1","1","","Merii Kato; Tomoaki Tanase","Tetranuclear Copper(II) Complex with Glucose-1-phosphate and Its Phosphate Ester Exchange with ATP","Inorganic Chemistry","2005","44","","8","10","10.1021/ic0487631","","","0.7107","MoKα","","","0.0372","","","","0.1001","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308332","17.316","0.003","10.919","0.002","10.0939","0.0019","90","","90","","90","","1908.5","0.6","298","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H16 N4 Pt -","- C24 H16 N4 Pt -","- C96 H64 N16 Pt4 -","4","0.5","","Nail M. Shavaleev; Gianluca Accorsi; Dalia Virgili; Zöe R. Bell; Theodore Lazarides; Giuseppe Calogero; Nicola Armaroli; Michael D. Ward","Syntheses and Crystal Structures of Dinuclear Complexes Containing d-Block and f-Block Luminophores. Sensitization of NIR Luminescence from Yb(III), Nd(III), and Er(III) Centers by Energy Transfer from Re(I)- and Pt(II)-Bipyrimidine Metal Centers","Inorganic Chemistry","2005","44","","61","72","10.1021/ic048875s","","","0.71073","MoKα","","0.0394","0.0184","","","0.0387","0.0445","","","","","","1.046","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308333","29.101","0.004","7.3072","0.0009","28.224","0.004","90","","120.644","0.011","90","","5163.6","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 F6 N4 Pt -","- C26 H14 F6 N4 Pt -","- C208 H112 F48 N32 Pt8 -","8","1","","Nail M. Shavaleev; Gianluca Accorsi; Dalia Virgili; Zöe R. Bell; Theodore Lazarides; Giuseppe Calogero; Nicola Armaroli; Michael D. Ward","Syntheses and Crystal Structures of Dinuclear Complexes Containing d-Block and f-Block Luminophores. Sensitization of NIR Luminescence from Yb(III), Nd(III), and Er(III) Centers by Energy Transfer from Re(I)- and Pt(II)-Bipyrimidine Metal Centers","Inorganic Chemistry","2005","44","","61","72","10.1021/ic048875s","","","0.71073","MoKα","","0.0574","0.0407","","","0.1125","0.1191","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308334","11.791","0.004","12.177","0.003","18.722","0.004","81.78","0.02","88.31","0.02","82.889","0.017","2639.8","1.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H36 Cl F21 N4 O9 Re Yb -","- C41 H36 Cl F21 N4 O9 Re Yb -","- C82 H72 Cl2 F42 N8 O18 Re2 Yb2 -","2","1","","Nail M. Shavaleev; Gianluca Accorsi; Dalia Virgili; Zöe R. Bell; Theodore Lazarides; Giuseppe Calogero; Nicola Armaroli; Michael D. Ward","Syntheses and Crystal Structures of Dinuclear Complexes Containing d-Block and f-Block Luminophores. Sensitization of NIR Luminescence from Yb(III), Nd(III), and Er(III) Centers by Energy Transfer from Re(I)- and Pt(II)-Bipyrimidine Metal Centers","Inorganic Chemistry","2005","44","","61","72","10.1021/ic048875s","","","0.71073","MoKα","","0.1226","0.0598","","","0.1366","0.1609","","","","","","0.968","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308335","19.9826","0.0017","11.2877","0.0012","25.436","0.003","90","","109.142","0.006","90","","5420.1","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H23 F24 Gd N4 O7 Pt -","- C47 H23 F24 Gd N4 O7 Pt -","- C188 H92 F96 Gd4 N16 O28 Pt4 -","4","1","","Nail M. Shavaleev; Gianluca Accorsi; Dalia Virgili; Zöe R. Bell; Theodore Lazarides; Giuseppe Calogero; Nicola Armaroli; Michael D. Ward","Syntheses and Crystal Structures of Dinuclear Complexes Containing d-Block and f-Block Luminophores. Sensitization of NIR Luminescence from Yb(III), Nd(III), and Er(III) Centers by Energy Transfer from Re(I)- and Pt(II)-Bipyrimidine Metal Centers","Inorganic Chemistry","2005","44","","61","72","10.1021/ic048875s","","","0.71073","MoKα","","0.0913","0.0536","","","0.1351","0.1541","","","","","","1.027","","","","has coordinates,has disorder","179121","2020-10-21","18:00:00",""
"4308336","11.325","0.003","20.578","0.003","23.106","0.004","90.358","0.012","95.917","0.012","103.55","0.02","5204.4","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H23 F24 N4 Nd O7 Pt -","- C47 H23 F24 N4 Nd O7 Pt -","- C188 H92 F96 N16 Nd4 O28 Pt4 -","4","2","","Nail M. Shavaleev; Gianluca Accorsi; Dalia Virgili; Zöe R. Bell; Theodore Lazarides; Giuseppe Calogero; Nicola Armaroli; Michael D. Ward","Syntheses and Crystal Structures of Dinuclear Complexes Containing d-Block and f-Block Luminophores. Sensitization of NIR Luminescence from Yb(III), Nd(III), and Er(III) Centers by Energy Transfer from Re(I)- and Pt(II)-Bipyrimidine Metal Centers","Inorganic Chemistry","2005","44","","61","72","10.1021/ic048875s","","","0.71073","MoKα","","0.0894","0.0684","","","0.1549","0.1661","","","","","","1.072","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308337","30.6","0.01","13.764","0.003","16.305","0.003","90","","90","","90","","6867","3","293","","293","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C26 H39.5 B Mo N7 O4.75 S3 -","- C26 H38 B Mo N7 O4.75 S3 -","- C208 H304 B8 Mo8 N56 O38 S24 -","8","1","","Patrick J. Lim; Damian A. Slizys; Edward R. T. Tiekink; Charles G. Young","Formation of Mono(dithiolene)-Thiocarboxamido Complexes in Reactions of Thio(dithiocarbamato)-Mo/W Complexes and Dimethyl Acetylenedicarboxylate","Inorganic Chemistry","2005","44","","114","121","10.1021/ic048882g","","","0.7107","MoKα","","0.214","0.072","","","0.179","0.229","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308338","12.219","0.002","13.088","0.002","11.403","0.002","102.23","0.01","108.84","0.01","91.56","0.01","1677.7","0.5","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H38 B N7 O4 S3 W -","- C26 H38 B N7 O4 S3 W -","- C52 H76 B2 N14 O8 S6 W2 -","2","1","","Patrick J. Lim; Damian A. Slizys; Edward R. T. Tiekink; Charles G. Young","Formation of Mono(dithiolene)-Thiocarboxamido Complexes in Reactions of Thio(dithiocarbamato)-Mo/W Complexes and Dimethyl Acetylenedicarboxylate","Inorganic Chemistry","2005","44","","114","121","10.1021/ic048882g","","","0.7107","MoKα","","0.07","0.038","","","0.089","0.099","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308339","10.0501","0.0002","10.1181","0.0002","14.7404","0.0003","89.862","0.001","82.038","0.001","62.051","0.001","1307.98","0.05","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H33 B Mo N7 O2 S2 -","- C22 H33 B Mo N7 O2 S2 -","- C44 H66 B2 Mo2 N14 O4 S4 -","2","1","","Patrick J. Lim; Damian A. Slizys; Edward R. T. Tiekink; Charles G. Young","Formation of Mono(dithiolene)-Thiocarboxamido Complexes in Reactions of Thio(dithiocarbamato)-Mo/W Complexes and Dimethyl Acetylenedicarboxylate","Inorganic Chemistry","2005","44","","114","121","10.1021/ic048882g","","","0.7107","MoKα","","0.052","0.035","","0.038","","0.036","","","2.02","","","2.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308340","11.0894","0.0007","11.9455","0.0007","22.2423","0.0014","94.297","0.001","95.413","0.001","93.737","0.001","2917.3","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl2 Hg N4 O8 S2 -","- C24 H24 Cl2 Hg N4 O8 S2 -","- C96 H96 Cl8 Hg4 N16 O32 S8 -","4","2","","Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide","Inorganic Chemistry","2005","44","","27","39","10.1021/ic048915s","","","0.71073","MoKα","","0.037","0.0327","","","0.0715","0.0756","","","","","","1.116","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308341","11.9256","0.0011","14.7933","0.0015","16.0047","0.0016","90","","95.129","0.002","90","","2812.2","0.5","148","2","148","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cd Cl2 N4 O8 S2 -","- C24 H24 Cd Cl2 N4 O8 S2 -","- C96 H96 Cd4 Cl8 N16 O32 S8 -","4","1","","Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide","Inorganic Chemistry","2005","44","","27","39","10.1021/ic048915s","","","0.71073","MoKα","","0.0384","0.0353","","","0.0884","0.0922","","","","","","1.078","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308342","15.1477","0.0009","11.9972","0.0007","17.1143","0.0011","90","","90","","90","","3110.2","0.3","93","2","93","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C26 H26 Cl2 N5 O8 S2 Zn -","- C26 H26 Cl2 N5 O8 S2 Zn -","- C104 H104 Cl8 N20 O32 S8 Zn4 -","4","0.25","","Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide","Inorganic Chemistry","2005","44","","27","39","10.1021/ic048915s","","","0.71073","MoKα","","0.0249","0.0226","","","0.0618","0.0627","","","","","","1.039","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308343","11.7382","0.0005","8.5553","0.0004","15.1543","0.0006","90","","111.931","0.001","90","","1411.72","0.11","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 Hg N2 S -","- C12 H12 Cl2 Hg N2 S -","- C48 H48 Cl8 Hg4 N8 S4 -","4","1","","Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide","Inorganic Chemistry","2005","44","","27","39","10.1021/ic048915s","","","0.71073","MoKα","","0.0236","0.0225","","","0.0553","0.0558","","","","","","1.164","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308344","9.5155","0.0009","10.2269","0.001","15.3232","0.0015","81.278","0.002","88.263","0.002","77.873","0.002","1441","0.2","148","2","148","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cd2 Cl4 N4 S2 -","- C24 H24 Cd2 Cl4 N4 S2 -","- C48 H48 Cd4 Cl8 N8 S4 -","2","1","","Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide","Inorganic Chemistry","2005","44","","27","39","10.1021/ic048915s","","","0.71073","MoKα","","0.0386","0.0349","","","0.0919","0.0954","","","","","","1.044","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308345","8.8379","0.0006","8.8379","0.0006","18.423","0.002","90","","90","","90","","1439","0.2","93","2","93","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C12 H12 Cl2 N2 S Zn -","- C12 H12 Cl2 N2 S Zn -","- C48 H48 Cl8 N8 S4 Zn4 -","4","0.5","","Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide","Inorganic Chemistry","2005","44","","27","39","10.1021/ic048915s","","","0.71073","MoKα","","0.019","0.0185","","","0.0463","0.0466","","","","","","1.117","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308346","8.9643","0.0008","12.3703","0.001","15.646","0.0014","90","","90","","90","","1735","0.3","103","2","103","2","","","","","","","","6","P 21 c n","P -2n 2a","33","","","","- C12 H12 Cl4 Hg2 N2 S -","- C12 H12 Cl4 Hg2 N2 S -","- C48 H48 Cl16 Hg8 N8 S4 -","4","1","","Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide","Inorganic Chemistry","2005","44","","27","39","10.1021/ic048915s","","","0.71073","MoKα","","0.0334","0.0316","","","0.0798","0.0806","","","","","","1.081","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308347","15.725","0.003","9.883","0.002","14.08","0.003","90","","102.39","0.03","90","","2137.2","0.8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans,trans,trans-[Diichlorobis(indazole)bis(dimethyl sulphide) ruthenium(II)]","","- C18 H24 Cl2 N4 Ru S2 -","- C18 H24 Cl2 N4 Ru S2 -","- C72 H96 Cl8 N16 Ru4 S8 -","4","0.5","","Alexander Egger; Vladimir B. Arion; Erwin Reisner; Berta Cebrián-Losantos; Sergiu Shova; Günter Trettenhahn; Bernhard K. Keppler","Reactions of Potent Antitumor Complex trans-[RuIIICl4(indazole)2]- with a DNA-Relevant Nucleobase and Thioethers: Insight into Biological Action","Inorganic Chemistry","2005","44","","122","132","10.1021/ic048967h","","","0.71073","MoKα","","0.0391","0.0314","","","0.0822","0.0886","","","","","","0.998","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308348","17.029","0.003","12.393","0.002","20.013","0.004","90","","90.91","0.03","90","","4223","1.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","mer-[Trichlorobis(indazole)(dimethyl sulphide)ruthenium(III)]","","- C18 H22 Cl3 N4 Ru S -","- C17.996 H22 Cl3 N4 Ru S0.999 -","- C143.968 H176 Cl24 N32 Ru8 S7.992 -","8","2","","Alexander Egger; Vladimir B. Arion; Erwin Reisner; Berta Cebrián-Losantos; Sergiu Shova; Günter Trettenhahn; Bernhard K. Keppler","Reactions of Potent Antitumor Complex trans-[RuIIICl4(indazole)2]- with a DNA-Relevant Nucleobase and Thioethers: Insight into Biological Action","Inorganic Chemistry","2005","44","","122","132","10.1021/ic048967h","","","0.71073","MoKα","","0.0563","0.0496","","","0.1332","0.139","","","","","","1.058","","","","has coordinates,has disorder","179121","2020-10-21","18:00:00",""
"4308349","14.834","0.003","9.763","0.002","18.102","0.004","90","","100.33","0.03","90","","2579.1","1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mer-[Trichlorobis(indazole)(9-methyladenine)ruthenium(III)].1.1H2O .0.9CH3OH","","- C21 H24.5 Cl3 N9 O2 Ru -","- C20.9 H24.4 Cl3 N9 O2 Ru -","- C83.6 H97.6 Cl12 N36 O8 Ru4 -","4","1","","Alexander Egger; Vladimir B. Arion; Erwin Reisner; Berta Cebrián-Losantos; Sergiu Shova; Günter Trettenhahn; Bernhard K. Keppler","Reactions of Potent Antitumor Complex trans-[RuIIICl4(indazole)2]- with a DNA-Relevant Nucleobase and Thioethers: Insight into Biological Action","Inorganic Chemistry","2005","44","","122","132","10.1021/ic048967h","","","0.71073","MoKα","","0.0278","0.0238","","","0.0578","0.0597","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308350","9.486","0.002","11.427","0.002","13.972","0.003","102.31","0.03","98.72","0.03","98.82","0.03","1435.3","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","mer-[Trichlorobis(indazole)(9-methyladenine)ruthenium(III)].CH2Cl2.CH3OH","","- C22 H25 Cl5 N9 O Ru -","- C22 H25 Cl5 N9 O Ru -","- C44 H50 Cl10 N18 O2 Ru2 -","2","1","","Alexander Egger; Vladimir B. Arion; Erwin Reisner; Berta Cebrián-Losantos; Sergiu Shova; Günter Trettenhahn; Bernhard K. Keppler","Reactions of Potent Antitumor Complex trans-[RuIIICl4(indazole)2]- with a DNA-Relevant Nucleobase and Thioethers: Insight into Biological Action","Inorganic Chemistry","2005","44","","122","132","10.1021/ic048967h","","","0.71073","MoKα","","0.0471","0.0362","","","0.088","0.0937","","","","","","1.023","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308351","16.7023","0.0005","12.3131","0.0004","14.4857","0.0005","90","","106.121","0.001","90","","2861.94","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl2 N4 O12 Zn2 -","- C24 H30 Cl2 N4 O12 Zn2 -","- C96 H120 Cl8 N16 O48 Zn8 -","4","1","","Bula Dutta; Pradip Bag; Ulrich Flörke; Kamalaksha Nag","Dinuclear Zinc(II) Complexes of Tetraiminodiphenol Macrocycles and Their Interactions with Carboxylate Anions and Amino Acids. Photoluminescence, Equilibria, and Structure","Inorganic Chemistry","2005","44","","147","157","10.1021/ic049056a","","","0.71073","MoKα","","0.0425","0.0334","","","0.0797","0.0822","","","","","","0.99","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308352","14.97","0.001","21.633","0.003","23.159","0.003","90","","90","","90","","7499.9","1.5","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H38 Cl N4 O11 Zn2 -","- C38 H36 Cl N4 O11 Zn2 -","- C304 H288 Cl8 N32 O88 Zn16 -","8","1","","Bula Dutta; Pradip Bag; Ulrich Flörke; Kamalaksha Nag","Dinuclear Zinc(II) Complexes of Tetraiminodiphenol Macrocycles and Their Interactions with Carboxylate Anions and Amino Acids. Photoluminescence, Equilibria, and Structure","Inorganic Chemistry","2005","44","","147","157","10.1021/ic049056a","","","0.71073","MoKα","","0.2588","0.0758","","","0.1555","0.2524","","","","","","0.872","","","","has coordinates,has disorder","179121","2020-10-21","18:00:00",""
"4308353","10.3474","0.0005","19.772","0.0009","14.7902","0.0007","90","","104.991","0.001","90","","2922.9","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Cl N4 O8 Zn2 -","- C28 H33 Cl N4 O8 Zn2 -","- C112 H132 Cl4 N16 O32 Zn8 -","4","1","","Bula Dutta; Pradip Bag; Ulrich Flörke; Kamalaksha Nag","Dinuclear Zinc(II) Complexes of Tetraiminodiphenol Macrocycles and Their Interactions with Carboxylate Anions and Amino Acids. Photoluminescence, Equilibria, and Structure","Inorganic Chemistry","2005","44","","147","157","10.1021/ic049056a","","","0.71073","MoKα","","0.0326","0.0282","","","0.0728","0.0751","","","","","","1.043","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308354","7.3181","0.0012","17.02","0.002","10.5789","0.0017","90","","102.651","0.006","90","","1285.7","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[In2(btc)2(mu-OH)2].2nHpy","","- C28 H20 In2 N2 O14 -","- C28 H18 In2 N2 O14 -","- C56 H36 In4 N4 O28 -","2","1","","Zhengzhong Lin; Feilong Jiang; Lian Chen; Daqiang Yuan; Maochun Hong","New 3-D Chiral Framework of Indium with 1,3,5-Benzenetricarboxylate","Inorganic Chemistry","2005","44","","73","76","10.1021/ic0494962","","","0.71073","MoKα","","0.0747","0.0608","","","0.1301","0.1436","","","","","","1.001","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308355","10.146","0.006","11.319","0.006","7.218","0.003","97.41","0.04","94.74","0.04","73.69","0.05","788","0.7","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cu N2 O10 -","- C14 H8 Cu N2 O10 -","- C28 H16 Cu2 N4 O20 -","2","1","","Shin-ichiro Noro; Hitoshi Miyasaka; Susumu Kitagawa; Tatsuo Wada; Takashi Okubo; Masahiro Yamashita; Tadaoki Mitani","Framework Control by a Metalloligand Having Multicoordination Ability: New Synthetic Approach for Crystal Structures and Magnetic Properties","Inorganic Chemistry","2005","44","","133","146","10.1021/ic049550e","","","0.7107","MoKα","","","0.0402","","","","0.0637","","","","","","1.481","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308356","9.1169","0.0002","25.5635","0.0006","11.4461","0.0002","90","","108.463","0.0013","90","","2530.32","0.09","295","","295","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H29 Cl2 Co N4 O10 -","- C19 H29 Cl2 Co N4 O10 -","- C76 H116 Cl8 Co4 N16 O40 -","4","1","","Zhou, Xiangting; Day, Anthony I.; Edwards, Alison J.; Willis, Anthony C.; Jackson, W. Gregory","Facile C‒H Bond Activation: Synthesis of the N4C Donor Set Pentadentate Ligand 1,4-Bis(2-pyridylmethyl)-1,4-diazacyclononane (dmpdacn) and a Structural Study of Its Alkyl‒Cobalt(III) Complex [Co(dmpdacn-C)(OH2)](ClO4)2·H2O and Its Hydroxylated Derivative [Co(dmpdacnOH-O)Cl](ClO4)2·C3H6O","Inorganic Chemistry","2005","44","2","452","460","10.1021/ic040081q","","","0.71073","MoKα","","","0.0323","","","","0.0386","","","","","","1.0378","","","","has coordinates","210146","2020-10-21","18:00:00",""
"4308357","12.7833","0.0001","11.6372","0.0001","18.5013","0.0002","90","","102.831","0.0004","90","","2683.56","0.04","200","","","","","","","","","","Local laboratory","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H32 Cl3 Co N4 O10 -","- C19 H26 Cl3 Co N4 O9 -","- C76 H104 Cl12 Co4 N16 O36 -","4","1","","Zhou, Xiangting; Day, Anthony I.; Edwards, Alison J.; Willis, Anthony C.; Jackson, W. Gregory","Facile C‒H Bond Activation: Synthesis of the N4C Donor Set Pentadentate Ligand 1,4-Bis(2-pyridylmethyl)-1,4-diazacyclononane (dmpdacn) and a Structural Study of Its Alkyl‒Cobalt(III) Complex [Co(dmpdacn-C)(OH2)](ClO4)2·H2O and Its Hydroxylated Derivative [Co(dmpdacnOH-O)Cl](ClO4)2·C3H6O","Inorganic Chemistry","2005","44","2","452","460","10.1021/ic040081q","","","0.71073","MoKα","","","0.0413","","","","0.0475","","","","","","1.0678","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4308358","13.331","0.003","23.353","0.005","16.478","0.004","90","","94.98","0.02","90","","5111","2","296.2","","296.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H62 Cl4 Co2 N10 O21 -","- C38 H52 Cl4 Co2 N10 O21 -","- C152 H208 Cl16 Co8 N40 O84 -","4","1","","Jackson, W. Gregory; Dickie, Alistair J.; McKeon, Josephine A.; Spiccia, Leone; Brudenell, Suzanne J.; Hockless, David C. R.; Willis, Anthony C.","Synthesis, Structure, and Kinetics and Stereochemistry of Base-Catalyzed Hydrolysis of meso- and rac-[Co2(tmpdtne)Cl2]4+, Bis(pentaamine) Complexes Devoid of Deprotonatable NH Centers","Inorganic Chemistry","2005","44","2","401","409","10.1021/ic0400888","","","1.5418","CuKα","","0.3506","0.0901","","0.127","","0.0764","","","1.5","","","2.096","","","","has coordinates","210147","2020-10-21","18:00:00",""
"4308359","17.02","0.001","15.989","0.001","20.364","0.002","90","","90","","90","","5541.7","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","04216","","","- C36 H30 Fe N2 O2 -","- C36 H30 Fe N2 O2 -","- C288 H240 Fe8 N16 O16 -","8","1","","Crisp, Jeffrey A.; Meredith, M. Brett; Hanusa, Timothy P.; Wang, Guangbin; Brennessel, William W.; Yee, Gordon T.","Bis(1,2,3-trimethylindenyl)iron(III) 2,3-Dicyanonaphtho-1,4-quinonide, a Non-Metallocene, Charge-Transfer Salt Metamagnet with Complementary Donor‒Acceptor Geometries","Inorganic Chemistry","2005","44","2","172","174","10.1021/ic048398d","","","0.71073","MoKα","","0.1472","0.058","","","0.1174","0.1664","","","","","","1.055","","","","has coordinates","210156","2020-10-21","18:00:00",""
"4308360","22.708","0.008","13.753","0.005","15.9","0.006","90","","101.593","0.009","90","","4864","3","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H62 Au Cl Ga N2 P -","- C53 H62 Au Cl Ga N2 P -","- C212 H248 Au4 Cl4 Ga4 N8 P4 -","4","1","","Kempter, Andreas; Gemel, Christian; Fischer, Roland A.","Insertion of Ga(DDP) into the Au‒Cl Bond of (PPh3)AuCl: A First Structurally Characterized Au‒Ga Bond","Inorganic Chemistry","2005","44","2","163","165","10.1021/ic048524d","","","0.71073","MoKα","","0.0751","0.0552","","","0.1324","0.1435","","","","","","1.015","","","","has coordinates","210154","2020-10-21","18:00:00",""
"4308361","13.788","0.002","17.9638","0.0018","25.485","0.002","90","","90","","90","","6312.2","1.2","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H82 Au Cl Ga2 N4 -","- C58 H82 Au Cl Ga2 N4 -","- C232 H328 Au4 Cl4 Ga8 N16 -","4","1","","Kempter, Andreas; Gemel, Christian; Fischer, Roland A.","Insertion of Ga(DDP) into the Au‒Cl Bond of (PPh3)AuCl: A First Structurally Characterized Au‒Ga Bond","Inorganic Chemistry","2005","44","2","163","165","10.1021/ic048524d","","","0.71073","MoKα","","0.0439","0.0362","","","0.076","0.0781","","","","","","0.984","","","","has coordinates","210154","2020-10-21","18:00:00",""
"4308362","13.4356","0.0004","7.233","0.0002","22.4236","0.0004","90","","111.363","0.002","90","","2029.39","0.09","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H60 As2 Mn3 N12 O4 S8 -","- C16 H52 As2 Mn3 N12 O4 S8 -","- C32 H104 As4 Mn6 N24 O8 S16 -","2","0.5","","Fu, Ming-Lai; Guo, Guo-Cong; Cai, Li-Zhen; Zhang, Zhang-Jing; Huang, Jin-Shun","Incorporating Transition Metal Complexes into Tetrathioarsenates(V): Syntheses, Structures, and Properties of Two Unprecedented [Mn(dien)2]n[Mn(dien)AsS4]2n·4nH2O and [Mn(en)3]2[Mn(en)2AsS4][As3S6]","Inorganic Chemistry","2005","44","2","184","186","10.1021/ic048579f","","","0.71073","MoKα","","0.1357","0.0663","","","0.1614","0.2077","","","","","","1.013","","","","has coordinates","210157","2020-10-21","18:00:00",""
"4308363","24.3057","0.001","16.2398","0.0009","15.8639","0.0008","90","","129.082","0.001","90","","4860.7","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H64 As4 Mn3 N16 S10 -","- C16 H64 As4 Mn3 N16 S10 -","- C64 H256 As16 Mn12 N64 S40 -","4","1","","Fu, Ming-Lai; Guo, Guo-Cong; Cai, Li-Zhen; Zhang, Zhang-Jing; Huang, Jin-Shun","Incorporating Transition Metal Complexes into Tetrathioarsenates(V): Syntheses, Structures, and Properties of Two Unprecedented [Mn(dien)2]n[Mn(dien)AsS4]2n·4nH2O and [Mn(en)3]2[Mn(en)2AsS4][As3S6]","Inorganic Chemistry","2005","44","2","184","186","10.1021/ic048579f","","","0.71073","MoKα","","0.1054","0.0663","","","0.15","0.1806","","","","","","1.006","","","","has coordinates","210157","2020-10-21","18:00:00",""
"4308365","18.0936","0.0012","21.312","0.0012","20.8727","0.0019","90","","96.519","0.006","90","","7996.7","1","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H77 Cl15 N4 O12 P4 Pd4 -","- C53 H77 Cl15 N4 O12 P4 Pd4 -","- C212 H308 Cl60 N16 O48 P16 Pd16 -","4","1","","Brasey, Thomas; Scopelliti, Rosario; Severin, Kay","Neutral Metallomacrocycles with Four or Ten (PEt3)Pd(II) Centers","Inorganic Chemistry","2005","44","2","160","162","10.1021/ic048619f","","","0.71073","MoKα","","0.1537","0.1041","","","0.2833","0.3232","","","","","","1.094","","","","has coordinates","210148","2020-10-21","18:00:00",""
"4308366","12.0311","0.0012","15.1306","0.0016","17.1127","0.001","83.932","0.007","82.51","0.007","78.999","0.009","3021.3","0.5","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H86 N4 O9 P4 Pd4 -","- C49 H84 N4 O9 P4 Pd4 -","- C98 H168 N8 O18 P8 Pd8 -","2","1","","Brasey, Thomas; Scopelliti, Rosario; Severin, Kay","Neutral Metallomacrocycles with Four or Ten (PEt3)Pd(II) Centers","Inorganic Chemistry","2005","44","2","160","162","10.1021/ic048619f","","","0.71073","MoKα","","0.1877","0.0668","","","0.1306","0.1581","","","","","","0.961","","","","has coordinates","210148","2020-10-21","18:00:00",""
"4308367","14.7501","0.0015","16.9319","0.0017","17.478","0.002","74.495","0.01","72.735","0.01","84.043","0.008","4015.3","0.8","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H174 Cl22 N10 O20 P10 Pd10 -","- C114 H174 Cl22 N10 O20 P10 Pd10 -","- C114 H174 Cl22 N10 O20 P10 Pd10 -","1","0.5","","Brasey, Thomas; Scopelliti, Rosario; Severin, Kay","Neutral Metallomacrocycles with Four or Ten (PEt3)Pd(II) Centers","Inorganic Chemistry","2005","44","2","160","162","10.1021/ic048619f","","","0.71073","MoKα","","0.1768","0.0752","","","0.162","0.1969","","","","","","0.878","","","","has coordinates","210148","2020-10-21","18:00:00",""
"4308368","18.8716","0.0013","9.5105","0.0007","14.007","0.001","90","","109.65","0.03","90","","2367.6","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cesium uranyl gallium hydroxide phosphate","","","- Cs4 Ga2 O23 P4 U2 -","- Cs4 Ga2 O23 P4 U2 -","- Cs16 Ga8 O92 P16 U8 -","4","1","","Shvareva, Tatiana Y.; Sullens, Tyler A.; Shehee, Thomas C.; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Ion-Exchange Properties of the Three-Dimensional Framework Uranyl Gallium Phosphates, Cs4[(UO2)2(GaOH)2(PO4)4]·H2O and Cs[UO2Ga(PO4)2]","Inorganic Chemistry","2005","44","2","300","305","10.1021/ic048638p","","","0.71073","MoKα","","0.0623","0.0424","","","0.0912","0.0973","","","","","","1.029","","","","has coordinates","210155","2020-10-21","18:00:00",""
"4308369","7.7765","0.0006","8.5043","0.0007","8.9115","0.0007","66.642","0.001","70.563","0.001","84.003","0.002","509.96","0.07","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Cesium Uranyl Gallium Phosphate","","","- Cs Ga O10 P2 U -","- Cs Ga O10 P2 U -","- Cs2 Ga2 O20 P4 U2 -","2","1","","Shvareva, Tatiana Y.; Sullens, Tyler A.; Shehee, Thomas C.; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Ion-Exchange Properties of the Three-Dimensional Framework Uranyl Gallium Phosphates, Cs4[(UO2)2(GaOH)2(PO4)4]·H2O and Cs[UO2Ga(PO4)2]","Inorganic Chemistry","2005","44","2","300","305","10.1021/ic048638p","","","0.71073","MoKα","","0.0326","0.0283","","","0.0613","0.0626","","","","","","0.839","","","","has coordinates","210155","2020-10-21","18:00:00",""
"4308370","16.132","0.004","16.755","0.004","19.004","0.004","90","","91.729","0.004","90","","5134","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H74 Cl3 N9 P6 -","- C42.94 H73.89 Cl3 N9 P6 -","- C171.76 H295.56 Cl12 N36 P24 -","4","1","","Richards, Philip I.; Steiner, Alexander","A Spirocyclic System Comprising Both Phosphazane and Phosphazene Rings","Inorganic Chemistry","2005","44","2","275","281","10.1021/ic048665f","","","0.71073","MoKα","","0.114","0.0829","","","0.2064","0.2303","","","","","","1.055","","","","has coordinates,has disorder","210159","2020-10-21","18:00:00",""
"4308371","11.4414","0.0006","24.2507","0.0014","12.2069","0.0006","90","","108.601","0.001","90","","3210","0.3","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C54 H110 N12 P6 -","- C54 H110 N12 P6 -","- C108 H220 N24 P12 -","2","0.5","","Richards, Philip I.; Steiner, Alexander","A Spirocyclic System Comprising Both Phosphazane and Phosphazene Rings","Inorganic Chemistry","2005","44","2","275","281","10.1021/ic048665f","","","0.71073","MoKα","","0.1102","0.0931","","","0.2539","0.2728","","","","","","1.061","","","","has coordinates,has disorder","210159","2020-10-21","18:00:00",""
"4308372","20.723","0.003","12.771","0.002","19.949","0.003","90","","114.263","0.003","90","","4813.2","1.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H70 Cl4 N9 P3 Sb2 -","- C36 H70 Cl4 N9 P3 Sb2 -","- C144 H280 Cl16 N36 P12 Sb8 -","4","0.5","","Richards, Philip I.; Steiner, Alexander","A Spirocyclic System Comprising Both Phosphazane and Phosphazene Rings","Inorganic Chemistry","2005","44","2","275","281","10.1021/ic048665f","","","0.71073","MoKα","","0.0859","0.0492","","","0.108","0.1198","","","","","","0.949","","","","has coordinates","210159","2020-10-21","18:00:00",""
"4308373","10.043","0.003","11.654","0.003","25.125","0.007","78.358","0.008","78.335","0.008","90.5","0.009","2816.9","1.4","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H80 O1.5 S3 Si7 V -","- C43 H71 O1.5 S3 Si7 V -","- C86 H142 O3 S6 Si14 V2 -","2","1","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis of a Vanadium(III) Tris(arylthiolato) Complex and Its Reactions with Azide and Azo Compounds: Formation of a Sulfenamide Complex via Cleavage of an Azo NN Bond","Inorganic Chemistry","2005","44","2","175","177","10.1021/ic048721c","","","0.7107","MoKα","","","0.052","","","","0.146","","","","","","1.001","","","","has coordinates","210259","2020-10-21","18:00:00",""
"4308374","9.338","0.004","19.654","0.007","21.4","0.009","90","","106.141","0.006","90","","3773","3","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H57 N2 S2 Si4 V -","- C30 H48 N2 S2 Si4 V -","- C120 H192 N8 S8 Si16 V4 -","4","1","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis of a Vanadium(III) Tris(arylthiolato) Complex and Its Reactions with Azide and Azo Compounds: Formation of a Sulfenamide Complex via Cleavage of an Azo NN Bond","Inorganic Chemistry","2005","44","2","175","177","10.1021/ic048721c","","","0.7107","MoKα","","","0.082","","","","0.245","","","","","","1.001","","","","has coordinates","210259","2020-10-21","18:00:00",""
"4308375","12.295","0.003","16.438","0.004","27.386","0.007","90","","99.814","0.003","90","","5454","2","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 N S3 Si6 V -","- C46 H78 N S3 Si6 V -","- C184 H312 N4 S12 Si24 V4 -","4","1","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis of a Vanadium(III) Tris(arylthiolato) Complex and Its Reactions with Azide and Azo Compounds: Formation of a Sulfenamide Complex via Cleavage of an Azo NN Bond","Inorganic Chemistry","2005","44","2","175","177","10.1021/ic048721c","","","0.7107","MoKα","","","0.055","","","","0.154","","","","","","1.001","","","","has coordinates","210259","2020-10-21","18:00:00",""
"4308376","20.069","0.005","9.974","0.002","21.713","0.005","90","","111.376","0.004","90","","4047.3","1.6","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 N2 S2 Si4 V -","- C36 H51 N2 S2 Si4 V -","- C144 H204 N8 S8 Si16 V4 -","4","1","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis of a Vanadium(III) Tris(arylthiolato) Complex and Its Reactions with Azide and Azo Compounds: Formation of a Sulfenamide Complex via Cleavage of an Azo NN Bond","Inorganic Chemistry","2005","44","2","175","177","10.1021/ic048721c","","","0.7107","MoKα","","","0.053","","","","0.107","","","","","","1.014","","","","has coordinates","210259","2020-10-21","18:00:00",""
"4308377","21.9415","0.001","7.7878","0.0003","19.6649","0.0009","90","","90","","90","","3360.3","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H18 N O7 Pr -","- C14 H12 N O7 Pr -","- C112 H96 N8 O56 Pr8 -","8","1","","Daniel T. de Lill; Noel S. Gunning; Christopher L. Cahill","Toward Templated Metal-Organic Frameworks: Synthesis, Structures, Thermal Properties, and Luminescence of Three Novel Lanthanide-Adipate Frameworks","Inorganic Chemistry","2005","44","","258","266","10.1021/ic048755k","","","0.71073","MoKα","","0.0573","0.0434","","","0.0907","0.0962","","","","","","1.091","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308378","8.655","0.0005","9.9366","0.0006","11.717","0.0006","74.71","0.001","69.795","0.001","85.959","0.001","911.96","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 O12 Pr -","- C12 H25 O12 Pr -","- C24 H50 O24 Pr2 -","2","1","","Daniel T. de Lill; Noel S. Gunning; Christopher L. Cahill","Toward Templated Metal-Organic Frameworks: Synthesis, Structures, Thermal Properties, and Luminescence of Three Novel Lanthanide-Adipate Frameworks","Inorganic Chemistry","2005","44","","258","266","10.1021/ic048755k","","","0.71073","MoKα","","0.0401","0.0349","","","0.0661","0.0682","","","","","","1.021","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308379","8.6786","0.0001","10.3831","0.0001","13.6693","0.0002","101.355","0.0007","106.12","0.0007","93.9593","0.0005","1150.11","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H29.12 O14.6 Pr2 -","- C18 H26 O14.6 Pr2 -","- C36 H52 O29.2 Pr4 -","2","1","","Daniel T. de Lill; Noel S. Gunning; Christopher L. Cahill","Toward Templated Metal-Organic Frameworks: Synthesis, Structures, Thermal Properties, and Luminescence of Three Novel Lanthanide-Adipate Frameworks","Inorganic Chemistry","2005","44","","258","266","10.1021/ic048755k","","","0.71073","MoKα","","0.0379","0.0283","","","0.0549","0.0584","","","","","","1.03","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308380","14.7735","0.0015","21.632","0.002","7.545","0.0007","90","","100.815","0.004","90","","2368.4","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N5 O4 Pt S2 -","- C22 H19 N5 O4 Pt S2 -","- C88 H76 N20 O16 Pt4 S8 -","4","1","","Geary, Elaine A. M.; Yellowlees, Lesley J.; Jack, Lorna A.; Oswald, Iain D. H.; Parsons, Simon; Hirata, Narukuni; Durrant, James R.; Robertson, Neil","Synthesis, Structure, and Properties of [Pt(II)(diimine)(dithiolate)] Dyes with 3,3'-, 4,4'-, and 5,5'-Disubstituted Bipyridyl: Applications in Dye-Sensitized Solar Cells","Inorganic Chemistry","2005","44","2","242","250","10.1021/ic048799t","","","0.71073","MoKα","","0.0896","0.0665","","0.0902","0.0751","0.0751","","","","","","1.0402","","","","has coordinates","210280","2020-10-21","18:00:00",""
"4308381","13.0143","0.0004","13.0143","0.0004","26.6298","0.0016","90","","90","","90","","4510.3","0.3","213","2","213","2","","","","","","","","5","P 41","P 4w","76","","","","- C32 H68 N4 O8 Zn4 -","- C32 H68 N4 O8 Zn4 -","- C128 H272 N16 O32 Zn16 -","4","1","","Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes","Inorganic Chemistry","2005","44","2","359","364","10.1021/ic048830r","","","0.71073","MoKα","","0.0292","0.0262","","","0.0607","0.0617","","","","","","0.997","","","","has coordinates","210271","2020-10-21","18:00:00",""
"4308382","13.3038","0.0011","13.3038","0.0011","15.006","0.002","90","","90","","90","","2655.9","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C40 H84 N4 O8 Zn4 -","- C40 H76 N4 O8 Zn4 -","- C80 H152 N8 O16 Zn8 -","2","0.25","","Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes","Inorganic Chemistry","2005","44","2","359","364","10.1021/ic048830r","","","0.71073","MoKα","","0.0411","0.0394","","","0.1102","0.1121","","","","","","1.004","","","","has coordinates,has disorder","210271","2020-10-21","18:00:00",""
"4308383","14.3865","0.0004","14.3865","0.0004","8.8462","0.0005","90","","90","","90","","1830.91","0.13","213","2","213","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C28 H52 N4 O8 Zn4 -","- C28 H52 N4 O8 Zn4 -","- C56 H104 N8 O16 Zn8 -","2","0.25","","Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes","Inorganic Chemistry","2005","44","2","359","364","10.1021/ic048830r","","","0.71073","MoKα","","0.0303","0.0256","","","0.066","0.0685","","","","","","1.007","","","","has coordinates","210271","2020-10-21","18:00:00",""
"4308384","8.9062","0.0005","9.3491","0.0005","18.4682","0.001","90","","91.337","0.001","90","","1537.34","0.15","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 N4 O4 Zn2 -","- C26 H44 N4 O4 Zn2 -","- C52 H88 N8 O8 Zn4 -","2","0.5","","Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes","Inorganic Chemistry","2005","44","2","359","364","10.1021/ic048830r","","","0.71073","MoKα","","0.0407","0.0349","","","0.0836","0.0866","","","","","","1.041","","","","has coordinates","210271","2020-10-21","18:00:00",""
"4308385","9.2058","0.001","9.4827","0.001","10.5975","0.0011","93.746","0.002","114.231","0.002","95.017","0.002","835.15","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 N4 O4 Zn2 -","- C30 H52 N4 O4 Zn2 -","- C30 H52 N4 O4 Zn2 -","1","0.5","","Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes","Inorganic Chemistry","2005","44","2","359","364","10.1021/ic048830r","","","0.71073","MoKα","","0.028","0.0273","","","0.0766","0.077","","","","","","1.05","","","","has coordinates","210271","2020-10-21","18:00:00",""
"4308389","11.012","0.002","18.464","0.004","19.467","0.004","90","","94.86","0.03","90","","3943.9","1.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H56 Au2 Cl2 N4 -","- C43.084 H56.168 Au2 Cl2 N4 -","- C172.336 H224.672 Au8 Cl8 N16 -","4","1","","Abdou, Hanan E.; Mohamed, Ahmed A.; Fackler, John P.","Synthesis and X-ray Structures of Dinuclear and Trinuclear Gold(I) and Dinuclear Gold(II) Amidinate Complexes","Inorganic Chemistry","2005","44","2","166","168","10.1021/ic048855q","","","0.71073","MoKα","","0.0878","0.0689","","","0.1707","0.1931","","","","","","1.015","","","","has coordinates,has disorder","210262","2020-10-21","18:00:00",""
"4308390","7.354","0.006","9.661","0.007","11.421","0.01","81.74","0.05","71.23","0.05","86.07","0.09","760.1","1.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 Au2 N4 -","- C34 H38 Au2 N4 -","- C34 H38 Au2 N4 -","1","0.5","","Abdou, Hanan E.; Mohamed, Ahmed A.; Fackler, John P.","Synthesis and X-ray Structures of Dinuclear and Trinuclear Gold(I) and Dinuclear Gold(II) Amidinate Complexes","Inorganic Chemistry","2005","44","2","166","168","10.1021/ic048855q","","","0.71073","MoKα","","0.0472","0.0465","","","0.1243","0.1253","","","","","","1.044","","","","has coordinates","210262","2020-10-21","18:00:00",""
"4308391","10.8294","0.0006","21.445","0.0013","16.7756","0.001","90","","99.527","0.001","90","","3842.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Au3 Cl N4 S -","- C38 H46 Au3 Cl N4 S -","- C152 H184 Au12 Cl4 N16 S4 -","4","1","","Abdou, Hanan E.; Mohamed, Ahmed A.; Fackler, John P.","Synthesis and X-ray Structures of Dinuclear and Trinuclear Gold(I) and Dinuclear Gold(II) Amidinate Complexes","Inorganic Chemistry","2005","44","2","166","168","10.1021/ic048855q","","","0.71073","MoKα","","0.1546","0.0858","","","0.1671","0.1891","","","","","","1.076","","","","has coordinates","210262","2020-10-21","18:00:00",""
"4308392","10.736","0.002","17.41","0.002","16.933","0.002","90","","95.584","0.002","90","","3150","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl2 N2 O2 Pd -","- C36 H30 Cl2 N2 O2 Pd -","- C144 H120 Cl8 N8 O8 Pd4 -","4","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71069","MoKα","","0.0701","0.0365","","","0.0706","0.0784","","","","","","0.868","","","","has coordinates","210276","2020-10-21","18:00:00",""
"4308393","7.2997","0.0009","18.591","0.002","14.631","0.002","90","","103.959","0.002","90","","1926.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cl2 N2 O4 Pd -","- C42 H42 Cl2 N2 O4 Pd -","- C84 H84 Cl4 N4 O8 Pd2 -","2","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71069","MoKα","","0.0717","0.0619","","","0.1559","0.1588","","","","","","1.244","","","","has coordinates","210276","2020-10-21","18:00:00",""
"4308394","7.6906","0.0003","18.5017","0.0008","14.5046","0.0005","90","","106.166","0.002","90","","1982.24","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Cl2 N2 O4 Pd S2 -","- C40 H42 Cl2 N2 O4 Pd S2 -","- C80 H84 Cl4 N4 O8 Pd2 S4 -","2","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71073","MoKα","","0.0411","0.0307","","","0.0881","0.0933","","","","","","1.042","","","","has coordinates","210276","2020-10-21","18:00:00",""
"4308395","7.9754","0.0007","11.22","0.001","11.543","0.001","100.534","0.002","96.889","0.002","98.944","0.002","991.38","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 Cl2 N2 O4 Pd -","- C44 H46 Cl2 N2 O4 Pd -","- C44 H46 Cl2 N2 O4 Pd -","1","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71069","MoKα","","0.0275","0.025","","","0.0684","0.0711","","","","","","1.078","","","","has coordinates","210276","2020-10-21","18:00:00",""
"4308396","7.191","0.008","15.06","0.02","18.84","0.02","90","","88.17","0.02","90","","2039","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl2 N4 O4 Pd -","- C42 H42 Cl2 N4 O4 Pd -","- C84 H84 Cl4 N8 O8 Pd2 -","2","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71073","MoKα","","0.1346","0.1204","","","0.3252","0.3312","","","","","","1.231","","","","has coordinates","210276","2020-10-21","18:00:00",""
"4308397","10.82","0.004","17.386","0.009","16.85","0.02","90","","94.12","0.05","90","","3162","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 Cl N2 O2 Pd -","- C37 H33 Cl N2 O2 Pd -","- C148 H132 Cl4 N8 O8 Pd4 -","4","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71073","MoKα","","0.1651","0.0623","","","0.1325","0.1788","","","","","","0.86","","","","has coordinates,has disorder","210276","2020-10-21","18:00:00",""
"4308398","8.027","0.003","11.255","0.003","11.55","0.002","100.41","0.03","96.37","0.03","98.95","0.04","1003.4","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H49 Cl N2 O4 Pd -","- C45 H49 Cl N2 O4 Pd -","- C45 H49 Cl N2 O4 Pd -","1","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71073","MoKα","","0.0936","0.0464","","","0.0819","0.0955","","","","","","0.858","","","","has coordinates","210276","2020-10-21","18:00:00",""
"4308399","7.4639","0.0008","11.471","0.0008","11.7479","0.0008","101.948","0.001","95.957","0.001","96.19","0.001","970.05","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H45 Cl N2 O4 Pd -","- C43 H45 Cl N2 O4 Pd -","- C43 H45 Cl N2 O4 Pd -","1","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71073","MoKα","","0.0389","0.0377","","","0.1051","0.1064","","","","","","0.931","","","","has coordinates","210276","2020-10-21","18:00:00",""
"4308400","7.569","0.002","9.995","0.002","12.394","0.003","89.584","0.004","88.114","0.004","80.596","0.003","924.5","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H36 N2 O6 Pd -","- C40 H36 N2 O6 Pd -","- C40 H36 N2 O6 Pd -","1","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71069","MoKα","","0.098","0.0834","","","0.2107","0.2343","","","","","","1.131","","","","has coordinates","210276","2020-10-21","18:00:00",""
"4308401","7.9303","0.0005","11.1789","0.0007","11.8089","0.0007","84.133","0.001","88.154","0.001","77.393","0.0009","1016.24","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H44 N2 O7 Pd -","- C44 H44 N2 O7 Pd -","- C44 H44 N2 O7 Pd -","1","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71073","MoKα","","0.0361","0.0315","","","0.0705","0.0729","","","","","","0.944","","","","has coordinates","210276","2020-10-21","18:00:00",""
"4308402","43.335","0.009","12.353","0.003","14.795","0.003","90","","90","","90","","7920","3","185","2","185","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- As2 Ce K7.5 O144.5 W34 -","- As2 Ce K7.5 O144.5 W34 -","- As4 Ce2 K15 O289 W68 -","2","0.5","","Belai, Nebebech; Dickman, Michael H.; Pope, Michael T.; Contant, Roland; Keita, Bineta; Mbomekalle, Israel-Martyr; Nadjo, Louis","Confirmation of the Semivacant Wells–Dawson Polyoxotungstate Skeleton. The Structures of [Ce{X(H4)W17O61}2]19- (X = P, As) Indicate the Probable Location of Internal Protons","Inorganic Chemistry","2005","44","2","169","171","10.1021/ic048920w","","","0.71073","MoKα","","0.0856","0.0589","","","0.1343","0.1444","","","","","","1.066","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308403","43.477","0.016","12.427","0.005","14.861","0.006","90","","90","","90","","8029","5","182","2","182","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Ce K10 O141.6 P2 W34 -","- Ce K10 O141.6 P2 W34 -","- Ce2 K20 O283.2 P4 W68 -","2","0.5","","Belai, Nebebech; Dickman, Michael H.; Pope, Michael T.; Contant, Roland; Keita, Bineta; Mbomekalle, Israel-Martyr; Nadjo, Louis","Confirmation of the Semivacant Wells–Dawson Polyoxotungstate Skeleton. The Structures of [Ce{X(H4)W17O61}2]19- (X = P, As) Indicate the Probable Location of Internal Protons","Inorganic Chemistry","2005","44","2","169","171","10.1021/ic048920w","","","0.71073","MoKα","","0.0825","0.0711","","","0.1681","0.1738","","","","","","1.076","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308404","12.4937","0.0012","12.9888","0.0013","14.2417","0.0014","100.938","0.002","91.761","0.002","111.092","0.002","2104.7","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H34 Br2 Co N6 O5.5 S -","- C9 H34 Br2 Co N6 O5.5 S -","- C36 H136 Br8 Co4 N24 O22 S4 -","4","2","","Sisley, Margaret J.; Ferguson, Michael J.; Jordan, Robert B.","Reaction of Thiols with N-Bonded Sulfenamide Complexes of Cobalt(III): Steric Effect and Reaction Pathway","Inorganic Chemistry","2005","44","2","293","299","10.1021/ic048926l","","","0.71073","MoKα","","0.1005","0.0519","","","0.1018","0.1159","","","","","","0.953","","","","has coordinates,has disorder","210257","2020-10-21","18:00:00",""
"4308405","11.565","0.0002","15.082","0.0002","18.861","0.0003","90","","90","","90","","3289.8","0.09","90","0.2","90","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H46 Mn2 N18 O3 W -","- C18 H46 Mn2 N18 O3 W -","- C72 H184 Mn8 N72 O12 W4 -","4","1","","Withers, Jeffrey R.; Ruschmann, Chad; Bojang, Pasano; Parkin, Sean; Holmes, Stephen M.","Synthesis and Structural Characterization of Bi- and Trimetallic Octacyanometalate(IV) Complexes: [Δ,Λ-MII(en)3][cis-MII(en)2(OH2)][MIV(CN)8]·2H2O and [cis-MII(en)2(OH2)]2[(μ-NC)2MIV(CN)6]·4H2O (MII= Mn, Co, Ni; MIV= Mo, W)","Inorganic Chemistry","2005","44","2","352","358","10.1021/ic048936m","","","0.71073","MoKα","","0.0299","0.0245","","","0.0426","0.0439","","","","","","1.031","","","","has coordinates","210264","2020-10-21","18:00:00",""
"4308406","17.1162","0.0003","11.0546","0.0002","17.6671","0.0003","90","","108.783","0.006","90","","3164.82","0.15","90","2","90","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H22 Co N8 O3 W0.5 -","- C8 H22 Co N8 O3 W0.5 -","- C64 H176 Co8 N64 O24 W4 -","8","1","","Withers, Jeffrey R.; Ruschmann, Chad; Bojang, Pasano; Parkin, Sean; Holmes, Stephen M.","Synthesis and Structural Characterization of Bi- and Trimetallic Octacyanometalate(IV) Complexes: [Δ,Λ-MII(en)3][cis-MII(en)2(OH2)][MIV(CN)8]·2H2O and [cis-MII(en)2(OH2)]2[(μ-NC)2MIV(CN)6]·4H2O (MII= Mn, Co, Ni; MIV= Mo, W)","Inorganic Chemistry","2005","44","2","352","358","10.1021/ic048936m","","","0.71073","MoKα","","0.0236","0.02","","","0.0423","0.043","","","","","","1.041","","","","has coordinates","210264","2020-10-21","18:00:00",""
"4308407","11.5576","0.0004","14.9065","0.0006","18.7669","0.0008","90","","90","","90","","3233.2","0.2","90","0.2","90","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H46 Mo N18 Ni2 O3 -","- C18 H46 Mo N18 Ni2 O3 -","- C72 H184 Mo4 N72 Ni8 O12 -","4","1","","Withers, Jeffrey R.; Ruschmann, Chad; Bojang, Pasano; Parkin, Sean; Holmes, Stephen M.","Synthesis and Structural Characterization of Bi- and Trimetallic Octacyanometalate(IV) Complexes: [Δ,Λ-MII(en)3][cis-MII(en)2(OH2)][MIV(CN)8]·2H2O and [cis-MII(en)2(OH2)]2[(μ-NC)2MIV(CN)6]·4H2O (MII= Mn, Co, Ni; MIV= Mo, W)","Inorganic Chemistry","2005","44","2","352","358","10.1021/ic048936m","","","0.71073","MoKα","","0.0673","0.0402","","","0.0564","0.062","","","","","","0.982","","","","has coordinates","210264","2020-10-21","18:00:00",""
"4308408","11.5576","0.0004","14.9065","0.0006","18.7669","0.0008","90","","90","","90","","3233.2","0.2","90","0.2","90","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H46 N18 Ni2 O3 W -","- C18 H44 N18 Ni2 O3 W -","- C72 H176 N72 Ni8 O12 W4 -","4","1","","Withers, Jeffrey R.; Ruschmann, Chad; Bojang, Pasano; Parkin, Sean; Holmes, Stephen M.","Synthesis and Structural Characterization of Bi- and Trimetallic Octacyanometalate(IV) Complexes: [Δ,Λ-MII(en)3][cis-MII(en)2(OH2)][MIV(CN)8]·2H2O and [cis-MII(en)2(OH2)]2[(μ-NC)2MIV(CN)6]·4H2O (MII= Mn, Co, Ni; MIV= Mo, W)","Inorganic Chemistry","2005","44","2","352","358","10.1021/ic048936m","","","0.71073","MoKα","","0.0553","0.0388","","","0.0696","0.0748","","","","","","0.974","","","","has coordinates","210264","2020-10-21","18:00:00",""
"4308409","17.0725","0.0004","11.0054","0.0003","17.5905","0.0005","90","","108.695","0.001","90","","3130.69","0.14","90","0.2","90","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H44 Mo N16 Ni2 O6 -","- C16 H44 Mo N16 Ni2 O6 -","- C64 H176 Mo4 N64 Ni8 O24 -","4","0.5","","Withers, Jeffrey R.; Ruschmann, Chad; Bojang, Pasano; Parkin, Sean; Holmes, Stephen M.","Synthesis and Structural Characterization of Bi- and Trimetallic Octacyanometalate(IV) Complexes: [Δ,Λ-MII(en)3][cis-MII(en)2(OH2)][MIV(CN)8]·2H2O and [cis-MII(en)2(OH2)]2[(μ-NC)2MIV(CN)6]·4H2O (MII= Mn, Co, Ni; MIV= Mo, W)","Inorganic Chemistry","2005","44","2","352","358","10.1021/ic048936m","","","0.71073","MoKα","","0.0386","0.0262","","","0.0567","0.0603","","","","","","1.07","","","","has coordinates","210264","2020-10-21","18:00:00",""
"4308410","9.6451","0.001","10.4805","0.001","12.589","0.0013","71.869","0.002","76.127","0.002","66.9","0.002","1102.29","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis((2,2'-bipyridine-kappa$2!N)(N-(4-methyl-2-pyridyl-kappaN)- (4-methylphenyl)sulfonamido-kappaN)silver(i))","Bis[(2,2'-bipyridine-κ^2^N)[N-(4-methyl-2-pyridyl-κN)- (4-methylphenyl)sulfonamido-κN]silver(I)]","","- C23 H21 Ag N4 O2 S -","- C23 H21 Ag N4 O2 S -","- C46 H42 Ag2 N8 O4 S2 -","2","1","","Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio","Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes","Inorganic Chemistry","2005","44","2","336","351","10.1021/ic0490268","","","0.71073","MoKα","","0.0556","0.0392","","","0.0788","0.0827","","","","","","0.895","","","","has coordinates","210144","2020-10-21","18:00:00",""
"4308411","10.8901","0.0009","15.5093","0.0013","15.8472","0.0014","90","","102.689","0.002","90","","2611.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(4-methylphenyl)sulfonyl)-imino-1H-4-methyl-2-pyridine","(4-methylphenyl)sulfonyl]-imino-1H-4-methyl-2-pyridine","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C104 H112 N16 O16 S8 -","8","2","","Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio","Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes","Inorganic Chemistry","2005","44","2","336","351","10.1021/ic0490268","","","0.71073","MoKα","","0.1905","0.0447","","","0.0619","0.0774","","","","","","0.806","","","","has coordinates","210144","2020-10-21","18:00:00",""
"4308412","6.2951","0.0006","8.2405","0.0008","13.7554","0.0013","95.041","0.002","94.465","0.002","102.787","0.002","689.68","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Catena ((N-(3-methyl-2-pyridyl-kappaN)-(4- methylphenyl)sulfonamido-kappaN)silver(i))","Catena [[N-(3-methyl-2-pyridyl-κN)- (4-methylphenyl)sulfonamido-κN]silver(I)]","","- C13 H13 Ag N2 O2 S -","- C13 H13 Ag N2 O2 S -","- C26 H26 Ag2 N4 O4 S2 -","2","1","","Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio","Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes","Inorganic Chemistry","2005","44","2","336","351","10.1021/ic0490268","","","0.71073","MoKα","","0.0543","0.041","","","0.0997","0.1038","","","","","","0.955","","","","has coordinates","210144","2020-10-21","18:00:00",""
"4308413","7.96","0.006","8.294","0.006","12.598","0.01","97.131","0.015","93.498","0.014","108.003","0.015","780.5","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Catena ((N-(3-methyl-2-pyridyl-kappaN)-(2,4,6- trimethylphenyl)sulfonamido-kappaN)silver(i))","Catena [[N-(3-methyl-2-pyridyl-κN)- (2,4,6-trimethylphenyl)sulfonamido-κN]silver(I)]","","- C15 H17 Ag N2 O2 S -","- C15 H17 Ag N2 O2 S -","- C30 H34 Ag2 N4 O4 S2 -","2","1","","Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio","Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes","Inorganic Chemistry","2005","44","2","336","351","10.1021/ic0490268","","","0.71073","MoKα","","0.1219","0.0818","","","0.1886","0.2056","","","","","","0.917","","","","has coordinates","210144","2020-10-21","18:00:00",""
"4308414","32.464","0.004","58.645","0.007","13.3568","0.0014","90","","90","","90","","25429","5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","Tetrakis((N-(3-methyl-2-pyridyl-kappaN)-(2,4,6- trimethylphenyl)sulfonamido-kappaN)silver(i))","Tetrakis[[N-(3-methyl-2-pyridyl-κN)- (2,4,6-trimethylphenyl)sulfonamido-κN]silver(I)]","","- C60 H68 Ag4 N8 O8 S4 -","- C60 H68 Ag4 N8 O8 S4 -","- C960 H1088 Ag64 N128 O128 S64 -","16","1","","Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio","Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes","Inorganic Chemistry","2005","44","2","336","351","10.1021/ic0490268","","","0.71073","MoKα","","0.1413","0.0398","","","0.0459","0.0609","","","","","","0.645","","","","has coordinates","210144","2020-10-21","18:00:00",""
"4308415","15.6997","0.0013","15.6997","0.0013","25.219","0.003","90","","90","","90","","6216","1","293","2","293","2","","","","","","","","6","I 41/a :1","I 4bw -1bw","88","Tetrakis((N-(6-methyl-2-pyridyl-kappaN)-(2,4,6- trimethylphenyl)sulfonamido-kappaN)silver(i))","Tetrakis[[N-(6-methyl-2-pyridyl-κN)- (2,4,6-trimethylphenyl)sulfonamido-κN]silver(I)]","","- C60 H68 Ag4 N8 O8 S4 -","- C60 H68 Ag4 N8 O8 S4 -","- C240 H272 Ag16 N32 O32 S16 -","4","0.25","","Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio","Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes","Inorganic Chemistry","2005","44","2","336","351","10.1021/ic0490268","","","0.71073","MoKα","","0.1991","0.0407","","","0.0463","0.0642","","","","","","0.73","","","","has coordinates","210144","2020-10-21","18:00:00",""
"4308416","24.007","0.004","6.9006","0.0012","21.052","0.004","90","","115.226","0.004","90","","3154.9","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis((N-(6-methyl-2-pyridyl-kappaN)-(2,4,6- trimethylphenyl)sulfonamido-kappaN)silver(i))","Bis[[N-(6-methyl-2-pyridyl-κN)- (2,4,6-trimethylphenyl)sulfonamido-κN]silver(I)]","","- C15 H17 Ag N2 O2 S -","- C15 H17 Ag N2 O2 S -","- C120 H136 Ag8 N16 O16 S8 -","8","1","","Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio","Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes","Inorganic Chemistry","2005","44","2","336","351","10.1021/ic0490268","","","0.71073","MoKα","","0.1551","0.0422","","","0.0481","0.059","","","","","","0.8","","","","has coordinates","210144","2020-10-21","18:00:00",""
"4308417","10.6773","0.0012","10.8816","0.0011","12.1176","0.0012","84.481","0.003","88.17","0.003","62.599","0.002","1244","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis((1,10-phenanthrolina-kappa$2!N)(N-(3-methyl-2-pyridyl- kappaN)-(2,4,6-trimethylphenyl)sulfonamido-kappaN)silver(i))","Bis[(1,10-phenanthrolina-κ^2^N)[N-(3-methyl-2-pyridyl-κN)- (2,4,6-trimethylphenyl)sulfonamido-κN]silver(I)]","","- C27 H25 Ag N4 O2 S -","- C27 H25 Ag N4 O2 S -","- C54 H50 Ag2 N8 O4 S2 -","2","1","","Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio","Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes","Inorganic Chemistry","2005","44","2","336","351","10.1021/ic0490268","","","0.71073","MoKα","","0.1713","0.0505","","","0.0634","0.0812","","","","","","0.703","","","","has coordinates","210144","2020-10-21","18:00:00",""
"4308418","10.3032","0.0013","13.0738","0.0018","17.166","0.003","77.842","0.005","75.228","0.004","89.953","0.013","2182.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(1,10-Phenanthrolina-kappa$2!N)Bis((N-(6-methyl-2-pyridyl- kappaN)-(2,4,6-trimethylphenyl)sulfonamido-kappaN)silver(i))","(1,10-Phenanthrolina-κ^2^N)Bis[[N-(6-methyl-2-pyridyl-κN)- (2,4,6-trimethylphenyl)sulfonamido-κN]silver(I)]","","- C42 H42 Ag2 N6 O4 S2 -","- C42 H42 Ag2 N6 O4 S2 -","- C84 H84 Ag4 N12 O8 S4 -","2","1","","Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio","Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes","Inorganic Chemistry","2005","44","2","336","351","10.1021/ic0490268","","","0.71073","MoKα","","0.1958","0.0608","","","0.1184","0.1362","","","","","","0.854","","","","has coordinates","210144","2020-10-21","18:00:00",""
"4308419","14.876","0.003","33.018","0.006","11.437","0.002","90","","108.182","0.003","90","","5337.1","1.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H75 Br6 Cd Cu4 N11 O12 -","- C25 H73 Br6 Cd Cu4 N11 O12 -","- C100 H292 Br24 Cd4 Cu16 N44 O48 -","4","1","","Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.; Jezierska, Julia; Brunel, Louis C.; Ozarowski, Andrew","High-Frequency, High-Field EPR; Magnetic Susceptibility; and X-ray Studies on a Ferromagnetic Heterometallic Complex of Diethanolamine (H2L), [Cu4(NH3)4(HL)4][CdBr4]Br2·3dmf·H2O","Inorganic Chemistry","2005","44","2","206","216","10.1021/ic049044p","","","0.71073","MoKα","","0.093","0.068","","0.134","","0.123","","","1.189","","","1.257","","","","has coordinates","210265","2020-10-21","18:00:00",""
"4308420","8.2851","0.0004","24.0826","0.0009","17.9576","0.0009","90","","100.144","0.004","90","","3527","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cl Mn N2 O8 -","- C40 H32 Cl Mn N2 O8 -","- C160 H128 Cl4 Mn4 N8 O32 -","4","1","","Aromí, Guillem; Telser, Joshua; Ozarowski, Andrew; Brunel, Louis-Claude; Stoeckli-Evans, Helen-Margaret; Krzystek, J.","Synthesis, Crystal Structure, and High-Precision High-Frequency and -Field Electron Paramagnetic Resonance Investigation of a Manganese(III) Complex: [Mn(dbm)2(py)2](ClO4)","Inorganic Chemistry","2005","44","2","187","196","10.1021/ic049180u","","","0.71073","MoKα","","0.0449","0.0367","","","0.0935","0.0972","","","","","","1.141","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308421","9.522","0.012","16.6","0.02","14.844","0.018","90","","100.16","0.02","90","","2310","5","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H44 Cl2 N6 Ni O10 -","- C50 H44 Cl2 N6 Ni O10 -","- C100 H88 Cl4 N12 Ni2 O20 -","2","1","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.0888","0.0662","","","0.1482","0.1566","","","","","","1.06","","","","has coordinates,has disorder","210267","2020-10-21","18:00:00",""
"4308422","10.2115","0.0004","10.2115","0.0004","43.848","0.003","90","","90","","90","","4572.2","0.4","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","","","- C50 H45 Cl2 N6 Ni2 O10 -","- C50 H45 Cl2 N6 Ni2 O10 -","- C200 H180 Cl8 N24 Ni8 O40 -","4","1","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.0514","0.0458","","","0.0993","0.1174","","","","","","1.051","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4308423","13.3272","0.001","11.3083","0.0008","15.0979","0.0011","90","","98.027","0.001","90","","2253.1","0.3","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H44 Cl2 N4 O12 Zn -","- C48 H44 Cl2 N4 O12 Zn -","- C96 H88 Cl4 N8 O24 Zn2 -","2","1","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.065","0.056","","","0.1406","0.1486","","","","","","1.045","","","","has coordinates,has disorder","210267","2020-10-21","18:00:00",""
"4308424","9.6972","0.0008","10.4822","0.0008","45.648","0.003","90","","90","","90","","4640","0.6","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","am169","","","- C50 H44 Cl2 Cu2 N6 O10 -","- C50 H44 Cl2 Cu2 N6 O10 -","- C200 H176 Cl8 Cu8 N24 O40 -","4","1","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","1.54178","CuKα","","0.0398","0.0354","","","0.0841","0.0857","","","","","","1.026","","","","has coordinates","210267","2020-10-21","18:00:00",""
"4308425","16.97","0.005","19.821","0.005","23.093","0.005","90","0.005","90","0.005","90","0.005","7768","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H91 Cl4 Co4 N8 O30 -","- C68 H91 Cl4 Co4 N8 O30 -","- C272 H364 Cl16 Co16 N32 O120 -","4","1","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.3157","0.0887","","","0.1694","0.235","","","","","","1.064","","","","has coordinates","210267","2020-10-21","18:00:00",""
"4308426","11.593","0.003","12.366","0.003","14.88","0.004","67.814","0.004","67.952","0.004","88.071","0.004","1816.2","0.8","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C34.5 H43.5 N6 O4.75 Pb S2 -","- C34.5 H43.5 N6 O4.75 Pb S2 -","- C69 H87 N12 O9.5 Pb2 S4 -","2","2","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.0349","0.0307","","","0.0751","0.0769","","","","","","1.123","","","","has coordinates","210267","2020-10-21","18:00:00",""
"4308427","13.7823","0.0009","29.0273","0.0019","16.107","0.0011","90","","100.82","0.001","90","","6329.3","0.7","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C73.25 H67.88 N8.13 O3.5 -","- C73.25 H67.875 N8.125 O3.5 -","- C293 H271.5 N32.5 O14 -","4","2","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.1052","0.0656","","","0.1605","0.1974","","","","","","1.003","","","","has coordinates,has disorder","210267","2020-10-21","18:00:00",""
"4308428","12.011","0.004","18.521","0.007","22.708","0.008","90","","90","","90","","5052","3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H24 N2 O2 -","- C34 H24 N2 O2 -","- C272 H192 N16 O16 -","8","2","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.069","0.0491","","","0.1093","0.12","","","","","","0.945","","","","has coordinates","210267","2020-10-21","18:00:00",""
"4308429","8.4384","0.0004","12.2522","0.0007","22.1306","0.0011","80.526","0.001","79.922","0.001","83.177","0.001","2212.5","0.2","143","2","143","2","","","","","","","","6","P -1","-P 1","2","[Ni2(o-xyl-DMC2)(CO3)](ClO4)2(C2H5)2O(CH3)2CO","","","- C73 H140 Cl4 N16 Ni4 O24 -","- C36.5 H70 Cl2 N8 Ni2 O11.97 -","- C73 H140 Cl4 N16 Ni4 O23.94 -","2","1","","Newell, Rachel; Appel, Aaron; DuBois, D. L.; Rakowski DuBois, Mary","Studies of Bicarbonate Binding by Dinuclear and Mononuclear Ni(II) Complexes","Inorganic Chemistry","2005","44","2","365","373","10.1021/ic049202c","","","0.71073","MoKα","","0.1121","0.0729","","","0.1829","0.2034","","","","","","1.022","","","","has coordinates,has disorder","210277","2020-10-21","18:00:00",""
"4308430","20.8363","0.0012","11.9546","0.0007","16.4577","0.0009","90","","117.285","0.001","90","","3643.3","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H18 Ga2.5 N3 Ni0.5 O17 P3.5 -","- C4 Ga2.758 N3 Ni0.24 O17 P3.5 -","- C32 Ga22.064 N24 Ni1.92 O136 P28 -","8","1","","Lin, Chia-Her; Wang, Sue-Lein","New Titanium and Nickel Gallophosphates with Layered Structures","Inorganic Chemistry","2005","44","2","251","257","10.1021/ic0494556","","","0.71073","MoKα","","0.0452","0.0424","","","0.1253","0.1273","","","","","","1.048","","","","has coordinates","210150","2020-10-21","18:00:00",""
"4308431","20.842","0.003","11.968","0.002","16.512","0.003","90","","117.052","0.003","90","","3668.1","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H17 Ga3 N3 O17 P3.5 -","- C4 H4 Ga3 N3 O17 P3.5 -","- C32 H32 Ga24 N24 O136 P28 -","8","1","","Lin, Chia-Her; Wang, Sue-Lein","New Titanium and Nickel Gallophosphates with Layered Structures","Inorganic Chemistry","2005","44","2","251","257","10.1021/ic0494556","","","0.71073","MoKα","","0.0601","0.0415","","","0.1133","0.1179","","","","","","0.952","","","","has coordinates","210150","2020-10-21","18:00:00",""
"4308432","25.692","0.002","9.6552","0.0008","9.8418","0.0008","90","","96.737","0.002","90","","2424.5","0.3","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H48 Ga5.48 N6 O46 P10 Ti2.52 -","- C12 H48 Ga5.474 N6 O46 P10 Ti2.526 -","- C24 H96 Ga10.948 N12 O92 P20 Ti5.052 -","2","0.5","","Lin, Chia-Her; Wang, Sue-Lein","New Titanium and Nickel Gallophosphates with Layered Structures","Inorganic Chemistry","2005","44","2","251","257","10.1021/ic0494556","","","0.71073","MoKα","","0.0525","0.0399","","","0.1048","0.1136","","","","","","1.095","","","","has coordinates","210150","2020-10-21","18:00:00",""
"4308433","25.8547","0.0014","9.6124","0.0005","9.7184","0.0005","90","","96.87","0.001","90","","2397.9","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H48 Ga8 N6 O46 P10 -","- C6 H22 Ga4 N3 O22.995 P5 -","- C24 H88 Ga16 N12 O91.98 P20 -","4","1","","Lin, Chia-Her; Wang, Sue-Lein","New Titanium and Nickel Gallophosphates with Layered Structures","Inorganic Chemistry","2005","44","2","251","257","10.1021/ic0494556","","","0.71073","MoKα","","0.0377","0.0288","","","0.0746","0.0774","","","","","","1.06","","","","has coordinates","210150","2020-10-21","18:00:00",""
"4308434","13.8024","0.0006","20.8587","0.0008","14.2894","0.0005","90","","114.76","0.01","90","","3735.7","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cu2 F24 O14 -","- C12 H7.785 Cu F12 O7 -","- C96 H62.28 Cu8 F96 O56 -","8","2","","Visintin, Pamela M.; Bessel, Carol A.; White, Peter S.; Schauer, Cynthia K.; DeSimone, Joseph M.","Oxidative Dissolution of Copper and Zinc Metal in Carbon Dioxide with tert-Butyl Peracetate and a β-Diketone Chelating Agent","Inorganic Chemistry","2005","44","2","316","324","10.1021/ic049765o","","","0.71073","MoKα","","0.1032","0.0564","","","0.1645","0.2024","","","","","","1.044","","","","has coordinates","210278","2020-10-21","18:00:00",""
"4308435","21.4274","0.0024","7.4996","0.0008","23.8542","0.0025","90","","90","","90","","3833.3","0.7","173","","173","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C12 H5 F12 O7 Zn -","- C12 H5 F12 O7 Zn -","- C96 H40 F96 O56 Zn8 -","8","","","Visintin, Pamela M.; Bessel, Carol A.; White, Peter S.; Schauer, Cynthia K.; DeSimone, Joseph M.","Oxidative Dissolution of Copper and Zinc Metal in Carbon Dioxide with tert-Butyl Peracetate and a β-Diketone Chelating Agent","Inorganic Chemistry","2005","44","2","316","324","10.1021/ic049765o","","","0.71073","MolybdenumKα","","0.085","0.066","","0.128","0.096","","","","","3.47","3.47","","","","","has coordinates","210278","2020-10-21","18:00:00",""
"4308436","13.983","0.01","16.105","0.011","18.54","0.01","90","","114.02","0.008","90","","3814","4","212.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 B F5 N6 S Zn -","- C33 B F5 N6 S Zn -","- C132 B4 F20 N24 S4 Zn4 -","4","1","","Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Miyashita, Yoshitaro; Okamoto, Ken-ichi","Structural and Spectroscopic Characterization of First-Row Transition Metal(II) Substituted Blue Copper Model Complexes with Hydrotris(pyrazolyl)borate+","Inorganic Chemistry","2005","44","2","325","335","10.1021/ic049814x","","","0.7107","MoKα","","","0.077","","","","0.081","","","","","","2.646","","","","has coordinates","210140","2020-10-21","18:00:00",""
"4308437","9.905","0.005","16.032","0.007","25.508","0.012","90","","90.591","0.006","90","","4050","3","212.1","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 B Cl2 F5 Mn N6 S -","- C34 B Cl2 F5 Mn N6 S -","- C136 B4 Cl8 F20 Mn4 N24 S4 -","4","1","","Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Miyashita, Yoshitaro; Okamoto, Ken-ichi","Structural and Spectroscopic Characterization of First-Row Transition Metal(II) Substituted Blue Copper Model Complexes with Hydrotris(pyrazolyl)borate+","Inorganic Chemistry","2005","44","2","325","335","10.1021/ic049814x","","","0.7107","MoKα","","","0.067","","","","0.063","","","","","","1.552","","","","has coordinates","210140","2020-10-21","18:00:00",""
"4308438","21.843","0.011","9.461","0.004","21.893","0.011","90","","99.35","0.007","90","","4464","4","212.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 B F5 Fe N6 S -","- C40 B F5 Fe N6 S -","- C160 B4 F20 Fe4 N24 S4 -","4","1","","Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Miyashita, Yoshitaro; Okamoto, Ken-ichi","Structural and Spectroscopic Characterization of First-Row Transition Metal(II) Substituted Blue Copper Model Complexes with Hydrotris(pyrazolyl)borate+","Inorganic Chemistry","2005","44","2","325","335","10.1021/ic049814x","","","0.7107","MoKα","","","0.063","","","","0.057","","","","","","1.792","","","","has coordinates","210140","2020-10-21","18:00:00",""
"4308439","9.378","0.003","16.873","0.006","27.892","0.01","80.852","0.008","79.621","0.009","79.401","0.01","4231","3","184.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C36.75 H54.5 B Cl0.5 Co F5 N6 S -","- C36.75 B Cl0.5 Co F5 N6 S -","- C147 B4 Cl2 Co4 F20 N24 S4 -","4","2","","Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Miyashita, Yoshitaro; Okamoto, Ken-ichi","Structural and Spectroscopic Characterization of First-Row Transition Metal(II) Substituted Blue Copper Model Complexes with Hydrotris(pyrazolyl)borate+","Inorganic Chemistry","2005","44","2","325","335","10.1021/ic049814x","","","0.7107","MoKα","","","0.074","","","","0.084","","","","","","3.92","","","","has coordinates","210140","2020-10-21","18:00:00",""
"4308440","9.417","0.002","17.684","0.005","27.748","0.008","79.623","0.008","80.841","0.009","68.873","0.007","4217.4","1.9","184.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C36.75 H54.5 B Cl0.5 F5 N6 Ni S -","- C36.75 B Cl0.5 F5 N6 Ni S -","- C147 B4 Cl2 F20 N24 Ni4 S4 -","4","2","","Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Miyashita, Yoshitaro; Okamoto, Ken-ichi","Structural and Spectroscopic Characterization of First-Row Transition Metal(II) Substituted Blue Copper Model Complexes with Hydrotris(pyrazolyl)borate+","Inorganic Chemistry","2005","44","2","325","335","10.1021/ic049814x","","","0.7107","MoKα","","","0.068","","","","0.073","","","","","","2.553","","","","has coordinates","210140","2020-10-21","18:00:00",""
"4308441","19.8742","0.0008","19.8742","0.0008","19.8742","0.0008","90","","90","","90","","7850","0.5","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cu24 Ga53.57 Mg35.12 -","- Cu24 Ga53.568 Mg35.12 -","- Cu96 Ga214.272 Mg140.48 -","4","0.0208333","","Qisheng Lin; John D. Corbett","Mg35Cu24Ga53: A Three-Dimensional Cubic Network Composed of Interconnected Cu6Ga6 Icosahedra, Mg-Centered Ga16 Icosioctahedra, and a Magnesium Lattice","Inorganic Chemistry","2005","44","","512","518","10.1021/ic040075u","","","0.71073","MoKα","","0.0261","0.0244","","","0.0571","0.0575","","","","","","1.429","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308442","19.8646","0.0007","19.8646","0.0007","19.8646","0.0007","90","","90","","90","","7838.6","0.5","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cu24 Ga52.67 Mg35.07 -","- Cu24 Ga52.672 Mg35.06 -","- Cu96 Ga210.688 Mg140.24 -","4","0.0208333","","Qisheng Lin; John D. Corbett","Mg35Cu24Ga53: A Three-Dimensional Cubic Network Composed of Interconnected Cu6Ga6 Icosahedra, Mg-Centered Ga16 Icosioctahedra, and a Magnesium Lattice","Inorganic Chemistry","2005","44","","512","518","10.1021/ic040075u","","","0.71073","MoKα","","0.0577","0.0261","","","0.0465","0.053","","","","","","1.049","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308443","26.959","0.003","12.3089","0.0014","33.493","0.004","90","","90","","90","","11114","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C53 H49 Ag B F4 Fe N14 -","- C44 H30 Ag B F4 Fe N10 -","- C352 H240 Ag8 B8 F32 Fe8 N80 -","8","1","","Sara R. Halper; Seth M. Cohen","Heterometallic Metal-Organic Frameworks Based on Tris(dipyrrinato) Coordination Complexes","Inorganic Chemistry","2005","44","","486","488","10.1021/ic048289z","","","0.71073","MoKα","","0.1461","0.0984","","","0.2691","0.291","","","","","","1.039","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308444","20.9151","0.0015","18.4021","0.0013","23.3326","0.0016","90","","102.501","0.001","90","","8767.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 Cl3 Co N9 -","- C36.4 H29.6 Cl2.4 Co0.8 N7.2 -","- C364 H296 Cl24 Co8 N72 -","10","2.5","","Sara R. Halper; Seth M. Cohen","Heterometallic Metal-Organic Frameworks Based on Tris(dipyrrinato) Coordination Complexes","Inorganic Chemistry","2005","44","","486","488","10.1021/ic048289z","","","0.71073","MoKα","","0.0685","0.0521","","","0.1434","0.1516","","","","","","1.105","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308445","9.237","0.0009","30.719","0.003","13.0514","0.0012","90","","102.878","0.001","90","","3610.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Fe N9 -","- C42 H30 Fe N9 -","- C168 H120 Fe4 N36 -","4","1","","Sara R. Halper; Seth M. Cohen","Heterometallic Metal-Organic Frameworks Based on Tris(dipyrrinato) Coordination Complexes","Inorganic Chemistry","2005","44","","486","488","10.1021/ic048289z","","","0.71073","MoKα","","0.0553","0.0415","","","0.0962","0.1007","","","","","","1.071","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308446","26.713","0.003","12.58","0.0013","33.455","0.003","90","","90","","90","","11243","2","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C55 H48 Ag Co F3 N15 O3 S -","- C47 H30 Ag Co F3 N11 O3 S -","- C376 H240 Ag8 Co8 F24 N88 O24 S8 -","8","1","","Sara R. Halper; Seth M. Cohen","Heterometallic Metal-Organic Frameworks Based on Tris(dipyrrinato) Coordination Complexes","Inorganic Chemistry","2005","44","","486","488","10.1021/ic048289z","","","0.71073","MoKα","","0.0921","0.0704","","","0.1842","0.1946","","","","","","1.041","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308447","12.1918","0.0018","16.306","0.002","22.117","0.003","89.414","0.003","78.086","0.003","87.962","0.003","4299.4","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","04151b","","","- C100 H96 B2 Cl2 Fe2 N8 O3 -","- C100 H96 B2 Cl2 Fe2 N8 O3 -","- C200 H192 B4 Cl4 Fe4 N16 O6 -","2","1","","Tapan K. Paine; Hui Zheng; Lawrence Que","Iron Coordination Chemistry of Phenylpyruvate: An Unexpected κ3-Bridging Mode That Leads to Oxidative Cleavage of the C2-C3 Bond","Inorganic Chemistry","2005","44","","474","476","10.1021/ic048427k","","","0.71073","MoKα","","0.1313","0.072","","","0.1769","0.2179","","","","","","1.022","","","","has coordinates,has disorder","179122","2020-10-21","18:00:00",""
"4308448","10.056","0.003","37.072","0.009","13.409","0.003","90","","90.223","0.004","90","","4999","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","03267","","","- C56 H45 B Cl4 Fe N6 O3 -","- C56 H45 B Cl4 Fe N6 O3 -","- C224 H180 B4 Cl16 Fe4 N24 O12 -","4","1","","Tapan K. Paine; Hui Zheng; Lawrence Que","Iron Coordination Chemistry of Phenylpyruvate: An Unexpected κ3-Bridging Mode That Leads to Oxidative Cleavage of the C2-C3 Bond","Inorganic Chemistry","2005","44","","474","476","10.1021/ic048427k","","","0.71073","MoKα","","0.0706","0.0555","","","0.1189","0.1249","","","","","","1.025","","","","has coordinates,has disorder","179122","2020-10-21","18:00:00",""
"4308449","15.362","0.004","14.093","0.004","14.677","0.004","90","","90.082","0.004","90","","3177.5","1.5","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 N4 Si4 Zr -","- C24 H44 N4 Si4 Zr -","- C96 H176 N16 Si16 Zr4 -","4","0.5","","Alan F. Heyduk; Karen J. Blackmore; Nicole A. Ketterer; Joseph W. Ziller","Azide Addition To Give a Tetra-azazirconacycle Complex","Inorganic Chemistry","2005","44","","468","470","10.1021/ic048560c","","","0.71073","MoKα","","0.02","0.0192","","","0.0528","0.0534","","","","","","1.094","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4308450","11.8325","0.0009","22.8851","0.0018","13.4664","0.0011","90","","95.812","0.001","90","","3627.8","0.5","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H55 N5 Si4 Zr -","- C28 H55 N5 Si4 Zr -","- C112 H220 N20 Si16 Zr4 -","4","1","","Alan F. Heyduk; Karen J. Blackmore; Nicole A. Ketterer; Joseph W. Ziller","Azide Addition To Give a Tetra-azazirconacycle Complex","Inorganic Chemistry","2005","44","","468","470","10.1021/ic048560c","","","0.71073","MoKα","","0.0387","0.0283","","","0.0689","0.0765","","","","","","1.096","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4308451","10.0465","0.0009","12.0462","0.0011","16.4033","0.0015","99.963","0.002","94.636","0.002","99.203","0.002","1918","0.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H51 N7 Si4 Zr -","- C31 H51 N7 Si4 Zr -","- C62 H102 N14 Si8 Zr2 -","2","1","","Alan F. Heyduk; Karen J. Blackmore; Nicole A. Ketterer; Joseph W. Ziller","Azide Addition To Give a Tetra-azazirconacycle Complex","Inorganic Chemistry","2005","44","","468","470","10.1021/ic048560c","","","0.71073","MoKα","","0.0488","0.0329","","","0.0778","0.0854","","","","","","1.08","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308452","14.626","0.005","15.245","0.005","16.531","0.005","90","","90","","90","","3686","2","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34 H52 Gd2 N6 O -","- C34 H52 Gd2 N6 O -","- C136 H208 Gd8 N24 O4 -","4","0.5","","Jie Zhang; Xigeng Zhou; Ruifang Cai; Linhong Weng","Reactivity of Organolanthanide and Organolithium Complexes Containing the Guanidinate Ligands toward Isocyanate or Carbodiimide: Synthesis and Crystal Structures","Inorganic Chemistry","2005","44","","716","722","10.1021/ic048683x","","","0.71073","MoKα","","0.061","0.0494","","","0.099","0.1051","","","","","","1.036","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308453","8.865","0.003","10.953","0.003","13.984","0.004","97.327","0.004","92.531","0.004","100.162","0.004","1322.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H70 Gd2 N8 O4 -","- C52 H70 Gd2 N8 O4 -","- C52 H70 Gd2 N8 O4 -","1","0.5","","Jie Zhang; Xigeng Zhou; Ruifang Cai; Linhong Weng","Reactivity of Organolanthanide and Organolithium Complexes Containing the Guanidinate Ligands toward Isocyanate or Carbodiimide: Synthesis and Crystal Structures","Inorganic Chemistry","2005","44","","716","722","10.1021/ic048683x","","","0.71073","MoKα","","0.0361","0.0325","","","0.0843","0.0875","","","","","","1.025","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308454","9.686","0.004","10.351","0.004","13.23","0.005","72.912","0.005","70.051","0.004","83.91","0.005","1191.8","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H36 N5 Yb -","- C22 H36 N5 Yb -","- C44 H72 N10 Yb2 -","2","1","","Jie Zhang; Xigeng Zhou; Ruifang Cai; Linhong Weng","Reactivity of Organolanthanide and Organolithium Complexes Containing the Guanidinate Ligands toward Isocyanate or Carbodiimide: Synthesis and Crystal Structures","Inorganic Chemistry","2005","44","","716","722","10.1021/ic048683x","","","0.71073","MoKα","","0.0388","0.034","","","0.0894","0.0911","","","","","","1.143","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308455","9.749","0.003","10.425","0.003","13.309","0.004","73.275","0.004","70.142","0.004","84.204","0.004","1218.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H36 Dy N5 -","- C22 H36 Dy N5 -","- C44 H72 Dy2 N10 -","2","1","","Jie Zhang; Xigeng Zhou; Ruifang Cai; Linhong Weng","Reactivity of Organolanthanide and Organolithium Complexes Containing the Guanidinate Ligands toward Isocyanate or Carbodiimide: Synthesis and Crystal Structures","Inorganic Chemistry","2005","44","","716","722","10.1021/ic048683x","","","0.71073","MoKα","","0.0307","0.0266","","","0.0578","0.0595","","","","","","1.037","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308456","11.768","0.0004","12.179","0.0004","12.6422","0.0004","77.886","0.001","65.213","0.001","63.538","0.001","1472.05","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cu2 N5 O11 P2 -","- C26 H22 Cu2 N5 O11 P2 -","- C52 H44 Cu4 N10 O22 P4 -","2","1","","Bing-Ping Yang; Jiang-Gao Mao","New Types of Metal Squarato-phosphonates: Condensation of Aminodiphosphonate with Squaric Acid under Hydrothermal Conditions","Inorganic Chemistry","2005","44","","566","571","10.1021/ic048685h","","","0.71073","MoKα","","0.0498","0.0441","","","0.1107","0.1172","","","","","","1.069","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308457","7.6267","0.0001","8.1689","0.0001","12.8587","0.0004","95.724","0.002","103.905","0.002","90.657","0.002","773.24","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 Mn3 N2 O28 P4 -","- C12 H14 Mn3 N2 O28 P4 -","- C12 H14 Mn3 N2 O28 P4 -","1","0.5","","Bing-Ping Yang; Jiang-Gao Mao","New Types of Metal Squarato-phosphonates: Condensation of Aminodiphosphonate with Squaric Acid under Hydrothermal Conditions","Inorganic Chemistry","2005","44","","566","571","10.1021/ic048685h","","","0.71073","MoKα","","0.0882","0.0669","","","0.1491","0.1672","","","","","","1.114","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308458","16.5007","0.0004","16.5007","0.0004","14.9099","0.0004","90","","90","","90","","4059.56","0.18","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C72 H54 Cl2 Mn4 N12 O14 -","- C72 H54 Cl2 Mn4 N12 O14 -","- C144 H108 Cl4 Mn8 N24 O28 -","2","0.5","","En-Qing Gao; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","Tetramanganese(II) Cluster with Centered Trigonal Topology: Structure and Magnetic Properties","Inorganic Chemistry","2005","44","","677","682","10.1021/ic048699n","","","0.71073","MoKα","","0.1788","0.0568","","","0.0852","0.1035","","","","","","1.043","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308459","12.611","0.003","21.931","0.004","11.987","0.002","90","","92.45","0.03","90","","3312.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H48 Cl2 Cu3 N6 O12 -","- C18 H40 Cl2 Cu3 N6 O12 -","- C72 H160 Cl8 Cu12 N24 O48 -","4","1","","Yun-Bo Jiang; Hui-Zhong Kou; Ru-Ji Wang; Ai-Li Cui; Joan Ribas","Synthesis, Crystal Structure, and Magnetic Properties of Oxime-Bridged Polynuclear Ni(II) and Cu(II) Complexes","Inorganic Chemistry","2005","44","","709","715","10.1021/ic048729m","","","0.71073","MoKα","","0.1208","0.0658","","","0.0985","0.1091","","","","","","1.064","","","","has coordinates","288539","2023-12-24","00:56:28",""
"4308460","21.111","0.001","13.1963","0.0008","11.843","0.0007","90","","116.385","0.001","90","","2955.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H92 Cl2 N12 Ni6 O15 -","- C36 H2 Cl2 N12 Ni6 O15 -","- C72 H4 Cl4 N24 Ni12 O30 -","2","0.25","","Yun-Bo Jiang; Hui-Zhong Kou; Ru-Ji Wang; Ai-Li Cui; Joan Ribas","Synthesis, Crystal Structure, and Magnetic Properties of Oxime-Bridged Polynuclear Ni(II) and Cu(II) Complexes","Inorganic Chemistry","2005","44","","709","715","10.1021/ic048729m","","","0.71073","MoKα","","0.0545","0.0488","","","0.1317","0.1355","","","","","","1.055","","","","has coordinates","288539","2023-12-24","00:56:28",""
"4308461","7.6762","0.0002","17.8448","0.0004","4.8105","0.0002","90","","90","","90","","658.94","0.04","296","2","296","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","","","- C6 H6.33 Eu2 O13.16 -","- C6 Eu2 O13.16 -","- C12 Eu4 O26.32 -","2","0.5","","Christian Serre; Jérôme Marrot; Gérard Férey","An Open-Framework Rare-Earth Acetylenedicarboxylate: MIL-95, EuIII2(H2O)2(CO3)2.{O2C-C2-CO2}.{H2O}x","Inorganic Chemistry","2005","44","","654","657","10.1021/ic0487373","","","0.71073","MoKα","","0.0591","0.0447","","","0.1064","0.116","","","","","","1.083","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308462","5.1909","0.0019","9.535","0.004","10.775","0.003","86.18","0.03","84.58","0.03","75.79","0.03","514.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 N3 O6 P Zn -","- C6 H10 N3 O6 P Zn -","- C12 H20 N6 O12 P2 Zn2 -","2","1","","Jian Fan; Carla Slebodnick; Ross Angel; Brian E. Hanson","New Zinc Phosphates Decorated by Imidazole-Containing Ligands","Inorganic Chemistry","2005","44","","552","558","10.1021/ic0487528","","x-ray","0.71073","MoKα","","0.1029","0.0529","","","0.0737","0.0872","","","","","","0.886","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308463","11.1894","0.0011","5.2258","0.0005","14.5794","0.0012","90","","95.93","0.007","90","","847.95","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 N2 O5 P Zn -","- C4 H9 N2 O5 P Zn -","- C16 H36 N8 O20 P4 Zn4 -","4","1","","Jian Fan; Carla Slebodnick; Ross Angel; Brian E. Hanson","New Zinc Phosphates Decorated by Imidazole-Containing Ligands","Inorganic Chemistry","2005","44","","552","558","10.1021/ic0487528","","x-ray","0.71073","MoKα","","0.0269","0.0238","","","0.06","0.0615","","","","","","1.045","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308464","9.419","0.0011","9.5201","0.0009","13.2467","0.0014","76.692","0.009","78.841","0.01","66.443","0.01","1052.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 N4 O10 P2 Zn2 -","- C14 H20 N4 O10 P2 Zn2 -","- C28 H40 N8 O20 P4 Zn4 -","2","1","","Jian Fan; Carla Slebodnick; Ross Angel; Brian E. Hanson","New Zinc Phosphates Decorated by Imidazole-Containing Ligands","Inorganic Chemistry","2005","44","","552","558","10.1021/ic0487528","","x-ray","0.71073","MoKα","","0.068","0.0392","","","0.0759","0.0833","","","","","","0.914","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308465","8.536","0.003","9.914","0.003","10.631","0.004","81.33","0.03","74.62","0.03","69.1","0.03","808.8","0.5","293","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 N4 O5 P Zn -","- C14 H17 N4 O5 P Zn -","- C28 H34 N8 O10 P2 Zn2 -","2","1","","Jian Fan; Carla Slebodnick; Ross Angel; Brian E. Hanson","New Zinc Phosphates Decorated by Imidazole-Containing Ligands","Inorganic Chemistry","2005","44","","552","558","10.1021/ic0487528","","x-ray","0.71073","MoKα","","0.0421","0.034","","","0.1032","0.1108","","","","","","0.852","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308466","10.6062","0.0004","10.6062","0.0004","23.9726","0.0013","90","","90","","90","","2696.7","0.2","295","2","273","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H22 Cl Cu Gd N16 O13 -","- C12 H22 Cl Cu Gd N16 O13 -","- C48 H88 Cl4 Cu4 Gd4 N64 O52 -","4","0.25","","Feng He; Ming-Liang Tong; Xiao-Lan Yu; Xiao-Ming Chen","Controlled Aggregation of Heterometallic Nanoscale Cu12Ln6 Clusters (Ln = GdIII or NdIII) into 2D Coordination Polymers","Inorganic Chemistry","2005","44","","559","565","10.1021/ic048754s","","","0.71073","MoKα","","0.021","0.0181","","","0.0432","0.0446","","","","","","1.08","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308467","10.6525","0.0004","10.6525","0.0004","24.0415","0.001","90","","90","","90","","2728.13","0.18","295","2","273","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H22 Cl Cu N16 Nd O13 -","- C12 H22 Cl Cu N16 Nd O13 -","- C48 H88 Cl4 Cu4 N64 Nd4 O52 -","4","0.25","","Feng He; Ming-Liang Tong; Xiao-Lan Yu; Xiao-Ming Chen","Controlled Aggregation of Heterometallic Nanoscale Cu12Ln6 Clusters (Ln = GdIII or NdIII) into 2D Coordination Polymers","Inorganic Chemistry","2005","44","","559","565","10.1021/ic048754s","","","0.71073","MoKα","","0.0217","0.0203","","","0.0467","0.0473","","","","","","1.147","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308468","13.3916","0.0003","6.8541","0.0002","15.4889","0.0004","90","","102.528","0.0011","90","","1387.83","0.06","150","2","150","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Na Sn2 -","- Na Sn2 -","- Na16 Sn32 -","16","2","","Franck Dubois; Martin Schreyer; Thomas F. Fässler","NaSn2: A Novel Binary Zintl Phase with 2D Polyanions of Realgar-Type Units [Sn8]4-","Inorganic Chemistry","2005","44","","477","479","10.1021/ic048770p","","","0.71073","MoKα","","0.0364","0.0356","","","0.0852","0.0856","","","","","","1.2","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308469","9.805","0.0001","14.3361","0.0002","24.557","0.0003","90","","101.442","0.0005","90","","3383.27","0.07","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Au I5 P2 -","- C30 H24 Au I5 P2 -","- C120 H96 Au4 I20 P8 -","4","1","","Bratislav Djordjevic; Oliver Schuster; Hubert Schmidbaur","A Cyclic Hexamer of Silver Trifluoroacetate Supported by Four Triphenylphosphine Sulfide Template Molecules","Inorganic Chemistry","2005","44","","673","676","10.1021/ic048795o","","","0.71073","MoKα","","0.0318","0.0312","","","0.0782","0.0786","","","","","","1.161","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308470","10.9501","0.0003","11.2398","0.0004","13.8195","0.0004","104.235","0.0018","96.633","0.002","118.964","0.0012","1386.14","0.08","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H18 Ag2 F6 N2 O8 S2 -","- C22 H18 Ag2 F6 N2 O8 S2 -","- C44 H36 Ag4 F12 N4 O16 S4 -","2","1","","Bratislav Djordjevic; Oliver Schuster; Hubert Schmidbaur","A Cyclic Hexamer of Silver Trifluoroacetate Supported by Four Triphenylphosphine Sulfide Template Molecules","Inorganic Chemistry","2005","44","","673","676","10.1021/ic048795o","","","0.71073","MoKα","","0.0353","0.0297","","","0.0634","0.0656","","","","","","1.06","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308471","9.3397","0.0019","12.4097","0.0016","13.2366","0.0014","93.078","0.009","104.314","0.011","110.51","0.011","1375.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 Cl4 Cu3 N20 O16 -","- C36 H44 Cl4 Cu3 N20 O16 -","- C36 H44 Cl4 Cu3 N20 O16 -","1","0.5","","Chang-Chuan Chou; Chan-Cheng Su; Hui-Lien Tsai; Kwang-Hwa Lii","First Example of a 2:1 Cocrystal of Mixed Cu(I)/Cu(II) Complexes and a Novel Ferromagnetic Bis(μ-hydroxo)dicopper(II) Complex with a Bis(pyrazol-1-yl)methane Bidentate Ligand","Inorganic Chemistry","2005","44","","628","632","10.1021/ic048854y","","","0.7093","Mokα","","0.1683","0.0546","","","0.1392","0.1823","","","","","","1.001","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308472","8.5825","0.0007","19.8344","0.0017","11.848","0.001","90","","98.583","0.002","90","","1994.3","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cl Cu N8 O4 -","- C14 H16 Cl Cu N8 O4 -","- C56 H64 Cl4 Cu4 N32 O16 -","4","0.5","","Chang-Chuan Chou; Chan-Cheng Su; Hui-Lien Tsai; Kwang-Hwa Lii","First Example of a 2:1 Cocrystal of Mixed Cu(I)/Cu(II) Complexes and a Novel Ferromagnetic Bis(μ-hydroxo)dicopper(II) Complex with a Bis(pyrazol-1-yl)methane Bidentate Ligand","Inorganic Chemistry","2005","44","","628","632","10.1021/ic048854y","","","0.71073","MoKα","","0.1173","0.0902","","","0.2469","0.267","","","","","","1.114","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308473","10.3563","0.0007","10.6986","0.0007","12.642","0.0009","72.424","0.001","80.679","0.001","68.004","0.001","1236.23","0.15","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19.5 Cl2 Cu2 N8.5 O10 -","- C15 H19.5 Cl2 Cu2 N8.5 O10 -","- C30 H39 Cl4 Cu4 N17 O20 -","2","1","","Chang-Chuan Chou; Chan-Cheng Su; Hui-Lien Tsai; Kwang-Hwa Lii","First Example of a 2:1 Cocrystal of Mixed Cu(I)/Cu(II) Complexes and a Novel Ferromagnetic Bis(μ-hydroxo)dicopper(II) Complex with a Bis(pyrazol-1-yl)methane Bidentate Ligand","Inorganic Chemistry","2005","44","","628","632","10.1021/ic048854y","","","0.71073","MoKα","","0.0511","0.0414","","","0.1196","0.1257","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308474","13.4785","0.0003","15.4119","0.0004","17.7509","0.0004","89.8405","0.0008","77.7478","0.0007","66.4181","0.0011","3288.56","0.14","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H124 Cl2 Mn18 N12 O66 -","- C90 H120 Cl2 Mn18 N12 O66 -","- C90 H120 Cl2 Mn18 N12 O66 -","1","0.5","","E. K. Brechin; E. C. Sañudo; W. Wernsdorfer; C. Boskovic; J. Yoo; D. N. Hendrickson; A. Yamaguchi; H. Ishimoto; T. E. Concolino; A. L. Rheingold; G. Christou","Single-Molecule Magnets: Structure and Properties of [Mn18O14(O2CMe)18(hep)4(hepH)2(H2O)2](ClO4)2 with Spin S= 13","Inorganic Chemistry","2005","44","","502","511","10.1021/ic048857a","","","0.71073","MoKα","","0.2104","0.1366","","","0.2982","0.346","","","","","","1.851","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308475","18.461","0.004","17.23","0.003","13.7","0.003","90","","117.88","0.03","90","","3851.9","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H43 Cl2 N4 O6 V2 -","- C16.5 H22.5 Cl2 N2 O3 V -","- C132 H180 Cl16 N16 O24 V8 -","8","1","","Amrita Mondal; Sumana Sarkar; Deepak Chopra; T. N. Guru Row; Kausikisankar Pramanik; Kajal Krishna Rajak","Family of Mixed-Valence Oxovanadium(IV/V) Dinuclear Entities Incorporating N4O3-Coordinating Heptadentate Ligands: Synthesis, Structure, and EPR Spectra","Inorganic Chemistry","2005","44","","703","708","10.1021/ic048919x","","","0.71073","MoKα","","0.1936","0.102","","0.3472","0.2568","","","","0.958","1.114","1.114","","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308476","16.85","0.005","7.776","0.002","18.372","0.006","90","","107.837","0.005","90","","2291.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 B N O -","- C31 H22 B N O -","- C124 H88 B4 N4 O4 -","4","1","","Yi Cui; Qin-De Liu; Dong-Ren Bai; Wen-Li Jia; Ye Tao; Suning Wang","Organoboron Compounds with an 8-Hydroxyquinolato Chelate and Its Derivatives: Substituent Effects on Structures and Luminescence","Inorganic Chemistry","2005","44","","601","609","10.1021/ic0489746","","","0.71073","MoKα","","0.3101","0.0711","","","0.1244","0.163","","","","","","0.707","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308477","7.9708","0.0016","10.54","0.002","14.353","0.003","74.011","0.004","87.716","0.004","89.802","0.004","1158.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H20 B N O S -","- C29 H19 B N O S -","- C58 H38 B2 N2 O2 S2 -","2","1","","Yi Cui; Qin-De Liu; Dong-Ren Bai; Wen-Li Jia; Ye Tao; Suning Wang","Organoboron Compounds with an 8-Hydroxyquinolato Chelate and Its Derivatives: Substituent Effects on Structures and Luminescence","Inorganic Chemistry","2005","44","","601","609","10.1021/ic0489746","","","0.71073","MoKα","","0.0893","0.0418","","","0.0885","0.1012","","","","","","0.855","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308478","12.242","0.004","17.188","0.006","19.354","0.007","90","","91.748","0.006","90","","4070","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 B N O S2 -","- C25 H16 B N O S2 -","- C200 H128 B8 N8 O8 S16 -","8","2","","Yi Cui; Qin-De Liu; Dong-Ren Bai; Wen-Li Jia; Ye Tao; Suning Wang","Organoboron Compounds with an 8-Hydroxyquinolato Chelate and Its Derivatives: Substituent Effects on Structures and Luminescence","Inorganic Chemistry","2005","44","","601","609","10.1021/ic0489746","","","0.71073","MoKα","","0.1256","0.059","","","0.1511","0.1737","","","","","","0.898","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308479","18.36","0.03","17.41","0.02","13.799","0.019","90","","100.97","0.02","90","","4330","11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 B N O S2 -","- C26 H17 B N O S2 -","- C208 H136 B8 N8 O8 S16 -","8","2","","Yi Cui; Qin-De Liu; Dong-Ren Bai; Wen-Li Jia; Ye Tao; Suning Wang","Organoboron Compounds with an 8-Hydroxyquinolato Chelate and Its Derivatives: Substituent Effects on Structures and Luminescence","Inorganic Chemistry","2005","44","","601","609","10.1021/ic0489746","","","0.71073","MoKα","","0.1013","0.049","","","0.1216","0.1409","","","","","","0.905","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308480","42.5605","0.0018","42.5605","0.0018","9.7061","0.0008","90","","90","","90","","17581.6","1.8","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C88 H112 Cl12 O8 P4 Ru2 -","- C68 H64 Cl4 O4 P4 Ru2 -","- C544 H512 Cl32 O32 P32 Ru16 -","8","1","","Meisa S. Khoshbin; Maxim V. Ovchinnikov; Chad A. Mirkin; Lev N. Zakharov; Arnold L. Rheingold","Binuclear Ruthenium Macrocycles Formed via the Weak-Link Approach","Inorganic Chemistry","2005","44","","496","501","10.1021/ic048975y","","","0.71073","MoKα","","0.0766","0.0605","","","0.1338","0.1393","","","","","","0.978","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308481","11.9054","0.0017","12.9108","0.0019","20.163","0.003","73.556","0.003","80.85","0.003","82.126","0.003","2920.7","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 F24 Mn2 N6 O12 -","- C44 H34 F24 Mn2 N6 O12 -","- C88 H68 F48 Mn4 N12 O24 -","2","1","","Dominique Luneau; Christophe Stroh; Joan Cano; Raymond Ziessel","Synthesis, Structure, and Magnetism of a 1D Compound Engineered from a Biradical [5,5'-Bis(3""-oxide-1""-oxyl-4"",4"",5"",5""- tetramethylimidazolin-2""-yl)-2,2'-bipyridine] and MnII(hfac)2","Inorganic Chemistry","2005","44","","633","637","10.1021/ic049007y","","","0.71073","MoKα","","0.365","0.097","","","0.1849","0.2864","","","","","","0.933","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308482","10.139","0.003","14.614","0.003","18.034","0.004","90","","99.81","0.02","90","","2633.1","1.1","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H44 Cl N5 Si2 Ti -","- C17 H44 Cl N5 Si2 Ti -","- C68 H176 Cl4 N20 Si8 Ti4 -","4","1","","Claire J. Carmalt; Anne C. Newport; Shane A. O'Neill; Ivan P. Parkin; Andrew J. P. White; David J. Williams","Synthesis of Titanium(IV) Guanidinate Complexes and the Formation of Titanium Carbonitride via Low-Pressure Chemical Vapor Deposition","Inorganic Chemistry","2005","44","","615","619","10.1021/ic049013u","","","1.54178","CuKα","","0.1293","0.0753","","0.2196","0.179","","","","1.09","1.19","1.19","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308483","8.9348","0.0006","13.1922","0.0012","13.9804","0.0008","90","","99.694","0.005","90","","1624.3","0.2","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H52.6 Cl2 N6 Si2 Ti -","- C23 H52.6 Cl2 N6 Si2 Ti -","- C46 H105.2 Cl4 N12 Si4 Ti2 -","2","1","","Claire J. Carmalt; Anne C. Newport; Shane A. O'Neill; Ivan P. Parkin; Andrew J. P. White; David J. Williams","Synthesis of Titanium(IV) Guanidinate Complexes and the Formation of Titanium Carbonitride via Low-Pressure Chemical Vapor Deposition","Inorganic Chemistry","2005","44","","615","619","10.1021/ic049013u","","","1.54178","CuKα","","0.0408","0.0367","","","0.0927","0.0948","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308484","22.5","0.003","20.053","0.003","19.625","0.003","90","","99.314","0.003","90","","8738","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H64 N12 Ni4 O28 -","- C96 H64 N12 Ni4 O28 -","- C384 H256 N48 Ni16 O112 -","4","0.5","","Eun Young Choi; Young-Uk Kwon","Diversification of Hydrothermal Reaction Products Induced by Naphthalene Molecules","Inorganic Chemistry","2005","44","","538","545","10.1021/ic049030j","","","0.71073","MoKα","","0.1182","0.061","","","0.1583","0.178","","","","","","1.042","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308485","11.248","0.002","16.801","0.004","14.945","0.003","90","","103.732","0.004","90","","2743.5","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 N4 Ni2 O12 -","- C68 H48 N4 Ni2 O12 -","- C136 H96 N8 Ni4 O24 -","2","0.5","","Eun Young Choi; Young-Uk Kwon","Diversification of Hydrothermal Reaction Products Induced by Naphthalene Molecules","Inorganic Chemistry","2005","44","","538","545","10.1021/ic049030j","","","0.71073","MoKα","","0.1361","0.103","","","0.2684","0.2862","","","","","","1.164","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308486","10.692","0.002","11.114","0.003","21.962","0.005","90","","101.699","0.017","90","","2555.5","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N2 Ni O12 -","- C28 H18 N2 Ni O12 -","- C112 H72 N8 Ni4 O48 -","4","0.5","","Eun Young Choi; Young-Uk Kwon","Diversification of Hydrothermal Reaction Products Induced by Naphthalene Molecules","Inorganic Chemistry","2005","44","","538","545","10.1021/ic049030j","","","0.71073","MoKα","","0.033","0.0325","","","0.0896","0.09","","","","","","1.057","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308487","10.4359","0.0005","16.2555","0.0008","18.9962","0.001","101.53","0.004","104.101","0.005","102.537","0.004","2940.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H126 N6 Na4 O18 S24 U2 -","- C90 H126 N6 Na4 O18 S24 U2 -","- C90 H126 N6 Na4 O18 S24 U2 -","1","0.5","","Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine","Homoleptic Tris(dithiolene) and Tetrakis(dithiolene) Complexes of Uranium(IV)","Inorganic Chemistry","2005","44","","594","600","10.1021/ic049054q","","","0.71073","MoKα","","0.1229","0.0675","","","0.1367","0.1604","","","","","","1.015","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308488","29.0956","0.0008","15.908","0.0004","14.361","0.0004","90","","90","","90","","6647","0.3","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H80 Na4 O8 S16 U -","- C48 H80 Na4 O8 S16 U -","- C192 H320 Na16 O32 S64 U4 -","4","1","","Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine","Homoleptic Tris(dithiolene) and Tetrakis(dithiolene) Complexes of Uranium(IV)","Inorganic Chemistry","2005","44","","594","600","10.1021/ic049054q","","","0.71073","MoKα","","0.0719","0.0435","","","0.0712","0.0791","","","","","","0.984","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308489","29.0277","0.0013","10.5486","0.0004","29.1026","0.0013","90","","116.001","0.002","90","","8009.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H90 N6 Na2 O12 S12 U -","- C66 H86 N6 Na2 O12 S12 U -","- C264 H344 N24 Na8 O48 S48 U4 -","4","1","","Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine","Homoleptic Tris(dithiolene) and Tetrakis(dithiolene) Complexes of Uranium(IV)","Inorganic Chemistry","2005","44","","594","600","10.1021/ic049054q","","","0.71073","MoKα","","0.0969","0.0492","","","0.0908","0.1073","","","","","","1.001","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308490","10.4901","0.0005","15.5965","0.0013","22.578","0.0018","83.727","0.003","80.084","0.005","75.523","0.004","3514.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H80 N4 Na2 O12 S12 U -","- C56 H80 N4 Na2 O12 S12 U -","- C112 H160 N8 Na4 O24 S24 U2 -","2","1","","Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine","Homoleptic Tris(dithiolene) and Tetrakis(dithiolene) Complexes of Uranium(IV)","Inorganic Chemistry","2005","44","","594","600","10.1021/ic049054q","","","0.71073","MoKα","","0.0895","0.0531","","","0.1037","0.1155","","","","","","1.044","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308491","12.1362","0.0011","16.705","0.002","17.7897","0.0016","74.203","0.006","74.938","0.007","73.106","0.006","3256","0.6","100","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H66 Ce N6 Na3 O6 S12 -","- C55 H56 Ce N5 Na3 O6 S12 -","- C110 H112 Ce2 N10 Na6 O12 S24 -","2","1","","Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine","Tris(dithiolene) Complexes of Neodymium and Cerium: Mononuclear Species, Chains, and Honeycomb Networks","Inorganic Chemistry","2005","44","","584","593","10.1021/ic049055i","","","0.71073","MoKα","","0.1058","0.0612","","","0.1336","0.1534","","","","","","1.012","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308492","13.8785","0.0013","24.3573","0.0013","16.9363","0.0017","90","","110.288","0.004","90","","5370","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C93 H129 N9 Na3 Nd O18 S12 -","- C93 H129 N9 Na3 Nd O18 S12 -","- C186 H258 N18 Na6 Nd2 O36 S24 -","2","1","","Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine","Tris(dithiolene) Complexes of Neodymium and Cerium: Mononuclear Species, Chains, and Honeycomb Networks","Inorganic Chemistry","2005","44","","584","593","10.1021/ic049055i","","","0.71073","MoKα","","0.1283","0.0687","","","0.1422","0.1703","","","","","","0.973","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308493","14.2753","0.0009","14.8237","0.0007","17.0518","0.001","114.415","0.003","91.86","0.003","116.398","0.003","2837.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H60.5 N2.5 Na3 Nd O9 S12 -","- C42.5 H58 N2.5 Na3 Nd O9 S12 -","- C85 H116 N5 Na6 Nd2 O18 S24 -","2","1","","Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine","Tris(dithiolene) Complexes of Neodymium and Cerium: Mononuclear Species, Chains, and Honeycomb Networks","Inorganic Chemistry","2005","44","","584","593","10.1021/ic049055i","","","0.71073","MoKα","","0.0922","0.0591","","","0.1295","0.1456","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308494","10.1439","0.0008","18.4818","0.0011","19.2305","0.0015","118.159","0.004","92.238","0.004","94.281","0.004","3158.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H80 Na3 Nd O13 S12 -","- C46 H68 Na3 Nd O13 S12 -","- C92 H136 Na6 Nd2 O26 S24 -","2","1","","Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine","Tris(dithiolene) Complexes of Neodymium and Cerium: Mononuclear Species, Chains, and Honeycomb Networks","Inorganic Chemistry","2005","44","","584","593","10.1021/ic049055i","","","0.71073","MoKα","","0.1084","0.0735","","","0.1738","0.1937","","","","","","1.057","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308495","10.3168","0.0005","18.6713","0.0014","19.3117","0.0015","118.759","0.003","90.469","0.004","92.869","0.004","3254.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H68 K3 N4 Nd O9 S12 -","- C53 H53 K3 N Nd O9 S12 -","- C106 H106 K6 N2 Nd2 O18 S24 -","2","1","","Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine","Tris(dithiolene) Complexes of Neodymium and Cerium: Mononuclear Species, Chains, and Honeycomb Networks","Inorganic Chemistry","2005","44","","584","593","10.1021/ic049055i","","","0.71073","MoKα","","0.0672","0.0437","","","0.0972","0.1065","","","","","","1.033","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308496","12.9455","0.0015","13.2257","0.0016","14.5288","0.0017","81.408","0.002","85.618","0.002","80.726","0.002","2424","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- Ce2 Cs8 H60 O108 Si2 W22 -","- Ce2 Cs8 O108 Si2 W22 -","- Ce2 Cs8 O108 Si2 W22 -","1","0.5","","Oxana A. Kholdeeva; Maria N. Timofeeva; Gennadii M. Maksimov; Raisa I. Maksimovskaya; Wade A. Neiwert; Craig L. Hill","Aerobic Oxidation of Formaldehyde Mediated by a Ce-Containing Polyoxometalate under Mild Conditions","Inorganic Chemistry","2005","44","","666","672","10.1021/ic049109o","","","0.71073","MoKα","","0.0757","0.0579","","","0.1228","0.1299","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308497","20.723","0.002","5.2095","0.0006","17.8741","0.0019","90","","90","","90","","1929.6","0.4","295","","295","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H16 N2 O17 P4 Zn5 -","- C4 H16 N2 O17 P4 Zn5 -","- C16 H64 N8 O68 P16 Zn20 -","4","1","","Torben R. Jensen; Nicolas Gérentes; Josua Jepsen; Rita G. Hazell; Hans J. Jakobsen","New Amine-Templated Zinc Phosphates with a Temperature-Induced Increase of Structural Dimensionality","Inorganic Chemistry","2005","44","","658","665","10.1021/ic049156g","","","0.71073","MoKα","","0.0496","0.0341","","","0.0661","0.0709","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308498","8.215","0.002","8.81","0.003","8.861","0.003","88.001","0.004","89.818","0.005","89.773","0.005","640.9","0.3","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H18 N2 O9 P2 Zn -","- C4 H18 N2 O9 P2 Zn -","- C8 H36 N4 O18 P4 Zn2 -","2","1","","Torben R. Jensen; Nicolas Gérentes; Josua Jepsen; Rita G. Hazell; Hans J. Jakobsen","New Amine-Templated Zinc Phosphates with a Temperature-Induced Increase of Structural Dimensionality","Inorganic Chemistry","2005","44","","658","665","10.1021/ic049156g","","","0.71073","MoKα","","0.0361","0.0326","","","0.0874","0.09","","","","","","1.027","","","","has coordinates","193991","2020-10-21","18:00:00",""
"4308499","11.7877","0.0004","5.2093","0.0002","12.2031","0.0004","90","","98.198","0.001","90","","741.68","0.05","295","","295","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C4 H17 N2 O12 P3 Zn2 -","- C4 H17 N2 O12 P3 Zn2 -","- C8 H34 N4 O24 P6 Zn4 -","2","0.5","","Torben R. Jensen; Nicolas Gérentes; Josua Jepsen; Rita G. Hazell; Hans J. Jakobsen","New Amine-Templated Zinc Phosphates with a Temperature-Induced Increase of Structural Dimensionality","Inorganic Chemistry","2005","44","","658","665","10.1021/ic049156g","","","0.71073","MoKα","","0.0288","0.0267","","","0.073","0.0745","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308500","8.1469","0.0002","8.1469","0.0002","17.8046","0.0005","90","","90","","90","","1181.73","0.05","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","Mn-formate-Bipyridine","","","- C12 H10 Mn N2 O4 -","- C12 H10 Mn N2 O4 -","- C48 H40 Mn4 N8 O16 -","4","0.5","","Xin-Yi Wang; Hai-Yan Wei; Zhe-Ming Wang; Zhi-Da Chen; Song Gao","Formate The Analogue of Azide: Structural and Magnetic Properties of M(HCOO)2(4,4'-bpy).nH2O (M = Mn, Co, Ni; n= 0, 5)","Inorganic Chemistry","2005","44","","572","583","10.1021/ic049170t","","","0.71073","MoKα","","0.0375","0.0243","","","0.0458","0.0473","","","","","","0.961","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308501","7.9861","0.0002","7.9861","0.0002","17.4996","0.0005","90","","90","","90","","1116.09","0.05","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H10 Co N2 O4 -","- C12 H10 Co N2 O4 -","- C48 H40 Co4 N8 O16 -","4","0.5","","Xin-Yi Wang; Hai-Yan Wei; Zhe-Ming Wang; Zhi-Da Chen; Song Gao","Formate The Analogue of Azide: Structural and Magnetic Properties of M(HCOO)2(4,4'-bpy).nH2O (M = Mn, Co, Ni; n= 0, 5)","Inorganic Chemistry","2005","44","","572","583","10.1021/ic049170t","","","0.71073","MoKα","","0.0398","0.0255","","","0.0481","0.0503","","","","","","0.931","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308502","10.5108","0.0003","20.2765","0.0007","8.1309","0.0002","90","","102.223","0.002","90","","1693.59","0.09","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H20 Co N2 O9 -","- C12 H10 Co N2 O9 -","- C48 H40 Co4 N8 O36 -","4","1","","Xin-Yi Wang; Hai-Yan Wei; Zhe-Ming Wang; Zhi-Da Chen; Song Gao","Formate The Analogue of Azide: Structural and Magnetic Properties of M(HCOO)2(4,4'-bpy).nH2O (M = Mn, Co, Ni; n= 0, 5)","Inorganic Chemistry","2005","44","","572","583","10.1021/ic049170t","","","0.71073","MoKα","","0.0489","0.0352","","","0.0784","0.0811","","","","","","0.998","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308503","10.4815","0.0002","20.0601","0.0004","8.1266","0.0002","90","","102.633","0.009","90","","1667.33","0.09","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H20 N2 Ni O9 -","- C12 H20 N2 Ni O9 -","- C48 H80 N8 Ni4 O36 -","4","1","","Xin-Yi Wang; Hai-Yan Wei; Zhe-Ming Wang; Zhi-Da Chen; Song Gao","Formate The Analogue of Azide: Structural and Magnetic Properties of M(HCOO)2(4,4'-bpy).nH2O (M = Mn, Co, Ni; n= 0, 5)","Inorganic Chemistry","2005","44","","572","583","10.1021/ic049170t","","","0.71073","MoKα","","0.0366","0.0268","","","0.0544","0.0562","","","","","","0.959","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308504","11.588","0.002","14.246","0.002","13.297","0.002","90","","100.108","0.003","90","","2161","0.6","223.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 Cu N4 O4 -","- C18 H26 Cl2 Cu N4 O4 -","- C72 H104 Cl8 Cu4 N16 O16 -","4","1","","Motoharu Itoh; Jun Nakazawa; Kunihiro Maeda; Koji Kano; Tadashi Mizutani; Masahito Kodera","Copper(II) Complexes of a Series of Polypyridine Ligands Possessing a 1,2-Bis(2-pyridyl)ethane Common Moiety: Incorporation and Hydrolysis of Phosphate Esters","Inorganic Chemistry","2005","44","","691","702","10.1021/ic049240w","","","0.7107","MoKα","","","0.034","","","","0.048","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308505","12.043","0.002","14.211","0.002","16.888","0.003","90","","101.515","0.003","90","","2832.1","0.8","223.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 Cl2 Cu N5 O4 -","- C26 H37 Cl2 Cu N5 O4 -","- C104 H148 Cl8 Cu4 N20 O16 -","4","1","","Motoharu Itoh; Jun Nakazawa; Kunihiro Maeda; Koji Kano; Tadashi Mizutani; Masahito Kodera","Copper(II) Complexes of a Series of Polypyridine Ligands Possessing a 1,2-Bis(2-pyridyl)ethane Common Moiety: Incorporation and Hydrolysis of Phosphate Esters","Inorganic Chemistry","2005","44","","691","702","10.1021/ic049240w","","","0.7107","MoKα","","","0.072","","","","0.131","","","","","","0.941","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308506","17.277","0.004","18.549","0.004","17.418","0.004","90","","95.357","0.005","90","","5558","2","223.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Cl2 Cu2 N6 O16 P2 -","- C52 H52 Cl2 Cu2 N6 O16 P2 -","- C208 H208 Cl8 Cu8 N24 O64 P8 -","4","1","","Motoharu Itoh; Jun Nakazawa; Kunihiro Maeda; Koji Kano; Tadashi Mizutani; Masahito Kodera","Copper(II) Complexes of a Series of Polypyridine Ligands Possessing a 1,2-Bis(2-pyridyl)ethane Common Moiety: Incorporation and Hydrolysis of Phosphate Esters","Inorganic Chemistry","2005","44","","691","702","10.1021/ic049240w","","","0.7107","MoKα","","","0.076","","","","0.105","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308507","18.221","0.004","39.832","0.01","22.519","0.006","90","","96.844","0.004","90","","16227","7","223.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H132 Cl4 Cu6 N18 O40 P4 -","- C108 H116 Cl4 Cu6 N18 O40 P4 -","- C432 H464 Cl16 Cu24 N72 O160 P16 -","4","0.5","","Motoharu Itoh; Jun Nakazawa; Kunihiro Maeda; Koji Kano; Tadashi Mizutani; Masahito Kodera","Copper(II) Complexes of a Series of Polypyridine Ligands Possessing a 1,2-Bis(2-pyridyl)ethane Common Moiety: Incorporation and Hydrolysis of Phosphate Esters","Inorganic Chemistry","2005","44","","691","702","10.1021/ic049240w","","","0.7107","MoKα","","","0.108","","","","0.126","","","","","","1.699","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308508","12.6894","0.0009","19.3299","0.0013","22.3243","0.0015","90","","91.48","0.001","90","","5474","0.6","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H70 Cl N17 Ni4 O9 S4 -","- C37 H70 Cl N17 Ni4 O9 S4 -","- C148 H280 Cl4 N68 Ni16 O36 S16 -","4","2","","Serhiy Demeshko; Guido Leibeling; Walter Maringgele; Franc Meyer; Christopher Mennerich; Hans-Henning Klauss; Hans Pritzkow","Structural Variety and Magnetic Properties of Tetranuclear Nickel(II) Complexes with a Central μ4-Azide","Inorganic Chemistry","2005","44","","519","528","10.1021/ic049251p","","","0.71073","MoKα","","0.0714","0.0658","","","0.1654","0.1686","","","","","","1.107","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308509","11.3935","0.0007","14.8784","0.0009","21.4752","0.0013","92.192","0.001","91.54","0.001","107.582","0.001","3465","0.4","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H82 Cl2 N17 Na Ni4 O15 S4 -","- C50 H82 Cl2 N17 Na Ni4 O15 S4 -","- C100 H164 Cl4 N34 Na2 Ni8 O30 S8 -","2","1","","Serhiy Demeshko; Guido Leibeling; Walter Maringgele; Franc Meyer; Christopher Mennerich; Hans-Henning Klauss; Hans Pritzkow","Structural Variety and Magnetic Properties of Tetranuclear Nickel(II) Complexes with a Central μ4-Azide","Inorganic Chemistry","2005","44","","519","528","10.1021/ic049251p","","","0.71073","MoKα","","0.0865","0.0435","","","0.0956","0.1183","","","","","","1.031","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4308510","14.679","0.002","16.571","0.002","20.216","0.003","101.178","0.003","102.587","0.003","90.957","0.003","4699.3","1.1","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H134 Cl N17 Ni4 O9 S8 -","- C75 H134 Cl N17 Ni4 O9 S8 -","- C150 H268 Cl2 N34 Ni8 O18 S16 -","2","1","","Serhiy Demeshko; Guido Leibeling; Walter Maringgele; Franc Meyer; Christopher Mennerich; Hans-Henning Klauss; Hans Pritzkow","Structural Variety and Magnetic Properties of Tetranuclear Nickel(II) Complexes with a Central μ4-Azide","Inorganic Chemistry","2005","44","","519","528","10.1021/ic049251p","","","0.71073","MoKα","","0.0897","0.0559","","","0.139","0.1671","","","","","","1.077","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308511","16.391","0.002","16.515","0.002","18.416","0.002","90","","103.902","0.002","90","","4839.1","1","106","2","106","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C86 H142 Cl N11 Ni4 O12 S8 -","- C86 H142 Cl N11 Ni4 O12 S8 -","- C172 H284 Cl2 N22 Ni8 O24 S16 -","2","1","","Serhiy Demeshko; Guido Leibeling; Walter Maringgele; Franc Meyer; Christopher Mennerich; Hans-Henning Klauss; Hans Pritzkow","Structural Variety and Magnetic Properties of Tetranuclear Nickel(II) Complexes with a Central μ4-Azide","Inorganic Chemistry","2005","44","","519","528","10.1021/ic049251p","","","0.71073","MoKα","","0.0742","0.0509","","","0.1216","0.1346","","","","","","1.036","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308512","9.6606","0.0006","18.844","0.001","13.0096","0.0008","90","","103.84","0.01","90","","2299.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Au Cl P S3 -","- C24 H17 Au Cl P S3 -","- C96 H68 Au4 Cl4 P4 S12 -","4","1","","Tracey L. Stott; Michael O. Wolf; Brian O. Patrick","Structural and Electronic Properties of Phosphino(oligothiophene) Gold(I) Complexes","Inorganic Chemistry","2005","44","","620","627","10.1021/ic0493200","","","0.71073","MoKα","","0.065","0.0438","","","0.1029","0.1094","","","","","","0.975","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308513","11.3394","0.0011","13.4393","0.0016","13.9345","0.0017","67.17","0.01","69.44","0.01","78.08","0.01","1826.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H74 Au4 Cl6 P4 S2 -","- C69 H72 Au4 Cl6 P4 S2 -","- C69 H72 Au4 Cl6 P4 S2 -","1","0.5","","Tracey L. Stott; Michael O. Wolf; Brian O. Patrick","Structural and Electronic Properties of Phosphino(oligothiophene) Gold(I) Complexes","Inorganic Chemistry","2005","44","","620","627","10.1021/ic0493200","","","0.71073","MoKα","","0.0341","0.0272","","","0.0695","0.073","","","","","","1.056","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308514","18.82","0.03","6.103","0.006","12.151","0.016","90","","105.8","0.17","90","","1343","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","ditechnetium(I)-hexachloro-tetracarbonyl-dinitrosyl","","- C4 Cl4 N2 O6 Tc2 -","- C4 Cl4 N2 O6 Tc2 -","- C16 Cl16 N8 O24 Tc8 -","4","1","","Roger Schibli; Niklaus Marti; Patrick Maurer; Bernhard Spingler; Marie-Line Lehaire; Volker Gramlich; Charles L. Barnes","Syntheses and Characterization of Dicarbonyl-Nitrosyl Complexes of Technetium(I) and Rhenium(I) in Aqueous Media: Spectroscopic, Structural, and DFT Analyses","Inorganic Chemistry","2005","44","","683","690","10.1021/ic049599k","","","1.54178","CuKα","","0.036","0.0355","","","0.086","0.0867","","","","","","1.088","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308515","10.2054","0.0005","12.5317","0.0006","13.9781","0.0007","90","","90","","90","","1787.67","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tetraethylammonium dibromo nitrato tricarbonyl rhenate","","- C10 H20 Br2 N3 O6 Re -","- C10 H20 Br2 N3 O6 Re -","- C40 H80 Br8 N12 O24 Re4 -","4","1","","Roger Schibli; Niklaus Marti; Patrick Maurer; Bernhard Spingler; Marie-Line Lehaire; Volker Gramlich; Charles L. Barnes","Syntheses and Characterization of Dicarbonyl-Nitrosyl Complexes of Technetium(I) and Rhenium(I) in Aqueous Media: Spectroscopic, Structural, and DFT Analyses","Inorganic Chemistry","2005","44","","683","690","10.1021/ic049599k","","","0.7107","MoKα","","0.0327","0.0267","","","0.0505","0.0522","","","","","","0.995","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308516","8.2101","0.0006","25.1002","0.0012","8.8348","0.0007","90","","90","","90","","1820.6","0.2","183","2","183","2","","","","","","","","6","C m c m","-C 2c 2","63","","tetraethylammonium tribromo tricarbonyl rhenate","","- C10 H20 Br3 N2 O3 Re -","- C10 Br3 N2 O3 Re -","- C40 Br12 N8 O12 Re4 -","4","0.25","","Roger Schibli; Niklaus Marti; Patrick Maurer; Bernhard Spingler; Marie-Line Lehaire; Volker Gramlich; Charles L. Barnes","Syntheses and Characterization of Dicarbonyl-Nitrosyl Complexes of Technetium(I) and Rhenium(I) in Aqueous Media: Spectroscopic, Structural, and DFT Analyses","Inorganic Chemistry","2005","44","","683","690","10.1021/ic049599k","","","0.71073","MoKα","","0.0729","0.0682","","","0.1927","0.1971","","","","","","1.114","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308517","11.6282","0.0006","18.89","0.001","13.3536","0.0008","90","","98.956","0.001","90","","2897.4","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","01108","","","- C58 H52 F6 Fe2 N10 O8 S2 -","- C58.0064 H52 F6.0192 Fe2 N10 O8.0192 S2.0064 -","- C116.013 H104 F12.0384 Fe4 N20 O16.0384 S4.0128 -","2","0.5","","Sergey V. Kryatov; Sonia Taktak; Ivan V. Korendovych; Elena V. Rybak-Akimova; József Kaizer; Stéphane Torelli; Xiaopeng Shan; Sanjay Mandal; Vicki L. MacMurdo; Antoni Mairata i Payeras; Lawrence Que","Dioxygen Binding to Complexes with FeII2(μ-OH)2 Cores: Steric Control of Activation Barriers and O2-Adduct Formation","Inorganic Chemistry","2005","44","","85","99","10.1021/ic0485312","","","0.71073","MoKα","","0.0667","0.0413","","","0.1029","0.1111","","","","","","1.017","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308518","11.7549","0.0016","19.06","0.003","16.564","0.002","90","","110.199","0.002","90","","3482.9","0.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","03024b","","","- C61 H60 F9 Fe3 N14 O12 S3 -","- C61 H60 F9 Fe3 N14 O12 S3 -","- C122 H120 F18 Fe6 N28 O24 S6 -","2","1","","Sergey V. Kryatov; Sonia Taktak; Ivan V. Korendovych; Elena V. Rybak-Akimova; József Kaizer; Stéphane Torelli; Xiaopeng Shan; Sanjay Mandal; Vicki L. MacMurdo; Antoni Mairata i Payeras; Lawrence Que","Dioxygen Binding to Complexes with FeII2(μ-OH)2 Cores: Steric Control of Activation Barriers and O2-Adduct Formation","Inorganic Chemistry","2005","44","","85","99","10.1021/ic0485312","","","0.71073","MoKα","","0.0706","0.0565","","","0.1316","0.1379","","","","","","1.046","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308519","13.128","0.001","13.816","0.002","15.971","0.002","72.905","0.002","68.213","0.002","76.613","0.002","2546.4","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H53 F6 Fe2 N9 O8 S2 -","- C46 H53 F6 Fe2 N9 O8 S2 -","- C92 H106 F12 Fe4 N18 O16 S4 -","2","1","","Sergey V. Kryatov; Sonia Taktak; Ivan V. Korendovych; Elena V. Rybak-Akimova; József Kaizer; Stéphane Torelli; Xiaopeng Shan; Sanjay Mandal; Vicki L. MacMurdo; Antoni Mairata i Payeras; Lawrence Que","Dioxygen Binding to Complexes with FeII2(μ-OH)2 Cores: Steric Control of Activation Barriers and O2-Adduct Formation","Inorganic Chemistry","2005","44","","85","99","10.1021/ic0485312","","","0.71073","MoKα","","0.0726","0.0489","","","0.1264","0.1355","","","","","","0.985","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308520","9.9451","0.0003","13.724","0.0003","16.5473","0.0003","90","","104.01","","90","","2191.3","0.09","173","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","96292a","","","- C38 H46 Cl2 Fe2 N8 O12 -","- C38 H46 Cl2 Fe2 N8 O12 -","- C76 H92 Cl4 Fe4 N16 O24 -","2","0.5","","Sergey V. Kryatov; Sonia Taktak; Ivan V. Korendovych; Elena V. Rybak-Akimova; József Kaizer; Stéphane Torelli; Xiaopeng Shan; Sanjay Mandal; Vicki L. MacMurdo; Antoni Mairata i Payeras; Lawrence Que","Dioxygen Binding to Complexes with FeII2(μ-OH)2 Cores: Steric Control of Activation Barriers and O2-Adduct Formation","Inorganic Chemistry","2005","44","","85","99","10.1021/ic0485312","","","0.71073","MoKα","","0.0478","0.0356","","","0.0737","0.078","","","","","","1.066","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308521","11.6706","0.0011","12.1665","0.0011","15.8301","0.0014","90","","108.096","0.002","90","","2136.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 F6 Fe2 N8 O8 S2 -","- C38 H38 F6 Fe2 N8 O8 S2 -","- C76 H76 F12 Fe4 N16 O16 S4 -","2","0.5","","Sergey V. Kryatov; Sonia Taktak; Ivan V. Korendovych; Elena V. Rybak-Akimova; József Kaizer; Stéphane Torelli; Xiaopeng Shan; Sanjay Mandal; Vicki L. MacMurdo; Antoni Mairata i Payeras; Lawrence Que","Dioxygen Binding to Complexes with FeII2(μ-OH)2 Cores: Steric Control of Activation Barriers and O2-Adduct Formation","Inorganic Chemistry","2005","44","","85","99","10.1021/ic0485312","","","0.71073","MoKα","","0.0598","0.0516","","","0.1361","0.1448","","","","","","1.167","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308522","13.518","0.008","18.87","0.01","21.64","0.01","90","","90","","90","","5520","5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","02268","","","- C58 H54 Cl2 Fe2 N8 O10 -","- C58 H54 Cl2 Fe2 N8 O10 -","- C232 H216 Cl8 Fe8 N32 O40 -","4","0.5","","Sergey V. Kryatov; Sonia Taktak; Ivan V. Korendovych; Elena V. Rybak-Akimova; József Kaizer; Stéphane Torelli; Xiaopeng Shan; Sanjay Mandal; Vicki L. MacMurdo; Antoni Mairata i Payeras; Lawrence Que","Dioxygen Binding to Complexes with FeII2(μ-OH)2 Cores: Steric Control of Activation Barriers and O2-Adduct Formation","Inorganic Chemistry","2005","44","","85","99","10.1021/ic0485312","","","0.71073","MoKα","","0.072","0.0587","","","0.1066","0.1132","","","","","","1.022","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308523","20.8033","0.0006","20.8033","0.0006","18.1398","0.0008","90","","90","","120","","6798.7","0.4","120","2","120","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C10 H0.67 Cs4.26 N10 Na1.74 Nb4 O5.33 S11 -","- C10 Cs4.26 N10 Na1.74 Nb4 O5.33333 S11 -","- C60 Cs25.56 N60 Na10.44 Nb24 O32 S66 -","6","0.5","","Bee-Lean Ooi; Inger Søtofte; Maja F. Bendtsen; Astrid Munch; Loa C. Nielsen; Jonas Henriksen","An Unprecedented Tetranuclear Niobium Aqua Ion with a Capping μ4-Sulfido Ligand","Inorganic Chemistry","2005","44","","480","482","10.1021/ic048659j","","","0.71073","MoKα","","0.088","0.0696","","","0.1878","0.202","","","","","","1.071","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308524","20.462","0.0006","20.462","0.0006","18.9592","0.001","90","","90","","90","","7938.1","0.5","295","2","295","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C36 H116 Cl0.5 Cu16 N57.5 Nd6 O106.5 -","- C36 H116 Cl0.5 Cu16 N57.5 Nd6 O106.54 -","- C72 H232 Cl Cu32 N115 Nd12 O213.08 -","2","0.125","","Feng He; Ming-Liang Tong; Xiao-Lan Yu; Xiao-Ming Chen","Controlled Aggregation of Heterometallic Nanoscale Cu12Ln6 Clusters (Ln = GdIII or NdIII) into 2D Coordination Polymers","Inorganic Chemistry","2005","44","","559","565","10.1021/ic048754s","","","0.71073","MoKα","","0.0908","0.0894","","","0.2102","0.2111","","","","","","1.318","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308525","20.3962","0.0004","20.3962","0.0004","18.8438","0.0009","90","","90","","90","","7839.1","0.4","295","2","295","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C36 H116 Cl0.5 Cu16 Gd6 N57.5 O106.5 -","- C36 H116 Cl0.5 Cu16 Gd6 N57.5 O106.54 -","- C72 H232 Cl Cu32 Gd12 N115 O213.08 -","2","0.125","","Feng He; Ming-Liang Tong; Xiao-Lan Yu; Xiao-Ming Chen","Controlled Aggregation of Heterometallic Nanoscale Cu12Ln6 Clusters (Ln = GdIII or NdIII) into 2D Coordination Polymers","Inorganic Chemistry","2005","44","","559","565","10.1021/ic048754s","","","0.71073","MoKα","","0.046","0.0408","","","0.1328","0.1382","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308526","53.1396","0.0006","15.1408","0.0002","27.3641","0.0004","90","","120.407","0.0009","90","","18988.1","0.5","143","2","143","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C84.87 H60.87 Ag6 Cl2.61 F18 O12 P4 S4 -","- C84.87 H60.87 Ag6 Cl2.61 F18 O12 P4 S4 -","- C678.96 H486.96 Ag48 Cl20.88 F144 O96 P32 S32 -","8","1","","Bratislav Djordjevic; Oliver Schuster; Hubert Schmidbaur","A Cyclic Hexamer of Silver Trifluoroacetate Supported by Four Triphenylphosphine Sulfide Template Molecules","Inorganic Chemistry","2005","44","","673","676","10.1021/ic048795o","","","0.71073","MoKα","","0.0528","0.0423","","","0.0892","0.0939","","","","","","1.093","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308527","12.588","0.002","5.0727","0.0005","28.6","0.004","90","","101.229","0.007","90","","1791.3","0.4","295.2","","","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C34 H30 Ag2 F6 O6 S2 -","- C34 H30 Ag2 F6 O6 S2 -","- C68 H60 Ag4 F12 O12 S4 -","2","0.5","","Shu Qin Liu; Takayoshi Kuroda-Sowa; Hisashi Konaka; Yusaku Suenaga; Masahiko Maekawa; Tomonari Mizutani; Gui Ling Ning; Megumu Munakata","Silver(I) Coordination Polymers of Fluorescent Oligo(phenylenevinylene) with π-π Stackings: Luminescence and Conductivity","Inorganic Chemistry","2005","44","","1031","1036","10.1021/ic0400585","","","0.7107","MoKα","","","0.0512","","","","0.1022","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308528","7.949","0.003","8.017","0.003","10.106","0.006","68.85","0.02","89.586","0.007","78.93","0.004","588.1","0.5","150.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Ag2 Cl2 O8 -","- C24 H22 Ag2 Cl2 O8 -","- C24 H22 Ag2 Cl2 O8 -","1","0.5","","Shu Qin Liu; Takayoshi Kuroda-Sowa; Hisashi Konaka; Yusaku Suenaga; Masahiko Maekawa; Tomonari Mizutani; Gui Ling Ning; Megumu Munakata","Silver(I) Coordination Polymers of Fluorescent Oligo(phenylenevinylene) with π-π Stackings: Luminescence and Conductivity","Inorganic Chemistry","2005","44","","1031","1036","10.1021/ic0400585","","","0.7107","MoKα","","","0.0203","","","","0.0537","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308529","8.954","0.002","8.22","0.001","20.057","0.003","90","","105.106","0.007","90","","1425.2","0.4","150.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ag2 B2 F8 O4 -","- C24 H30 Ag2 B2 F8 O4 -","- C48 H60 Ag4 B4 F16 O8 -","2","0.5","","Shu Qin Liu; Takayoshi Kuroda-Sowa; Hisashi Konaka; Yusaku Suenaga; Masahiko Maekawa; Tomonari Mizutani; Gui Ling Ning; Megumu Munakata","Silver(I) Coordination Polymers of Fluorescent Oligo(phenylenevinylene) with π-π Stackings: Luminescence and Conductivity","Inorganic Chemistry","2005","44","","1031","1036","10.1021/ic0400585","","","0.7107","MoKα","","","0.0659","","","","0.1838","","","","","","1.24","","","","has coordinates","287897","2023-11-30","16:40:43",""
"4308530","23.1727","0.0019","7.9042","0.0004","10.9095","0.0009","90","","103.049","0.01","90","","1946.6","0.3","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 V2 -","- C26 H22 V2 -","- C104 H88 V8 -","4","0.5","","Christoph Elschenbroich; Jörn Plackmeyer; Mathias Nowotny; Klaus Harms; Jürgen Pebler; Olaf Burghaus","Di([5]trovacenyl)ethyne, Di([5]trovacenyl)butadiyne, and Di-1,4-([5]trovacenylethynyl)benzene: Electrocommunication and Magnetocommunication Mediated by C\τbC, C\τbCC\τbC and C\τbCC6H4C\τbC Spacers","Inorganic Chemistry","2005","44","","955","963","10.1021/ic040090z","","","0.71073","MoKα","","0.0355","0.0269","","","0.0704","0.0733","","","","","","1.016","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308531","11.1333","0.0009","12.3627","0.0009","15.2079","0.001","90","","91.26","0.009","90","","2092.7","0.3","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 V2 -","- C28 H22 V2 -","- C112 H88 V8 -","4","1","","Christoph Elschenbroich; Jörn Plackmeyer; Mathias Nowotny; Klaus Harms; Jürgen Pebler; Olaf Burghaus","Di([5]trovacenyl)ethyne, Di([5]trovacenyl)butadiyne, and Di-1,4-([5]trovacenylethynyl)benzene: Electrocommunication and Magnetocommunication Mediated by C\τbC, C\τbCC\τbC and C\τbCC6H4C\τbC Spacers","Inorganic Chemistry","2005","44","","955","963","10.1021/ic040090z","","","0.71073","MoKα","","0.095","0.0729","","","0.1851","0.1958","","","","","","1.072","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308532","20.568","0.007","12.213","0.003","26.971","0.008","90","","108.02","0.02","90","","6443","3","383","2","383","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H67 B Fe Hf N14 O6 -","- C72 H67 B Fe Hf N14 O6 -","- C288 H268 B4 Fe4 Hf4 N56 O24 -","4","1","","Yan Z. Voloshin; Oleg A. Varzatskii; Sergey V. Korobko; Viktor Y. Chernii; Sergey V. Volkov; Larisa A. Tomachynski; Vasilii I. Pehn'o; Mikhail Yu. Antipin; Zoya A. Starikova","Ditopic Macropolycyclic Complexes: Synthesis of Hybrid Phthalocyaninoclathrochelates","Inorganic Chemistry","2005","44","","822","824","10.1021/ic048189t","","","0.71073","MoKα","","0.0422","0.0343","","","0.077","0.0838","","","","","","0.726","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308533","12.352","0.001","16.775","0.001","18.199","0.001","83.488","0.001","79.302","0.001","83.831","0.001","3667","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H57 Er3 N10 O9 -","- C81 H54 Er3 N9 O9 -","- C162 H108 Er6 N18 O18 -","2","1","","Flavia Artizzu; Paola Deplano; Luciano Marchiò; Maria Laura Mercuri; Luca Pilia; Angela Serpe; Francesco Quochi; Riccardo Orrù; Fabrizio Cordella; Francesco Meinardi; Riccardo Tubino; Andrea Mura; Giovanni Bongiovanni","Structure and Emission Properties of Er3Q9 (Q = 8-Quinolinolate)","Inorganic Chemistry","2005","44","","840","842","10.1021/ic0483895","","","0.71073","MoKα","","0.0841","0.039","","","0.0487","0.052","","","","","","0.926","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308534","13.564","0.0003","13.564","0.0003","17.015","0.0004","90","","90","","90","","3130.46","0.12","173","2","173","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C160 H112 O32 -","8","1","","Diane A. Dickie; Michael C. Jennings; Hilary A. Jenkins; Jason A. C. Clyburne","A Zinc Carboxylate Network Containing Metal Sites with Low Coordination Numbers","Inorganic Chemistry","2005","44","","828","830","10.1021/ic048443h","","","0.71073","MoKα","","0.0574","0.0396","","","0.0808","0.0885","","","","","","1.041","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308535","23.1334","0.0004","15.9039","0.0002","25.6396","0.0004","90","","90","","90","","9433.1","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C54 H60 O4 Zn2 -","- C54 H60 O4 Zn2 -","- C432 H480 O32 Zn16 -","8","1","","Diane A. Dickie; Michael C. Jennings; Hilary A. Jenkins; Jason A. C. Clyburne","A Zinc Carboxylate Network Containing Metal Sites with Low Coordination Numbers","Inorganic Chemistry","2005","44","","828","830","10.1021/ic048443h","","","0.71073","MoKα","","0.1058","0.0465","","","0.0949","0.1109","","","","","","1.015","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308536","11.1","0.0003","13.68","0.0006","15.717","0.0006","98.866","0.002","90.857","0.002","95.61","0.002","2345.69","0.15","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O6 Zn -","- C24 H24 O6 Zn -","- C96 H96 O24 Zn4 -","4","2","","Diane A. Dickie; Michael C. Jennings; Hilary A. Jenkins; Jason A. C. Clyburne","A Zinc Carboxylate Network Containing Metal Sites with Low Coordination Numbers","Inorganic Chemistry","2005","44","","828","830","10.1021/ic048443h","","","0.71073","MoKα","","0.1162","0.0657","","","0.1806","0.2071","","","","","","1.083","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308537","11.003","0.005","12.974","0.005","22.041","0.005","89.721","0.005","81.283","0.005","70.265","0.005","2923.8","1.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H72 N2 O29 Zn2 -","- C54 H70 N2 O29 Zn2 -","- C108 H140 N4 O58 Zn4 -","2","1","","Subhadip Neogi; Parimal K. Bharadwaj","An Infinite Water Chain Passes through an Array of Zn(II) Metallocycles Built with a Podand Bearing Terminal Carboxylates","Inorganic Chemistry","2005","44","","816","818","10.1021/ic048489a","","","0.71069","MoKα","","0.1046","0.0653","","","0.1376","0.157","","","","","","0.985","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308538","11.052","0.0013","12.8847","0.0015","16.116","0.002","90","","91.861","0.003","90","","2293.7","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H36 N9 S4 Sb Sm -","- C9 H34 N9 S4 Sb Sm -","- C36 H136 N36 S16 Sb4 Sm4 -","4","1","","Ding-xian Jia; Qin-Yu Zhu; Jie Dai; Wen Lu; Wen-Juan Guo","The First Example of Solvothermally Synthesized Thioantimonates(V) with Ethylenediamine Coordinated Lanthanide(III): [Sm(en)4]SbS4.0.5en and [Sm(en)3(H2O)(μ-SbS4)]\ιnfty","Inorganic Chemistry","2005","44","","819","821","10.1021/ic0484957","","","0.7107","MoKα","","0.0326","0.03","","","0.0598","0.0605","","","","","","1.255","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308539","9.2725","0.0006","13.3851","0.0009","14.6863","0.0009","90","","90","","90","","1822.8","0.2","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H26 N6 O S4 Sb Sm -","- C6 H16 N6 O S4 Sb Sm -","- C24 H64 N24 O4 S16 Sb4 Sm4 -","4","0.5","","Ding-xian Jia; Qin-Yu Zhu; Jie Dai; Wen Lu; Wen-Juan Guo","The First Example of Solvothermally Synthesized Thioantimonates(V) with Ethylenediamine Coordinated Lanthanide(III): [Sm(en)4]SbS4.0.5en and [Sm(en)3(H2O)(μ-SbS4)]\ιnfty","Inorganic Chemistry","2005","44","","819","821","10.1021/ic0484957","","","0.7107","MoKα","","0.0221","0.0214","","","0.0499","0.0503","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308540","14.286","0.0002","26.2471","0.0004","11.5842","0.0002","90","","103.271","0.001","90","","4227.68","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Ag2 N10 O14 -","- C40 H44 Ag2 N10 O14 -","- C160 H176 Ag8 N40 O56 -","4","1","","Nancy L. S. Yue; Michael C. Jennings; Richard J. Puddephatt","Disilver(I) Macrocycles: Variation of Cavity Size with Anion Binding","Inorganic Chemistry","2005","44","","1125","1131","10.1021/ic048549c","","","0.71073","MoKα","","0.066","0.0368","","","0.075","0.0831","","","","","","1.038","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308541","10.4961","0.0002","26.9664","0.0005","10.0162","0.0001","90","","117.175","0.001","90","","2522.07","0.08","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Ag2 Cl4 F6 N8 O8 -","- C46 H40 Ag2 Cl4 F6 N8 O8 -","- C92 H80 Ag4 Cl8 F12 N16 O16 -","2","0.5","","Nancy L. S. Yue; Michael C. Jennings; Richard J. Puddephatt","Disilver(I) Macrocycles: Variation of Cavity Size with Anion Binding","Inorganic Chemistry","2005","44","","1125","1131","10.1021/ic048549c","","","0.71073","MoKα","","0.1254","0.0756","","","0.2306","0.2595","","","","","","1.104","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308542","9.1836","0.0004","9.7625","0.0005","14.9279","0.0009","92.418","0.001","105.768","0.002","90.421","0.002","1286.6","0.12","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H40 Ag2 Cl4 F6 N8 O10 S2 -","- C44 H40 Ag2 Cl4 F6 N8 O10 S2 -","- C44 H40 Ag2 Cl4 F6 N8 O10 S2 -","1","0.5","","Nancy L. S. Yue; Michael C. Jennings; Richard J. Puddephatt","Disilver(I) Macrocycles: Variation of Cavity Size with Anion Binding","Inorganic Chemistry","2005","44","","1125","1131","10.1021/ic048549c","","","0.71073","MoKα","","0.0698","0.0538","","","0.1098","0.1177","","","","","","1.115","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308543","16.9602","0.0003","9.5276","0.0002","17.7105","0.0004","90","","113.429","0.001","90","","2625.89","0.1","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C42.5 H41 Ag2 B2 Cl5 F8 N8 O4 -","- C42.5 H41 Ag2 B2 Cl5 F8 N8 O4 -","- C85 H82 Ag4 B4 Cl10 F16 N16 O8 -","2","0.5","","Nancy L. S. Yue; Michael C. Jennings; Richard J. Puddephatt","Disilver(I) Macrocycles: Variation of Cavity Size with Anion Binding","Inorganic Chemistry","2005","44","","1125","1131","10.1021/ic048549c","","","0.71073","MoKα","","0.0678","0.0473","","","0.1271","0.1386","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308544","28.1405","0.0004","21.1149","0.0003","19.6972","0.0003","90","","108.999","0.001","90","","11066.2","0.3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H47 Ag2 Cl4 F12 N8 O5 P2 -","- C46 H47 Ag2 Cl4 F12 N8 O5 P2 -","- C368 H376 Ag16 Cl32 F96 N64 O40 P16 -","8","1","","Nancy L. S. Yue; Michael C. Jennings; Richard J. Puddephatt","Disilver(I) Macrocycles: Variation of Cavity Size with Anion Binding","Inorganic Chemistry","2005","44","","1125","1131","10.1021/ic048549c","","","0.71073","MoKα","","0.0969","0.0694","","","0.1798","0.2014","","","","","","1.046","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308545","28.4093","0.0013","20.7821","0.0007","19.9364","0.0009","90","","109.061","0.002","90","","11125.2","0.8","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H48 Ag2 Cl3 F12 N8 O5.5 P2 -","- C44.5 H48 Ag2 Cl3 F12 N8 O5.5 P2 -","- C356 H384 Ag16 Cl24 F96 N64 O44 P16 -","8","1","","Nancy L. S. Yue; Michael C. Jennings; Richard J. Puddephatt","Disilver(I) Macrocycles: Variation of Cavity Size with Anion Binding","Inorganic Chemistry","2005","44","","1125","1131","10.1021/ic048549c","","","0.71073","MoKα","","0.1253","0.0882","","","0.2384","0.2814","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308546","9.931","0.002","10.952","0.003","10.448","0.002","90","","106.77","0.02","90","","1088","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H4 B K N8 O4 -","- C4 H4 B K N8 O4 -","- C16 H16 B4 K4 N32 O16 -","4","1","","Maura Pellei; Franco Benetollo; Giancarlo Gioia Lobbia; Simone Alidori; Carlo Santini","The First Nitro-Substituted Heteroscorpionate Ligand","Inorganic Chemistry","2005","44","","846","848","10.1021/ic048562x","","","0.71073","MoKα","","0.0456","0.0449","","","0.1189","0.1196","","","","","","1.22","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308547","8.311","0.002","12.782","0.003","19.824","0.004","90","","100.72","0.03","90","","2069.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl Cu N3 O3 -","- C21 H22 Cl Cu N3 O3 -","- C84 H88 Cl4 Cu4 N12 O12 -","4","1","","Mauricio C. B. de Oliveira; Marciela Scarpellini; Ademir Neves; Hernán Terenzi; Adailton J. Bortoluzzi; Bruno Szpoganics; Alessandra Greatti; Antônio S. Mangrich; Emanuel M. de Souza; Pablo M. Fernandez; Marcia R. Soares","Hydrolytic Protein Cleavage Mediated by Unusual Mononuclear Copper(II) Complexes: X-ray Structures and Solution Studies","Inorganic Chemistry","2005","44","","921","929","10.1021/ic0485864","","","0.71073","MoKα","","0.0791","0.0338","","","0.0789","0.0914","","","","","","1.01","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308548","7.807","0.0016","8.8175","0.0018","17.929","0.004","103.89","0.03","90.74","0.03","110.61","0.03","1115","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cl2 Cu N3 O4 -","- C21 H23 Cl2 Cu N3 O4 -","- C42 H46 Cl4 Cu2 N6 O8 -","2","1","","Mauricio C. B. de Oliveira; Marciela Scarpellini; Ademir Neves; Hernán Terenzi; Adailton J. Bortoluzzi; Bruno Szpoganics; Alessandra Greatti; Antônio S. Mangrich; Emanuel M. de Souza; Pablo M. Fernandez; Marcia R. Soares","Hydrolytic Protein Cleavage Mediated by Unusual Mononuclear Copper(II) Complexes: X-ray Structures and Solution Studies","Inorganic Chemistry","2005","44","","921","929","10.1021/ic0485864","","","0.71073","MoKα","","0.0502","0.0311","","","0.0823","0.0857","","","","","","1.067","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308549","13.5474","0.0002","13.5474","0.0002","53.2687","0.0014","90","","90","","90","","9776.5","0.3","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C27 H63 I4 N9 O9 U -","- C27 H63 I4 N9 O9 U -","- C216 H504 I32 N72 O72 U8 -","8","2","","Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine","New Efficient Synthesis of [UI4(MeCN)4]. X-ray Crystal Structures of [UI2(MeCN)7][UI6], [UI4(py)3], and [U(dmf)9]I4","Inorganic Chemistry","2005","44","","1142","1146","10.1021/ic048603p","","","0.71073","MoKα","","0.0824","0.0692","","","0.1669","0.1803","","","","","","1.027","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308550","12.8779","0.0009","11.0818","0.0011","26.5236","0.0015","90","","90","","90","","3785.2","0.5","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C14 H21 I8 N7 U2 -","- C14 H21 I8 N7 U2 -","- C56 H84 I32 N28 U8 -","4","0.25","","Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine","New Efficient Synthesis of [UI4(MeCN)4]. X-ray Crystal Structures of [UI2(MeCN)7][UI6], [UI4(py)3], and [U(dmf)9]I4","Inorganic Chemistry","2005","44","","1142","1146","10.1021/ic048603p","","","0.71073","MoKα","","0.0756","0.0499","","","0.1078","0.1189","","","","","","1.044","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308551","11.3294","0.0003","13.1236","0.0005","15.4734","0.0006","90","","107.094","0.002","90","","2198.99","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 I4 N3 U -","- C15 H15 I4 N3 U -","- C60 H60 I16 N12 U4 -","4","1","","Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine","New Efficient Synthesis of [UI4(MeCN)4]. X-ray Crystal Structures of [UI2(MeCN)7][UI6], [UI4(py)3], and [U(dmf)9]I4","Inorganic Chemistry","2005","44","","1142","1146","10.1021/ic048603p","","","0.71073","MoKα","","0.0277","0.0255","","","0.0594","0.0603","","","","","","1.107","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308552","10.928","0.004","12.915","0.006","17.026","0.01","100.88","0.04","93.53","0.04","99.78","0.03","2315","2","293","2","293","2","","","","","","","laboratory synthesis","8","P -1","-P 1","2","","","","- C49 H40 Cl F6 N3 O P3 Re -","- C49 H40 Cl F6 N3 O P3 Re -","- C98 H80 Cl2 F12 N6 O2 P6 Re2 -","2","1","","Indranil Chakraborty; Bikash Kumar Panda; Jaydip Gangopadhyay; Animesh Chakravorty","Rhenium Chemistry of Azooximes: Oxygen Atom Transfer, Azoimine Chelation, and Imine-Oxime Contrast","Inorganic Chemistry","2005","44","","1054","1060","10.1021/ic0486116","","","0.71073","MoKα","","0.0518","0.0374","","0.1059","0.0801","","","","1.096","1.119","1.119","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4308553","12.502","0.007","10.023","0.005","17.87","0.009","90","","105.13","0.05","90","","2162","2","293","2","293","2","","","","","","","laboratory synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl4 N4 Re -","- C19 H15 Cl4 N4 Re -","- C76 H60 Cl16 N16 Re4 -","4","1","","Indranil Chakraborty; Bikash Kumar Panda; Jaydip Gangopadhyay; Animesh Chakravorty","Rhenium Chemistry of Azooximes: Oxygen Atom Transfer, Azoimine Chelation, and Imine-Oxime Contrast","Inorganic Chemistry","2005","44","","1054","1060","10.1021/ic0486116","","","0.71073","MoKα","","0.0971","0.0629","","0.1847","0.1496","","","","1.072","1.053","1.053","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4308554","10.785","0.002","10.884","0.002","14.212","0.003","78.63","0.03","78.53","0.03","74.49","0.03","1557","0.6","293","2","293","2","","","","","","","laboratory synthesis","7","P -1","-P 1","2","","","","- C32 H31 Cl2 N3 O2 P Re -","- C32 H29 Cl2 N3 O2 P Re -","- C64 H58 Cl4 N6 O4 P2 Re2 -","2","1","","Indranil Chakraborty; Bikash Kumar Panda; Jaydip Gangopadhyay; Animesh Chakravorty","Rhenium Chemistry of Azooximes: Oxygen Atom Transfer, Azoimine Chelation, and Imine-Oxime Contrast","Inorganic Chemistry","2005","44","","1054","1060","10.1021/ic0486116","","","0.71073","MoKα","","0.028","0.0261","","0.0726","0.0666","","","","1.075","1.079","1.079","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4308555","9.343","0.0013","31.912","0.005","15.157","0.003","90","","95.636","0.01","90","","4497.3","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H39 Ag2 F6 N4 O8.5 P2 -","- C42 H39 Ag2 F6 N4 O8.5 P2 -","- C168 H156 Ag8 F24 N16 O34 P8 -","4","1","","Rodney P. Feazell; Cody E. Carson; Kevin K. Klausmeyer","Anion-Dependent Silver(I) Coordination Polymers of the Tridentate Pyridylphosphonite: PPh(3-OCH2C5H4N)2","Inorganic Chemistry","2005","44","","996","1005","10.1021/ic0486365","","","0.71073","MoKα","","0.0797","0.0497","","","0.1073","0.1204","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308556","10.8716","0.0009","11.9998","0.0009","12.1706","0.001","94.502","0.005","100.834","0.005","93.599","0.004","1549.7","0.2","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C21.24 H19.27 Ag2 Cl1.61 F5.99 N2.22 O7.99 P S2 -","- C21.195 H19.196 Ag2 Cl1.608 F5.997 N2.196 O7.998 P S1.999 -","- C42.39 H38.392 Ag4 Cl3.216 F11.994 N4.392 O15.996 P2 S3.998 -","2","1","","Rodney P. Feazell; Cody E. Carson; Kevin K. Klausmeyer","Anion-Dependent Silver(I) Coordination Polymers of the Tridentate Pyridylphosphonite: PPh(3-OCH2C5H4N)2","Inorganic Chemistry","2005","44","","996","1005","10.1021/ic0486365","","","0.71073","MoKα","","0.0755","0.0459","","","0.1136","0.1281","","","","","","1.016","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308557","15.565","0.002","20.999","0.003","28.131","0.004","90","","90","","90","","9195","2","110","2","110","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C80 H80 Ag4 B4 F16 N12 O8 P4 -","- C80 H80 Ag4 B4 F16 N12 O8 P4 -","- C320 H320 Ag16 B16 F64 N48 O32 P16 -","4","1","","Rodney P. Feazell; Cody E. Carson; Kevin K. Klausmeyer","Anion-Dependent Silver(I) Coordination Polymers of the Tridentate Pyridylphosphonite: PPh(3-OCH2C5H4N)2","Inorganic Chemistry","2005","44","","996","1005","10.1021/ic0486365","","","0.71073","MoKα","","0.0542","0.0463","","","0.1123","0.1174","","","","","","1.112","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308558","23.15","0.003","23.15","0.003","8.15","0.0016","90","","90","","90","","4367.8","1.2","297","2","297","2","","","","","","","","6","I -4","I -4","82","","","","- C40 H40 Cl2 Mn N8 O20 -","- C40 H36 Cl2 Mn N8 O20 -","- C160 H144 Cl8 Mn4 N32 O80 -","4","0.5","","Bao-Qing Ma; Hao-Ling Sun; Song Gao","Assembly of Hydrogen Bonded Diamondoid Networks Based on Synthetic Metal-Organic Tetrahedral Nodes","Inorganic Chemistry","2005","44","","837","839","10.1021/ic048648q","","","0.71073","MoKα","","0.0763","0.0662","","","0.1966","0.2062","","","","","","1.075","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308559","23.169","0.003","23.169","0.003","8.2203","0.0016","90","","90","","90","","4412.7","1.2","297","2","297","2","","","","","","","","7","I -4","I -4","82","","","","- C40 H40 Co F12 N8 O12 P2 -","- C40 H32 Co F12 N8 O12 P2 -","- C160 H128 Co4 F48 N32 O48 P8 -","4","0.5","","Bao-Qing Ma; Hao-Ling Sun; Song Gao","Assembly of Hydrogen Bonded Diamondoid Networks Based on Synthetic Metal-Organic Tetrahedral Nodes","Inorganic Chemistry","2005","44","","837","839","10.1021/ic048648q","","","0.71073","MoKα","","0.111","0.0726","","","0.1739","0.1955","","","","","","1.073","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308560","15.778","0.007","25.808","0.011","23.676","0.01","90","","90","","90","","9641","7","293","2","293","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C34 H42 F6 N4 O12.5 P Ru3 -","- C34 H41 F6 N4 O12.5 P Ru3 -","- C272 H328 F48 N32 O100 P8 Ru24 -","8","1","","Jing-Lin Chen; Xu-Dong Zhang; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen","Syntheses and Characterization of Oxo-Centered Triruthenium Compounds with Orthometalated Bipyridine","Inorganic Chemistry","2005","44","","1037","1043","10.1021/ic048681c","","","0.71073","MoKα","","0.0883","0.0838","","","0.1957","0.1978","","","","","","1.212","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308561","16.649","0.003","28.644","0.007","24.366","0.005","90","","95.54","0.019","90","","11566","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H92 Ba5 Cl3.5 N12 O54.5 -","- C78 H92 Ba5 Cl3.5 N12 O54.5 -","- C312 H368 Ba20 Cl14 N48 O218 -","4","1","","Alberto Freiría; Rufina Bastida; M del Carmen Fernández-Fernández; Alejandro Macías; Laura Valencia; Manuel Vicente","Pentanuclear Ba(II) Complex of a Macrocyclic Ligand","Inorganic Chemistry","2005","44","","930","934","10.1021/ic048704n","","","0.71073","MoKα","","0.228","0.0604","","","0.1456","0.1901","","","","","","0.982","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308562","36.904","0.002","16.5445","0.0011","16.0388","0.0011","90","","95.221","0.001","90","","9752","1.1","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- Cs4 Fe6 H70 Na7 O107.5 Si2 W18 -","- Cs4 Fe6 Na O107.5 Si2 W18 -","- Cs16 Fe24 Na4 O430 Si8 W72 -","4","0.5","","Li-Hua Bi; Ulrich Kortz; Saritha Nellutla; Ashley C. Stowe; Johan van Tol; Naresh S. Dalal; Bineta Keita; Louis Nadjo","Structure, Electrochemistry, and Magnetism of the Iron(III)-Substituted Keggin Dimer, [Fe6(OH)3(A-α-GeW9O34(OH)3)2]11-","Inorganic Chemistry","2005","44","","896","903","10.1021/ic048713w","","","0.71073","MoKα","","0.0741","0.0641","","","0.1365","0.1439","","","","","","1.236","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308563","36.981","0.004","16.5759","0.0015","16.0678","0.0015","90","","95.311","0.003","90","","9807.2","1.7","200","2","200","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- Cs4 Fe6 Ge2 H69 Na7 O107 W18 -","- Cs4 Fe6 Ge2 Na O107 W18 -","- Cs16 Fe24 Ge8 Na4 O428 W72 -","4","0.5","","Li-Hua Bi; Ulrich Kortz; Saritha Nellutla; Ashley C. Stowe; Johan van Tol; Naresh S. Dalal; Bineta Keita; Louis Nadjo","Structure, Electrochemistry, and Magnetism of the Iron(III)-Substituted Keggin Dimer, [Fe6(OH)3(A-α-GeW9O34(OH)3)2]11-","Inorganic Chemistry","2005","44","","896","903","10.1021/ic048713w","","","0.71073","MoKα","","0.091","0.0738","","","0.1658","0.175","","","","","","1.132","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308564","14.4639","0.0008","7.7209","0.0004","8.5172","0.0005","90","","126.076","0.002","90","","768.76","0.08","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cu N2 O4 -","- C6 H6 Cu N2 O4 -","- C24 H24 Cu4 N8 O16 -","4","0.5","","J. L. Manson; T. Lancaster; L. C. Chapon; S. J. Blundell; J. A. Schlueter; M. L. Brooks; F. L. Pratt; C. L. Nygren; J. S. Qualls","Cu(HCO2)2(pym) (pym = pyrimidine): Low-Dimensional Magnetic Behavior and Long-Range Ordering in a Quantum-Spin Lattice","Inorganic Chemistry","2005","44","","989","995","10.1021/ic048723x","","","0.71073","MoKα","","0.031","0.0297","","","0.0799","0.0823","","","","","","0.87","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308565","6.6774","0.0003","7.3389","0.0004","10.4329","0.0006","77.323","0.002","87.664","0.002","89.533","0.003","498.38","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 La N O8 S -","- C6 H6 La N O8 S -","- C12 H12 La2 N2 O16 S2 -","2","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.0527","0.0327","","","0.049","0.0515","","","","","","0.927","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308566","6.6459","0.0002","7.304","0.0002","10.3885","0.0003","77.354","0.001","87.4134","0.0011","89.8783","0.0014","491.53","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Ce N O8 S -","- C6 H6 Ce N O8 S -","- C12 H12 Ce2 N2 O16 S2 -","2","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.031","0.0272","","","0.0621","0.063","","","","","","1.063","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308567","6.6182","0.0002","7.2788","0.0002","10.3611","0.0003","77.3539","0.0013","87.3002","0.0012","90.0259","0.0015","486.44","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 N O8 Pr S -","- C6 H6 N O8 Pr S -","- C12 H12 N2 O16 Pr2 S2 -","2","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.0449","0.0369","","","0.0784","0.0805","","","","","","1.022","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308568","7.7941","0.0001","20.7801","0.0005","6.3806","0.0002","90","","106.67","0.0008","90","","989.98","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N Nd O8 S -","- C6 H6 N Nd O8 S -","- C24 H24 N4 Nd4 O32 S4 -","4","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.0468","0.0294","","","0.0599","0.0633","","","","","","0.95","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308569","7.7706","0.0002","20.6308","0.0007","6.3439","0.0002","90","","106.712","0.0014","90","","974.06","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N O8 S Sm -","- C6 H6 N O8 S Sm -","- C24 H24 N4 O32 S4 Sm4 -","4","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.0726","0.0405","","","0.0808","0.0869","","","","","","0.928","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308570","7.7564","0.0002","20.5503","0.0005","6.3399","0.0003","90","","106.824","0.001","90","","967.31","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Eu N O8 S -","- C6 H6 Eu N O8 S -","- C24 H24 Eu4 N4 O32 S4 -","4","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.0665","0.0359","","","0.0752","0.0813","","","","","","0.945","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308571","7.75","0.0001","20.4884","0.0005","6.3379","0.0002","90","","106.719","0.001","90","","963.82","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Gd N O8 S -","- C6 H6 Gd N O8 S -","- C24 H24 Gd4 N4 O32 S4 -","4","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.0535","0.0314","","","0.061","0.0646","","","","","","0.925","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308572","7.737","0.0002","20.3121","0.0006","6.3704","0.0003","90","","106.383","0.001","90","","960.49","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N O8 S Tb -","- C6 H6 N O8 S Tb -","- C24 H24 N4 O32 S4 Tb4 -","4","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.0749","0.0395","","","0.0745","0.0806","","","","","","0.903","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308573","9.2534","0.0004","14.6087","0.0005","7.5751","0.0002","90","","100.413","0.0012","90","","1007.14","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Lu N O8 S -","- C6 H6 Lu N O8 S -","- C24 H24 Lu4 N4 O32 S4 -","4","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.056","0.0317","","","0.0515","0.0556","","","","","","0.913","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308574","9.3243","0.0002","14.7539","0.0004","7.6322","0.0004","90","","100.436","0.0013","90","","1032.59","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Dy N O8 S -","- C6 H6 Dy N O8 S -","- C24 H24 Dy4 N4 O32 S4 -","4","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.0545","0.0284","","","0.0482","0.0518","","","","","","0.929","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308575","9.3076","0.0002","14.7214","0.0003","7.6176","0.0002","90","","100.451","0.0009","90","","1026.46","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Ho N O8 S -","- C6 H6 Ho N O8 S -","- C24 H24 Ho4 N4 O32 S4 -","4","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.0375","0.0252","","","0.0499","0.0515","","","","","","0.956","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308576","9.2921","0.0002","14.6877","0.0003","7.6046","0.0002","90","","100.447","0.0009","90","","1020.67","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Er N O8 S -","- C6 H6 Er N O8 S -","- C24 H24 Er4 N4 O32 S4 -","4","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.0313","0.0223","","","0.046","0.0473","","","","","","0.994","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308577","9.2764","0.0004","14.6665","0.0009","7.5969","0.0006","90","","100.37","0.002","90","","1016.69","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N O8 S Tm -","- C6 H6 N O8 S Tm -","- C24 H24 N4 O32 S4 Tm4 -","4","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.0712","0.032","","","0.0484","0.0531","","","","","","0.866","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308578","9.2635","0.0002","14.6315","0.0004","7.5815","0.0003","90","","100.365","0.0012","90","","1010.82","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N O8 S Yb -","- C6 H6 N O8 S Yb -","- C24 H24 N4 O32 S4 Yb4 -","4","1","","Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo","Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect","Inorganic Chemistry","2005","44","","862","874","10.1021/ic0487575","","","0.71073","MoKα","","0.0704","0.0338","","","0.0586","0.0632","","","","","","0.872","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308579","20.8745","0.0008","20.8745","0.0008","17.2929","0.0009","90","","90","","90","","7535.3","0.6","153","2","153","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H38 Cu F10 N12 Nb2 O2 -","- C30 H38 Cu F10 N12 Nb2 O2 -","- C240 H304 Cu8 F80 N96 Nb16 O16 -","8","0.25","","Heather K. Izumi; Janet E. Kirsch; Charlotte L. Stern; Kenneth R. Poeppelmeier","Examining the Out-of-Center Distortion in the [NbOF5]2- Anion","Inorganic Chemistry","2005","44","","884","895","10.1021/ic048766d","","","0.71073","MoKα","","0.047","0.0341","","","0.0818","0.0897","","","","","","1.089","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308580","8.4034","0.0004","8.4034","0.0004","34.933","0.003","90","","90","","90","","2466.9","0.3","153","2","153","2","","","","","","","","7","P 43","P 4cw","78","Cd(C~5~H~6~N~2~)~4~NbOF~5~","","","- C20 H24 Cd F5 N8 Nb O -","- C20 H24 Cd F5 N8 Nb O -","- C80 H96 Cd4 F20 N32 Nb4 O4 -","4","1","","Heather K. Izumi; Janet E. Kirsch; Charlotte L. Stern; Kenneth R. Poeppelmeier","Examining the Out-of-Center Distortion in the [NbOF5]2- Anion","Inorganic Chemistry","2005","44","","884","895","10.1021/ic048766d","","","0.71073","MoKα","","0.0427","0.0384","","","0.0876","0.0894","","","","","","1.096","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308581","8.8224","0.0014","16.385","0.003","8.902","0.0014","90","","109.27","0.002","90","","1214.7","0.4","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cu F5 N8 Nb O -","- C20 H24 Cu F5 N8 Nb O -","- C40 H48 Cu2 F10 N16 Nb2 O2 -","2","0.5","","Heather K. Izumi; Janet E. Kirsch; Charlotte L. Stern; Kenneth R. Poeppelmeier","Examining the Out-of-Center Distortion in the [NbOF5]2- Anion","Inorganic Chemistry","2005","44","","884","895","10.1021/ic048766d","","","0.71073","MoKα","","0.0499","0.0317","","","0.0779","0.0904","","","","","","1.045","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308582","7.3","0.002","7.3","0.002","15.34","0.005","90","","90","","90","","817.5","0.4","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Caesium-tetracyanoborate","","- C4 B Cs N4 -","- C4 B Cs N4 -","- C16 B4 Cs4 N16 -","4","0.25","","Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling","Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures","Inorganic Chemistry","2005","44","","1015","1022","10.1021/ic048780q","","","0.71073","MoKα","","0.0414","0.0396","","","0.1","0.102","","","","","","1.036","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308583","5.4314","0.0007","5.4314","0.0007","5.4314","0.0007","90","","90","","90","","160.23","0.04","293","2","293","2","","","","","","","","4","P -4 3 m","P -4 2 3","215","","Copper-tetracyanoborate","","- C4 B Cu N4 -","- C4 B Cu N4 -","- C4 B Cu N4 -","1","0.0416667","","Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling","Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures","Inorganic Chemistry","2005","44","","1015","1022","10.1021/ic048780q","","","0.71073","MoKα","","0.0171","0.0165","","","0.0344","0.0346","","","","","","1.025","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308584","5.4815","0.0001","5.4815","0.0001","5.4815","0.0001","90","","90","","90","","164.702","0.005","293","2","293","2","","","","","","","","4","P -4 3 m","P -4 2 3","215","","Lithium-tetracyanoborate","","- C4 B Li N4 -","- C4 B Li N4 -","- C4 B Li N4 -","1","0.0416667","","Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling","Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures","Inorganic Chemistry","2005","44","","1015","1022","10.1021/ic048780q","","","0.71073","MoKα","","0.0482","0.0417","","","0.1124","0.1212","","","","","","1.076","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308585","11.68","0.001","11.68","0.001","11.68","0.001","90","","90","","90","","1593.4","0.2","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Sodium-tetracyanoborate","","- C4 B N4 Na -","- C4 B N4 Na -","- C32 B8 N32 Na8 -","8","0.0416667","","Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling","Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures","Inorganic Chemistry","2005","44","","1015","1022","10.1021/ic048780q","","","0.71073","MoKα","","0.0305","0.0242","","","0.0591","0.0639","","","","","","1.112","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308586","13.908","0.003","9.288","0.001","8.738","0.001","90","","90","","90","","1128.8","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Sodium-tetracyanoborate","","- C8 H8 B N4 Na O -","- C8 H8 B N4 Na O -","- C32 H32 B4 N16 Na4 O4 -","4","0.5","","Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling","Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures","Inorganic Chemistry","2005","44","","1015","1022","10.1021/ic048780q","","","0.71073","MoKα","","0.07","0.0496","","","0.1424","0.1584","","","","","","1.047","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308587","7.132","0.001","7.132","0.001","14.745","0.004","90","","90","","90","","750","0.3","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Ammonium-tetracyanoborate","","- C4 H4 B N5 -","- C4 H4 B N5 -","- C16 H16 B4 N20 -","4","0.25","","Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling","Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures","Inorganic Chemistry","2005","44","","1015","1022","10.1021/ic048780q","","","0.71073","MoKα","","0.0684","0.0446","","","0.1082","0.1203","","","","","","1.066","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308588","8.831","0.001","9.366","0.002","15.061","0.003","90","","90","","90","","1245.7","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ammonium-tetracyanoborate","","- C8 H12 B N5 O -","- C8 H12 B N5 O -","- C32 H48 B4 N20 O4 -","4","0.5","","Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling","Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures","Inorganic Chemistry","2005","44","","1015","1022","10.1021/ic048780q","","","0.71073","MoKα","","0.0876","0.0692","","","0.1932","0.2179","","","","","","1.079","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308589","7.1354","0.0002","7.1354","0.0002","14.8197","0.0006","90","","90","","90","","754.53","0.04","566","2","273","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Rubidium-tetracyanoborate","","- C4 B N4 Rb -","- C4 B N4 Rb -","- C16 B4 N16 Rb4 -","4","0.25","","Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling","Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures","Inorganic Chemistry","2005","44","","1015","1022","10.1021/ic048780q","","","0.71073","MoKα","","0.0414","0.025","","","0.0476","0.0523","","","","","","1.082","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308590","7.0644","0.0004","7.0644","0.0004","14.6791","0.0012","90","","90","","90","","732.57","0.08","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Thallium-tetracyanoborate","","- C4 B N4 Tl -","- C4 B N4 Tl -","- C16 B4 N16 Tl4 -","4","0.25","","Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling","Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures","Inorganic Chemistry","2005","44","","1015","1022","10.1021/ic048780q","","","0.71073","MoKα","","0.0691","0.052","","","0.1326","0.1403","","","","","","1.053","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308591","13.1274","0.0007","12.2635","0.0007","22.2328","0.0012","90","","90","","90","","3579.2","0.3","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- H K5 O17 Si4 U2 -","- H K5 O17 Si4 U2 -","- H8 K40 O136 Si32 U16 -","8","1","","Chih-Shan Chen; Hsien-Ming Kao; Kwang-Hwa Lii","K5(UO2)2[Si4O12(OH)]: A Uranyl Silicate Containing Chains of Four Silicate Tetrahedra Linked by SiO...HOSi Hydrogen Bonds","Inorganic Chemistry","2005","44","","935","940","10.1021/ic0487880","","","0.71073","MoKα","","0.0504","0.0331","","","0.0857","0.0914","","","","","","1.011","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308592","7.457","0.001","10.416","0.001","11.07","0.001","90","","109.63","0.01","90","","809.86","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H20 Mo N2 O4 S -","- C15 H16 Mo N2 O4 S -","- C30 H32 Mo2 N4 O8 S2 -","2","1","","Andrea Erxleben","Interaction of Molybdocene Dichloride with Cysteine-Containing Peptides: Coordination, Regioselective Hydrolysis, and Intramolecular Aminolysis","Inorganic Chemistry","2005","44","","1082","1094","10.1021/ic048824v","","","0.71069","MoKα","","0.0339","0.0255","","0.0929","0.0527","","","","0.979","1.035","1.035","","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4308593","33.5933","0.0017","24.5773","0.0013","33.6567","0.0018","90","","97.711","0.001","90","","27537","2","258","2","258","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H106 N10 Ni2 O24 -","- C53 H63.75 N8 Ni2 O12 -","- C848 H1020 N128 Ni32 O192 -","16","4","","Hyunji Kim; Myunghyun Paik Suh","Flexible Eightfold Interpenetrating Diamondoid Network Generating 1D Channels: Selective Binding with Organic Guests","Inorganic Chemistry","2005","44","","810","812","10.1021/ic048869w","","","0.71073","MoKα","","0.201","0.0925","","","0.2251","0.2564","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308594","15.0126","0.001","15.1206","0.0011","25.0679","0.0017","90","","102.971","0.004","90","","5545.2","0.7","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 Br2 Cl10 Cu2 N6 Ni3 S6 -","- C32 H64 Br2 Cl10 Cu2 N6 Ni3 S6 -","- C128 H256 Br8 Cl40 Cu8 N24 Ni12 S24 -","4","1","","Melissa L. Golden; Curtis M. Whaley; Marilyn V. Rampersad; Joseph H. Reibenspies; Robert D. Hancock; Marcetta Y. Darensbourg","N2S2Ni Metallodithiolate Complexes as Ligands: Structural and Aqueous Solution Quantitative Studies of the Ability of Metal Ions to Form M-S-Ni Bridges to Mercapto Groups Coordinated to Nickel(II). Implications for Acetyl Coenzyme A Synthase","Inorganic Chemistry","2005","44","","875","883","10.1021/ic0489701","","","1.54178","CuKα","","0.0682","0.0438","","","0.0953","0.1055","","","","","","1.051","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308595","11.715","0.002","13.992","0.003","17.51","0.004","100.72","0.004","105.571","0.003","110.265","0.003","2467","0.9","173","2","163","2","","","","","","","","10","P -1","-P 1","2","","","","- C30 H66 B2 Cl2 F8 N6 Ni3 O3 S6 Zn2 -","- C30 H66 B2 Cl2 F8 N6 Ni3 O3 S6 Zn2 -","- C60 H132 B4 Cl4 F16 N12 Ni6 O6 S12 Zn4 -","2","1","","Melissa L. Golden; Curtis M. Whaley; Marilyn V. Rampersad; Joseph H. Reibenspies; Robert D. Hancock; Marcetta Y. Darensbourg","N2S2Ni Metallodithiolate Complexes as Ligands: Structural and Aqueous Solution Quantitative Studies of the Ability of Metal Ions to Form M-S-Ni Bridges to Mercapto Groups Coordinated to Nickel(II). Implications for Acetyl Coenzyme A Synthase","Inorganic Chemistry","2005","44","","875","883","10.1021/ic0489701","","","0.71073","MoKα","","0.0806","0.0544","","","0.135","0.1505","","","","","","1.024","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308596","11.8666","0.0004","11.8666","0.0004","110.29","0.005","90","","90","","120","","13449.9","0.9","110","2","110","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C29 H57 Ag2 Cl2 N7 Ni3 O8 S6 -","- C28.98 H56.97 Ag2 Cl2 N6.99 Ni3 O8 S6 -","- C347.76 H683.64 Ag24 Cl24 N83.88 Ni36 O96 S72 -","12","0.333333","","Melissa L. Golden; Curtis M. Whaley; Marilyn V. Rampersad; Joseph H. Reibenspies; Robert D. Hancock; Marcetta Y. Darensbourg","N2S2Ni Metallodithiolate Complexes as Ligands: Structural and Aqueous Solution Quantitative Studies of the Ability of Metal Ions to Form M-S-Ni Bridges to Mercapto Groups Coordinated to Nickel(II). Implications for Acetyl Coenzyme A Synthase","Inorganic Chemistry","2005","44","","875","883","10.1021/ic0489701","","","1.54178","CuKα","","0.0499","0.043","","","0.1285","0.1314","","","","","","1.073","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308597","11.654","0.005","14.46","0.005","14.901","0.005","113.382","0.005","108.483","0.005","100.432","0.005","2045.6","1.3","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H54 Cl2 N6 Ni3 O8 Pb S6 -","- C27 H54 Cl2 N6 Ni3 O8 Pb S6 -","- C54 H108 Cl4 N12 Ni6 O16 Pb2 S12 -","2","1","","Melissa L. Golden; Curtis M. Whaley; Marilyn V. Rampersad; Joseph H. Reibenspies; Robert D. Hancock; Marcetta Y. Darensbourg","N2S2Ni Metallodithiolate Complexes as Ligands: Structural and Aqueous Solution Quantitative Studies of the Ability of Metal Ions to Form M-S-Ni Bridges to Mercapto Groups Coordinated to Nickel(II). Implications for Acetyl Coenzyme A Synthase","Inorganic Chemistry","2005","44","","875","883","10.1021/ic0489701","","","1.54178","CuKα","","0.0832","0.0561","","","0.1067","0.111","","","","","","1.023","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308598","5.729","0.001","10.846","0.002","11.196","0.002","70.49","0.01","86.85","0.01","89.01","0.01","654.7","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 Mo O8 W -","- C20 H36 Mo O8 W -","- C20 H36 Mo O8 W -","1","0.5","","Malcolm H. Chisholm; Jason S. D'Acchioli; Brian D. Pate; Nathan J. Patmore; Naresh S. Dalal; David J. Zipse","Cations M2(O2CtBu)4+, Where M = Mo and W, and MoW(O2CtBu)4+. Theoretical, Spectroscopic, and Structural Investigations","Inorganic Chemistry","2005","44","","1061","1067","10.1021/ic049081g","","","0.71073","MoKα","","0.0275","0.0236","","","0.0593","0.0608","","","","","","1.056","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308599","5.731","0.001","10.817","0.002","11.206","0.003","70.61","0.01","86.52","0.01","89.05","0.01","654.1","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 O8 W2 -","- C20 H36 O8 W2 -","- C20 H36 O8 W2 -","1","0.5","","Malcolm H. Chisholm; Jason S. D'Acchioli; Brian D. Pate; Nathan J. Patmore; Naresh S. Dalal; David J. Zipse","Cations M2(O2CtBu)4+, Where M = Mo and W, and MoW(O2CtBu)4+. Theoretical, Spectroscopic, and Structural Investigations","Inorganic Chemistry","2005","44","","1061","1067","10.1021/ic049081g","","","0.71073","MoKα","","0.0266","0.0216","","","0.0433","0.0447","","","","","","1.066","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308600","16.767","0.002","10.379","0.002","19.117","0.003","90","","115.61","0.01","90","","3000","0.9","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 F6 O8 P W2 -","- C20 H36 F6 O8 P W2 -","- C80 H144 F24 O32 P4 W8 -","4","0.5","","Malcolm H. Chisholm; Jason S. D'Acchioli; Brian D. Pate; Nathan J. Patmore; Naresh S. Dalal; David J. Zipse","Cations M2(O2CtBu)4+, Where M = Mo and W, and MoW(O2CtBu)4+. Theoretical, Spectroscopic, and Structural Investigations","Inorganic Chemistry","2005","44","","1061","1067","10.1021/ic049081g","","","0.71073","MoKα","","0.0367","0.0249","","","0.0534","0.0564","","","","","","1.066","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308601","10.655","0.0011","11.0705","0.0013","11.8646","0.0013","103.606","0.009","101.826","0.008","100.1","0.009","1294.1","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H74 Fe Mn2 N12 O18 -","- C38 H58 Fe Mn2 N12 O18 -","- C38 H58 Fe Mn2 N12 O18 -","1","0.5","","Federica Bonadio; Maria-Cristina Senna; Jürgen Ensling; Andreas Sieber; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins","Cyano-Bridged Structures Based on [MnII(N3O2-Macrocycle)]2+: A Synthetic, Structural, and Magnetic Study","Inorganic Chemistry","2005","44","","969","978","10.1021/ic049209u","","","0.71073","MoKα","","0.1038","0.0568","","","0.1223","0.1387","","","","","","0.959","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308602","17.7973","0.0017","12.0677","0.0012","9.6736","0.0009","90","","90.408","0.011","90","","2077.6","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Mn N7 Ni O2 -","- C19 H21 Mn N7 Ni O2 -","- C76 H84 Mn4 N28 Ni4 O8 -","4","0.5","","Federica Bonadio; Maria-Cristina Senna; Jürgen Ensling; Andreas Sieber; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins","Cyano-Bridged Structures Based on [MnII(N3O2-Macrocycle)]2+: A Synthetic, Structural, and Magnetic Study","Inorganic Chemistry","2005","44","","969","978","10.1021/ic049209u","","","0.71073","MoKα","","0.0528","0.0362","","","0.0799","0.0833","","","","","","0.857","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308603","17.7871","0.0014","11.7403","0.0008","10.6354","0.0009","90","","90.715","0.01","90","","2220.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Mn N7 O2 Pd -","- C19 H21 Mn N7 O2 Pd -","- C76 H84 Mn4 N28 O8 Pd4 -","4","0.5","","Federica Bonadio; Maria-Cristina Senna; Jürgen Ensling; Andreas Sieber; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins","Cyano-Bridged Structures Based on [MnII(N3O2-Macrocycle)]2+: A Synthetic, Structural, and Magnetic Study","Inorganic Chemistry","2005","44","","969","978","10.1021/ic049209u","","","0.71073","MoKα","","0.0277","0.0245","","","0.0651","0.0665","","","","","","1.068","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308604","18.0503","0.0018","12.2689","0.0008","9.4884","0.001","90","","92.496","0.012","90","","2099.3","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Mn N7 O2 Pt -","- C19 H21 Mn N7 O2 Pt -","- C76 H84 Mn4 N28 O8 Pt4 -","4","0.5","","Federica Bonadio; Maria-Cristina Senna; Jürgen Ensling; Andreas Sieber; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins","Cyano-Bridged Structures Based on [MnII(N3O2-Macrocycle)]2+: A Synthetic, Structural, and Magnetic Study","Inorganic Chemistry","2005","44","","969","978","10.1021/ic049209u","","","0.71073","MoKα","","0.0509","0.0459","","","0.1209","0.1245","","","","","","1.016","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308605","16.3911","0.0014","10.6924","0.0005","41.291","0.003","90","","94.205","0.007","90","","7217.2","0.9","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H82 Cr2 Mn3 N21 O15.5 -","- C57 H67 Cr2 Mn3 N21 O15.5 -","- C228 H268 Cr8 Mn12 N84 O62 -","4","1","","Federica Bonadio; Maria-Cristina Senna; Jürgen Ensling; Andreas Sieber; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins","Cyano-Bridged Structures Based on [MnII(N3O2-Macrocycle)]2+: A Synthetic, Structural, and Magnetic Study","Inorganic Chemistry","2005","44","","969","978","10.1021/ic049209u","","","0.71073","MoKα","","0.1927","0.0772","","","0.1551","0.1993","","","","","","0.819","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308606","16.3916","0.0009","10.5427","0.0003","41.45","0.002","90","","95.248","0.004","90","","7133","0.6","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H84 Fe2 Mn3 N21 O16.5 -","- C57 H84 Fe2 Mn3 N21 O16.5 -","- C228 H336 Fe8 Mn12 N84 O66 -","4","1","","Federica Bonadio; Maria-Cristina Senna; Jürgen Ensling; Andreas Sieber; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins","Cyano-Bridged Structures Based on [MnII(N3O2-Macrocycle)]2+: A Synthetic, Structural, and Magnetic Study","Inorganic Chemistry","2005","44","","969","978","10.1021/ic049209u","","","0.71073","MoKα","","0.069","0.0456","","","0.114","0.1245","","","","","","0.964","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308607","10.817","0.003","11.415","0.003","11.851","0.003","98.17","0.02","92.61","0.02","98.1","0.02","1430.8","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H28 Fe K Mn N9 O4.5 -","- C22 H26 Fe K Mn N9 O4.5 -","- C44 H52 Fe2 K2 Mn2 N18 O9 -","2","1","","Federica Bonadio; Maria-Cristina Senna; Jürgen Ensling; Andreas Sieber; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins","Cyano-Bridged Structures Based on [MnII(N3O2-Macrocycle)]2+: A Synthetic, Structural, and Magnetic Study","Inorganic Chemistry","2005","44","","969","978","10.1021/ic049209u","","","0.71073","MoKα","","0.0713","0.0494","","","0.1202","0.1304","","","","","","1.022","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308608","10.2446","0.0006","42.944","0.004","17.1059","0.0012","90","","102.455","0.007","90","","7348.5","1","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H71 Fe2 Mn3 N21 O8 -","- C57 H63 Fe2 Mn3 N21 O6 -","- C228 H252 Fe8 Mn12 N84 O24 -","4","1","","Federica Bonadio; Maria-Cristina Senna; Jürgen Ensling; Andreas Sieber; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins","Cyano-Bridged Structures Based on [MnII(N3O2-Macrocycle)]2+: A Synthetic, Structural, and Magnetic Study","Inorganic Chemistry","2005","44","","969","978","10.1021/ic049209u","","","0.71073","MoKα","","0.2936","0.1312","","","0.3145","0.3704","","","","","","0.86","","","","has coordinates,has disorder","288183","2023-12-08","14:42:54",""
"4308609","10.007","0.0004","10.007","","10.50284","0.00022","90","","90","","90","","1051.75","0.05","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.24008","","0.46","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308610","9.9172","0.0005","9.9172","","10.46232","0.00028","90","","90","","90","","1028.98","0.06","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.26747","","0.51","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308611","9.82345","0.00035","9.82345","","10.4222","0.0006","90","","90","","90","","1005.74","0.07","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.21552","","0.67","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308612","9.713","0.0005","9.713","","10.3196","0.0008","90","","90","","90","","973.58","0.09","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.24222","","0.51","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308613","9.6395","0.0006","9.6395","","10.2468","0.001","90","","90","","90","","952.13","0.11","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.1822","","0.51","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308614","9.5718","0.0006","9.5718","","10.1813","0.0013","90","","90","","90","","932.8","0.13","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.21991","","0.55","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308615","9.4233","0.0007","9.4233","","10.0338","0.0015","90","","90","","90","","890.99","0.15","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.37391","","0.56","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308616","9.3434","0.0007","9.3434","","9.9487","0.0016","90","","90","","90","","868.51","0.15","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.26919","","0.55","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308617","9.25","0.0009","9.25","","9.8543","0.0017","90","","90","","90","","843.16","0.17","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.27543","","0.61","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308618","9.1729","0.0017","9.1729","","9.726","0.004","90","","90","","90","","818.4","0.4","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.33992","","0.9","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308619","17.34","0.003","17.34","0.003","10.541","0.003","90","","90","","120","","2744.8","1","293","2","293","2","","","","","","","","7","P 63 m c","P 6c -2c","186","","","","- C12 H32 N18 O4 S12 Se4 W4 -","- C12 N21 O3.99 S12 Se4 W4 -","- C24 N42 O7.98 S24 Se8 W8 -","2","0.166667","","M. Sokolov; P. Esparza; R. Hernandez-Molina; J. G. Platas; A. Mederos; J. A. Gavin; R. Llusar; C. Vicent","Preparation and Properties of the Full Series of Cuboidal Clusters [MoxW4-xSe4(H2O)12]n+ (n= 4-6) and Their Derivatives","Inorganic Chemistry","2005","44","","1132","1141","10.1021/ic049298a","","","0.71073","MoKα","","0.0973","0.0672","","","0.1604","0.1885","","","","","","1.106","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308620","12.842","0.004","17.336","0.005","13.594","0.004","90","","98.135","0.006","90","","2996","1.5","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C24 H60 O12 P6 S16 W4 -","- C24 O12 P6 S16 W4 -","- C48 O24 P12 S32 W8 -","2","0.5","","M. Sokolov; P. Esparza; R. Hernandez-Molina; J. G. Platas; A. Mederos; J. A. Gavin; R. Llusar; C. Vicent","Preparation and Properties of the Full Series of Cuboidal Clusters [MoxW4-xSe4(H2O)12]n+ (n= 4-6) and Their Derivatives","Inorganic Chemistry","2005","44","","1132","1141","10.1021/ic049298a","","","0.71073","MoKα","","0.1941","0.0765","","","0.2266","0.2541","","","","","","1.222","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308621","13.409","0.003","14.102","0.004","16.345","0.004","73.292","0.006","88.018","0.006","84.709","0.006","2947.5","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H60 Mo O12 P6 S16 W3 -","- C24 H60 Mo O12 P6 S16 W3 -","- C48 H120 Mo2 O24 P12 S32 W6 -","2","1","","M. Sokolov; P. Esparza; R. Hernandez-Molina; J. G. Platas; A. Mederos; J. A. Gavin; R. Llusar; C. Vicent","Preparation and Properties of the Full Series of Cuboidal Clusters [MoxW4-xSe4(H2O)12]n+ (n= 4-6) and Their Derivatives","Inorganic Chemistry","2005","44","","1132","1141","10.1021/ic049298a","","","0.71073","MoKα","","0.0873","0.0502","","","0.1137","0.1279","","","","","","0.953","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308622","13.3753","0.001","13.899","0.002","16.467","0.003","72.204","0.005","87.584","0.005","84.193","0.005","2899.6","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H60 Mo4 O12 P6 S12 Se4 -","- C24 H60 Mo4 O12 P6 S12 Se4 -","- C48 H120 Mo8 O24 P12 S24 Se8 -","2","1","","M. Sokolov; P. Esparza; R. Hernandez-Molina; J. G. Platas; A. Mederos; J. A. Gavin; R. Llusar; C. Vicent","Preparation and Properties of the Full Series of Cuboidal Clusters [MoxW4-xSe4(H2O)12]n+ (n= 4-6) and Their Derivatives","Inorganic Chemistry","2005","44","","1132","1141","10.1021/ic049298a","","","0.71073","MoKα","","0.0639","0.0407","","","0.1035","0.1315","","","","","","1.157","","","","has coordinates,has disorder","179124","2020-10-21","18:00:00",""
"4308623","13.4014","0.0013","13.657","0.0014","21.563","0.002","95.737","0.002","90.214","0.002","106.734","0.002","3758.3","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H84 O12 P6 S12 Se4 W4 -","- C36 H84 O12 P6 S12 Se4 W4 -","- C72 H168 O24 P12 S24 Se8 W8 -","2","1","","M. Sokolov; P. Esparza; R. Hernandez-Molina; J. G. Platas; A. Mederos; J. A. Gavin; R. Llusar; C. Vicent","Preparation and Properties of the Full Series of Cuboidal Clusters [MoxW4-xSe4(H2O)12]n+ (n= 4-6) and Their Derivatives","Inorganic Chemistry","2005","44","","1132","1141","10.1021/ic049298a","","","0.71073","MoKα","","0.1176","0.0651","","","0.122","0.1377","","","","","","1.034","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308624","20.506","0.004","20.506","0.004","20.506","0.004","90","","90","","90","","8623","3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C7 H11 Cl N O12 Pr -","- C7 H11 Cl N O12.0133 Pr -","- C168 H264 Cl24 N24 O288.32 Pr24 -","24","1","","Bin Zhao; Long Yi; Yan Dai; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Systematic Investigation of the Hydrothermal Syntheses of Pr(III)-PDA (PDA = Pyridine-2,6-dicarboxylate Anion) Metal-Organic Frameworks","Inorganic Chemistry","2005","44","","911","920","10.1021/ic049498m","","","0.71073","MoKα","","0.032","0.0215","","","0.0443","0.0485","","","","","","1.094","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308625","14.127","0.005","11.308","0.004","13.02","0.005","90","","101.972","0.005","90","","2034.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N2 O14 Pr -","- C14 H19 N2 O14 Pr -","- C56 H76 N8 O56 Pr4 -","4","1","","Bin Zhao; Long Yi; Yan Dai; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Systematic Investigation of the Hydrothermal Syntheses of Pr(III)-PDA (PDA = Pyridine-2,6-dicarboxylate Anion) Metal-Organic Frameworks","Inorganic Chemistry","2005","44","","911","920","10.1021/ic049498m","","","0.71073","MoKα","","0.0331","0.0225","","","0.0471","0.0498","","","","","","0.988","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308626","22.3971","0.0006","13.9013","0.0001","17.865","0.0005","90","","114.487","0.001","90","","5062","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H47 N5 O36 Pr3 -","- C35 H15 N5 O36 Pr3 -","- C140 H60 N20 O144 Pr12 -","4","0.5","","Bin Zhao; Long Yi; Yan Dai; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Systematic Investigation of the Hydrothermal Syntheses of Pr(III)-PDA (PDA = Pyridine-2,6-dicarboxylate Anion) Metal-Organic Frameworks","Inorganic Chemistry","2005","44","","911","920","10.1021/ic049498m","","","0.71073","MoKα","","0.1139","0.0784","","","0.1559","0.1779","","","","","","1.162","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308627","11.009","0.003","17.546","0.005","13.489","0.004","90","","101.022","0.004","90","","2557.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O16 Pr2 -","- C21 H9 N3 O16 Pr2 -","- C84 H36 N12 O64 Pr8 -","4","1","","Bin Zhao; Long Yi; Yan Dai; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Systematic Investigation of the Hydrothermal Syntheses of Pr(III)-PDA (PDA = Pyridine-2,6-dicarboxylate Anion) Metal-Organic Frameworks","Inorganic Chemistry","2005","44","","911","920","10.1021/ic049498m","","","0.71073","MoKα","","0.0314","0.0245","","","0.0611","0.0639","","","","","","1.04","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308628","18.8","0.007","6.54","0.002","18.684","0.007","90","","90","","90","","2297.2","1.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 N2 O19 Pr2 S -","- C14 H16 N2 O19 Pr2 S -","- C56 H64 N8 O76 Pr8 S4 -","4","1","","Bin Zhao; Long Yi; Yan Dai; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Systematic Investigation of the Hydrothermal Syntheses of Pr(III)-PDA (PDA = Pyridine-2,6-dicarboxylate Anion) Metal-Organic Frameworks","Inorganic Chemistry","2005","44","","911","920","10.1021/ic049498m","","","0.71073","MoKα","","0.0305","0.0264","","","0.0577","0.059","","","","","","1.082","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308629","10.552","0.004","5.3936","0.0018","33.071","0.011","90","","90.252","0.008","90","","1882.2","1.1","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","PdPQTS","","","- C18 H17 Cl N4 O2 Pd S -","- C18 H17 Cl N4 O2 Pd S -","- C72 H68 Cl4 N16 O8 Pd4 S4 -","4","1","","Subhash Padhye; Zahra Afrasiabi; Ekk Sinn; Jansina Fok; Kapil Mehta; Nigam Rath","Antitumor Metallothiosemicarbazonates: Structure and Antitumor Activity of Palladium Complex of Phenanthrenequinone Thiosemicarbazone","Inorganic Chemistry","2005","44","","1154","1156","10.1021/ic048214v","","","0.71073","MoKα","","0.1715","0.1566","","","0.2799","0.2859","","","","","","1.407","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308630","10.3777","0.0001","16.5849","0.0002","17.953","0.0002","90","","95.596","0.001","90","","3075.22","0.06","100","2","100","2","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Na O2 -","- C10 H13 Na O2 -","- C120 H156 Na12 O24 -","12","3","","Dugald J. MacDougall; Bruce C. Noll; Kenneth W. Henderson","Rational Assembly of Primitive Cubic Networks Using Hexameric Stacks of Sodium Aryloxides as Nodes","Inorganic Chemistry","2005","44","","1181","1183","10.1021/ic048257b","","x-ray","0.71073","MoKα","","0.0487","0.0365","","","0.1032","0.1084","","","","","","1.096","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4308631","10.3782","0.0002","11.1745","0.0002","12.9564","0.0002","65.384","0.001","77.787","0.001","64.896","0.001","1235.87","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sodium 4-fluorophenoxide dioxane","","","- C8 H8 F Na O2 -","- C8 H8 F Na O2 -","- C48 H48 F6 Na6 O12 -","6","3","","Dugald J. MacDougall; Bruce C. Noll; Kenneth W. Henderson","Rational Assembly of Primitive Cubic Networks Using Hexameric Stacks of Sodium Aryloxides as Nodes","Inorganic Chemistry","2005","44","","1181","1183","10.1021/ic048257b","","x-ray","0.71073","MoKα","","0.0406","0.0348","","","0.0978","0.1012","","","","","","1.072","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4308632","11.9721","0.0003","13.3007","0.0003","13.9938","0.0003","65.713","0.001","67.411","0.001","64.905","0.001","1779.06","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sodium 4-fluorophenoxide THF solvate","","","- C68 H88 F6 Na6 O14 -","- C68 H88 F6 Na6 O14 -","- C68 H88 F6 Na6 O14 -","1","0.5","","Dugald J. MacDougall; Bruce C. Noll; Kenneth W. Henderson","Rational Assembly of Primitive Cubic Networks Using Hexameric Stacks of Sodium Aryloxides as Nodes","Inorganic Chemistry","2005","44","","1181","1183","10.1021/ic048257b","","x-ray","0.71073","MoKα","","0.0557","0.0409","","","0.1051","0.1153","","","","","","1.028","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308633","8.622","0.001","8.625","0.001","20.225","0.001","80.007","0.002","78.965","0.002","81.777","0.002","1444.4","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","tetrakis(Acetonitryle)-(2-(2-pyridyl)phenyl-C,N)-ruthenium(ii) hexafluorophosphate, diethyl ether solvate","","- C23 H30 F6 N5 O P Ru -","- C23 H30 F6 N5 O P Ru -","- C46 H60 F12 N10 O2 P2 Ru2 -","2","1","","Alexander D. Ryabov; Ronan Le Lagadec; Hebert Estevez; Ruben A. Toscano; Simon Hernandez; Larissa Alexandrova; Viktoria S. Kurova; Andreas Fischer; Claude Sirlin; Michel Pfeffer","Synthesis, Characterization, and Electrochemistry of Biorelevant Photosensitive Low-Potential Orthometalated Ruthenium Complexes","Inorganic Chemistry","2005","44","","1626","1634","10.1021/ic048270w","","","0.71073","MoKα","","0.0888","0.0683","","","0.1525","0.1617","","","","","","1.072","","","","has coordinates,has disorder","179124","2020-10-21","18:00:00",""
"4308634","8.5645","0.0005","8.7292","0.0005","18.5882","0.0011","97.117","0.001","95.467","0.001","98.523","0.001","1354.57","0.14","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H27 F6 N5 O0.5 P Ru -","- C22 H27 F6 N5 O0.5 P Ru -","- C44 H54 F12 N10 O P2 Ru2 -","2","1","","Alexander D. Ryabov; Ronan Le Lagadec; Hebert Estevez; Ruben A. Toscano; Simon Hernandez; Larissa Alexandrova; Viktoria S. Kurova; Andreas Fischer; Claude Sirlin; Michel Pfeffer","Synthesis, Characterization, and Electrochemistry of Biorelevant Photosensitive Low-Potential Orthometalated Ruthenium Complexes","Inorganic Chemistry","2005","44","","1626","1634","10.1021/ic048270w","","","0.71073","MoKα","","0.0599","0.0534","","","0.1466","0.1527","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308635","13.151","0.005","14.337","0.006","16.066","0.009","108.41","0.02","91.61","0.02","99.86","0.02","2821","2","297","","","","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C28 H32 F6 N5 P Ru -","- C28 F6 N5 P Ru -","- C112 F24 N20 P4 Ru4 -","4","2","","Alexander D. Ryabov; Ronan Le Lagadec; Hebert Estevez; Ruben A. Toscano; Simon Hernandez; Larissa Alexandrova; Viktoria S. Kurova; Andreas Fischer; Claude Sirlin; Michel Pfeffer","Synthesis, Characterization, and Electrochemistry of Biorelevant Photosensitive Low-Potential Orthometalated Ruthenium Complexes","Inorganic Chemistry","2005","44","","1626","1634","10.1021/ic048270w","","","0.71073","MoKα","","0.2597","0.1655","","","0.2518","0.2733","","","","","","2.283","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308636","15.195","0.002","12.169","0.002","16.855","0.002","90","","113.263","0.003","90","","2863.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-bis(Acetonitrile-N)-(2-(4-methylphenyl)pyridine-C,N)- (1,10-phenanthroline-N,N')-ruthenium(ii) hexafluorophosphate","","- C28 H24 F6 N5 P Ru -","- C28 H24 F6 N5 P Ru -","- C112 H96 F24 N20 P4 Ru4 -","4","1","","Alexander D. Ryabov; Ronan Le Lagadec; Hebert Estevez; Ruben A. Toscano; Simon Hernandez; Larissa Alexandrova; Viktoria S. Kurova; Andreas Fischer; Claude Sirlin; Michel Pfeffer","Synthesis, Characterization, and Electrochemistry of Biorelevant Photosensitive Low-Potential Orthometalated Ruthenium Complexes","Inorganic Chemistry","2005","44","","1626","1634","10.1021/ic048270w","","","0.71073","MoKα","","0.2695","0.069","","","0.0832","0.0936","","","","","","0.942","","","","has coordinates,has disorder","179124","2020-10-21","18:00:00",""
"4308637","11.531","0.0011","12.2622","0.0012","17.186","0.002","93.533","0.004","94.226","0.004","103.916","0.004","2344.4","0.4","223","","","","","","","","","","Local laboratory","8","P -1","-P 1","2","","","","- C46 H32 Cl2 F6 N6 O P Ru2 -","- C46 H32 Cl2 F6 N6 O P Ru2 -","- C92 H64 Cl4 F12 N12 O2 P2 Ru4 -","2","1","","Alexander D. Ryabov; Ronan Le Lagadec; Hebert Estevez; Ruben A. Toscano; Simon Hernandez; Larissa Alexandrova; Viktoria S. Kurova; Andreas Fischer; Claude Sirlin; Michel Pfeffer","Synthesis, Characterization, and Electrochemistry of Biorelevant Photosensitive Low-Potential Orthometalated Ruthenium Complexes","Inorganic Chemistry","2005","44","","1626","1634","10.1021/ic048270w","","","0.71073","MoKα","","0.1316","0.0897","","","0.1856","0.2058","","","","","","1.149","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308638","6.483","0.008","21.523","0.004","18.769","0.004","90","","99.394","0.004","90","","2584","3","296.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br4 Fe S11 -","- C13 H8 Br4 Fe S11 -","- C52 H32 Br16 Fe4 S44 -","4","1","","Mingxing Wang; Hideki Fujiwara; Toyonari Sugimoto; Satoru Noguchi; Takekazu Ishida","Ferromagnetic Ordering of Fe(III) d Spins of FeBr4- Ions in (Ethylenedithiotetrathiafulvalenothioquinone-ethylenedithio-1,3-dithiolemethide).FeBr4","Inorganic Chemistry","2005","44","","1184","1186","10.1021/ic0482988","","","0.7107","MoKα","","","0.035","","","","0.048","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308639","13.6221","0.0009","14.5119","0.0008","18.5448","0.001","89.609","0.004","80.735","0.005","67.62","0.005","3339.7","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H103 Al3 N4 O9 -","- C66 H103 Al3 N4 O9 -","- C132 H206 Al6 N8 O18 -","2","1","","S. Shravan Kumar; Sanjay Singh; Herbert W. Roesky; Jörg Magull","Reaction of LAlH2 with tert-Butyl Hydrogenperoxide under C-H Bond Activation and Substitution Leads to the Formation of a Pentacoordinated tert-Butylperoxo Aluminum Compound","Inorganic Chemistry","2005","44","","1199","1201","10.1021/ic048336n","","","0.71073","MoKα","","0.0892","0.0592","","","0.1402","0.1561","","","","","","0.993","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308640","8.9212","0.0002","19.5995","0.0004","11.498","0.0002","90","","101.555","0.0007","90","","1969.69","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H7 Au Cu F10 N3 -","- C18 H7 Au Cu F10 N3 -","- C72 H28 Au4 Cu4 F40 N12 -","4","1","","Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; Manuel Montiel; M. Elena Olmos","Unsupported Gold(I)-Copper(I) Interactions through η1Au-[Au(C6F5)2]- Coordination to Cu+ Lewis Acid Sites","Inorganic Chemistry","2005","44","","1163","1165","10.1021/ic048346o","","","0.71073","MoKα","","0.051","0.0316","","","0.0637","0.0696","","","","","","1.03","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308641","23.795","0.004","10.8068","0.0016","7.5256","0.0015","90","","107.184","0.01","90","","1848.8","0.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","[Ni(3MeOsalamo)(H2O)2]","","","- C18 H22 N2 Ni O8 -","- C18 H22 N2 Ni O8 -","- C72 H88 N8 Ni4 O32 -","4","1","","Shigehisa Akine; Tatsuya Nabeshima","Novel Thiosalamo Ligand as a Remarkably Stable N2S2 Salen-Type Chelate and Synthesis of a Nickel(II) Complex","Inorganic Chemistry","2005","44","","1205","1207","10.1021/ic048347g","","","0.71069","MoKα","","0.1549","0.0741","","","0.1612","0.2095","","","","","","1.013","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308642","8.0198","0.0007","19.6504","0.0014","9.8681","0.0007","90","","94.882","0.003","90","","1549.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Ni(tsalamo)]","","","- C16 H14 N2 Ni O2 S2 -","- C16 H14 N2 Ni O2 S2 -","- C64 H56 N8 Ni4 O8 S8 -","4","1","","Shigehisa Akine; Tatsuya Nabeshima","Novel Thiosalamo Ligand as a Remarkably Stable N2S2 Salen-Type Chelate and Synthesis of a Nickel(II) Complex","Inorganic Chemistry","2005","44","","1205","1207","10.1021/ic048347g","","","0.71069","MoKα","","0.0469","0.0443","","","0.1112","0.1136","","","","","","1.04","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308643","10.7606","0.0017","12.4817","0.0018","16.8606","0.0019","89.042","0.006","83.68","0.006","78.832","0.003","2208.1","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","[Ni3salamo2(OAc)2(EtOH)2]","","","- C42 H52 N4 Ni3 O15 -","- C42 H52 N4 Ni3 O15 -","- C84 H104 N8 Ni6 O30 -","2","1","","Shigehisa Akine; Tatsuya Nabeshima","Novel Thiosalamo Ligand as a Remarkably Stable N2S2 Salen-Type Chelate and Synthesis of a Nickel(II) Complex","Inorganic Chemistry","2005","44","","1205","1207","10.1021/ic048347g","","","0.71069","MoKα","","0.1005","0.0551","","","0.1156","0.1335","","","","","","1.024","","","","has coordinates,has disorder","179124","2020-10-21","18:00:00",""
"4308644","9.6813","0.0012","10.3897","0.0013","10.7623","0.0014","71.088","0.003","64.816","0.002","63.731","0.002","866.08","0.19","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Cu2 N2 O10 -","- C36 H36 Cu2 N2 O10 -","- C36 H36 Cu2 N2 O10 -","1","0.5","","Satoshi Takamizawa; Teruo Saito; Takamasa Akatsuka; Ei-ichi Nakata","Selective Generation of Organic Aggregates Included within Metal-Organic Micropores through Vapor Adsorption","Inorganic Chemistry","2005","44","","1421","1424","10.1021/ic048351s","","","0.71073","MoKα","","0.0735","0.069","","","0.1835","0.1855","","","","","","1.341","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308645","10.0363","0.0009","14.504","0.001","12.044","0.001","90","","103.618","0.002","90","","1703.9","0.2","273.2","","170","2","","","","","","","laboratory preparation","6","P 1 21/n 1","-P 2yn","14","[cis,trans-(L-N2S2)Mo(VI)O2]","[cis,trans-(N,N'-dimethyl-N,N'-bis(phenylthiolate)ethylenediamine- N,N',S,S')dioxomolybdenum(VI)]","","- C16 H18 Mo N2 O2 S2 -","- C16 H18 Mo N2 O2 S2 -","- C64 H72 Mo4 N8 O8 S8 -","4","1","","Michele Mader Cosper; Frank Neese; Andrei V. Astashkin; Michael D. Carducci; Arnold M. Raitsimring; John H. Enemark","Determination of the g-Tensors and Their Orientations for cis,trans-(L-N2S2)MoVOX (X = Cl, SCH2Ph) by Single-Crystal EPR Spectroscopy and Molecular Orbital Calculations","Inorganic Chemistry","2005","44","","1290","1301","10.1021/ic0483850","","","0.7107","MoKα","","0.0311","0.0311","","0.0334","","0.0334","","","1.133","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308646","12.752","0.002","14.617","0.003","16.266","0.003","90","","93.83","0.01","90","","3025.1","1","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 P2 S2 -","- C38 H30 P2 S2 -","- C152 H120 P8 S8 -","4","0.5","","Wolfgang Petz; Christian Kutschera; Maya Heitbaum; Gernot Frenking; Ralf Tonner; Bernhard Neumüller","Experimental and Theoretical Studies of Carbodiphosphorane-CX2 Adducts with Unusual Bonding Situations: Preparation, Crystal Structures, and Bonding Analyses of S2CC(PPh3)2, O2CC(PPh3)2, and [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W)","Inorganic Chemistry","2005","44","","1263","1274","10.1021/ic048397l","","","0.71073","MoKα","","0.0827","0.0515","","","0.1212","0.1343","","","","","","0.893","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4308647","11.939","0.001","17.053","0.001","15.109","0.001","90","","102.86","0.01","90","","2999","0.4","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C38 H30 O2 P2 -","- C38 H30 O2 P2 -","- C152 H120 O8 P8 -","4","1","","Wolfgang Petz; Christian Kutschera; Maya Heitbaum; Gernot Frenking; Ralf Tonner; Bernhard Neumüller","Experimental and Theoretical Studies of Carbodiphosphorane-CX2 Adducts with Unusual Bonding Situations: Preparation, Crystal Structures, and Bonding Analyses of S2CC(PPh3)2, O2CC(PPh3)2, and [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W)","Inorganic Chemistry","2005","44","","1263","1274","10.1021/ic048397l","","","0.71073","MoKα","","0.0454","0.0353","","","0.0826","0.0873","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308648","10.493","0.001","22.302","0.003","20.261","0.002","90","","103.37","0.01","90","","4612.9","0.9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cr O6 P2 S2 -","- C50 H46 Cr O6 P2 S2 -","- C200 H184 Cr4 O24 P8 S8 -","4","1","","Wolfgang Petz; Christian Kutschera; Maya Heitbaum; Gernot Frenking; Ralf Tonner; Bernhard Neumüller","Experimental and Theoretical Studies of Carbodiphosphorane-CX2 Adducts with Unusual Bonding Situations: Preparation, Crystal Structures, and Bonding Analyses of S2CC(PPh3)2, O2CC(PPh3)2, and [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W)","Inorganic Chemistry","2005","44","","1263","1274","10.1021/ic048397l","","","0.71073","MoKα","","0.2288","0.0888","","","0.1715","0.2165","","","","","","0.779","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4308649","10.528","0.001","22.294","0.002","20.505","0.002","90","","102.82","0.01","90","","4692.8","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Mo O6 P2 S2 -","- C50 H46 Mo O6 P2 S2 -","- C200 H184 Mo4 O24 P8 S8 -","4","1","","Wolfgang Petz; Christian Kutschera; Maya Heitbaum; Gernot Frenking; Ralf Tonner; Bernhard Neumüller","Experimental and Theoretical Studies of Carbodiphosphorane-CX2 Adducts with Unusual Bonding Situations: Preparation, Crystal Structures, and Bonding Analyses of S2CC(PPh3)2, O2CC(PPh3)2, and [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W)","Inorganic Chemistry","2005","44","","1263","1274","10.1021/ic048397l","","","0.71073","MoKα","","0.1339","0.058","","","0.1002","0.1231","","","","","","0.919","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4308650","21.394","0.001","17.385","0.001","42.384","0.002","90","","90","","90","","15764.1","1.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H34 O4.5 P2 S2 W -","- C44 H34 O4.5 P2 S2 W -","- C704 H544 O72 P32 S32 W16 -","16","2","","Wolfgang Petz; Christian Kutschera; Maya Heitbaum; Gernot Frenking; Ralf Tonner; Bernhard Neumüller","Experimental and Theoretical Studies of Carbodiphosphorane-CX2 Adducts with Unusual Bonding Situations: Preparation, Crystal Structures, and Bonding Analyses of S2CC(PPh3)2, O2CC(PPh3)2, and [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W)","Inorganic Chemistry","2005","44","","1263","1274","10.1021/ic048397l","","","0.71073","MoKα","","0.0943","0.0497","","","0.0953","0.1088","","","","","","0.969","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4308651","17.24","0.004","11.72","0.003","27.789","0.007","90","","101.434","0.005","90","","5503","2","203.15","","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(MnII3MnIII4L6).7C2H4Cl2","","","- C80 H106 Cl14 Mn7 N12 O30 -","- C80 H78 Cl14 Mn7 N12 O30 -","- C160 H156 Cl28 Mn14 N24 O60 -","2","0.5","","Satoshi Koizumi; Masayuki Nihei; Motohiro Nakano; Hiroki Oshio","Antiferromagnetic FeIII6 Ring and Single-Molecule Magnet MnII3MnIII4 Wheel","Inorganic Chemistry","2005","44","","1208","1210","10.1021/ic0484203","","","0.71073","MoKα","","0.0873","0.0679","","","0.1922","0.2088","","","","","","0.951","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308652","30.208","0.007","30.208","0.007","8.454","0.003","90","","90","","120","","6681","3","203.15","","273","2","","","","","","","","5","R -3 :H","-R 3","148","(FeIII6L6).H2O","","","- C66 H80 Fe6 N12 O31 -","- C66 H78 Fe6 N12 O31.02 -","- C198 H234 Fe18 N36 O93.06 -","3","0.166667","","Satoshi Koizumi; Masayuki Nihei; Motohiro Nakano; Hiroki Oshio","Antiferromagnetic FeIII6 Ring and Single-Molecule Magnet MnII3MnIII4 Wheel","Inorganic Chemistry","2005","44","","1208","1210","10.1021/ic0484203","","","0.71073","MoKα","","0.0722","0.0618","","","0.1929","0.2049","","","","","","1.09","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308653","19.962","0.007","15.533","0.005","12.261","0.004","90","","90.76","0.02","90","","3801","2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H26 N9 O13 Ta -","- C7 H20 N9 O13 Ta -","- C56 H160 N72 O104 Ta8 -","8","1","","Daisy Bayot; Bernard Tinant; Michel Devillers","Homo- and Heterobimetallic NiobiumV and TantalumV Peroxo-tartrate Complexes and Their Use as Molecular Precursors for Nb-Ta Mixed Oxides","Inorganic Chemistry","2005","44","","1554","1562","10.1021/ic0484250","","","0.71069","MoKα","","0.0593","0.0575","","","0.125","0.1258","","","","","","1.145","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308654","19.747","0.007","15.608","0.005","12.295","0.004","90","","90.81","0.02","90","","3789","2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6.5 H24.5 N7.5 Nb O14 -","- C6.5 H19 N7.5 Nb O14 -","- C52 H152 N60 Nb8 O112 -","8","1","","Daisy Bayot; Bernard Tinant; Michel Devillers","Homo- and Heterobimetallic NiobiumV and TantalumV Peroxo-tartrate Complexes and Their Use as Molecular Precursors for Nb-Ta Mixed Oxides","Inorganic Chemistry","2005","44","","1554","1562","10.1021/ic0484250","","","0.71069","MoKα","","0.0571","0.0568","","","0.154","0.1542","","","","","","1.187","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308655","8.5509","0.0008","9.1618","0.0008","11.8131","0.0011","74.262","0.001","87.636","0.002","65.203","0.001","805.85","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H15 Cu6 N S5 -","- C6 H15 Cu6 N S5 -","- C12 H30 Cu12 N2 S10 -","2","1","","Dan Li; Tao Wu","Transformation of Inorganic Sulfur into Organic Sulfur: A Novel Photoluminescent 3-D Polymeric Complex Involving Ligands in Situ Formation","Inorganic Chemistry","2005","44","","1175","1177","10.1021/ic0484856","","","0.71073","MoKα","","0.0557","0.0449","","","0.1078","0.1129","","","","","","1.091","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308656","6.0261","0.0009","6.0261","0.0009","21.577","0.004","90","","90","","120","","678.57","0.19","293","2","293","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Ag4 As2 Hg5 O10 -","- Ag4 As2 Hg5 O10 -","- Ag8 As4 Hg10 O20 -","2","0.333333","","Matthias Weil; Ekkehart Tillmanns; Dmitry Yu. Pushcharovsky","Hydrothermal Single-Crystal Growth in the Systems Ag/Hg/X/O (X = VV, AsV): Crystal Structures of (Ag3Hg)VO4, (Ag2Hg2)3(VO4)4, and (Ag2Hg2)2(HgO2)(AsO4)2 with the Unusual Tetrahedral Cluster Cations (Ag3Hg)3+ and (Ag2Hg2)4+ and Crystal Structure of AgHgVO4","Inorganic Chemistry","2005","44","","1443","1451","10.1021/ic0484912","","","0.71073","MoKα","","0.0501","0.048","","","0.1356","0.1368","","","","","","1.132","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308657","7.7095","0.0002","7.7095","0.0002","4.6714","0.0002","90","","90","","90","","277.651","0.016","293","2","293","2","","","","","","","","4","I -4","I -4","82","Silver mercury vanadate","","","- Ag3 Hg O4 V -","- Ag3 Hg O4 V -","- Ag6 Hg2 O8 V2 -","2","0.25","","Matthias Weil; Ekkehart Tillmanns; Dmitry Yu. Pushcharovsky","Hydrothermal Single-Crystal Growth in the Systems Ag/Hg/X/O (X = VV, AsV): Crystal Structures of (Ag3Hg)VO4, (Ag2Hg2)3(VO4)4, and (Ag2Hg2)2(HgO2)(AsO4)2 with the Unusual Tetrahedral Cluster Cations (Ag3Hg)3+ and (Ag2Hg2)4+ and Crystal Structure of AgHgVO4","Inorganic Chemistry","2005","44","","1443","1451","10.1021/ic0484912","","","0.71073","MoKα","","0.0464","0.0365","","","0.0808","0.0846","","","","","","1.193","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308658","12.6295","0.0013","12.6295","0.0013","12.566","0.003","90","","90","","90","","2004.3","0.6","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","Silver mercury vanadate","","","- Ag6 Hg6 O16 V4 -","- Ag6 Hg6 O16 V4 -","- Ag24 Hg24 O64 V16 -","4","0.25","","Matthias Weil; Ekkehart Tillmanns; Dmitry Yu. Pushcharovsky","Hydrothermal Single-Crystal Growth in the Systems Ag/Hg/X/O (X = VV, AsV): Crystal Structures of (Ag3Hg)VO4, (Ag2Hg2)3(VO4)4, and (Ag2Hg2)2(HgO2)(AsO4)2 with the Unusual Tetrahedral Cluster Cations (Ag3Hg)3+ and (Ag2Hg2)4+ and Crystal Structure of AgHgVO4","Inorganic Chemistry","2005","44","","1443","1451","10.1021/ic0484912","","","0.71073","MoKα","","0.0679","0.0508","","","0.1229","0.1271","","","","","","1.062","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308659","9.9407","0.0018","5.573","0.0008","7.121","0.0019","90","","94.561","0.01","90","","393.25","0.14","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Silver mercury vanadate","","","- Ag Hg O4 V -","- Ag Hg O4 V -","- Ag4 Hg4 O16 V4 -","4","1","","Matthias Weil; Ekkehart Tillmanns; Dmitry Yu. Pushcharovsky","Hydrothermal Single-Crystal Growth in the Systems Ag/Hg/X/O (X = VV, AsV): Crystal Structures of (Ag3Hg)VO4, (Ag2Hg2)3(VO4)4, and (Ag2Hg2)2(HgO2)(AsO4)2 with the Unusual Tetrahedral Cluster Cations (Ag3Hg)3+ and (Ag2Hg2)4+ and Crystal Structure of AgHgVO4","Inorganic Chemistry","2005","44","","1443","1451","10.1021/ic0484912","","","0.71073","MoKα","","0.0442","0.0358","","","0.0847","0.0888","","","","","","1.019","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308660","11.608","0.006","11.909","0.006","15.176","0.007","111.451","0.01","109.693","0.009","95.296","0.009","1781.9","1.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H51 Al N2 O3 -","- C38 H51 Al N2 O3 -","- C76 H102 Al2 N4 O6 -","2","1","","Donald J. Darensbourg; Damon R. Billodeaux","Aluminum Salen Complexes and Tetrabutylammonium Salts: A Binary Catalytic System for Production of Polycarbonates from CO2 and Cyclohexene Oxide","Inorganic Chemistry","2005","44","","1433","1442","10.1021/ic048508g","","","0.71073","MoKα","","0.0904","0.0531","","","0.1212","0.1522","","","","","","1.018","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308661","24.557","0.004","24.557","0.004","10.193","0.002","90","","90","","120","","5323.3","1.6","110","2","110","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H30 N4 O6 -","- C24 H30 N4 O6 -","- C216 H270 N36 O54 -","9","0.5","","Donald J. Darensbourg; Damon R. Billodeaux","Aluminum Salen Complexes and Tetrabutylammonium Salts: A Binary Catalytic System for Production of Polycarbonates from CO2 and Cyclohexene Oxide","Inorganic Chemistry","2005","44","","1433","1442","10.1021/ic048508g","","","0.71073","MoKα","","0.2232","0.1012","","","0.2186","0.267","","","","","","0.772","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4308662","15.977","0.004","28.208","0.007","9.176","0.002","90","","106.069","0.005","90","","3973.9","1.6","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 Al2 Cl2 N4 O4 -","- C45 H40 Al2 Cl2 N4 O4 -","- C180 H160 Al8 Cl8 N16 O16 -","4","1","","Donald J. Darensbourg; Damon R. Billodeaux","Aluminum Salen Complexes and Tetrabutylammonium Salts: A Binary Catalytic System for Production of Polycarbonates from CO2 and Cyclohexene Oxide","Inorganic Chemistry","2005","44","","1433","1442","10.1021/ic048508g","","","0.71073","MoKα","","0.1658","0.0865","","","0.1908","0.2331","","","","","","1.015","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308663","17.223","0.005","10.372","0.003","19.645","0.006","90","","99.558","0.007","90","","3460.6","1.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 Al N2 O2 -","- C38 H55 Al N2 O2 -","- C152 H220 Al4 N8 O8 -","4","1","","Donald J. Darensbourg; Damon R. Billodeaux","Aluminum Salen Complexes and Tetrabutylammonium Salts: A Binary Catalytic System for Production of Polycarbonates from CO2 and Cyclohexene Oxide","Inorganic Chemistry","2005","44","","1433","1442","10.1021/ic048508g","","","0.71073","MoKα","","0.2713","0.099","","","0.2215","0.2851","","","","","","0.888","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308664","10.004","0.009","14.185","0.012","15.389","0.013","115.006","0.014","96.996","0.016","96.653","0.017","1930","3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H57 Al N2 O3 -","- C41 H57 Al N2 O3 -","- C82 H114 Al2 N4 O6 -","2","1","","Donald J. Darensbourg; Damon R. Billodeaux","Aluminum Salen Complexes and Tetrabutylammonium Salts: A Binary Catalytic System for Production of Polycarbonates from CO2 and Cyclohexene Oxide","Inorganic Chemistry","2005","44","","1433","1442","10.1021/ic048508g","","","0.71073","MoKα","","0.075","0.0513","","","0.1195","0.1314","","","","","","1.013","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308665","11.6076","0.0007","12.9334","0.0008","17.352","0.0011","98.003","0.001","93.926","0.001","114.303","0.001","2328.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H35 Ge4 Ir3 O6 -","- C48 H35 Ge4 Ir3 O6 -","- C96 H70 Ge8 Ir6 O12 -","2","1","","Richard D. Adams; Burjor Captain; Jack L. Smith","High-Nuclearity Iridium Carbonyl Clusters Containing Phenylgermyl Ligands: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2005","44","","1413","1420","10.1021/ic0485108","","","0.71073","MoKα","","0.0322","0.028","","","0.0693","0.0718","","","","","","1.018","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308666","10.4442","0.0005","23.0461","0.0011","24.1284","0.0012","90","","90.504","0.001","90","","5807.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H46 Ge4 Ir4 O7 -","- C61 H46 Ge4 Ir4 O7 -","- C244 H184 Ge16 Ir16 O28 -","4","1","","Richard D. Adams; Burjor Captain; Jack L. Smith","High-Nuclearity Iridium Carbonyl Clusters Containing Phenylgermyl Ligands: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2005","44","","1413","1420","10.1021/ic0485108","","","0.71073","MoKα","","0.0445","0.0307","","","0.0667","0.0753","","","","","","1.029","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308667","11.6779","0.0007","12.3335","0.0007","17.2043","0.001","76.525","0.001","89.661","0.001","71.842","0.001","2283.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C95 H73 Ge6 Ir4 O8 -","- C95 H73 Ge6 Ir4 O8 -","- C95 H73 Ge6 Ir4 O8 -","1","0.5","","Richard D. Adams; Burjor Captain; Jack L. Smith","High-Nuclearity Iridium Carbonyl Clusters Containing Phenylgermyl Ligands: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2005","44","","1413","1420","10.1021/ic0485108","","","0.71073","MoKα","","0.0613","0.0492","","","0.1351","0.1428","","","","","","1.104","","","","has coordinates,has disorder","179124","2020-10-21","18:00:00",""
"4308668","12.8208","0.0008","21.496","0.0014","23.5896","0.0015","90","","90.601","0.001","90","","6500.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H52 Cl Ge5 Ir3 O5 -","- C65.5 H52 Cl Ge5 Ir3 O5 -","- C262 H208 Cl4 Ge20 Ir12 O20 -","4","1","","Richard D. Adams; Burjor Captain; Jack L. Smith","High-Nuclearity Iridium Carbonyl Clusters Containing Phenylgermyl Ligands: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2005","44","","1413","1420","10.1021/ic0485108","","","0.71073","MoKα","","0.0484","0.0347","","","0.0961","0.1076","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308669","15.3856","0.0005","15.7158","0.0005","20.5575","0.0006","100.493","0.001","98.208","0.001","118.086","0.001","4159.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C96.5 H76 Cl Ge6 Ir3 O6 -","- C96.5 H76 Cl Ge6 Ir3 O6 -","- C193 H152 Cl2 Ge12 Ir6 O12 -","2","1","","Richard D. Adams; Burjor Captain; Jack L. Smith","High-Nuclearity Iridium Carbonyl Clusters Containing Phenylgermyl Ligands: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2005","44","","1413","1420","10.1021/ic0485108","","","0.71073","MoKα","","0.0504","0.0371","","","0.0795","0.0864","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308670","23.6617","0.001","14.9749","0.0006","19.5807","0.0008","90","","103.784","0.001","90","","6738.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64.5 H55 Cl Ge6 Ir4 O4 -","- C64.5 H55 Cl Ge6 Ir4 O4 -","- C258 H220 Cl4 Ge24 Ir16 O16 -","4","1","","Richard D. Adams; Burjor Captain; Jack L. Smith","High-Nuclearity Iridium Carbonyl Clusters Containing Phenylgermyl Ligands: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2005","44","","1413","1420","10.1021/ic0485108","","","0.71073","MoKα","","0.0391","0.0296","","","0.0749","0.085","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308671","13.871","0.002","13.832","0.002","14.788","0.002","90","","102.302","0.003","90","","2772.1","0.7","168","2","168","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(7) (Cd(TMAP)(N(Si(CH3)3)2))2","","","- C42 H88 Cd2 N8 O2 Si4 -","- C42 H88 Cd2 N8 O2 Si4 -","- C84 H176 Cd4 N16 O4 Si8 -","2","0.5","","Timothy J. Boyle; Scott D. Bunge; Todd M. Alam; Gregory P. Holland; Thomas J. Headley; Gabriel Avilucea","Cadmium Amido Alkoxide and Alkoxide Precursors for the Synthesis of Nanocrystalline CdE (E = S, Se, Te)","Inorganic Chemistry","2005","44","","1309","1318","10.1021/ic0485155","","","0.71073","MoKα","","0.0811","0.0443","","","0.0825","0.094","","","","","","0.998","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308672","9.572","0.001","10.1847","0.001","12.5815","0.0012","98.751","0.001","109.907","0.001","98.741","0.002","1112.09","0.19","203","2","203","2","","","","","","","","6","P -1","-P 1","2","(1) (Cd(ONep)(N(Si(CH3)3)2)(py))2","","","- C32 H68 Cd2 N4 O2 Si4 -","- C32 H68 Cd2 N4 O2 Si4 -","- C32 H68 Cd2 N4 O2 Si4 -","1","0.5","","Timothy J. Boyle; Scott D. Bunge; Todd M. Alam; Gregory P. Holland; Thomas J. Headley; Gabriel Avilucea","Cadmium Amido Alkoxide and Alkoxide Precursors for the Synthesis of Nanocrystalline CdE (E = S, Se, Te)","Inorganic Chemistry","2005","44","","1309","1318","10.1021/ic0485155","","","0.71073","MoKα","","0.033","0.0284","","","0.0638","0.0666","","","","","","1.066","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308673","33.733","0.004","17.768","0.002","23.015","0.003","90","","98.717","0.002","90","","13635","3","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(2) (Cd3(DMP)4(N(Si(CH3)3)2)2(py)2)","","","- C54 H82 Cd3 N4 O4 Si4 -","- C54 H82 Cd3 N4 O4 Si4 -","- C432 H656 Cd24 N32 O32 Si32 -","8","2","","Timothy J. Boyle; Scott D. Bunge; Todd M. Alam; Gregory P. Holland; Thomas J. Headley; Gabriel Avilucea","Cadmium Amido Alkoxide and Alkoxide Precursors for the Synthesis of Nanocrystalline CdE (E = S, Se, Te)","Inorganic Chemistry","2005","44","","1309","1318","10.1021/ic0485155","","","0.71073","MoKα","","0.0979","0.0677","","","0.2113","0.2364","","","","","","1.079","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308674","9.9973","0.0004","13.6501","0.0006","17.4569","0.0008","90","","94.797","0.001","90","","2373.9","0.18","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","(2a) (Cd(DMP)3(N(Si(CH3)3)2)(py)3)","","","- C45 H60 Cd2 N4 O3 Si2 -","- C45 H60 Cd2 N4 O3 Si2 -","- C90 H120 Cd4 N8 O6 Si4 -","2","1","","Timothy J. Boyle; Scott D. Bunge; Todd M. Alam; Gregory P. Holland; Thomas J. Headley; Gabriel Avilucea","Cadmium Amido Alkoxide and Alkoxide Precursors for the Synthesis of Nanocrystalline CdE (E = S, Se, Te)","Inorganic Chemistry","2005","44","","1309","1318","10.1021/ic0485155","","","0.71073","MoKα","","0.0314","0.0283","","","0.0588","0.0612","","","","","","1.041","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308675","17.051","0.002","17.567","0.002","31.225","0.004","90","","90.139","0.003","90","","9353","1.9","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(3) (Cd(N(Si(CH3)3)2)(DIP))2","","","- C36 H70 Cd2 N2 O2 Si4 -","- C36 H70 Cd2 N2 O2 Si4 -","- C288 H560 Cd16 N16 O16 Si32 -","8","2","","Timothy J. Boyle; Scott D. Bunge; Todd M. Alam; Gregory P. Holland; Thomas J. Headley; Gabriel Avilucea","Cadmium Amido Alkoxide and Alkoxide Precursors for the Synthesis of Nanocrystalline CdE (E = S, Se, Te)","Inorganic Chemistry","2005","44","","1309","1318","10.1021/ic0485155","","","0.71073","MoKα","","0.1509","0.1233","","","0.2643","0.2762","","","","","","1.148","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308676","10.1504","0.0017","11.719","0.002","20.749","0.004","90","","99.894","0.003","90","","2431.4","0.7","168","2","168","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(4) (Cd(DBP)(N(Si(CH3)3)2))2","","","- C40 H78 Cd2 N2 O2 Si4 -","- C40 H78 Cd2 N2 O2 Si4 -","- C80 H156 Cd4 N4 O4 Si8 -","2","0.5","","Timothy J. Boyle; Scott D. Bunge; Todd M. Alam; Gregory P. Holland; Thomas J. Headley; Gabriel Avilucea","Cadmium Amido Alkoxide and Alkoxide Precursors for the Synthesis of Nanocrystalline CdE (E = S, Se, Te)","Inorganic Chemistry","2005","44","","1309","1318","10.1021/ic0485155","","","0.71073","MoKα","","0.1498","0.0731","","","0.1355","0.1864","","","","","","1.135","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308677","21.819","0.007","9.497","0.003","22.736","0.007","90","","99.469","0.005","90","","4647","3","168","2","168","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(5) (Cd(DMP)2(py)2)2","","","- C52 H56 Cd2 N4 O4 -","- C52 H56 Cd2 N4 O4 -","- C208 H224 Cd8 N16 O16 -","4","0.5","","Timothy J. Boyle; Scott D. Bunge; Todd M. Alam; Gregory P. Holland; Thomas J. Headley; Gabriel Avilucea","Cadmium Amido Alkoxide and Alkoxide Precursors for the Synthesis of Nanocrystalline CdE (E = S, Se, Te)","Inorganic Chemistry","2005","44","","1309","1318","10.1021/ic0485155","","","0.71073","MoKα","","0.0537","0.0333","","","0.0644","0.07","","","","","","1.034","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308678","16.026","0.005","16.579","0.005","20.494","0.006","90","","90","","90","","5445","3","168","2","168","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(6) (Cd(DIP)2(THF))2","","","- C56 H84 Cd2 O6 -","- C56 H84 Cd2 O6 -","- C224 H336 Cd8 O24 -","4","1","","Timothy J. Boyle; Scott D. Bunge; Todd M. Alam; Gregory P. Holland; Thomas J. Headley; Gabriel Avilucea","Cadmium Amido Alkoxide and Alkoxide Precursors for the Synthesis of Nanocrystalline CdE (E = S, Se, Te)","Inorganic Chemistry","2005","44","","1309","1318","10.1021/ic0485155","","","0.71073","MoKα","","0.0871","0.0501","","","0.0949","0.1088","","","","","","0.991","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308679","8.9688","0.0005","10.928","0.0005","11.7414","0.0007","91.21","0.003","109.454","0.002","97.417","0.003","1073.48","0.1","100.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Au Cl P -","- C26 H19 Au Cl P -","- C52 H38 Au2 Cl2 P2 -","2","1","","Masahisa Osawa; Mikio Hoshino; Munetaka Akita; Tatsuo Wada","Synthesis and Characterization of Phenanthrylphosphine Gold Complex: Observation of Au-Induced Blue-Green Phosphorescence at Room Temperature","Inorganic Chemistry","2005","44","","1157","1159","10.1021/ic048538j","","","0.7107","MoKα","","","0.0385","","","","0.1053","","","","","","1.478","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308680","9.0031","0.0006","10.5751","0.0008","11.1424","0.0007","80.126","0.002","73.148","0.002","75.032","0.002","975.48","0.12","100.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 O P -","- C26 H19 O P -","- C52 H38 O2 P2 -","2","1","","Masahisa Osawa; Mikio Hoshino; Munetaka Akita; Tatsuo Wada","Synthesis and Characterization of Phenanthrylphosphine Gold Complex: Observation of Au-Induced Blue-Green Phosphorescence at Room Temperature","Inorganic Chemistry","2005","44","","1157","1159","10.1021/ic048538j","","","0.7107","MoKα","","","0.0557","","","","0.1403","","","","","","1.661","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308681","7.62079","","11.53322","","8.67176","","90","","101.193","","90","","747.684","","","","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","tetraaquo-bis(5-nitro-pyrimidin-2-olate)-cobalt(ii)","","- C8 H12 Co N6 O10 -","- C8 H4 Co N6 O10 -","- C16 H8 Co2 N12 O20 -","2","0.5","","Elisa Barea; M. Angustias Romero; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Structure, Spectroscopic Properties, and Reversible Solid-to-Solid Reactions of Metal Complexes of 5-Nitro-pyrimidin-2-olate","Inorganic Chemistry","2005","44","","1472","1481","10.1021/ic048539b","","","1.5418","CuKα","","0.076","","","","","0.101","","","","","","4.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308682","7.502977","","11.46582","","8.750554","","90","","101.781","","90","","736.934","","","","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","tetraaquo-bis(5-nitro-pyrimidin-2-olate)-nickel(ii)","","- C8 H12 N6 Ni O10 -","- C6 N6 Ni O4 -","- C12 N12 Ni2 O8 -","2","0.5","","Elisa Barea; M. Angustias Romero; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Structure, Spectroscopic Properties, and Reversible Solid-to-Solid Reactions of Metal Complexes of 5-Nitro-pyrimidin-2-olate","Inorganic Chemistry","2005","44","","1472","1481","10.1021/ic048539b","","","1.5418","CuKα","","0.121","","","","","0.166","","","","","","7.86","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308683","24.8865","","9.67178","","9.44625","","90","","90","","90","","2273.68","","","","298","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","catena bis(5-nitro-pyrimidin-2-olate) cobalt(ii)","","- C8 H4 Co N6 O6 -","- C8 H4 Co N6 O6 -","- C64 H32 Co8 N48 O48 -","8","1","","Elisa Barea; M. Angustias Romero; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Structure, Spectroscopic Properties, and Reversible Solid-to-Solid Reactions of Metal Complexes of 5-Nitro-pyrimidin-2-olate","Inorganic Chemistry","2005","44","","1472","1481","10.1021/ic048539b","","","1.5418","CuKα","","0.097","","","","","0.126","","","","","","1.26","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308684","25.3228","","9.62696","","9.43197","","90","","90","","90","","2299.34","","","","298","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","catena bis(5-nitro-pyrimidin-2-olate) zinc(ii)","","- C8 H4 N6 O6 Zn -","- C8 H4 N6 O6 Zn -","- C64 H32 N48 O48 Zn8 -","8","1","","Elisa Barea; M. Angustias Romero; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Structure, Spectroscopic Properties, and Reversible Solid-to-Solid Reactions of Metal Complexes of 5-Nitro-pyrimidin-2-olate","Inorganic Chemistry","2005","44","","1472","1481","10.1021/ic048539b","","","1.5418","CuKα","","0.098","","","","","0.128","","","","","","1.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308685","18.25","0.008","18.25","0.008","17.1","0.012","90","","90","","120","","4932","5","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","zirconium","Zirconium tris(trimethylsilylamide) dihydrogenamide","","- C18 H58 N4 Si6 Zr -","- C18 H54 N4 Si6 Zr -","- C108 H324 N24 Si36 Zr6 -","6","0.333333","","Xianghua Yu; Zi-Ling Xue","Deprotonation Reactions of Zirconium and Hafnium Amide Complexes H2N-M[N(SiMe3)2]3 and Subsequent Silyl Migration from Amide -N(SiMe3)2 to Imide NH Ligands","Inorganic Chemistry","2005","44","","1505","1510","10.1021/ic0485413","","","0.71073","MoKα","","0.0314","0.0282","","","0.0835","0.1033","","","","","","0.964","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308686","11.666","0.005","12.283","0.005","33.923","0.015","84.513","0.007","85.172","0.008","62.462","0.007","4286","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","zirconium","Zirconium Trimethylsilylamide lithium THF","","- C26 H71 Li N4 O2 Si6 Zr -","- C26 H71 Li N4 O2 Si6 Zr -","- C104 H284 Li4 N16 O8 Si24 Zr4 -","4","2","","Xianghua Yu; Zi-Ling Xue","Deprotonation Reactions of Zirconium and Hafnium Amide Complexes H2N-M[N(SiMe3)2]3 and Subsequent Silyl Migration from Amide -N(SiMe3)2 to Imide NH Ligands","Inorganic Chemistry","2005","44","","1505","1510","10.1021/ic0485413","","","0.71073","MoKα","","0.0619","0.0424","","","0.1169","0.1492","","","","","","0.836","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308687","12.946","0.005","19.674","0.007","33.694","0.012","90","","90","","90","","8582","5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Hafnium","Hafnium Trimethylsilylamide lithium THF","","- C26 H71 Hf Li N4 O2 Si6 -","- C26 H71 Hf Li N4 O2 Si6 -","- C208 H568 Hf8 Li8 N32 O16 Si48 -","8","2","","Xianghua Yu; Zi-Ling Xue","Deprotonation Reactions of Zirconium and Hafnium Amide Complexes H2N-M[N(SiMe3)2]3 and Subsequent Silyl Migration from Amide -N(SiMe3)2 to Imide NH Ligands","Inorganic Chemistry","2005","44","","1505","1510","10.1021/ic0485413","","","0.71073","MoKα","","0.0452","0.034","","","0.0892","0.1115","","","","","","0.978","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308688","20.324","0.005","20.324","0.005","11.976","0.004","90","","90","","90","","4947","2","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(1) [Dy4(ONep)12]*(tol)","","","- C67 H140 Dy4 O12 -","- C60 H132 Dy4 O12 -","- C120 H264 Dy8 O24 -","2","0.25","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0316","0.0264","","","0.0719","0.0735","","","","","","1.117","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308689","17.4909","0.0017","22.228","0.002","18.1697","0.0018","90","","94.911","0.002","90","","7038.2","1.2","168","2","168","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(3) [Dy3(ONep)9(py)2]*(py)0.5","","","- C57.5 H119 Dy3 N2.5 O9 -","- C55 Dy3 N2 O9 -","- C220 Dy12 N8 O36 -","4","0.5","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0896","0.0611","","","0.1564","0.1702","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308690","19.369","0.002","10.7734","0.0013","27.295","0.003","90","","99.308","0.002","90","","5620.7","1.1","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4) [Dy3(OtBu)9(HOtBu)2]","","","- C44 H101 Dy3 O11 -","- C44 H99 Dy3 O11 -","- C176 H396 Dy12 O44 -","4","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0503","0.0398","","","0.0793","0.0843","","","","","","1.079","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308691","16.8708","0.0017","19.803","0.0019","17.6311","0.0018","90","","90","","90","","5890.4","1","203","2","203","2","","","","","","","","4","P b c n","-P 2n 2ab","60","(5) Dy3(OBut)9(THF)2","","","- C44 H97 Dy3 O11 -","- C44 H88 Dy3 O11 -","- C176 H352 Dy12 O44 -","4","0.5","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0818","0.0584","","","0.1219","0.1319","","","","","","1.135","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308692","11.758","0.002","22.32","0.004","14.171","0.003","90","","94.503","0.004","90","","3707.5","1.2","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","(7) [Dy3(DMP)9(NH3)2]*(tol)","","","- C79 H95 Dy3 N2 O9 -","- C79 H95 Dy3 N2 O9 -","- C158 H190 Dy6 N4 O18 -","2","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.1832","0.0963","","","0.1485","0.1806","","","","","","0.991","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4308693","10.712","0.015","13.799","0.02","27.84","0.04","81.94","0.02","87.51","0.02","74.07","0.02","3918","10","168","2","168","2","","","","","","","","5","P -1","-P 1","2","(10) Dy(DMP)3(py)3","","","- C83 H89 Dy2 N7 O6 -","- C83 H89 Dy2 N7 O6 -","- C166 H178 Dy4 N14 O12 -","2","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0987","0.0629","","","0.1282","0.1397","","","","","","1.018","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308694","15.671","0.004","20.199","0.006","29.257","0.008","105.495","0.004","91.344","0.005","111.208","0.004","8245","4","168","2","168","2","","","","","","","","5","P -1","-P 1","2","(11) Dy(DIP)3(NH3)2","","","- C27 H38.5 Dy N2 O3 -","- C35.75 Dy N2 O3 -","- C286 Dy8 N16 O24 -","8","4","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.1329","0.0826","","","0.2269","0.2504","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308695","17.105","0.018","21.56","0.02","9.669","0.01","90","","105.84","0.02","90","","3430","6","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(12) [Dy(DIP)3]2","","","- C72 H102 Dy2 O6 -","- C72 H102 Dy2 O6 -","- C144 H204 Dy4 O12 -","2","0.5","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.1269","0.0702","","","0.1453","0.1718","","","","","","0.936","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308696","9.732","0.0013","19.33","0.003","12.1195","0.0016","90","","109.628","0.002","90","","2147.4","0.5","168","2","168","2","","","","","","","","4","P 1 21 1","P 2yb","4","(13) Dy(DIP)3(THF)3","","","- C44 H67 Dy O5 -","- C44 H67 Dy O5 -","- C88 H134 Dy2 O10 -","2","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.028","0.0234","","","0.0493","0.0507","","","","","","1.018","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308697","18.503","0.003","18.032","0.002","15.808","0.002","90","","96.811","0.002","90","","5237.1","1.2","168","2","168","2","","","","","","","","5","C 1 c 1","C -2yc","9","(14) [Dy(DIP)3(py)3]*(py)","","","- C56 H71 Dy N4 O3 -","- C51 H66 Dy N3 O3 -","- C204 H264 Dy4 N12 O12 -","4","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0601","0.0493","","","0.0998","0.1035","","","","","","0.987","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308698","12.5879","0.0012","14.6871","0.0014","22.87","0.002","90","","105.696","0.002","90","","4070.5","0.7","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(15) Dy(DBP)3(NH3)","","","- C42 H66 Dy N O3 -","- C42 H66 Dy N O3 -","- C168 H264 Dy4 N4 O12 -","4","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0409","0.0328","","","0.0747","0.0779","","","","","","1.057","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4308699","11.2323","0.0008","31.769","0.002","11.548","0.0008","90","","104.997","0.001","90","","3980.4","0.5","168","2","168","2","","","","","","","","4","P 1 21 1","P 2yb","4","(16) Dy(DBP)3","","","- C84 H126 Dy2 O6 -","- C84 H126 Dy2 O6 -","- C168 H252 Dy4 O12 -","2","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0562","0.0466","","","0.084","0.0887","","","","","","1.027","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308700","20.13","0.006","16.367","0.005","26.234","0.008","90","","90","","90","","8643","5","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(17) Dy(DBP)3(THF)","","","- C46 H71 Dy O4 -","- C46 H71 Dy O4 -","- C368 H568 Dy8 O32 -","8","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.079","0.0539","","","0.1067","0.1159","","","","","","1.096","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308701","20.474","0.002","13.702","0.0014","17.5143","0.0018","90","","90","","90","","4913.4","0.9","178","2","178","2","","","","","","","","5","P b c n","-P 2n 2ab","60","(18) Dy(DBP)3(py)2","","","- C52 H73 Dy N2 O3 -","- C52 H73 Dy N2 O3 -","- C208 H292 Dy4 N8 O12 -","4","0.5","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0564","0.0427","","","0.0811","0.086","","","","","","1.142","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308702","14.2341","0.0015","15.4455","0.0016","22.348","0.002","90","","91.675","0.002","90","","4911.2","0.8","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(19) [Dy(m-OSiPh3)(OSiPh3)2]2","","","- C115 H98 Dy2 O6 Si6 -","- C108 H90 Dy2 O6 Si6 -","- C216 H180 Dy4 O12 Si12 -","2","0.5","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0713","0.0486","","","0.0895","0.0955","","","","","","1.058","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308703","14.5532","0.0015","16.4016","0.0017","14.8835","0.0015","90","","115.679","0.001","90","","3201.8","0.6","168","2","168","2","","","","","","","","5","P 1 21 1","P 2yb","4","(20) Dy(TPS)3(THF)3*(THF)","","","- C70 H77 Dy O7 Si3 -","- C70 H77 Dy O7 Si3 -","- C140 H154 Dy2 O14 Si6 -","2","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.03","0.0279","","","0.0633","0.0641","","","","","","0.999","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308704","22.937","0.005","22.937","0.005","12.123","0.005","90","","90","","120","","5523","3","203","2","203","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","(21) [Dy(OSiPh3)3(py)3]","","","- C69 H60 Dy N3 O3 Si3 -","- C69 Dy N3 O3 Si3 -","- C207 Dy3 N9 O9 Si9 -","3","0.166667","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0644","0.064","","","0.1619","0.1623","","","","","","1.149","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308705","13.55","0.005","14.827","0.005","15.009","0.005","90.958","0.005","109.643","0.005","94.52","0.005","2828.1","1.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H110 Ag2 F12 O24 P8 Pt2 S4 -","- C98 H110 Ag2 F12 O24 P8 Pt2 S4 -","- C98 H110 Ag2 F12 O24 P8 Pt2 S4 -","1","0.5","","Nicola Oberbeckmann-Winter; Xavier Morise; Pierre Braunstein; Richard Welter","Synthesis and Structure of Pt(II) Phosphonato-Phosphine Complexes and of a P,O-Stabilized Metal-Metal-Bonded Pt2Ag2 Complex","Inorganic Chemistry","2005","44","","1391","1403","10.1021/ic0485559","","","0.71069","MoKα","","0.0711","0.0499","","","0.1175","0.1381","","","","","","1.124","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308706","32.453","0.005","17.774","0.002","8.834","0.001","90","","90","","90","","5095.6","1.1","173","2","173","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C24 H29 Cl O3 P2 Pt -","- C24 H29 Cl O3 P2 Pt -","- C192 H232 Cl8 O24 P16 Pt8 -","8","","","Nicola Oberbeckmann-Winter; Xavier Morise; Pierre Braunstein; Richard Welter","Synthesis and Structure of Pt(II) Phosphonato-Phosphine Complexes and of a P,O-Stabilized Metal-Metal-Bonded Pt2Ag2 Complex","Inorganic Chemistry","2005","44","","1391","1403","10.1021/ic0485559","","","0.71069","MoKα","","0.0618","0.0318","","","0.0665","0.0755","","","","","","0.871","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308707","11.898","0.0003","13.311","0.0003","16.585","0.0004","90","","90","","90","","2626.64","0.11","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Cl O4 P2 Pt -","- C25 H29 Cl O4 P2 Pt -","- C100 H116 Cl4 O16 P8 Pt4 -","4","1","","Nicola Oberbeckmann-Winter; Xavier Morise; Pierre Braunstein; Richard Welter","Synthesis and Structure of Pt(II) Phosphonato-Phosphine Complexes and of a P,O-Stabilized Metal-Metal-Bonded Pt2Ag2 Complex","Inorganic Chemistry","2005","44","","1391","1403","10.1021/ic0485559","","","0.71069","MoKα","","0.0423","0.0347","","","0.078","0.0815","","","","","","0.871","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308708","16.876","0.002","10.482","0.001","33.257","0.005","90","","90.87","0.05","90","","5882.3","1.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 F3 O6 P2 Pt S -","- C25 H29 F3 O6 P2 Pt S -","- C200 H232 F24 O48 P16 Pt8 S8 -","8","1","","Nicola Oberbeckmann-Winter; Xavier Morise; Pierre Braunstein; Richard Welter","Synthesis and Structure of Pt(II) Phosphonato-Phosphine Complexes and of a P,O-Stabilized Metal-Metal-Bonded Pt2Ag2 Complex","Inorganic Chemistry","2005","44","","1391","1403","10.1021/ic0485559","","","0.71069","MoKα","","0.0579","0.0401","","","0.1001","0.1057","","","","","","1.133","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308709","11.26","0.005","13.878","0.005","16.347","0.005","90.352","0.005","102.141","0.005","101.173","0.005","2447.1","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H57 Cl3 O6 P4 Pt -","- C48 H57 Cl3 O6 P4 Pt -","- C96 H114 Cl6 O12 P8 Pt2 -","2","1","","Nicola Oberbeckmann-Winter; Xavier Morise; Pierre Braunstein; Richard Welter","Synthesis and Structure of Pt(II) Phosphonato-Phosphine Complexes and of a P,O-Stabilized Metal-Metal-Bonded Pt2Ag2 Complex","Inorganic Chemistry","2005","44","","1391","1403","10.1021/ic0485559","","","0.71069","MoKα","","0.0388","0.0322","","","0.0787","0.0811","","","","","","0.99","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308710","11.7","0.003","21.111","0.008","24.369","0.009","76.39","0.03","86.47","0.03","88.36","0.03","5838","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H32 Eu F21 N2 O6 -","- C60 H32 Eu F21 N2 O6 -","- C240 H128 Eu4 F84 N8 O24 -","4","2","","Jiangbo Yu; Liang Zhou; Hongjie Zhang; Youxuan Zheng; Huanrong Li; Ruiping Deng; Zeping Peng; Zhefeng Li","Efficient Electroluminescence from New Lanthanide (Eu3+, Sm3+) Complexes","Inorganic Chemistry","2005","44","","1611","1618","10.1021/ic0485561","","","0.71073","MoKα","","0.225","0.083","","","0.1525","0.1814","","","","","","0.961","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308711","11.6777","0.0004","21.1704","0.0008","24.354","0.0008","76.475","0.002","86.661","0.002","88.435","0.002","5843.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H32 F21 N2 O6 Sm -","- C60 H32 F21 N2 O6 Sm -","- C240 H128 F84 N8 O24 Sm4 -","4","2","","Jiangbo Yu; Liang Zhou; Hongjie Zhang; Youxuan Zheng; Huanrong Li; Ruiping Deng; Zeping Peng; Zhefeng Li","Efficient Electroluminescence from New Lanthanide (Eu3+, Sm3+) Complexes","Inorganic Chemistry","2005","44","","1611","1618","10.1021/ic0485561","","","0.71073","MoKα","","0.1656","0.0775","","","0.1854","0.2194","","","","","","1.013","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308712","4.0981","0.0006","11.159","0.001","12.6825","0.0008","90","","90","","90","","579.98","0.11","296.1","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ge5.6 Sr -","- Ge5.58 Sr -","- Ge22.32 Sr4 -","4","0.25","","Hiroshi Fukuoka; Shoji Yamanaka; Eiichi Matsuoka; Toshiro Takabatake","High-Pressure Synthesis and Transport Properties of a New Binary Germanide, SrGe6-δ (δ ~ 0.5), with a Cagelike Structure","Inorganic Chemistry","2005","44","","1460","1465","10.1021/ic0485615","","","0.7107","MoKα","","","0.019","","","","0.01","","","","","","1.616","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308713","12.981","0.0016","13.1342","0.0014","21.336","0.003","98.214","0.014","98.863","0.015","118.129","0.012","3071.2","0.8","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H100 Eu5 O15 -","- C42 H98 Eu5 O15 -","- C84 H196 Eu10 O30 -","2","2","","Marat Moustiakimov; Mikael Kritikos; Gunnar Westin","First Example of Low-Valence Ion Substitution in Ln5O(OPri)13: Mixed-Valence Europium Oxoalkoxide [EuIII4EuIIO(OPri)12(HOPri)]*HOPri","Inorganic Chemistry","2005","44","","1499","1504","10.1021/ic048575a","","","0.71073","MoKα","","0.0734","0.0715","","","0.1857","0.1873","","","","","","1.032","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4308714","14.1973","0.001","30.075","0.002","20.9403","0.0015","90","0.002","107.275","0.002","90","0.002","8537.8","1","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Pt(Me)(phen)(PC6H5)3](PF6)","","","- C93 H78 F18 N6 P6 Pt3 -","- C31 H26 F6 N2 P2 Pt -","- C372 H312 F72 N24 P24 Pt12 -","12","3","","Raffaello Romeo; Salvatore Carnabuci; Maria Rosaria Plutino; Andrea Romeo; Silvia Rizzato; Alberto Albinati","Structural Properties and Dissociative Fluxional Motion of 2,9-Dimethyl-1,10-Phenanthroline in Platinum(II) Complexes","Inorganic Chemistry","2005","44","","1248","1262","10.1021/ic0485920","","","0.71069","MoKα","","0.0396","0.0276","","","0.0603","0.0646","","","","","","1.039","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308715","12.7849","0.0014","14.5126","0.0015","16.9863","0.0018","103.605","0.002","105.925","0.003","101.266","0.002","2829.5","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Pt(Me)(dmphen)(PMe2(C6H5)](TFPB)","","","- C55 H38 B F24 N2 P Pt -","- C55 H38 B F24 N2 P Pt -","- C110 H76 B2 F48 N4 P2 Pt2 -","2","1","","Raffaello Romeo; Salvatore Carnabuci; Maria Rosaria Plutino; Andrea Romeo; Silvia Rizzato; Alberto Albinati","Structural Properties and Dissociative Fluxional Motion of 2,9-Dimethyl-1,10-Phenanthroline in Platinum(II) Complexes","Inorganic Chemistry","2005","44","","1248","1262","10.1021/ic0485920","","","0.71069","MoKα","","0.0321","0.0275","","","0.0722","0.0745","","","","","","0.93","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4308716","13.941","0.005","14.03","0.005","17.49","0.006","102.594","0.008","109.181","0.008","108.253","0.008","2865.3","1.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","[Pt(Me)(dmphen)(P(i-Pr)3](TFPB)","","","- C56 H48 B F24 N2 P Pt -","- C56 H48 B F24 N2 P Pt -","- C112 H96 B2 F48 N4 P2 Pt2 -","2","1","","Raffaello Romeo; Salvatore Carnabuci; Maria Rosaria Plutino; Andrea Romeo; Silvia Rizzato; Alberto Albinati","Structural Properties and Dissociative Fluxional Motion of 2,9-Dimethyl-1,10-Phenanthroline in Platinum(II) Complexes","Inorganic Chemistry","2005","44","","1248","1262","10.1021/ic0485920","","","0.71073","MoKα","","0.1027","0.0667","","","0.1674","0.1911","","","","","","0.996","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308717","39.5675","0.0016","17.7672","0.0018","19.237","0.004","90","0.002","90","0.002","90","0.002","13524","3","293","2","293","2","","","","","","","","7","A b a 2","A 2 -2ab","41","[Pt(Me)(dmphen)(PCy3)](TFPB)","","","- C56 H48 B F24 N2 P Pt -","- C65 H57 B F24 N2 P Pt -","- C520 H456 B8 F192 N16 P8 Pt8 -","8","","","Raffaello Romeo; Salvatore Carnabuci; Maria Rosaria Plutino; Andrea Romeo; Silvia Rizzato; Alberto Albinati","Structural Properties and Dissociative Fluxional Motion of 2,9-Dimethyl-1,10-Phenanthroline in Platinum(II) Complexes","Inorganic Chemistry","2005","44","","1248","1262","10.1021/ic0485920","","","0.71069","MoKα","","0.0805","0.0465","","","0.1048","0.1212","","","","","","0.994","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4308718","15.2062","0.0014","14.14","0.0013","22.399","0.002","90","","94.527","0.002","90","","4801.1","0.8","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Cu F3 N4 O3 S -","- C9 H12 Cu F3 N4 O3 S -","- C108 H144 Cu12 F36 N48 O36 S12 -","12","3","","Japhet Irangu; Michael J. Ferguson; Robert B. Jordan","Reaction of Copper(II) with Ferrocene and 1,1'-Dimethylferrocene in Aqueous Acetonitrile: The Copper(II/I) Self-Exchange Rate","Inorganic Chemistry","2005","44","","1619","1625","10.1021/ic048614i","","","0.71073","MoKα","","0.1065","0.0827","","","0.2472","0.2706","","","","","","1.071","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4308719","5.7426","0.0009","7.2723","0.0011","10.5221","0.0016","79.855","0.003","84.183","0.003","78.537","0.003","422.92","0.11","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H10 Cu F6 N2 O8 S2 -","- C6 H10 Cu F6 N2 O8 S2 -","- C6 H10 Cu F6 N2 O8 S2 -","1","0.5","","Japhet Irangu; Michael J. Ferguson; Robert B. Jordan","Reaction of Copper(II) with Ferrocene and 1,1'-Dimethylferrocene in Aqueous Acetonitrile: The Copper(II/I) Self-Exchange Rate","Inorganic Chemistry","2005","44","","1619","1625","10.1021/ic048614i","","","0.71073","MoKα","","0.0443","0.042","","","0.1212","0.1236","","","","","","1.061","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308720","13.5406","0.0017","10.8441","0.0014","27.725","0.004","90","","90","","90","","4071","0.9","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H12 Cu F6 N4 O6 S2 -","- C10 H12 Cu F6 N4 O6 S2 -","- C80 H96 Cu8 F48 N32 O48 S16 -","8","1","","Japhet Irangu; Michael J. Ferguson; Robert B. Jordan","Reaction of Copper(II) with Ferrocene and 1,1'-Dimethylferrocene in Aqueous Acetonitrile: The Copper(II/I) Self-Exchange Rate","Inorganic Chemistry","2005","44","","1619","1625","10.1021/ic048614i","","","0.71073","MoKα","","0.0471","0.0391","","","0.1032","0.1083","","","","","","1.04","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308721","6.967","0.001","10.5","0.001","20.501","0.001","90","","90.5","0.003","90","","1499.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H15 B2 Ge4 N3 O12 -","- C4 H11 B2 Ge4 N3 O12 -","- C16 H44 B8 Ge16 N12 O48 -","4","1","","Hong-Xia Zhang; Jie Zhang; Shou-Tian Zheng; Guo-Yu Yang","(C4N3H15)[(BO2)2(GeO2)4]: The First Organically Templated 3D Borogermanate Showing 1D 12-Rings, Large Channels, and a Novel Zeolite-type Framework Topology Constructed from Ge8O24 and B2O7 Cluster Units","Inorganic Chemistry","2005","44","","1166","1168","10.1021/ic048658r","","","0.71073","MoKα","","0.0323","0.0278","","","0.0736","0.0758","","","","","","1.074","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308722","20.321","0.009","15.106","0.007","9.863","0.005","90","","94.243","0.009","90","","3019","2","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","OEP-NH2","","","- C36 H47 N5 -","- C36 H47 N5 -","- C144 H188 N20 -","4","1","","Natasza Sprutta; Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","Metal Complexes of meso-Amino-octaethylporphyrin and the Oxidation of NiII(meso-amino-octaethylporphyrin)","Inorganic Chemistry","2005","44","","1452","1459","10.1021/ic0486623","","","0.71073","MoKα","","0.098","0.0813","","","0.197","0.2071","","","","","","1.077","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4308723","14.7645","0.0012","14.7645","0.0012","13.9225","0.0014","90","","90","","90","","3035","0.5","130","2","130","2","","","","","","","","4","I 41/a :2","-I 4ad","88","Ni(OEP-NH2)","","","- C36 H45 N5 Ni -","- C36 H45 N5 Ni -","- C144 H180 N20 Ni4 -","4","0.25","","Natasza Sprutta; Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","Metal Complexes of meso-Amino-octaethylporphyrin and the Oxidation of NiII(meso-amino-octaethylporphyrin)","Inorganic Chemistry","2005","44","","1452","1459","10.1021/ic0486623","","","1.54178","CuKα","","0.0354","0.0313","","","0.076","0.0783","","","","","","1.111","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4308724","4.7346","0.0009","13.096","0.003","13.422","0.003","65.95","0.03","89.64","0.03","86.76","0.03","758.6","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","Cu(OEP-NH2)","","","- C36 H45 Cu N5 -","- C36 H45 Cu N5 -","- C36 H45 Cu N5 -","1","0.5","","Natasza Sprutta; Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","Metal Complexes of meso-Amino-octaethylporphyrin and the Oxidation of NiII(meso-amino-octaethylporphyrin)","Inorganic Chemistry","2005","44","","1452","1459","10.1021/ic0486623","","","1.54178","CuKα","","0.0428","0.0391","","","0.0963","0.1014","","","","","","1.051","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4308725","17.447","0.006","14.066","0.005","29.452","0.01","90","","105.648","0.006","90","","6960","4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sr80z","","","- C38 H48 N4 Ni O3 -","- C38 H48 N4 Ni O3 -","- C304 H384 N32 Ni8 O24 -","8","2","","Natasza Sprutta; Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","Metal Complexes of meso-Amino-octaethylporphyrin and the Oxidation of NiII(meso-amino-octaethylporphyrin)","Inorganic Chemistry","2005","44","","1452","1459","10.1021/ic0486623","","","0.71073","MoKα","","0.0846","0.0662","","","0.1648","0.1805","","","","","","1.085","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308726","10.377","0.005","18.774","0.009","16.048","0.007","90","","105.06","0.06","90","","3019","3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H63 Cd Cl2 N6 O15.5 -","- C50 H62 Cd Cl2 N6 O15.5 -","- C100 H124 Cd2 Cl4 N12 O31 -","2","1","","Chuan-De Wu; Wenbin Lin","Self-Assembly of Homochiral Porous Solids Based on 1D Cadmium(II) Coordination Polymers","Inorganic Chemistry","2005","44","","1178","1180","10.1021/ic048671b","","","0.71073","MoKα","","","0.0908","","","0.2316","0.2606","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308727","14.4302","0.0008","17.817","0.0011","19.3072","0.0009","90","","90","","90","","4963.9","0.5","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C78 H76 Cd Cl2 N4 O16 -","- C78 H68 Cd Cl2 N4 O16 -","- C156 H136 Cd2 Cl4 N8 O32 -","2","0.5","","Chuan-De Wu; Wenbin Lin","Self-Assembly of Homochiral Porous Solids Based on 1D Cadmium(II) Coordination Polymers","Inorganic Chemistry","2005","44","","1178","1180","10.1021/ic048671b","","","0.71073","MoKα","","","0.1226","","","0.2959","0.3646","","","","","","1.02","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308728","17.6718","0.0005","34.1179","0.0009","32.3479","0.0006","90","","90","","90","","19503.3","0.8","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C87 H94 Cd Cl5 N4 O22 -","- C86 H60 Cd Cl5 N4 O22 -","- C688 H480 Cd8 Cl40 N32 O176 -","8","1","","Chuan-De Wu; Wenbin Lin","Self-Assembly of Homochiral Porous Solids Based on 1D Cadmium(II) Coordination Polymers","Inorganic Chemistry","2005","44","","1178","1180","10.1021/ic048671b","","","0.71073","MoKα","","","0.1185","","","0.2637","0.2801","","","","","","1.195","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308729","12.481","0.0002","23.5392","0.0003","30.916","0.0004","90","","96.877","0.001","90","","9017.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- K13 Ni1.5 O88.75 Si2 W18 -","- K13 Ni1.5 O88.75 Si2 W18 -","- K52 Ni6 O355 Si8 W72 -","4","1","","Nathalie Leclerc-Laronze; Jérôme Marrot; Gilbert Hervé","Cation-Directed Synthesis of Tungstosilicates. 2. Synthesis, Structure, and Characterization of the Open Wells-Dawson Anion α-[{K(H2O)2}(Si2W18O66)]15- and Its Transiton-Metal Derivatives [{M(H2O)}(μ-H2O)2K(Si2W18O66)]13- and [{M(H2O)}(μ-H2O)2K{M(H2O)4}(Si2W18O66)]11-","Inorganic Chemistry","2005","44","","1275","1281","10.1021/ic0486769","","","0.71073","MoKα","","0.1648","0.0707","","","0.1248","0.1562","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308730","12.9268","0.0006","18.9009","0.001","20.9911","0.0011","72.357","0.003","77.377","0.002","75.64","0.002","4677.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Co K14 O95 Si2 W18 -","- Co K14 O95 Si2 W18 -","- Co2 K28 O190 Si4 W36 -","2","1","","Nathalie Leclerc-Laronze; Jérôme Marrot; Gilbert Hervé","Cation-Directed Synthesis of Tungstosilicates. 2. Synthesis, Structure, and Characterization of the Open Wells-Dawson Anion α-[{K(H2O)2}(Si2W18O66)]15- and Its Transiton-Metal Derivatives [{M(H2O)}(μ-H2O)2K(Si2W18O66)]13- and [{M(H2O)}(μ-H2O)2K{M(H2O)4}(Si2W18O66)]11-","Inorganic Chemistry","2005","44","","1275","1281","10.1021/ic0486769","","","0.71073","MoKα","","0.053","0.0308","","","0.0806","0.0993","","","","","","1.044","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308731","12.4749","0.0002","15.3716","0.0002","25.0846","0.0002","94.221","0.001","95.451","0.001","111.53","0.001","4423.68","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- K14.74 Ni0.63 O88.85 Si2 W18 -","- K13.65 Ni0.63 O88.85 Si2 W18 -","- K27.3 Ni1.26 O177.7 Si4 W36 -","2","1","","Nathalie Leclerc-Laronze; Jérôme Marrot; Gilbert Hervé","Cation-Directed Synthesis of Tungstosilicates. 2. Synthesis, Structure, and Characterization of the Open Wells-Dawson Anion α-[{K(H2O)2}(Si2W18O66)]15- and Its Transiton-Metal Derivatives [{M(H2O)}(μ-H2O)2K(Si2W18O66)]13- and [{M(H2O)}(μ-H2O)2K{M(H2O)4}(Si2W18O66)]11-","Inorganic Chemistry","2005","44","","1275","1281","10.1021/ic0486769","","","0.71073","MoKα","","0.1313","0.078","","","0.181","0.1988","","","","","","0.96","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308732","12.7063","0.0001","18.87","0.0003","20.0911","0.0002","73.9","0.001","74.938","0.001","71.785","0.001","4316.47","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Cu K14 O89.5 Si2 W18 -","- Cu K14 O89.5 Si2 W18 -","- Cu2 K28 O179 Si4 W36 -","2","1","","Nathalie Leclerc-Laronze; Jérôme Marrot; Gilbert Hervé","Cation-Directed Synthesis of Tungstosilicates. 2. Synthesis, Structure, and Characterization of the Open Wells-Dawson Anion α-[{K(H2O)2}(Si2W18O66)]15- and Its Transiton-Metal Derivatives [{M(H2O)}(μ-H2O)2K(Si2W18O66)]13- and [{M(H2O)}(μ-H2O)2K{M(H2O)4}(Si2W18O66)]11-","Inorganic Chemistry","2005","44","","1275","1281","10.1021/ic0486769","","","0.71073","MoKα","","0.0981","0.0565","","","0.1109","0.1242","","","","","","0.918","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308733","12.4142","0.0001","23.5556","0.0004","31.0844","0.0005","90","","96.378","0.001","90","","9033.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- K12 Mn2 O91 Si2 W18 -","- K12 Mn2 O91 Si2 W18 -","- K48 Mn8 O364 Si8 W72 -","4","1","","Nathalie Leclerc-Laronze; Jérôme Marrot; Gilbert Hervé","Cation-Directed Synthesis of Tungstosilicates. 2. Synthesis, Structure, and Characterization of the Open Wells-Dawson Anion α-[{K(H2O)2}(Si2W18O66)]15- and Its Transiton-Metal Derivatives [{M(H2O)}(μ-H2O)2K(Si2W18O66)]13- and [{M(H2O)}(μ-H2O)2K{M(H2O)4}(Si2W18O66)]11-","Inorganic Chemistry","2005","44","","1275","1281","10.1021/ic0486769","","","0.71073","MoKα","","0.133","0.0767","","","0.1718","0.1899","","","","","","0.875","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308734","12.417","0.0001","23.5702","0.0001","30.9945","0.0001","90","","96.619","0.001","90","","9010.73","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Co2 K12 O91 Si2 W18 -","- Co2 K12 O91 Si2 W18 -","- Co8 K48 O364 Si8 W72 -","4","1","","Nathalie Leclerc-Laronze; Jérôme Marrot; Gilbert Hervé","Cation-Directed Synthesis of Tungstosilicates. 2. Synthesis, Structure, and Characterization of the Open Wells-Dawson Anion α-[{K(H2O)2}(Si2W18O66)]15- and Its Transiton-Metal Derivatives [{M(H2O)}(μ-H2O)2K(Si2W18O66)]13- and [{M(H2O)}(μ-H2O)2K{M(H2O)4}(Si2W18O66)]11-","Inorganic Chemistry","2005","44","","1275","1281","10.1021/ic0486769","","","0.71073","MoKα","","0.149","0.0752","","","0.1195","0.142","","","","","","1.086","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308735","8.7663","0.0015","9.0333","0.0015","14.4","0.003","78.994","0.016","83.479","0.016","71.503","0.013","1059.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H60 N14 O18 Pt2 Rh2 S6 -","- C12 H48 N14 O18 Pt2 Rh2 S6 -","- C12 H48 N14 O18 Pt2 Rh2 S6 -","1","0.5","","Yu Chikamoto; Tatsuya Kawamoto; Asako Igashira-Kamiyama; Takumi Konno","Two Stereoisomers of an S-Bridged RhIII2PtII2 Tetranuclear Complex [{Pt(NH3)2}2{Rh(aet)3}2]4+ That Lead to a Discrete and a 1D RhIII2PtII2AgI Structures by Reacting with AgI (aet = 2-Aminoethanethiolate)","Inorganic Chemistry","2005","44","","1601","1610","10.1021/ic048680k","","","0.71069","MoKα","","0.0473","0.0296","","","0.0739","0.0806","","","","","","0.95","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308736","14.423","0.003","18.01","0.003","8.903","0.006","103.89","0.03","93.1","0.03","98.12","0.01","2213.2","1.6","298","","","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H48 Cl4 N10 O16 Pt2 Rh2 S6 -","- C12 H48 Cl4 N10 O18 Pt2 Rh2 S6 -","- C24 H96 Cl8 N20 O36 Pt4 Rh4 S12 -","2","1","","Yu Chikamoto; Tatsuya Kawamoto; Asako Igashira-Kamiyama; Takumi Konno","Two Stereoisomers of an S-Bridged RhIII2PtII2 Tetranuclear Complex [{Pt(NH3)2}2{Rh(aet)3}2]4+ That Lead to a Discrete and a 1D RhIII2PtII2AgI Structures by Reacting with AgI (aet = 2-Aminoethanethiolate)","Inorganic Chemistry","2005","44","","1601","1610","10.1021/ic048680k","","","0.71073","MoKα","","","0.073","","","0.089","","","","","4.561","4.561","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308737","11.747","0.005","12.619","0.008","16.134","0.01","90","","102.99","0.05","90","","2330","2","200","2","200","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C12 H54 Ag Cl5 N10 O23 Pt2 Rh2 S6 -","- C12 H48 Ag Cl5 N10 O23 Pt2 Rh2 S6 -","- C24 H96 Ag2 Cl10 N20 O46 Pt4 Rh4 S12 -","2","0.5","","Yu Chikamoto; Tatsuya Kawamoto; Asako Igashira-Kamiyama; Takumi Konno","Two Stereoisomers of an S-Bridged RhIII2PtII2 Tetranuclear Complex [{Pt(NH3)2}2{Rh(aet)3}2]4+ That Lead to a Discrete and a 1D RhIII2PtII2AgI Structures by Reacting with AgI (aet = 2-Aminoethanethiolate)","Inorganic Chemistry","2005","44","","1601","1610","10.1021/ic048680k","","","0.71075","MoKα","","0.1042","0.0776","","","0.1432","0.1559","","","","","","1.033","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4308738","16.424","0.011","14.923","0.009","19.189","0.012","90","","96.14","0.06","90","","4676","5","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H64 Ag N13 O26 Pt2 Rh2 S6 -","- C12 H44 Ag N12 O23 Pt2 Rh2 S6 -","- C48 H176 Ag4 N48 O92 Pt8 Rh8 S24 -","4","1","","Yu Chikamoto; Tatsuya Kawamoto; Asako Igashira-Kamiyama; Takumi Konno","Two Stereoisomers of an S-Bridged RhIII2PtII2 Tetranuclear Complex [{Pt(NH3)2}2{Rh(aet)3}2]4+ That Lead to a Discrete and a 1D RhIII2PtII2AgI Structures by Reacting with AgI (aet = 2-Aminoethanethiolate)","Inorganic Chemistry","2005","44","","1601","1610","10.1021/ic048680k","","","0.71075","MoKα","","0.06","0.0443","","","0.0646","0.0684","","","","","","1.025","","","","has coordinates,has disorder","288183","2023-12-08","14:42:54",""
"4308739","8.785","0.011","9.0793","0.0018","10.718","0.006","90","0.005","110.824","0.006","90","0.005","799","1.1","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- B2 Cd F10 Xe -","- B2 Cd F10 Xe -","- B8 Cd4 F40 Xe4 -","4","1","","Gašper Tavčar; Boris Žemva","XeF2 as a Ligand in a Coordination Compound with the BF4- Anion","Inorganic Chemistry","2005","44","","1525","1529","10.1021/ic048684p","","","0.71069","MoKα","","0.0279","0.0238","","","0.0546","0.0587","","","","","","1.141","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308740","9.1271","0.0018","8.746","0.002","13.225","0.01","90","","90","","90","","1055.7","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- B2 Cd F8 -","- B2 Cd F8 -","- B16 Cd8 F64 -","8","1","","Gašper Tavčar; Boris Žemva","XeF2 as a Ligand in a Coordination Compound with the BF4- Anion","Inorganic Chemistry","2005","44","","1525","1529","10.1021/ic048684p","","","0.71069","MoKα","","0.0363","0.0303","","","0.0673","0.072","","","","","","1.207","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308741","10.4247","0.0012","11.1526","0.001","12.8046","0.0013","78.466","0.008","72.393","0.01","68.277","0.01","1311.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(Phthalocyaninato)-ethyl-cobalt(iii)","","- C34 H21 Co N8 -","- C34 H21 Co N8 -","- C68 H42 Co2 N16 -","2","1","","Wlodzimierz Galezowski","Methyl Transfer Reactivity of Five-Coordinate CH3CoIIIPc","Inorganic Chemistry","2005","44","","1530","1546","10.1021/ic048698v","","","0.71073","MoKα","","0.0653","0.0458","","","0.0874","0.0967","","","","","","1.01","","","","has coordinates,has disorder","288183","2023-12-08","14:42:54",""
"4308742","14.043","0.002","25.291","0.004","18.492","0.003","90","","100.935","0.003","90","","6448.4","1.7","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H88 N10 Ni2 O102 Si2 W24 -","- C50 H88 N10 Ni2 O102 Si2 W24 -","- C100 H176 N20 Ni4 O204 Si4 W48 -","2","0.5","","Pei-Qing Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","pH-Dependent Assembly of Keggin-Based Supramolecular Architecture","Inorganic Chemistry","2005","44","","1190","1192","10.1021/ic048708s","","","0.71073","MoKα","","0.0756","0.07","","","0.1428","0.1457","","","","","","1.279","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308743","24.642","0.005","11.399","0.002","22.597","0.005","90","","101.346","0.004","90","","6223","2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H42 N6 Ni O48 Si W12 -","- C30 H42 N6 Ni O48 Si W12 -","- C120 H168 N24 Ni4 O192 Si4 W48 -","4","0.5","","Pei-Qing Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","pH-Dependent Assembly of Keggin-Based Supramolecular Architecture","Inorganic Chemistry","2005","44","","1190","1192","10.1021/ic048708s","","","0.71073","MoKα","","0.0984","0.0766","","","0.163","0.1786","","","","","","1.061","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308744","15.53","0.003","15.127","0.003","29.923","0.006","90","","103.773","0.003","90","","6827","2","298","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 N8 Ni2 O47 Si W11 -","- C40 H35 N8 Ni2 O47 Si W11 -","- C160 H140 N32 Ni8 O188 Si4 W44 -","4","1","","Pei-Qing Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","pH-Dependent Assembly of Keggin-Based Supramolecular Architecture","Inorganic Chemistry","2005","44","","1190","1192","10.1021/ic048708s","","","0.71073","MoKα","","0.0699","0.0527","","","0.1219","0.1292","","","","","","1.043","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308745","9.4513","0.0018","20.766","0.004","8.6353","0.0016","90","","110.685","0.003","90","","1585.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bmb","","","- C32 H22 Cl6 N6 -","- C32 H22 Cl6 N6 -","- C64 H44 Cl12 N12 -","2","0.5","","Qin-De Liu; Wen-Li Jia; Suning Wang","Blue Luminescent 2-(2'-Pyridyl)benzimidazole Derivative Ligands and Their Orange Luminescent Mononuclear and Polynuclear Organoplatinum(II) Complexes","Inorganic Chemistry","2005","44","","1332","1343","10.1021/ic0487530","","","0.71073","MoKα","","0.1281","0.0394","","","0.0756","0.0901","","","","","","0.757","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308746","12.571","0.003","18.355","0.004","13.389","0.003","90","","91.31","0.004","90","","3088.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1","","","- C68 H72 Cl4 N6 Pt2 -","- C68 H40 Cl4 N6 Pt2 -","- C136 H80 Cl8 N12 Pt4 -","2","0.5","","Qin-De Liu; Wen-Li Jia; Suning Wang","Blue Luminescent 2-(2'-Pyridyl)benzimidazole Derivative Ligands and Their Orange Luminescent Mononuclear and Polynuclear Organoplatinum(II) Complexes","Inorganic Chemistry","2005","44","","1332","1343","10.1021/ic0487530","","","0.71073","MoKα","","0.1788","0.0572","","","0.1167","0.1436","","","","","","0.81","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308747","9.6917","0.0015","11.5099","0.0018","13.659","0.002","91.3","0.002","106.758","0.002","108.803","0.002","1369.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2","","","- C62 H48 Cl4 N6 Pt2 -","- C62 H44 Cl4 N6 Pt2 -","- C62 H44 Cl4 N6 Pt2 -","1","0.5","","Qin-De Liu; Wen-Li Jia; Suning Wang","Blue Luminescent 2-(2'-Pyridyl)benzimidazole Derivative Ligands and Their Orange Luminescent Mononuclear and Polynuclear Organoplatinum(II) Complexes","Inorganic Chemistry","2005","44","","1332","1343","10.1021/ic0487530","","","0.71073","MoKα","","0.0912","0.0761","","","0.2053","0.2184","","","","","","1.053","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308748","10.348","0.003","19.768","0.006","18.316","0.005","90","","93.892","0.005","90","","3738.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C44 H38 Br N3 Pt -","- C44 H22 Br N3 Pt -","- C176 H88 Br4 N12 Pt4 -","4","1","","Qin-De Liu; Wen-Li Jia; Suning Wang","Blue Luminescent 2-(2'-Pyridyl)benzimidazole Derivative Ligands and Their Orange Luminescent Mononuclear and Polynuclear Organoplatinum(II) Complexes","Inorganic Chemistry","2005","44","","1332","1343","10.1021/ic0487530","","","0.71073","MoKα","","0.2913","0.0822","","","0.1611","0.2019","","","","","","0.748","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308749","6.158","0.003","32.742","0.018","9.152","0.005","90","","96.325","0.012","90","","1834","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bmbp","","","- C38 H26 Cl6 N6 -","- C38 H26 Cl6 N6 -","- C76 H52 Cl12 N12 -","2","0.5","","Qin-De Liu; Wen-Li Jia; Suning Wang","Blue Luminescent 2-(2'-Pyridyl)benzimidazole Derivative Ligands and Their Orange Luminescent Mononuclear and Polynuclear Organoplatinum(II) Complexes","Inorganic Chemistry","2005","44","","1332","1343","10.1021/ic0487530","","","0.71073","MoKα","","0.2415","0.0719","","","0.1544","0.2097","","","","","","0.793","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308750","22.002","0.005","13.385","0.003","27.273","0.007","90","","90.178","0.006","90","","8032","3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","tmb","","","- C43.5 H30 Cl3 N9 -","- C43.5 H29 Cl3 N9 -","- C348 H232 Cl24 N72 -","8","1","","Qin-De Liu; Wen-Li Jia; Suning Wang","Blue Luminescent 2-(2'-Pyridyl)benzimidazole Derivative Ligands and Their Orange Luminescent Mononuclear and Polynuclear Organoplatinum(II) Complexes","Inorganic Chemistry","2005","44","","1332","1343","10.1021/ic0487530","","","0.71073","MoKα","","0.1442","0.0686","","","0.1878","0.2225","","","","","","0.923","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308751","9.569","0.003","10.255","0.004","10.738","0.004","72.046","0.007","64.888","0.007","62.939","0.007","841","0.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O8 Rh2 -","- C34 H32 N2 O8 Rh2 -","- C34 H32 N2 O8 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nakata; Teruo Saito; Takamasa Akatsuka","Generation of a Plastic Crystal Including Methane Rotator within Metal-Organic Cavity by Forcible Gas Adsorption","Inorganic Chemistry","2005","44","","1362","1366","10.1021/ic048759p","","","0.71073","MoKα","","0.1583","0.0986","","","0.2229","0.2618","","","","","","0.957","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308752","9.582","0.003","10.367","0.004","10.844","0.004","71.594","0.007","65.102","0.007","62.925","0.008","859.7","0.5","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N2 O8 Rh2 -","- C34 H24 N2 O8 Rh2 -","- C34 H24 N2 O8 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nakata; Teruo Saito; Takamasa Akatsuka","Generation of a Plastic Crystal Including Methane Rotator within Metal-Organic Cavity by Forcible Gas Adsorption","Inorganic Chemistry","2005","44","","1362","1366","10.1021/ic048759p","","","0.71073","MoKα","","0.1798","0.0786","","","0.1627","0.2282","","","","","","0.906","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308753","9.759","0.0002","33.297","0.0009","10.048","0.0002","90","","116.198","0.0013","90","","2929.64","0.12","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 F2 P2 Pt -","- C36 H30 F2 P2 Pt -","- C144 H120 F8 P8 Pt4 -","4","1","","Anette Yahav; Israel Goldberg; Arkadi Vigalok","Difluoro Complexes of Platinum(II) and -(IV) with Monodentate Phosphine Ligands: An Exceptional Stability of d6 Octahedral Organometallic Fluorides","Inorganic Chemistry","2005","44","","1547","1553","10.1021/ic0488177","","","0.71073","MoKα","","0.045","0.032","","","0.0686","0.0736","","","","","","1.026","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308754","20.503","0.0003","9.85","0.0001","19.256","0.0003","90","","102.022","0.0005","90","","3803.55","0.09","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 F2 P2 Pt -","- C48 H40 F2 P2 Pt -","- C192 H160 F8 P8 Pt4 -","4","0.5","","Anette Yahav; Israel Goldberg; Arkadi Vigalok","Difluoro Complexes of Platinum(II) and -(IV) with Monodentate Phosphine Ligands: An Exceptional Stability of d6 Octahedral Organometallic Fluorides","Inorganic Chemistry","2005","44","","1547","1553","10.1021/ic0488177","","","0.71073","MoKα","","0.0249","0.023","","","0.0578","0.0588","","","","","","1.054","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308755","11.762","0.004","12.246","0.004","16.813","0.006","107.572","0.009","99.133","0.007","102.856","0.008","2183.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15.5 H13 Br7 Mo3 S19 -","- C15.5 H12 Br7 Mo3 S19 -","- C31 H24 Br14 Mo6 S38 -","2","1","","Rosa Llusar; Sonia Triguero; Santiago Uriel; Cristian Vicent; Eugenio Coronado; Carlos J. Gomez-Garcia","Synthesis, Crystal Structure, and Properties of Multicomponent Bis(ethylenedithio)tetrathiafulvalene Charge-Transfer Salts of the [Mo3S7Br6]2- Cluster","Inorganic Chemistry","2005","44","","1563","1570","10.1021/ic0488379","","","0.71073","MoKα","","0.1351","0.0622","","","0.1387","0.1654","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308756","12.643","0.003","13.37","0.004","17.936","0.004","103.884","0.008","95.013","0.007","114.396","0.006","2620.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.1 H18.2 Br8.2 Mo3 S23 -","- C21.1 H16 Br8.2 Mo3 S23 -","- C42.2 H32 Br16.4 Mo6 S46 -","2","1","","Rosa Llusar; Sonia Triguero; Santiago Uriel; Cristian Vicent; Eugenio Coronado; Carlos J. Gomez-Garcia","Synthesis, Crystal Structure, and Properties of Multicomponent Bis(ethylenedithio)tetrathiafulvalene Charge-Transfer Salts of the [Mo3S7Br6]2- Cluster","Inorganic Chemistry","2005","44","","1563","1570","10.1021/ic0488379","","","0.71073","MoKα","","0.1725","0.0771","","","0.1745","0.2234","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308757","11.907","0.006","12.742","0.006","22.905","0.012","90.053","0.015","79.063","0.014","75.802","0.015","3304","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H26 Br7 Cl Mo3 S31 -","- C31 H24 Br7 Cl Mo3 S31 -","- C62 H48 Br14 Cl2 Mo6 S62 -","2","1","","Rosa Llusar; Sonia Triguero; Santiago Uriel; Cristian Vicent; Eugenio Coronado; Carlos J. Gomez-Garcia","Synthesis, Crystal Structure, and Properties of Multicomponent Bis(ethylenedithio)tetrathiafulvalene Charge-Transfer Salts of the [Mo3S7Br6]2- Cluster","Inorganic Chemistry","2005","44","","1563","1570","10.1021/ic0488379","","","0.71073","MoKα","","0.2444","0.0883","","","0.1901","0.2672","","","","","","1.022","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308758","12.787","0.006","13.653","0.006","17.543","0.008","68.398","0.01","69.911","0.012","62.377","0.01","2467","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H44 Br6 Mo3 N S15 -","- C26 H8 Br6 Mo3 N S15 -","- C52 H16 Br12 Mo6 N2 S30 -","2","1","","Rosa Llusar; Sonia Triguero; Santiago Uriel; Cristian Vicent; Eugenio Coronado; Carlos J. Gomez-Garcia","Synthesis, Crystal Structure, and Properties of Multicomponent Bis(ethylenedithio)tetrathiafulvalene Charge-Transfer Salts of the [Mo3S7Br6]2- Cluster","Inorganic Chemistry","2005","44","","1563","1570","10.1021/ic0488379","","","0.71073","MoKα","","0.1986","0.0777","","","0.1774","0.2493","","","","","","0.954","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4308759","12.467","0.005","13.553","0.006","18.193","0.008","85.378","0.011","78.576","0.011","65.858","0.009","2750","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H29.5 Br6 Mo3 N0.5 P S15 -","- C35 H28 Br6 Mo3 N0.5 P S15 -","- C70 H56 Br12 Mo6 N P2 S30 -","2","1","","Rosa Llusar; Sonia Triguero; Santiago Uriel; Cristian Vicent; Eugenio Coronado; Carlos J. Gomez-Garcia","Synthesis, Crystal Structure, and Properties of Multicomponent Bis(ethylenedithio)tetrathiafulvalene Charge-Transfer Salts of the [Mo3S7Br6]2- Cluster","Inorganic Chemistry","2005","44","","1563","1570","10.1021/ic0488379","","","0.71073","MoKα","","0.1912","0.0996","","","0.2238","0.2805","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308760","9.943","0.002","14.62","0.002","15.259","0.003","90","","90","","90","","2218.1","0.7","301.2","","301.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 Ag2 N2 P -","- C20 H33 Ag2 N2 P -","- C80 H132 Ag8 N8 P4 -","4","1","","Yong-Yue Lin; Siu-Wai Lai; Chi-Ming Che; Wen-Fu Fu; Zhong-Yuan Zhou; Nianyong Zhu","Structural Variations and Spectroscopic Properties of Luminescent Mono- and Multinuclear Silver(I) and Copper(I) Complexes Bearing Phosphine and Cyanide Ligands","Inorganic Chemistry","2005","44","","1511","1524","10.1021/ic048876k","","","0.7107","MoKalpha","","","0.0282","","","0.0384","","","","","1.811","1.811","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308761","10.291","0.003","29.554","0.008","13.731","0.004","90","","107.169","0.007","90","","3990","2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H66 Ag2 N2 P2 -","- C38 H66 Ag2 N2 P2 -","- C152 H264 Ag8 N8 P8 -","4","1","","Yong-Yue Lin; Siu-Wai Lai; Chi-Ming Che; Wen-Fu Fu; Zhong-Yuan Zhou; Nianyong Zhu","Structural Variations and Spectroscopic Properties of Luminescent Mono- and Multinuclear Silver(I) and Copper(I) Complexes Bearing Phosphine and Cyanide Ligands","Inorganic Chemistry","2005","44","","1511","1524","10.1021/ic048876k","","","0.71073","MoKα","","0.1772","0.0469","","","0.0644","0.0768","","","","","","0.968","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308762","12.027","0.003","16.765","0.004","15.996","0.004","90","","90.929","0.004","90","","3224.9","1.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H100 Ag4 N4 O2 P4 -","- C56 H100 Ag4 N4 O2 P4 -","- C112 H200 Ag8 N8 O4 P8 -","2","0.5","","Yong-Yue Lin; Siu-Wai Lai; Chi-Ming Che; Wen-Fu Fu; Zhong-Yuan Zhou; Nianyong Zhu","Structural Variations and Spectroscopic Properties of Luminescent Mono- and Multinuclear Silver(I) and Copper(I) Complexes Bearing Phosphine and Cyanide Ligands","Inorganic Chemistry","2005","44","","1511","1524","10.1021/ic048876k","","","0.71073","MoKα","","0.0982","0.0504","","","0.1076","0.1187","","","","","","1.051","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308763","10.939","0.003","12.686","0.003","12.851","0.004","96.118","0.006","113.275","0.005","109.545","0.005","1483.9","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H92 Ag4 N4 P4 -","- C54 H92 Ag4 N4 P4 -","- C54 H92 Ag4 N4 P4 -","1","0.5","","Yong-Yue Lin; Siu-Wai Lai; Chi-Ming Che; Wen-Fu Fu; Zhong-Yuan Zhou; Nianyong Zhu","Structural Variations and Spectroscopic Properties of Luminescent Mono- and Multinuclear Silver(I) and Copper(I) Complexes Bearing Phosphine and Cyanide Ligands","Inorganic Chemistry","2005","44","","1511","1524","10.1021/ic048876k","","","0.71073","MoKα","","0.0703","0.0438","","","0.0837","0.0907","","","","","","1.027","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308764","11.456","0.003","15.09","0.004","18.44","0.004","94.674","0.006","104.391","0.006","101.276","0.005","2999.6","1.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H99 Cu3 N3 P3 -","- C57 H99 Cu3 N3 P3 -","- C114 H198 Cu6 N6 P6 -","2","1","","Yong-Yue Lin; Siu-Wai Lai; Chi-Ming Che; Wen-Fu Fu; Zhong-Yuan Zhou; Nianyong Zhu","Structural Variations and Spectroscopic Properties of Luminescent Mono- and Multinuclear Silver(I) and Copper(I) Complexes Bearing Phosphine and Cyanide Ligands","Inorganic Chemistry","2005","44","","1511","1524","10.1021/ic048876k","","","0.71073","MoKα","","0.173","0.0636","","","0.1066","0.1193","","","","","","1.029","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308765","12.134","0.002","10.847","0.002","22.957","0.005","90","","91.31","0.03","90","","3020.8","1","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H96 Cl4 Cu2 N2 P4 -","- C54 H96 Cl4 Cu2 N2 P4 -","- C108 H192 Cl8 Cu4 N4 P8 -","2","0.5","","Yong-Yue Lin; Siu-Wai Lai; Chi-Ming Che; Wen-Fu Fu; Zhong-Yuan Zhou; Nianyong Zhu","Structural Variations and Spectroscopic Properties of Luminescent Mono- and Multinuclear Silver(I) and Copper(I) Complexes Bearing Phosphine and Cyanide Ligands","Inorganic Chemistry","2005","44","","1511","1524","10.1021/ic048876k","","","0.71069","MoKα","","0.0702","0.0462","","","0.1248","0.139","","","","","","0.964","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4308766","14.774","0.003","25.198","0.005","24.104","0.005","90","","91.6","0.03","90","","8970","3","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H154 Cu2 F6 N O P7 -","- C83 H154 Cu2 F6 N O P7 -","- C332 H616 Cu8 F24 N4 O4 P28 -","4","1","","Yong-Yue Lin; Siu-Wai Lai; Chi-Ming Che; Wen-Fu Fu; Zhong-Yuan Zhou; Nianyong Zhu","Structural Variations and Spectroscopic Properties of Luminescent Mono- and Multinuclear Silver(I) and Copper(I) Complexes Bearing Phosphine and Cyanide Ligands","Inorganic Chemistry","2005","44","","1511","1524","10.1021/ic048876k","","","0.71069","MoKα","","0.1619","0.1054","","","0.3122","0.3462","","","","","","1.158","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308767","13.621","0.003","16.602","0.003","25.019","0.005","73.27","0.03","81.13","0.03","87.28","0.03","5353","2","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C111 H105.5 Cu3 F6 N2.5 P9 -","- C111 H104 Cu3 F6 N2.5 P9 -","- C222 H208 Cu6 F12 N5 P18 -","2","1","","Yong-Yue Lin; Siu-Wai Lai; Chi-Ming Che; Wen-Fu Fu; Zhong-Yuan Zhou; Nianyong Zhu","Structural Variations and Spectroscopic Properties of Luminescent Mono- and Multinuclear Silver(I) and Copper(I) Complexes Bearing Phosphine and Cyanide Ligands","Inorganic Chemistry","2005","44","","1511","1524","10.1021/ic048876k","","","0.71069","MoKα","","0.1052","0.0626","","","0.1847","0.2077","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308768","14.042","0.003","14.55","0.003","16.421","0.003","100.43","0.03","102.39","0.03","93.84","0.03","3203.1","1.3","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H218 Cu6 N6 O2 P6 -","- C122 H218 Cu6 N6 O2 P6 -","- C122 H218 Cu6 N6 O2 P6 -","1","0.5","","Yong-Yue Lin; Siu-Wai Lai; Chi-Ming Che; Wen-Fu Fu; Zhong-Yuan Zhou; Nianyong Zhu","Structural Variations and Spectroscopic Properties of Luminescent Mono- and Multinuclear Silver(I) and Copper(I) Complexes Bearing Phosphine and Cyanide Ligands","Inorganic Chemistry","2005","44","","1511","1524","10.1021/ic048876k","","","0.71069","MoKα","","0.0683","0.0435","","","0.1256","0.1441","","","","","","0.975","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308769","12.989","0.0003","14.195","0.0005","14.7319","0.001","67.437","0.002","77.667","0.002","70.973","0.003","2359.1","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H43 F6 N3 O P3 Rh -","- C45 H43 F6 N3 O P3 Rh -","- C90 H86 F12 N6 O2 P6 Rh2 -","2","1","","Maria B. Ezhova; Brian O. Patrick; Kapila N. Sereviratne; Brian R. James; Francis J. Waller; Michael E. Ford","Interactions of Rh(III)-Dihydrido-Bis(phosphine) Complexes with Semicarbazones","Inorganic Chemistry","2005","44","","1482","1491","10.1021/ic0489185","","","0.71069","MoKα","","0.0657","0.0463","","","0.1166","0.1242","","","","","","1.059","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308770","12.7688","0.0006","14.4322","0.0008","14.842","0.001","97.986","0.002","104.637","0.001","98.751","0.002","2570.2","0.3","198.2","","198.2","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H49 Cl4 F6 N3 O P3 Rh -","- C48 H49 Cl4 F6 N3 O P3 Rh -","- C96 H98 Cl8 F12 N6 O2 P6 Rh2 -","2","1","","Maria B. Ezhova; Brian O. Patrick; Kapila N. Sereviratne; Brian R. James; Francis J. Waller; Michael E. Ford","Interactions of Rh(III)-Dihydrido-Bis(phosphine) Complexes with Semicarbazones","Inorganic Chemistry","2005","44","","1482","1491","10.1021/ic0489185","","","0.7107","MoKα","","0.0666","0.039","","0.109","","0.109","","","1.262","","","1.262","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308771","17.885","0.002","15.005","0.003","7.4444","0.0008","90","0.002","90","0.002","90","0.002","1997.8","0.5","198.2","","198.2","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H13 N3 O -","- C10 H13 N3 O -","- C80 H104 N24 O8 -","8","1","","Maria B. Ezhova; Brian O. Patrick; Kapila N. Sereviratne; Brian R. James; Francis J. Waller; Michael E. Ford","Interactions of Rh(III)-Dihydrido-Bis(phosphine) Complexes with Semicarbazones","Inorganic Chemistry","2005","44","","1482","1491","10.1021/ic0489185","","","0.7107","MoKα","","0.0651","0.034","","0.0912","","0.0912","","","1.045","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308772","12.6183","0.0009","12.7951","0.0005","14.244","0.001","79.465","0.002","73.471","0.002","83.606","0.003","2163.2","0.2","173.2","","173.2","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H47 F6 N3 O2 P3 Rh -","- C43 H47 F6 N3 O2 P3 Rh -","- C86 H94 F12 N6 O4 P6 Rh2 -","2","1","","Maria B. Ezhova; Brian O. Patrick; Kapila N. Sereviratne; Brian R. James; Francis J. Waller; Michael E. Ford","Interactions of Rh(III)-Dihydrido-Bis(phosphine) Complexes with Semicarbazones","Inorganic Chemistry","2005","44","","1482","1491","10.1021/ic0489185","","","0.7107","MoKα","","0.056","0.032","","0.089","","0.089","","","1.131","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308773","11.15","0.0005","12.5173","0.0005","17.0626","0.0007","100.415","0.0008","92.6985","0.0009","114.95","0.0008","2103.16","0.15","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H33 Cl2 F3 Ir N7 -","- C50 H33 Cl2 F3 Ir N7 -","- C100 H66 Cl4 F6 Ir2 N14 -","2","1","","Fu-Ming Hwang; Hsing-Yi Chen; Po-Shen Chen; Chao-Shiuan Liu; Yun Chi; Ching-Fong Shu; Fang-Iy Wu; Pi-Tai Chou; Shie-Ming Peng; Gene-Hsiang Lee","Iridium(III) Complexes with Orthometalated Quinoxaline Ligands: Subtle Tuning of Emission to the Saturated Red Color","Inorganic Chemistry","2005","44","","1344","1353","10.1021/ic0489443","","","0.71073","MoKα","","0.0352","0.0304","","","0.0724","0.0767","","","","","","1.049","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308774","15.656","0.002","15.291","0.002","50.912","0.007","90","","90","","90","","12188","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H90 Fe2 N24 Ni3 O12 -","- C36 H66 Fe2 N24 Ni3 O12 -","- C288 H528 Fe16 N192 Ni24 O96 -","8","1","","Manas K. Saha; María C. Morón; Fernando Palacio; Ivan Bernal","A New Bimetallic Intercalated 3-D Assembly Magnet [{(323)Ni}3{FeIII(CN)6}2]n.12nH2O (323 =N,N'-Bis(3-aminopropyl) Ethylenediamine): An Unprecedented Concomitant Presence of Meridional and Facial Arrangment of Ferricyanide Anion","Inorganic Chemistry","2005","44","","1354","1361","10.1021/ic048947f","","","0.71073","MoKα","","0.1422","0.0651","","","0.1153","0.1385","","","","","","1.024","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308775","11.247","0.002","9.8119","0.0015","18.103","0.003","90","","127.245","0.003","90","","1590.3","0.5","87","2","87","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 Co3 O14 -","- C7 H6 Co3 O14 -","- C28 H24 Co12 O56 -","4","1","","Zheming Wang; Bin Zhang; Mohamedally Kurmoo; Mark A. Green; Hideki Fujiwara; Takeo Otsuka; Hayao Kobayashi","Synthesis and Characterization of a Porous Magnetic Diamond Framework, Co3(HCOO)6, and Its N2 Sorption Characteristic","Inorganic Chemistry","2005","44","","1230","1237","10.1021/ic048986r","","","0.71073","MoKα","","0.0538","0.0356","","","0.0809","0.0848","","","","","","1.115","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308776","11.2539","0.0016","9.8321","0.001","18.108","0.003","90","","127.222","0.002","90","","1595.5","0.4","180","1","180","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 Co3 O14 -","- C7 H6 Co3 O14 -","- C28 H24 Co12 O56 -","4","1","","Zheming Wang; Bin Zhang; Mohamedally Kurmoo; Mark A. Green; Hideki Fujiwara; Takeo Otsuka; Hayao Kobayashi","Synthesis and Characterization of a Porous Magnetic Diamond Framework, Co3(HCOO)6, and Its N2 Sorption Characteristic","Inorganic Chemistry","2005","44","","1230","1237","10.1021/ic048986r","","","0.71073","MoKα","","0.0492","0.0329","","","0.0763","0.0799","","","","","","1.086","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308777","11.2783","0.0004","9.8567","0.0004","18.163","0.0006","90","","127.204","0.002","90","","1608.21","0.11","105","0.1","105","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Co3 O12 -","- C6 H6 Co3 O12 -","- C24 H24 Co12 O48 -","4","1","","Zheming Wang; Bin Zhang; Mohamedally Kurmoo; Mark A. Green; Hideki Fujiwara; Takeo Otsuka; Hayao Kobayashi","Synthesis and Characterization of a Porous Magnetic Diamond Framework, Co3(HCOO)6, and Its N2 Sorption Characteristic","Inorganic Chemistry","2005","44","","1230","1237","10.1021/ic048986r","","","0.71073","MoKα","","0.0666","0.0379","","","0.08","0.0862","","","","","","1.006","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308778","11.2858","0.0004","9.869","0.0004","18.1797","0.0006","90","","127.193","0.002","90","","1613","0.11","180","0.1","180","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Co3 O12 -","- C6 H6 Co3 O12 -","- C24 H24 Co12 O48 -","4","1","","Zheming Wang; Bin Zhang; Mohamedally Kurmoo; Mark A. Green; Hideki Fujiwara; Takeo Otsuka; Hayao Kobayashi","Synthesis and Characterization of a Porous Magnetic Diamond Framework, Co3(HCOO)6, and Its N2 Sorption Characteristic","Inorganic Chemistry","2005","44","","1230","1237","10.1021/ic048986r","","","0.71073","MoKα","","0.0645","0.0356","","","0.075","0.0807","","","","","","0.981","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308779","28.546","0.006","7.09","0.001","31.623","0.006","90","","95.21","0.03","90","","6374","2","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 F3 N4 O5 Pt S -","- C30 H29 F3 N4 O5 Pt S -","- C240 H232 F24 N32 O40 Pt8 S8 -","8","1","","Keith Man-Chung Wong; Wing-Suen Tang; Xiao-Xia Lu; Nianyong Zhu; Vivian Wing-Wah Yam","Functionalized Platinum(II) Terpyridyl Alkynyl Complexes as Colorimetric and Luminescence pH Sensors","Inorganic Chemistry","2005","44","","1492","1498","10.1021/ic049079p","","","0.71069","MoKα","","0.1212","0.0575","","","0.1453","0.1896","","","","","","0.87","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308780","13.164","0.003","13.164","0.003","36.305","0.011","90","","90","","120","","5448","2","293","2","273","2","","","","","","","see text","5","P 61","P 61","169","","","","- C28 H29 Fe2 N6 O13 -","- C28 H29 Fe2 N6 O13 -","- C168 H174 Fe12 N36 O78 -","6","1","","Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray","Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels","Inorganic Chemistry","2005","44","","1302","1308","10.1021/ic049145n","","","0.71073","MoKα","","0.0488","0.0387","","","0.0842","0.0879","","","","","","0.995","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308781","13.151","0.004","13.151","0.004","36.56","0.02","90","","90","","120","","5476","4","293","2","293","2","","","","","","","see text","5","P 65","P 65","170","","","","- C28 H32 Fe2 N6 O11 -","- C28 H30 Fe2 N6 O10 -","- C168 H180 Fe12 N36 O60 -","6","1","","Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray","Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels","Inorganic Chemistry","2005","44","","1302","1308","10.1021/ic049145n","","","0.71073","MoKa","","0.0461","0.0416","","","0.1191","0.1235","","","","","","1.199","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308782","13.16","0.007","13.16","0.007","36.56","0.04","90","","90","","120","","5483","7","293","2","293","2","","","","","","","see text","5","P 61","P 61","169","","","","- C28 H32 Fe2 N6 O10 -","- C28 H32 Fe2 N6 O10 -","- C168 H192 Fe12 N36 O60 -","6","1","","Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray","Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels","Inorganic Chemistry","2005","44","","1302","1308","10.1021/ic049145n","","","0.71073","MoKa","","0.0748","0.0575","","","0.1426","0.1528","","","","","","1.136","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308783","13.2725","0.001","13.2725","0.001","36.032","0.006","90","","90","","120","","5497","1.1","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C28 H32 Fe2 I2 N6 O10 -","- C28 H29 Fe2 I2 N6 O10 -","- C168 H174 Fe12 I12 N36 O60 -","6","1","","Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray","Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels","Inorganic Chemistry","2005","44","","1302","1308","10.1021/ic049145n","","","0.71073","MoKα","","0.1431","0.1069","","","0.2854","0.3172","","","","","","1.188","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308784","10.1288","0.0006","16.3346","0.0009","17.4764","0.001","90","","90.882","0.002","90","","2891.1","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 Cl4 F6 N6 O6 Pt2 S2 -","- C52 H68 Cl4 F6 N6 O6 Pt2 S2 -","- C104 H136 Cl8 F12 N12 O12 Pt4 S4 -","2","0.5","","Hershel Jude; Jeanette A. Krause Bauer; William B. Connick","Luminescent Platinum(II) Dimers with a Cyclometallating Aryldiamine Ligand","Inorganic Chemistry","2005","44","","1211","1220","10.1021/ic049166h","","","0.71073","MoKα","","0.1474","0.0697","","","0.1139","0.1369","","","","","","1.028","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4308785","12.524","0.0005","14.157","0.0006","14.2928","0.0006","106.458","0.001","92.527","0.001","106.88","0.001","2303.46","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H58 F6 N6 O6 Pt2 S2 -","- C42 H58 F6 N6 O6 Pt2 S2 -","- C84 H116 F12 N12 O12 Pt4 S4 -","2","1","","Hershel Jude; Jeanette A. Krause Bauer; William B. Connick","Luminescent Platinum(II) Dimers with a Cyclometallating Aryldiamine Ligand","Inorganic Chemistry","2005","44","","1211","1220","10.1021/ic049166h","","","0.71073","MoKα","","0.0428","0.0341","","","0.09","0.0959","","","","","","1.059","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308786","11.73","0.002","11.667","0.002","17.483","0.004","90","","92.37","0.03","90","","2390.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N3 O8 Ru -","- C20 H23 Cl N3 O8 Ru -","- C80 H92 Cl4 N12 O32 Ru4 -","4","1","","Sanjib Kar; Nripen Chanda; Shaikh M. Mobin; Francisco A. Urbanos; Mark Niemeyer; Vedavati G. Puranik; Reyes Jimenez-Aparicio; Goutam Kumar Lahiri","Unusual Monodentate Binding Mode of 2,2'-Dipyridylamine (L) in Isomeric trans-(acac)2RuII(L)2, trans-[(acac)2RuIII(L)2]ClO4, and cis-(acac)2RuII(L)2 (acac = Acetylacetonate). Synthesis, Structures, and Spectroscopic, Electrochemical, and Magnetic Aspects","Inorganic Chemistry","2005","44","","1571","1579","10.1021/ic049219v","","","0.71073","MoKα","","0.1157","0.0632","","","0.1183","0.1368","","","","","","1.136","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308787","26.668","0.0017","7.773","0.003","19.494","0.004","90","0.017","127.129","0.019","90","0.019","3221.7","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cl N6 O8 Ru -","- C30 H32 Cl N6 O8 Ru -","- C120 H128 Cl4 N24 O32 Ru4 -","4","0.5","","Sanjib Kar; Nripen Chanda; Shaikh M. Mobin; Francisco A. Urbanos; Mark Niemeyer; Vedavati G. Puranik; Reyes Jimenez-Aparicio; Goutam Kumar Lahiri","Unusual Monodentate Binding Mode of 2,2'-Dipyridylamine (L) in Isomeric trans-(acac)2RuII(L)2, trans-[(acac)2RuIII(L)2]ClO4, and cis-(acac)2RuII(L)2 (acac = Acetylacetonate). Synthesis, Structures, and Spectroscopic, Electrochemical, and Magnetic Aspects","Inorganic Chemistry","2005","44","","1571","1579","10.1021/ic049219v","","","0.7093","MoKα","","0.0584","0.0361","","","0.0848","0.0942","","","","","","1.036","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308788","8.696","0.0008","9.383","0.0007","18.6479","0.0009","90","","107.954","0.005","90","","1447.47","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N6 O4 Ru -","- C30 H32 N6 O4 Ru -","- C60 H64 N12 O8 Ru2 -","2","0.5","","Sanjib Kar; Nripen Chanda; Shaikh M. Mobin; Francisco A. Urbanos; Mark Niemeyer; Vedavati G. Puranik; Reyes Jimenez-Aparicio; Goutam Kumar Lahiri","Unusual Monodentate Binding Mode of 2,2'-Dipyridylamine (L) in Isomeric trans-(acac)2RuII(L)2, trans-[(acac)2RuIII(L)2]ClO4, and cis-(acac)2RuII(L)2 (acac = Acetylacetonate). Synthesis, Structures, and Spectroscopic, Electrochemical, and Magnetic Aspects","Inorganic Chemistry","2005","44","","1571","1579","10.1021/ic049219v","","","0.7093","MoKα","","0.0296","0.0246","","","0.061","0.064","","","","","","1.089","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308789","11.243","0.0015","12.025","0.0018","21.839","0.002","90","","90","","90","","2952.6","0.7","293","2","293","2","","","","","","","","5","P c n n","-P 2ab 2c","52","","","","- C30 H32 N6 O4 Ru -","- C30 H32 N6 O4 Ru -","- C120 H128 N24 O16 Ru4 -","4","0.5","","Sanjib Kar; Nripen Chanda; Shaikh M. Mobin; Francisco A. Urbanos; Mark Niemeyer; Vedavati G. Puranik; Reyes Jimenez-Aparicio; Goutam Kumar Lahiri","Unusual Monodentate Binding Mode of 2,2'-Dipyridylamine (L) in Isomeric trans-(acac)2RuII(L)2, trans-[(acac)2RuIII(L)2]ClO4, and cis-(acac)2RuII(L)2 (acac = Acetylacetonate). Synthesis, Structures, and Spectroscopic, Electrochemical, and Magnetic Aspects","Inorganic Chemistry","2005","44","","1571","1579","10.1021/ic049219v","","","0.71073","MoKα","","0.1929","0.0539","","","0.086","0.1162","","","","","","0.992","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308790","11.6444","0.0015","14.3461","0.0017","24.658","0.003","74.053","0.003","77.117","0.002","83.995","0.003","3856.8","0.8","218","2","218","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H135 Fe N12 O4 S -","- C68 H135 Fe N12 O4 S -","- C136 H270 Fe2 N24 O8 S2 -","2","1","","Marc A. Walters; Pamela M. Tadross; Arnold L. Rheingold; Lev N. Zakharov; Danai Mudzudzu; John Texter","Amide-Ligand Hydrogen Bonding in Reverse Micelles","Inorganic Chemistry","2005","44","","1172","1174","10.1021/ic050033l","","","0.71073","MoKα","","0.1625","0.1089","","","0.2552","0.2894","","","","","","1.081","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308791","13.39919","0.0004","13.39919","0.0004","9.71159","0.00033","90","","90","","90","","1743.6","0.09","","","","","","","","","","","","5","I 4/m","-I 4","87","Ru(TPP)O2","","","- C44 H28 N4 O2 Ru -","- C44 H28 N4 O2 Ru -","- C88 H56 N8 O4 Ru2 -","2","0.125","","Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini","Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins","Inorganic Chemistry","2005","44","","2039","2049","10.1021/ic048587w","","","","","","","","","","","","","","","","","","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308792","13.23343","0.0004","13.23343","0.0004","19.42737","0.0007","90","","90","","90","","3402.19","0.19","","","","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","[Ru(TPP)O]2O","","","- C88 H56 N8 O3 Ru2 -","- C88 H56 N8 O3 Ru2 -","- C176 H112 N16 O6 Ru4 -","2","0.125","","Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini","Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins","Inorganic Chemistry","2005","44","","2039","2049","10.1021/ic048587w","","","","","","","","","","","","","","","","","","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308793","10.279","","16.529","","9.641","","100.23","","108.26","","77.05","","1505.73","","295","2","300","","","","","","","","","3","P -1","-P 1","2","","1,1-diphenyl-2,3,4,5-tetraphenylgermole","","- C40 H30 Ge -","- C40 H30 Ge -","- C80 H60 Ge2 -","2","1","","Tracy, Henry J.; Mullin, Jerome L.; Klooster, Wim T.; Martin, James A.; Haug, Judith; Wallace, Scott; Rudloe, Isaac; Watts, Kimberly","Enhanced Photoluminescence from Group 14 Metalloles in Aggregated and Solid Solutions","Inorganic Chemistry","2005","44","6","2003","2011","10.1021/ic049034o","","","1.5418","Cukα","","","0.0591","","","0.0901","","","","","1.17","1.17","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"4308794","10.279","","16.529","","9.641","","100.23","","108.26","","77.05","","1505.73","","295","2","300","","","","","","","","","3","P -1","-P 1","2","","1,1-diphenyl-2,3,4,5-tetraphenylsilole","","- C40 H30 Si -","- C40 H30 Si -","- C80 H60 Si2 -","2","1","","Tracy, Henry J.; Mullin, Jerome L.; Klooster, Wim T.; Martin, James A.; Haug, Judith; Wallace, Scott; Rudloe, Isaac; Watts, Kimberly","Enhanced Photoluminescence from Group 14 Metalloles in Aggregated and Solid Solutions","Inorganic Chemistry","2005","44","6","2003","2011","10.1021/ic049034o","","","1.5418","Cukα","","","0.0534","","","0.0908","","","","","1.21","1.21","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"4308795","6.717","0.004","11.701","0.002","8.269","0.003","90","","106.69","0.03","90","","622.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 N4 S4 -","- C2 N4 S4 -","- C8 N16 S16 -","4","1","","T. Stanley Cameron; Martin T. Lemaire; Jack Passmore; Jeremy M. Rawson; Konstantin V. Shuvaev; Laurence K. Thompson","Preparation and Solid-State Characterization of the Novel Mixed Biradical.NSNSC-CNSSN.","Inorganic Chemistry","2005","44","","2576","2578","10.1021/ic048306k","","","0.71069","MoKα","","0.2563","0.0526","","","0.1269","0.1832","","","","","","1.014","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308796","13.1038","0.0017","13.2726","0.0018","17.265","0.002","107.29","0.002","109.195","0.002","99.309","0.002","2593.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H136 Mn12 N10 O44 -","- C72 H136 Mn12 N10 O44 -","- C72 H136 Mn12 N10 O44 -","1","0.5","","Evan M. Rumberger; Sonali J. Shah; Christopher C. Beedle; Lev N. Zakharov; Arnold L. Rheingold; David N. Hendrickson","Wheel-Shaped [Mn12] Single-Molecule Magnets","Inorganic Chemistry","2005","44","","2742","2752","10.1021/ic048316l","","","0.71073","MoKα","","0.0483","0.0365","","","0.0908","0.098","","","","","","1.009","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308797","10.1919","0.0005","15.8827","0.0008","31.3229","0.0016","90","","98.096","0.001","90","","5019.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H130 Mn12 N8 O44 -","- C68 H122 Mn12 N8 O44 -","- C136 H244 Mn24 N16 O88 -","2","0.5","","Evan M. Rumberger; Sonali J. Shah; Christopher C. Beedle; Lev N. Zakharov; Arnold L. Rheingold; David N. Hendrickson","Wheel-Shaped [Mn12] Single-Molecule Magnets","Inorganic Chemistry","2005","44","","2742","2752","10.1021/ic048316l","","","0.71073","MoKα","","0.0571","0.0547","","","0.1213","0.1226","","","","","","1.268","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4308798","26.0196","0.0017","20.6862","0.0014","24.1927","0.0016","90","","91.064","0.001","90","","13019.4","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H187 Mn12 N11 O44 -","- C96 H184 Mn12 N10 O44 -","- C384 H736 Mn48 N40 O176 -","4","0.5","","Evan M. Rumberger; Sonali J. Shah; Christopher C. Beedle; Lev N. Zakharov; Arnold L. Rheingold; David N. Hendrickson","Wheel-Shaped [Mn12] Single-Molecule Magnets","Inorganic Chemistry","2005","44","","2742","2752","10.1021/ic048316l","","","0.71073","MoKα","","0.062","0.0428","","","0.0989","0.1051","","","","","","1.045","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308799","14.5942","0.0013","15.7162","0.0014","16.5559","0.0015","117.582","0.001","96.44","0.001","108.629","0.001","3032.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H178 Mn12 N8 O44 -","- C92 H178 Mn12 N8 O44 -","- C92 H178 Mn12 N8 O44 -","1","0.5","","Evan M. Rumberger; Sonali J. Shah; Christopher C. Beedle; Lev N. Zakharov; Arnold L. Rheingold; David N. Hendrickson","Wheel-Shaped [Mn12] Single-Molecule Magnets","Inorganic Chemistry","2005","44","","2742","2752","10.1021/ic048316l","","","0.71073","MoKα","","0.0823","0.0475","","","0.1","0.1116","","","","","","0.989","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308801","19.9818","0.0006","19.9818","0.0006","19.9818","0.0006","90","","90","","90","","7978.2","0.4","100","","100","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C7 H11 Cl La N O8 -","- C7 H3 Cl La N O8 -","- C168 H72 Cl24 La24 N24 O192 -","24","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Coordination Polymers of La(III) as Bunched Infinite Nanotubes and Their Conversion into an Open-Framework Structure","Inorganic Chemistry","2005","44","","3156","3161","10.1021/ic048159q","","","0.71073","MoKα","","0.0976","0.0933","","","0.2352","0.2373","","","","","","1.304","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308802","20.3661","0.0005","20.3661","0.0005","20.3661","0.0005","90","","90","","90","","8447.4","0.4","100","","100","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C7 H11 La N2 O11 -","- C7 H3 La N2 O11 -","- C168 H72 La24 N48 O264 -","24","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Coordination Polymers of La(III) as Bunched Infinite Nanotubes and Their Conversion into an Open-Framework Structure","Inorganic Chemistry","2005","44","","3156","3161","10.1021/ic048159q","","","0.71073","MoKα","","0.048","0.0464","","","0.1295","0.1304","","","","","","1.125","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308803","14.036","0.002","11.229","0.003","12.999","0.002","90","","101.983","0.005","90","","2004.1","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 La N2 O14 -","- C14 H18 La N2 O14 -","- C56 H72 La4 N8 O56 -","4","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Coordination Polymers of La(III) as Bunched Infinite Nanotubes and Their Conversion into an Open-Framework Structure","Inorganic Chemistry","2005","44","","3156","3161","10.1021/ic048159q","","","0.71069","MoKα","","0.0303","0.0284","","","0.0684","0.0694","","","","","","1.074","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308804","10.456","0.003","11.859","0.002","13.731","0.003","93.939","0.004","110.801","0.005","111.043","0.003","1447.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 La2 N3 O20 -","- C21 H25 La2 N3 O20 -","- C42 H50 La4 N6 O40 -","2","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Coordination Polymers of La(III) as Bunched Infinite Nanotubes and Their Conversion into an Open-Framework Structure","Inorganic Chemistry","2005","44","","3156","3161","10.1021/ic048159q","","","0.71069","MoKα","","0.0491","0.0353","","","0.0911","0.0967","","","","","","1.06","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308805","12.319","0.004","13.989","0.004","16.774","0.005","64.699","0.014","66.672","0.013","76.891","0.017","2394","1.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","[(3-MeOsalamo)CuGd(NO3)3]","","","- C18 H18 Cu Gd N5 O15 -","- C18 H18 Cu Gd N5 O15 -","- C72 H72 Cu4 Gd4 N20 O60 -","4","2","","Shigehisa Akine; Takashi Matsumoto; Takanori Taniguchi; Tatsuya Nabeshima","Synthesis, Structures, and Magnetic Properties of Tri- and Dinuclear Copper(II)-Gadolinium(III) Complexes of Linear Oligooxime Ligands","Inorganic Chemistry","2005","44","","3270","3274","10.1021/ic0481677","","","0.71069","MoKα","","0.0489","0.0411","","","0.094","0.0976","","","","","","1.088","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308806","12.442","0.004","13.397","0.003","13.966","0.004","77.052","0.008","88.656","0.01","77.761","0.008","2216.5","1.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","[LCu2Gd(OAc)3](EtOH)(Et2O)","","","- C40 H51 Cu2 Gd N4 O18 -","- C40 H51 Cu2 Gd N4 O18 -","- C80 H102 Cu4 Gd2 N8 O36 -","2","1","","Shigehisa Akine; Takashi Matsumoto; Takanori Taniguchi; Tatsuya Nabeshima","Synthesis, Structures, and Magnetic Properties of Tri- and Dinuclear Copper(II)-Gadolinium(III) Complexes of Linear Oligooxime Ligands","Inorganic Chemistry","2005","44","","3270","3274","10.1021/ic0481677","","","0.71069","MoKα","","0.0362","0.0345","","","0.0901","0.0914","","","","","","1.045","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308807","13.869","0.008","13.688","0.007","18.728","0.01","90","","92.861","0.008","90","","3551","3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(3-MeOsalamo)CuGd(OAc)3] 2CHCl3","","","- C26 H29 Cl6 Cu Gd N2 O12 -","- C26 H29 Cl6 Cu Gd N2 O12 -","- C104 H116 Cl24 Cu4 Gd4 N8 O48 -","4","1","","Shigehisa Akine; Takashi Matsumoto; Takanori Taniguchi; Tatsuya Nabeshima","Synthesis, Structures, and Magnetic Properties of Tri- and Dinuclear Copper(II)-Gadolinium(III) Complexes of Linear Oligooxime Ligands","Inorganic Chemistry","2005","44","","3270","3274","10.1021/ic0481677","","","0.71069","MoKα","","0.1119","0.0817","","","0.1889","0.2061","","","","","","1.047","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308808","15.132","0.0004","17.842","0.0004","21.199","0.0008","90","0.002","90","0.001","90","0.001","5723.4","0.3","150","2","150","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C48 H106 B11 P2 Rh -","- C46 H96 B12 P2 Rh -","- C184 H384 B48 P8 Rh4 -","4","0.25","","Michael J. Ingleson; Simon K. Brayshaw; Mary F. Mahon; Giuseppe D. Ruggiero; Andrew S. Weller","Dihydrogen Complexes of Rhodium: [RhH2(H2)x(PR3)2]+ (R = Cy,iPr; x= 1, 2)","Inorganic Chemistry","2005","44","","3162","3171","10.1021/ic0482739","","","0.71073","MoKα","","0.2208","0.1511","","","0.4626","0.492","","","","","","1.807","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308809","20.9511","0.0008","26.1814","0.0014","8.2369","0.0004","90","","100.282","0.002","90","","4445.6","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Ag2 N4 O5 -","- C24 H20 Ag2 N4 O5 -","- C192 H160 Ag16 N32 O40 -","8","1","","Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen","Well-Resolved, New Water Morphologies Obtained by Modification of the Hydrophilic/Hydrophobic Character and Shapes of the Supporting Layers","Inorganic Chemistry","2005","44","","3146","3150","10.1021/ic0483186","","","0.71073","MoKα","","0.0424","0.0376","","","0.0895","0.0907","","","","","","1.012","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308810","13.7559","0.0007","19.2829","0.001","26.2386","0.0013","90","","95.405","0.001","90","","6928.9","0.6","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 Ag6 N12 O24 -","- C60 H78 Ag6 N12 O24 -","- C240 H312 Ag24 N48 O96 -","4","1","","Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen","Well-Resolved, New Water Morphologies Obtained by Modification of the Hydrophilic/Hydrophobic Character and Shapes of the Supporting Layers","Inorganic Chemistry","2005","44","","3146","3150","10.1021/ic0483186","","","0.71073","MoKα","","0.0497","0.0456","","","0.105","0.1058","","","","","","1.012","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308811","17.0202","0.0013","21.3162","0.0016","27.282","0.002","90","","90","","90","","9898.1","1.3","123","2","123","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C40 H57 Ag4 N8 O18.5 -","- C40 H57 Ag4 N8 O18.5 -","- C320 H456 Ag32 N64 O148 -","8","0.5","","Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen","Well-Resolved, New Water Morphologies Obtained by Modification of the Hydrophilic/Hydrophobic Character and Shapes of the Supporting Layers","Inorganic Chemistry","2005","44","","3146","3150","10.1021/ic0483186","","","0.71073","MoKα","","0.055","0.0391","","","0.0795","0.0834","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308812","11.3921","0.0011","16.9719","0.0015","17.5613","0.0017","73.557","0.011","85.583","0.012","74.759","0.011","3142","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H152 Fe12 N12 O42 -","- C106 H152 Fe12 N12 O42 -","- C106 H152 Fe12 N12 O42 -","1","0.5","","Colette Boskovic; Hans U. Güdel; Gaël Labat; Antonia Neels; Wolfgang Wernsdorfer; Boujemaa Moubaraki; Keith S. Murray","High-Nuclearity Mixed-Chelate Ferric Complexes from a New Family of Polynuclear Precursors","Inorganic Chemistry","2005","44","","3181","3189","10.1021/ic048411u","","","0.71073","MoKα","","0.0854","0.0566","","","0.1358","0.1458","","","","","","0.944","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308813","17.7648","0.0012","19.763","0.002","20.5964","0.0019","109.091","0.01","112.105","0.009","103.271","0.01","5794.9","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H119 Fe11 N10 O39 -","- C84 H103 Fe11 N8 O38 -","- C168 H206 Fe22 N16 O76 -","2","1","","Colette Boskovic; Hans U. Güdel; Gaël Labat; Antonia Neels; Wolfgang Wernsdorfer; Boujemaa Moubaraki; Keith S. Murray","High-Nuclearity Mixed-Chelate Ferric Complexes from a New Family of Polynuclear Precursors","Inorganic Chemistry","2005","44","","3181","3189","10.1021/ic048411u","","","0.71073","MoKα","","0.1235","0.0572","","","0.119","0.1325","","","","","","0.712","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308814","9.3991","0.0016","9.8576","0.0017","11.5833","0.0019","72.152","0.003","87.777","0.003","63.519","0.003","908.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","00036aa","","","- C16 H24 Br Mg N O4 -","- C16 H24 Br Mg N O4 -","- C32 H48 Br2 Mg2 N2 O8 -","2","1","","M. Tyler Caudle; William W. Brennessel; Victor G. Young","Structural Variability and Dynamics in Carboxylato- and Carbamatomagnesium Bromides. Relationship to the Carboxylate Shift","Inorganic Chemistry","2005","44","","3233","3240","10.1021/ic048442p","","","0.71073","MoKα","","0.0439","0.0337","","","0.0724","0.0759","","","","","","1.029","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308815","13.186","0.001","13.981","0.001","23.562","0.002","97.387","0.001","92.529","0.002","102.686","0.001","4190.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","00038","","","- C80 H96 Br4 Mg4 N4 O15 -","- C80 H96 Br4 Mg4 N4 O15 -","- C160 H192 Br8 Mg8 N8 O30 -","2","1","","M. Tyler Caudle; William W. Brennessel; Victor G. Young","Structural Variability and Dynamics in Carboxylato- and Carbamatomagnesium Bromides. Relationship to the Carboxylate Shift","Inorganic Chemistry","2005","44","","3233","3240","10.1021/ic048442p","","","0.71073","MoKα","","0.0767","0.0493","","","0.14","0.152","","","","","","1.037","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308816","16.2945","0.0004","16.2945","0.0004","17.4321","0.0008","90","","90","","90","","4628.4","0.3","298","2","298","2","","","","","","","","4","P -4 21 c","P -4 2n","114","Tetrapropylammonium manganese (II) dicyanamide","Tetrapropylammonium manganese (II) dicyanamide","","- C18 H28 Mn N10 -","- C18.002 H28 Mn N10.001 -","- C144.016 H224 Mn8 N80.008 -","8","1","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.0523","0.0425","","","0.1105","0.1194","","","","","","1.062","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308817","16.1461","0.0006","16.1461","0.0006","17.4126","0.0013","90","","90","","90","","4539.4","0.4","180","2","180","2","","","","","","","","4","P -4 21 c","P -4 2n","114","Tetrapropylammonium manganese (II) dicyanamide","Tetrapropylammonium manganese (II) dicyanamide","","- C18 H28 Mn N10 -","- C18.004 H28 Mn N10.002 -","- C144.032 H224 Mn8 N80.016 -","8","1","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.0533","0.0519","","","0.112","0.1126","","","","","","1.162","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308818","17.1711","0.0015","22.9918","0.0018","22.75","0.002","90","","90","","90","","8981.6","1.3","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Tetrapropylammonium nickel (II) dicyanamide","Tetrapropylammonium nickel (II) dicyanamide","","- C18 H28 N10 Ni -","- C18 H28 N10 Ni -","- C288 H448 N160 Ni16 -","16","2","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.0782","0.0582","","","0.1357","0.1512","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308819","16.0985","0.0003","16.0985","0.0003","17.0287","0.0008","90","","90","","90","","4413.2","0.2","160","2","160","2","","","","","","","","4","P -4 21 c","P -4 2n","114","Tetrapropylammonium nickel (II) dicyanamide","Tetrapropylammonium nickel (II) dicyanamide","","- C18 H28 N10 Ni -","- C18 H28 N10 Ni -","- C144 H224 N80 Ni8 -","8","1","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.0661","0.0658","","","0.1674","0.1675","","","","","","1.232","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308820","17.116","0.002","22.8","0.003","22.641","0.003","90","","90","","90","","8835.5","1.9","110","2","110","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Tetrapropylammonium nickel (II) dicyanamide","Tetrapropylammonium nickel (II) dicyanamide","","- C18 H28 N10 Ni -","- C18 H28 N10 Ni -","- C288 H448 N160 Ni16 -","16","2","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.0584","0.0382","","","0.0851","0.0931","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308821","16.0107","0.0006","16.0114","0.0006","21.5577","0.0008","90","","90","","90","","5526.4","0.4","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Tetrabutylammonium manganese(II) dicyanamide","Tetrabutylammonium manganese(II) dicyanamide","","- C22 H36 Mn N10 -","- C22 H36 Mn N10 -","- C176 H288 Mn8 N80 -","8","2","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.0684","0.0376","","","0.0918","0.1071","","","","","","1.011","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308822","15.6842","0.0005","15.6841","0.0006","21.1551","0.0008","90","","90","","90","","5204","0.3","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Tetrabutylammonium nickel(II) dicyanamide","Tetrabutylammonium nickel(II) dicyanamide","","- C22 H36 N10 Ni -","- C22 H36 N10 Ni -","- C176 H288 N80 Ni8 -","8","2","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.079","0.0389","","","0.0868","0.1025","","","","","","1.007","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308823","13.2236","0.0006","11.63","0.0006","20.3176","0.0009","90","","90","","90","","3124.7","0.3","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Tetrapentylammonium manganese(II) dicyanamide","Tetrapentylammonium manganese(II) dicyanamide","","- C26 H44 Mn N10 -","- C26 H44 Mn N10 -","- C104 H176 Mn4 N40 -","4","0.5","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.1063","0.0609","","","0.1604","0.1929","","","","","","1.03","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308824","12.938","0.0004","11.6233","0.0004","19.8038","0.0007","90","","90","","90","","2978.14","0.17","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Tetrapentylammonium nickel(II) dicyanamide","Tetrapentylammonium nickel(II) dicyanamide","","- C26 H44 N10 Ni -","- C26 H44 N9.998 Ni -","- C104 H176 N39.992 Ni4 -","4","0.5","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.065","0.0452","","","0.1165","0.1304","","","","","","1.045","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308825","9.127","0.001","13.84","0.001","24.104","0.002","83.81","0.002","79.557","0.002","88.682","0.002","2976.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H72 Cl2 Cu2 N12 O23 -","- C48 H54 Cl2 Cu2 N12 O23 -","- C96 H108 Cl4 Cu4 N24 O46 -","2","1","","Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Simone Lucarini; Mauro Micheloni; Paola Paoli; Patrizia Rossi; Giovanni Zappia","Coordination Behavior toward Copper(II) and Zinc(II) Ions of Three Ligands Joining 3-Hydroxy-2-pyridinone and Polyaza Fragments","Inorganic Chemistry","2005","44","","3249","3260","10.1021/ic0484607","","","1.5418","CuKα","","0.0702","0.0665","","","0.1913","0.195","","","","","","1.062","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4308826","9.039","0.001","23.253","0.003","14.279","0.002","90","","96.339","0.007","90","","2982.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H36 Cl Cu N5 O13.5 -","- C21.5 H27 Cl Cu N5 O13.5 -","- C86 H108 Cl4 Cu4 N20 O54 -","4","1","","Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Simone Lucarini; Mauro Micheloni; Paola Paoli; Patrizia Rossi; Giovanni Zappia","Coordination Behavior toward Copper(II) and Zinc(II) Ions of Three Ligands Joining 3-Hydroxy-2-pyridinone and Polyaza Fragments","Inorganic Chemistry","2005","44","","3249","3260","10.1021/ic0484607","","","1.5418","CuKα","","0.0761","0.071","","","0.2121","0.2166","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308827","17.465","0.004","15.031","0.003","26.819","0.005","90","","102.68","0.03","90","","6869","3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 F3 Hg Ir O4 P3 S -","- C70 H70 F3 Hg Ir O4 P3 S -","- C280 H280 F12 Hg4 Ir4 O16 P12 S4 -","4","1","","Markus Brym; Cameron Jones; James D. E. T. Wilton-Ely","Auration, Argentation, and Mercuration Reactions of an Iridaphosphirene","Inorganic Chemistry","2005","44","","3275","3282","10.1021/ic048532u","","","0.71073","MoKα","","0.088","0.0596","","","0.1457","0.1608","","","","","","1.017","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308828","13.311","0.003","15.346","0.003","22.193","0.004","90","","105.03","0.03","90","","4378.3","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 Au Cl Ir O P3 -","- C48 H50 Au Cl Ir O P3 -","- C192 H200 Au4 Cl4 Ir4 O4 P12 -","4","1","","Markus Brym; Cameron Jones; James D. E. T. Wilton-Ely","Auration, Argentation, and Mercuration Reactions of an Iridaphosphirene","Inorganic Chemistry","2005","44","","3275","3282","10.1021/ic048532u","","","0.71073","MoKα","","0.1028","0.0584","","","0.1211","0.1392","","","","","","1.013","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308829","27.603","0.006","12.948","0.003","24.642","0.005","90","","114.34","0.03","90","","8024","4","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C77.5 H77 Au F3 Ir O4 P4 S -","- C77.5 H77 Au F3 Ir O4 P4 S -","- C310 H308 Au4 F12 Ir4 O16 P16 S4 -","4","1","","Markus Brym; Cameron Jones; James D. E. T. Wilton-Ely","Auration, Argentation, and Mercuration Reactions of an Iridaphosphirene","Inorganic Chemistry","2005","44","","3275","3282","10.1021/ic048532u","","","0.71073","MoKα","","0.0665","0.0544","","","0.1324","0.1409","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308830","13.39","0.003","15.254","0.003","22.148","0.004","90","","104.21","0.03","90","","4385.3","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 Ag Cl Ir O P3 -","- C48 H50 Ag Cl Ir O P3 -","- C192 H200 Ag4 Cl4 Ir4 O4 P12 -","4","1","","Markus Brym; Cameron Jones; James D. E. T. Wilton-Ely","Auration, Argentation, and Mercuration Reactions of an Iridaphosphirene","Inorganic Chemistry","2005","44","","3275","3282","10.1021/ic048532u","","","0.71073","MoKα","","0.0411","0.0311","","","0.0626","0.0664","","","","","","1.017","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308831","12.42","0.003","13.105","0.003","21.348","0.004","96.3","0.03","103.64","0.03","107.03","0.03","3168.3","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C71.5 H75 Cl Hg Ir O P3 -","- C71.5 H74.5 Cl Hg Ir O P3 -","- C143 H149 Cl2 Hg2 Ir2 O2 P6 -","2","1","","Markus Brym; Cameron Jones; James D. E. T. Wilton-Ely","Auration, Argentation, and Mercuration Reactions of an Iridaphosphirene","Inorganic Chemistry","2005","44","","3275","3282","10.1021/ic048532u","","","0.71073","MoKα","","0.0523","0.0388","","","0.0892","0.0958","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308832","11.1074","0.0008","16.54","0.0011","18.6656","0.0013","77.082","0.001","80.911","0.001","76.968","0.001","3235.3","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H62 Ag2 F12 N8 O P2 Si4 -","- C51 H62 Ag2 F12 N8 O P2 Si4 -","- C102 H124 Ag4 F24 N16 O2 P4 Si8 -","2","1","","Jung Woon Lee; Eun Ae Kim; Yun Ju Kim; Young-A Lee; Youngshang Pak; Ok-Sang Jung","Relationship between the Ratio of Ligand to Metal and the Coordinating Ability of Anions. Synthesis and Structural Properties of AgX-Bearing Bis(4-pyridyl)dimethylsilane (X-= NO2-, NO3-, CF3SO3-, and PF6-)","Inorganic Chemistry","2005","44","","3151","3155","10.1021/ic048537r","","","0.71073","MoKα","","0.1727","0.0537","","","0.126","0.1834","","","","","","0.925","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308833","24.557","0.003","9.649","0.002","13.906","0.002","90","0.02","115.63","0.02","90","0.02","2970.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag N3 O2 Si -","- C12 H14 Ag N3 O2 Si -","- C96 H112 Ag8 N24 O16 Si8 -","8","1","","Jung Woon Lee; Eun Ae Kim; Yun Ju Kim; Young-A Lee; Youngshang Pak; Ok-Sang Jung","Relationship between the Ratio of Ligand to Metal and the Coordinating Ability of Anions. Synthesis and Structural Properties of AgX-Bearing Bis(4-pyridyl)dimethylsilane (X-= NO2-, NO3-, CF3SO3-, and PF6-)","Inorganic Chemistry","2005","44","","3151","3155","10.1021/ic048537r","","","0.71073","MoKα","","0.0729","0.0722","","","0.2286","0.2301","","","","","","1.097","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308834","22.117","0.006","12.714","0.003","21.976","0.006","90","","99.218","0.005","90","","6100","3","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 Ag F3 N3 O4 S Si1.5 -","- C20 H25 Ag F3 N3 O4 S Si1.5 -","- C160 H200 Ag8 F24 N24 O32 S8 Si12 -","8","1","","Jung Woon Lee; Eun Ae Kim; Yun Ju Kim; Young-A Lee; Youngshang Pak; Ok-Sang Jung","Relationship between the Ratio of Ligand to Metal and the Coordinating Ability of Anions. Synthesis and Structural Properties of AgX-Bearing Bis(4-pyridyl)dimethylsilane (X-= NO2-, NO3-, CF3SO3-, and PF6-)","Inorganic Chemistry","2005","44","","3151","3155","10.1021/ic048537r","","","0.71073","MoKα","","0.2805","0.0754","","","0.1936","0.2832","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308835","24.074","0.001","9.7147","0.0003","33.303","0.002","90","","97.854","0.004","90","","7715.6","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 N5 O4 -","- C17 H25 N5 O4 -","- C272 H400 N80 O64 -","16","2","","Hayley A. Burkill; Neil Robertson; Ramón Vilar; Andrew J. P. White; David J. Williams","Synthesis, Structural Characterization, and Magnetic Studies of Polynuclear Iron Complexes with a New Disubstituted Pyridine Ligand","Inorganic Chemistry","2005","44","","3337","3346","10.1021/ic048620e","","","1.54178","CuKα","","0.0879","0.063","","0.1962","0.1693","","","","1.045","1.105","1.105","","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308836","19.754","0.004","12.848","0.002","18.185","0.004","90","","90","","90","","4615.3","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H45 Fe3 N15 O13 -","- C39 H45 Fe3 N15 O13 -","- C156 H180 Fe12 N60 O52 -","4","0.5","","Hayley A. Burkill; Neil Robertson; Ramón Vilar; Andrew J. P. White; David J. Williams","Synthesis, Structural Characterization, and Magnetic Studies of Polynuclear Iron Complexes with a New Disubstituted Pyridine Ligand","Inorganic Chemistry","2005","44","","3337","3346","10.1021/ic048620e","","","0.71073","MoKα","","0.0925","0.0493","","","0.0979","0.11","","","","","","0.987","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308837","29.052","0.008","21.79","0.006","10.205","0.002","90","","98.36","0.02","90","","6392","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H66 Cl4 Fe6 N10 O17 -","- C40 H60 Cl4 Fe6 N10 O17 -","- C160 H240 Cl16 Fe24 N40 O68 -","4","0.5","","Hayley A. Burkill; Neil Robertson; Ramón Vilar; Andrew J. P. White; David J. Williams","Synthesis, Structural Characterization, and Magnetic Studies of Polynuclear Iron Complexes with a New Disubstituted Pyridine Ligand","Inorganic Chemistry","2005","44","","3337","3346","10.1021/ic048620e","","","1.54178","CuKα","","0.2135","0.0871","","0.2978","0.1886","","","","1","1.227","1.227","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308838","10.653","0.0008","14.115","0.002","14.998","0.002","71.471","0.004","78.1136","0.0014","79.2564","0.0013","2074.6","0.4","180.2","","180.2","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H52.92 Cl4 N4 O1.46 P2 Pt -","- C38 H50 Cl3.996 N4 O1.459 P2 Pt -","- C76 H100 Cl7.992 N8 O2.918 P4 Pt2 -","2","1","","Nathan D. Jones; Patric Meessen; Udo Losehand; Brian O. Patrick; Brian R. James","Platinum(II) and Palladium(II) Complexes of Bisphosphine Ligands Bearing o-N,N-Dimethylanilinyl Substituents: A Hint of Catalytic Olefin Hydration","Inorganic Chemistry","2005","44","","3290","3298","10.1021/ic048639h","","","0.7107","MoKα","","0.0654","0.032","","0.0542","","0.0542","","","1.053","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308839","12.3471","0.0014","11.8502","0.0013","12.9845","0.0002","90","","94.7052","0.0004","90","","1893.4","0.3","180.2","","180.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H46 Cl4 N4 P2 Pt -","- C35 H46 Cl4 N4 P2 Pt -","- C70 H92 Cl8 N8 P4 Pt2 -","2","1","","Nathan D. Jones; Patric Meessen; Udo Losehand; Brian O. Patrick; Brian R. James","Platinum(II) and Palladium(II) Complexes of Bisphosphine Ligands Bearing o-N,N-Dimethylanilinyl Substituents: A Hint of Catalytic Olefin Hydration","Inorganic Chemistry","2005","44","","3290","3298","10.1021/ic048639h","","","0.7107","MoKα","","0.0413","","","0.0456","","","","","1.239","","","1.239","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308840","12.301","0.0003","11.8069","0.0003","12.9733","0.0004","90","","94.607","0.002","90","","1878.11","0.09","173.2","","173.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H46 Cl4 N4 P2 Pd -","- C35 H46 Cl4 N4 P2 Pd -","- C70 H92 Cl8 N8 P4 Pd2 -","2","1","","Nathan D. Jones; Patric Meessen; Udo Losehand; Brian O. Patrick; Brian R. James","Platinum(II) and Palladium(II) Complexes of Bisphosphine Ligands Bearing o-N,N-Dimethylanilinyl Substituents: A Hint of Catalytic Olefin Hydration","Inorganic Chemistry","2005","44","","3290","3298","10.1021/ic048639h","","","0.7107","MoKα","","0.0407","0.022","","0.0624","","0.0624","","","1.085","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308841","9.9087","0.0009","11.2071","0.0004","20.0765","0.001","87.556","0.002","86.209","0.002","70.624","0.002","2098.1","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H46 Cl3 F3 N4 O3 P2 Pd S -","- C36 H46 Cl3 F3 N4 O3 P2 Pd S -","- C72 H92 Cl6 F6 N8 O6 P4 Pd2 S2 -","2","1","","Nathan D. Jones; Patric Meessen; Udo Losehand; Brian O. Patrick; Brian R. James","Platinum(II) and Palladium(II) Complexes of Bisphosphine Ligands Bearing o-N,N-Dimethylanilinyl Substituents: A Hint of Catalytic Olefin Hydration","Inorganic Chemistry","2005","44","","3290","3298","10.1021/ic048639h","","","0.71069","MoKα","","0.0522","0.0379","","","0.0896","0.0959","","","","","","1.055","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308842","20.956","0.013","9.884","0.006","24.318","0.014","90","","95.87","0.05","90","","5011","5","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Mn(titmb)(N3)2]-1.5(H2O)","","- C21 H27 Mn N12 O1.5 -","- C21 H27 Mn N12 O1.5 -","- C168 H216 Mn8 N96 O12 -","8","1","","Wei Zhao; You Song; Taka-aki Okamura; Jian Fan; Wei-Yin Sun; Norikazu Ueyama","Syntheses, Crystal Structures, and Magnetic Properties of Novel Manganese(II) Complexes with Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene","Inorganic Chemistry","2005","44","","3330","3336","10.1021/ic048816e","","","0.71075","MoKα","","0.0775","0.0442","","","0.1005","0.108","","","","","","0.864","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308843","12.4","0.009","16.827","0.012","17.196","0.011","66.35","0.05","76.66","0.05","71.03","0.06","3087","4","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Mn3(titmb)2(C2O4)3(H2O)]-10(H2O)","","- C48 H70 Mn3 N12 O23 -","- C48 H48 Mn3 N12 O23 -","- C96 H96 Mn6 N24 O46 -","2","1","","Wei Zhao; You Song; Taka-aki Okamura; Jian Fan; Wei-Yin Sun; Norikazu Ueyama","Syntheses, Crystal Structures, and Magnetic Properties of Novel Manganese(II) Complexes with Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene","Inorganic Chemistry","2005","44","","3330","3336","10.1021/ic048816e","","","0.71075","MoKα","","0.2447","0.0655","","","0.0765","0.0949","","","","","","0.814","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308844","10.7294","0.0006","11.2504","0.0006","12.9565","0.0008","95.776","0.001","96.792","0.001","104.767","0.001","1487.71","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Br4 Fe N4 O4 -","- C28 H21 Br4 Fe N4 O4 -","- C56 H42 Br8 Fe2 N8 O8 -","2","1","","Musa S. Shongwe; Catherine H. Kaschula; Michael S. Adsetts; Eric W. Ainscough; Andrew M. Brodie; Michael J. Morris","A Phenolate-Induced Trans Influence: Crystallographic Evidence for Unusual Asymmetric Coordination of an α-Diimine in Ternary Complexes of Iron(III) Possessing Biologically Relevant Hetero-Donor N-Centered Tripodal Ligands","Inorganic Chemistry","2005","44","","3070","3079","10.1021/ic048835o","","","0.71073","MoKα","","0.0737","0.0576","","","0.1381","0.1451","","","","","","0.98","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308845","10.812","0.0007","10.9511","0.0007","12.8649","0.0009","94.065","0.001","96.567","0.001","104.55","0.001","1456.84","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl2 Fe N4 O4 -","- C30 H27 Cl2 Fe N4 O4 -","- C60 H54 Cl4 Fe2 N8 O8 -","2","1","","Musa S. Shongwe; Catherine H. Kaschula; Michael S. Adsetts; Eric W. Ainscough; Andrew M. Brodie; Michael J. Morris","A Phenolate-Induced Trans Influence: Crystallographic Evidence for Unusual Asymmetric Coordination of an α-Diimine in Ternary Complexes of Iron(III) Possessing Biologically Relevant Hetero-Donor N-Centered Tripodal Ligands","Inorganic Chemistry","2005","44","","3070","3079","10.1021/ic048835o","","","0.71073","MoKα","","0.0665","0.0481","","","0.1031","0.1137","","","","","","1.063","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308846","10.3579","0.0004","24.8932","0.0011","18.2655","0.0008","90","","93.884","0.001","90","","4698.8","0.3","294","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Fe2 N4 O3 P2 S4 -","- C48 H38 Fe2 N4 O3 P2 S4 -","- C192 H152 Fe8 N16 O12 P8 S16 -","4","1","","Hao-Wen Chen; Chin-Wei Lin; Chiao-Chun Chen; Li-Bo Yang; Ming-Hsi Chiang; Wen-Feng Liaw","Homodinuclear Iron Thiolate Nitrosyl Compounds [(ON)Fe(S,S-C6H4)2Fe(NO)2]- and [(ON)Fe(SO2,S-C6H4)(S,S-C6H4)Fe(NO)2]- with {Fe(NO)}7-{Fe(NO)2}9 Electronic Coupling: New Members of a Class of Dinitrosyl Iron Complexes","Inorganic Chemistry","2005","44","","3226","3232","10.1021/ic049105j","","","0.71073","MoKα","","0.0728","0.0369","","","0.1015","0.1309","","","","","","0.749","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308847","10.2033","0.0004","25.0154","0.0009","18.2842","0.0006","90","","91.941","0.001","90","","4664.2","0.3","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Fe2 N4 O5 P2 S4 -","- C48 H38 Fe2 N4 O5 P2 S4 -","- C192 H152 Fe8 N16 O20 P8 S16 -","4","1","","Hao-Wen Chen; Chin-Wei Lin; Chiao-Chun Chen; Li-Bo Yang; Ming-Hsi Chiang; Wen-Feng Liaw","Homodinuclear Iron Thiolate Nitrosyl Compounds [(ON)Fe(S,S-C6H4)2Fe(NO)2]- and [(ON)Fe(SO2,S-C6H4)(S,S-C6H4)Fe(NO)2]- with {Fe(NO)}7-{Fe(NO)2}9 Electronic Coupling: New Members of a Class of Dinitrosyl Iron Complexes","Inorganic Chemistry","2005","44","","3226","3232","10.1021/ic049105j","","","0.71073","MoKα","","0.0672","0.0615","","","0.1334","0.1358","","","","","","1.276","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308848","11.85","0.05","12.46","0.05","14.44","0.06","96.51","0.08","108.2","0.07","111.18","0.08","1826","13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","tbupypyphZnAqua","(2-Picolyl)(6-phenyl-2-picolyl)(2-hydroxy-3,5-di-tert-butyl-benzyl)amin- aqua-zink-perchlorat","","- C34 H42 Cl3 N3 O6 Zn -","- C34 H42 Cl3 N3 O6 Zn -","- C68 H84 Cl6 N6 O12 Zn2 -","2","1","","Florian Gross; Heinrich Vahrenkamp","Zinc Complex Chemistry of N,N,O Ligands Providing a Hydrophobic Cavity","Inorganic Chemistry","2005","44","","3321","3329","10.1021/ic050042u","","","0.71073","MoKα","","0.0965","0.052","","","0.1066","0.1252","","","","","","0.888","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308849","10.03","0.0018","12.151","0.002","13.196","0.002","85.685","0.003","81.476","0.003","73.702","0.003","1525.6","0.4","243","2","243","2","","","","","","","","6","P -1","-P 1","2","tbuL(pyme)2ZnAqua","Bis(6-Methyl-2-picolyl)(2-hydroxy-3,5-di-tert-butyl-benzyl)amin-aqua- zink-perchlorat","","- C29 H40 Cl N3 O6 Zn -","- C29 H40 Cl N3 O6 Zn -","- C58 H80 Cl2 N6 O12 Zn2 -","2","1","","Florian Gross; Heinrich Vahrenkamp","Zinc Complex Chemistry of N,N,O Ligands Providing a Hydrophobic Cavity","Inorganic Chemistry","2005","44","","3321","3329","10.1021/ic050042u","","","0.71073","MoKα","","0.0727","0.0501","","","0.1339","0.1495","","","","","","1.044","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308850","21.658","0.004","10.2571","0.0018","17.68","0.003","90","","112.659","0.004","90","","3624.4","1.1","248","2","248","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tbuL(pyph)2Zn","Bis(6-Phenyl-2-picolyl)(2-hydroxy-3,5-di-tert-butyl-benzyl)amin- zink-perchlorat","","- C39 H44 Cl N3 O6 Zn -","- C39 H42 Cl N3 O6 Zn -","- C156 H168 Cl4 N12 O24 Zn4 -","4","1","","Florian Gross; Heinrich Vahrenkamp","Zinc Complex Chemistry of N,N,O Ligands Providing a Hydrophobic Cavity","Inorganic Chemistry","2005","44","","3321","3329","10.1021/ic050042u","","","0.71073","MoKα","","0.0715","0.0477","","","0.1357","0.1529","","","","","","1.075","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308851","11.078","0.019","15.48","0.03","24.18","0.04","83.08","0.03","83.92","0.03","79.88","0.04","4037","12","243","2","243","2","","","","","","","","6","P -1","-P 1","2","tbuLpyphpyZn-4-nitrophenolat","((2-Picolyl)(6-phenyl-2-picolyl)(2-hydroxy-3,5-di-tert-butyl-benzyl)amin) zink-4","","- C40.5 H48 Cl N4 O5.5 Zn -","- C40.5 H42 Cl N4 O5.5 Zn -","- C162 H168 Cl4 N16 O22 Zn4 -","4","2","","Florian Gross; Heinrich Vahrenkamp","Zinc Complex Chemistry of N,N,O Ligands Providing a Hydrophobic Cavity","Inorganic Chemistry","2005","44","","3321","3329","10.1021/ic050042u","","","0.71073","MoKα","","0.128","0.0686","","","0.1797","0.2168","","","","","","0.945","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308852","21.204","0.004","18.506","0.003","19.58","0.004","90","","95.286","0.003","90","","7651","2","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","TbuLpyphpyZnPyridin","(2-Picolyl)(6-phenyl-2-picolyl)(2-hydroxy-3,5-di-tert-butyl-benzyl)amin- pyridin-zink-perchlorat","","- C38.5 H45 Cl2 N4 O5.5 Zn -","- C38.5 H43 Cl2 N4 O5.5 Zn -","- C308 H344 Cl16 N32 O44 Zn8 -","8","1","","Florian Gross; Heinrich Vahrenkamp","Zinc Complex Chemistry of N,N,O Ligands Providing a Hydrophobic Cavity","Inorganic Chemistry","2005","44","","3321","3329","10.1021/ic050042u","","","0.71073","MoKα","","0.1031","0.06","","","0.1561","0.1891","","","","","","1.038","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308853","13.355","0.006","11.687","0.006","29.348","0.014","90","","94.385","0.009","90","","4567","4","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tbuLpyphpyZnAcetylpyridin","((2-Picolyl)(6-phenyl-2-picolyl)(2-hydroxy-3,5-di-tert-butyl-benzyl)amin) 2-acet","","- C42 H49 Cl3 N4 O6 Zn -","- C42 H49 Cl5 N4 O6 Zn -","- C168 H196 Cl20 N16 O24 Zn4 -","4","1","","Florian Gross; Heinrich Vahrenkamp","Zinc Complex Chemistry of N,N,O Ligands Providing a Hydrophobic Cavity","Inorganic Chemistry","2005","44","","3321","3329","10.1021/ic050042u","","","0.71073","MoKα","","0.2768","0.0978","","","0.2391","0.3329","","","","","","0.875","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308854","10.9754","0.0008","11.4045","0.0008","12.9314","0.0009","109.108","0.001","98.409","0.001","102.747","0.001","1449.22","0.18","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H58 Ag2 B2 F8 N12 O6 P2 -","- C54 H58 Ag2 B2 F8 N12 O6 P2 -","- C54 H58 Ag2 B2 F8 N12 O6 P2 -","1","0.5","","Daniel L. Reger; Radu F. Semeniuc; Burjor Captain; Mark D. Smith","An Unprecedented Coordination Mode of the Tris(pyrazolyl)methane Donor Set in {[Ph2(O)POCH2C(pz)3Ag]2(THF)2}(BF4)2: κ2-κ1 Bimetallic, Nσ/Nπ Chelating","Inorganic Chemistry","2005","44","","2995","2997","10.1021/ic0501162","","","0.71073","MoKα","","0.0455","0.0404","","","0.0993","0.1027","","","","","","1.047","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308855","12.361","0.005","17.884","0.005","19.837","0.005","108.153","0.005","97.856","0.005","100.075","0.005","4016","2","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40.5 H34 Mo O4.5 P2 S4 -","- C40.5 H34 Mo O4.5 P2 S4 -","- C162 H136 Mo4 O18 P8 S16 -","4","2","","Michel Guerro; Thierry Roisnel; Pascal Pellon; Dominique Lorcy","Redox-Active Dithiafulvenyldiphenylphosphine as a Mono- or Bidentate Ligand: Intramolecular Coupling Reaction in the Coordination Sphere of a Metal Carbonyl Fragment","Inorganic Chemistry","2005","44","","3347","3355","10.1021/ic0501465","","x-ray","0.71069","MoKα","","0.1233","0.0492","","","0.0892","0.1182","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308856","11.814","0.005","12.332","0.005","15.941","0.005","78.86","0.005","85.905","0.005","74.533","0.005","2195.7","1.5","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C46 H34 O4 P2 S4 W -","- C46 H34 O4 P2 S4 W -","- C92 H68 O8 P4 S8 W2 -","2","1","","Michel Guerro; Thierry Roisnel; Pascal Pellon; Dominique Lorcy","Redox-Active Dithiafulvenyldiphenylphosphine as a Mono- or Bidentate Ligand: Intramolecular Coupling Reaction in the Coordination Sphere of a Metal Carbonyl Fragment","Inorganic Chemistry","2005","44","","3347","3355","10.1021/ic0501465","","x-ray","0.71069","MoKα","","0.0762","0.0406","","","0.0816","0.0954","","","","","","1.03","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308857","11.353","0.005","10.863","0.005","18.796","0.005","90","0.005","100.271","0.005","90","0.005","2280.9","1.6","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 O4 P S2 W -","- C22 H17 O4 P S2 W -","- C88 H68 O16 P4 S8 W4 -","4","1","","Michel Guerro; Thierry Roisnel; Pascal Pellon; Dominique Lorcy","Redox-Active Dithiafulvenyldiphenylphosphine as a Mono- or Bidentate Ligand: Intramolecular Coupling Reaction in the Coordination Sphere of a Metal Carbonyl Fragment","Inorganic Chemistry","2005","44","","3347","3355","10.1021/ic0501465","","x-ray","0.71069","MoKα","","0.0759","0.031","","","0.0471","0.0573","","","","","","1.063","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308858","11.581","0.005","11.885","0.005","15.169","0.005","82.59","0.005","88.004","0.005","70.538","0.005","1952.1","1.3","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40 H32 O4 P2 S4 W -","- C40 H32 O4 P2 S4 W -","- C80 H64 O8 P4 S8 W2 -","2","1","","Michel Guerro; Thierry Roisnel; Pascal Pellon; Dominique Lorcy","Redox-Active Dithiafulvenyldiphenylphosphine as a Mono- or Bidentate Ligand: Intramolecular Coupling Reaction in the Coordination Sphere of a Metal Carbonyl Fragment","Inorganic Chemistry","2005","44","","3347","3355","10.1021/ic0501465","","x-ray","0.71069","MoKα","","0.1345","0.0488","","","0.0864","0.1107","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308859","11.1042","0.0003","8.1767","0.0003","21.874","0.0005","90","","91.81","0.01","90","","1985.07","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 F6 N2 O2 Pd -","- C42 H48 F6 N2 O2 Pd -","- C84 H96 F12 N4 O4 Pd2 -","2","0.5","","Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt","Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States","Inorganic Chemistry","2005","44","","3709","3717","10.1021/ic048292i","","","1.54178","CuKα","","0.0479","0.0464","","0.1373","0.1352","","","","1.151","1.16","1.16","","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308860","10.943","0.004","15.062","0.005","17.238","0.007","82.15","0.03","86.89","0.03","85.89","0.03","2804.5","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Hg N2 O2 S2 -","- C22 H28 Hg N2 O2 S2 -","- C88 H112 Hg4 N8 O8 S8 -","4","2","","Masahiro Kato; Kazunori Kojima; Taka-aki Okamura; Hitoshi Yamamoto; Takeshi Yamamura; Norikazu Ueyama","Relation between Intramolecular NH...S Hydrogen Bonds and Coordination Number in Mercury(II) Complexes with Carbamoylbenzenethiol Derivatives","Inorganic Chemistry","2005","44","","4037","4044","10.1021/ic0481780","","","0.71069","MoKα","","0.1804","0.0729","","","0.1942","0.224","","","","","","1.212","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308861","21.993","0.005","9.173","0.005","8.95","0.005","90","","104.09","0.03","90","","1751.3","1.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Hg N2 O2 S2 -","- C16 H16 Hg N2 O2 S2 -","- C64 H64 Hg4 N8 O8 S8 -","4","0.5","","Masahiro Kato; Kazunori Kojima; Taka-aki Okamura; Hitoshi Yamamoto; Takeshi Yamamura; Norikazu Ueyama","Relation between Intramolecular NH...S Hydrogen Bonds and Coordination Number in Mercury(II) Complexes with Carbamoylbenzenethiol Derivatives","Inorganic Chemistry","2005","44","","4037","4044","10.1021/ic0481780","","","0.71069","MoKα","","0.0773","0.0527","","","0.1298","0.1431","","","","","","1.033","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308862","4.696","0.0013","11.8346","0.0018","12.327","0.002","103.389","0.013","100.939","0.018","92.295","0.017","651.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Hg N2 O2 S2 -","- C28 H24 Hg N2 O2 S2 -","- C28 H24 Hg N2 O2 S2 -","1","0.5","","Masahiro Kato; Kazunori Kojima; Taka-aki Okamura; Hitoshi Yamamoto; Takeshi Yamamura; Norikazu Ueyama","Relation between Intramolecular NH...S Hydrogen Bonds and Coordination Number in Mercury(II) Complexes with Carbamoylbenzenethiol Derivatives","Inorganic Chemistry","2005","44","","4037","4044","10.1021/ic0481780","","","0.71069","MoKα","","0.1286","0.0325","","","0.0597","0.0737","","","","","","0.952","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308863","12.679","0.003","12.679","0.003","33.381","0.006","90","","90","","90","","5366","2","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H72 Hg N6 O4 S4 -","- C48 H72 Hg N6 O4 S4 -","- C192 H288 Hg4 N24 O16 S16 -","4","0.25","","Masahiro Kato; Kazunori Kojima; Taka-aki Okamura; Hitoshi Yamamoto; Takeshi Yamamura; Norikazu Ueyama","Relation between Intramolecular NH...S Hydrogen Bonds and Coordination Number in Mercury(II) Complexes with Carbamoylbenzenethiol Derivatives","Inorganic Chemistry","2005","44","","4037","4044","10.1021/ic0481780","","","0.71069","MoKα","","0.193","0.0534","","","0.1356","0.181","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308864","12.9219","0.0016","17.563","0.002","18.195","0.002","90","","90","","90","","4129.3","0.8","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 Br4 N6 O2 Os -","- C36 H26 Br4 N7 O2 Os -","- C144 H104 Br16 N28 O8 Os4 -","4","1","","Jing Zhang; Jiang-Lin Liang; Xian-Ru Sun; Hai-Bing Zhou; Nian-Yong Zhu; Zhong-Yuan Zhou; Philip Wai Hong Chan; Chi-Ming Che","Chiral Osmium Complexes with Sterically Bulky Schiff-Base Ligands. Crystal Structures of Os(IV) Derivatives and the Reactivity and Catalytic Cyclopropanation of Alkenes with EDA","Inorganic Chemistry","2005","44","","3942","3954","10.1021/ic0481935","","","0.71073","MoKα","","0.0632","0.0387","","","0.0767","0.0804","","","","","","1.008","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308865","12.1571","0.0011","13.3553","0.0012","13.3721","0.0012","69.723","0.002","81.066","0.002","71.178","0.002","1925.4","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 Cl2 N2 O2 Os -","- C36 H52 Cl2 N2 O2 Os -","- C72 H104 Cl4 N4 O4 Os2 -","2","1","","Jing Zhang; Jiang-Lin Liang; Xian-Ru Sun; Hai-Bing Zhou; Nian-Yong Zhu; Zhong-Yuan Zhou; Philip Wai Hong Chan; Chi-Ming Che","Chiral Osmium Complexes with Sterically Bulky Schiff-Base Ligands. Crystal Structures of Os(IV) Derivatives and the Reactivity and Catalytic Cyclopropanation of Alkenes with EDA","Inorganic Chemistry","2005","44","","3942","3954","10.1021/ic0481935","","","0.71073","MoKα","","0.054","0.0445","","","0.1095","0.1183","","","","","","0.812","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308866","18.688","0.002","11.941","0.001","20.078","0.002","90","","94.43","0.02","90","","4467.1","0.8","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cl N2 O3 Os -","- C36 H50 Cl N2 O3 Os -","- C144 H200 Cl4 N8 O12 Os4 -","4","1","","Jing Zhang; Jiang-Lin Liang; Xian-Ru Sun; Hai-Bing Zhou; Nian-Yong Zhu; Zhong-Yuan Zhou; Philip Wai Hong Chan; Chi-Ming Che","Chiral Osmium Complexes with Sterically Bulky Schiff-Base Ligands. Crystal Structures of Os(IV) Derivatives and the Reactivity and Catalytic Cyclopropanation of Alkenes with EDA","Inorganic Chemistry","2005","44","","3942","3954","10.1021/ic0481935","","","0.71073","MoKα","","0.1022","0.0593","","","0.2019","0.2265","","","","","","1.09","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308867","12.574","0.003","17.4","0.004","19.254","0.004","90","","104.25","0.03","90","","4082.9","1.7","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H28 Br4 Cl4.5 N6 O6 Os -","- C33.5 H25 Br4 Cl4.5 N6 O6 Os -","- C134 H100 Br16 Cl18 N24 O24 Os4 -","4","1","","Jing Zhang; Jiang-Lin Liang; Xian-Ru Sun; Hai-Bing Zhou; Nian-Yong Zhu; Zhong-Yuan Zhou; Philip Wai Hong Chan; Chi-Ming Che","Chiral Osmium Complexes with Sterically Bulky Schiff-Base Ligands. Crystal Structures of Os(IV) Derivatives and the Reactivity and Catalytic Cyclopropanation of Alkenes with EDA","Inorganic Chemistry","2005","44","","3942","3954","10.1021/ic0481935","","","0.71069","MoKα","","0.092","0.0505","","","0.1225","0.1534","","","","","","0.941","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308868","12.681","0.003","14.074","0.003","14.727","0.003","67.19","0.03","72.51","0.03","85.65","0.03","2308.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 F6 N2 O6 Os -","- C40 H54 F6 N2 O6 Os -","- C80 H108 F12 N4 O12 Os2 -","2","1","","Jing Zhang; Jiang-Lin Liang; Xian-Ru Sun; Hai-Bing Zhou; Nian-Yong Zhu; Zhong-Yuan Zhou; Philip Wai Hong Chan; Chi-Ming Che","Chiral Osmium Complexes with Sterically Bulky Schiff-Base Ligands. Crystal Structures of Os(IV) Derivatives and the Reactivity and Catalytic Cyclopropanation of Alkenes with EDA","Inorganic Chemistry","2005","44","","3942","3954","10.1021/ic0481935","","","0.71069","MoKα","","0.0638","0.0441","","","0.111","0.1326","","","","","","0.995","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308869","12.522","0.003","24.059","0.005","26.455","0.005","90","","90","","90","","7970","3","301","2","301","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H52 I2 N2 O2 Os -","- C36 H52 I2 N2 O2 Os -","- C288 H416 I16 N16 O16 Os8 -","8","1","","Jing Zhang; Jiang-Lin Liang; Xian-Ru Sun; Hai-Bing Zhou; Nian-Yong Zhu; Zhong-Yuan Zhou; Philip Wai Hong Chan; Chi-Ming Che","Chiral Osmium Complexes with Sterically Bulky Schiff-Base Ligands. Crystal Structures of Os(IV) Derivatives and the Reactivity and Catalytic Cyclopropanation of Alkenes with EDA","Inorganic Chemistry","2005","44","","3942","3954","10.1021/ic0481935","","","0.71073","MoKα","","0.0791","0.0278","","","0.0563","0.0634","","","","","","0.502","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308870","11.869","0.0008","24.1803","0.0016","17.5712","0.0011","90","","93.379","0.001","90","","5034.1","0.6","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H72 Fe4 N4 O3 S8 -","- C30 H72 Fe4 N4 O3 S8 -","- C120 H288 Fe16 N16 O12 S32 -","4","1","","Marc A. Walters; Cara L. Roche; Arnold L. Rheingold; Scott W. Kassel","N-H...S Hydrogen Bonds in a Ferredoxin Model","Inorganic Chemistry","2005","44","","3777","3779","10.1021/ic048208z","","","0.71073","MoKα","","0.0608","0.0483","","","0.1197","0.1277","","","","","","1.023","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308871","12.9165","0.0004","12.9165","0.0004","35.038","0.002","90","","90","","90","","5845.6","0.4","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H80 Cl4 N4 O8 Zn4 -","- C48 H80 Cl4 N4 O8 Zn4 -","- C192 H320 Cl16 N16 O32 Zn16 -","4","0.25","","En-Che Yang; Cem Kirman; Jon Lawrence; Lev N. Zakharov; Arnold L. Rheingold; Stephen Hill; David N. Hendrickson","Single-Molecule Magnets: High-Field Electron Paramagnetic Resonance Evaluation of the Single-Ion Zero-Field Interaction in a ZnII3NiII Complex","Inorganic Chemistry","2005","44","","3827","3836","10.1021/ic0482279","","","0.71073","MoKα","","0.0233","0.0214","","","0.0546","0.0554","","","","","","1.055","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308872","11.1297","0.0003","16.192","0.001","21.645","0.002","90","","100.795","0.0004","90","","3831.7","0.4","223.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H120 Li2 O16 Ru2 -","- C72 H120 Li2 O16 Ru2 -","- C144 H240 Li4 O32 Ru4 -","2","0.5","","Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Effects of Countercations on the Structures and Redox and Spectroscopic Properties of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds","Inorganic Chemistry","2005","44","","3810","3817","10.1021/ic048250u","","","0.7107","MoKα","","","0.0332","","","","0.0621","","","","","","1.668","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308873","30.572","0.003","30.572","0.003","19.309","0.003","90","","90","","120","","15629","3","223.2","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H100 K2 O12 Ru2 -","- C64 H100 K2 O12 Ru2 -","- C576 H900 K18 O108 Ru18 -","9","0.5","","Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Effects of Countercations on the Structures and Redox and Spectroscopic Properties of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds","Inorganic Chemistry","2005","44","","3810","3817","10.1021/ic048250u","","","0.7107","MoKα","","","0.032","","","","0.042","","","","","","1.134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308874","30.511","0.002","30.511","0.002","19.4609","0.0001","90","","90","","120","","15689.4","1.5","223.2","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H100 O12 Rb2 Ru2 -","- C64 H100 O12 Rb2 Ru2 -","- C576 H900 O108 Rb18 Ru18 -","9","0.5","","Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Effects of Countercations on the Structures and Redox and Spectroscopic Properties of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds","Inorganic Chemistry","2005","44","","3810","3817","10.1021/ic048250u","","","0.7107","MoKα","","","0.0487","","","","0.0709","","","","","","1.329","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308875","25.481","0.007","19.026","0.005","22.818","0.006","90","","116.243","0.003","90","","9922","5","223.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H166 N2 O8 Ru2 -","- C94 H166 N2 O8 Ru2 -","- C376 H664 N8 O32 Ru8 -","4","0.5","","Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Effects of Countercations on the Structures and Redox and Spectroscopic Properties of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds","Inorganic Chemistry","2005","44","","3810","3817","10.1021/ic048250u","","","0.7107","MoKα","","","0.0476","","","","0.0668","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308876","11.568","0.003","12.233","0.004","13.014","0.004","96.9","0.01","113.13","0.02","101.25","0.02","1621","0.9","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 N2 Na3 O10 Ru2 -","- C30 H30 N2 Na3 O10 Ru2 -","- C60 H60 N4 Na6 O20 Ru4 -","2","1","","Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Substituent-Directed Structural and Physicochemical Controls of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds","Inorganic Chemistry","2005","44","","3799","3809","10.1021/ic048251m","","","0.7107","MoKα","","","0.0579","","","","0.0946","","","","","","1.536","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308877","13.287","0.002","14.054","0.002","18.642","0.002","90.994","0.006","95.842","0.004","105.648","0.006","3331","0.8","223.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 Br16 Na2 O14 Ru2 -","- C48 H48 Br16 Na2 O14 Ru2 -","- C96 H96 Br32 Na4 O28 Ru4 -","2","1","","Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Substituent-Directed Structural and Physicochemical Controls of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds","Inorganic Chemistry","2005","44","","3799","3809","10.1021/ic048251m","","","0.7107","MoKα","","","0.0656","","","","0.0864","","","","","","1.217","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308878","11.073","0.002","16.211","0.002","22.136","0.003","90","","100.146","0.003","90","","3911.4","1","223.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H120 Na2 O16 Ru2 -","- C72 H120 Na2 O16 Ru2 -","- C144 H240 Na4 O32 Ru4 -","2","0.5","","Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Substituent-Directed Structural and Physicochemical Controls of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds","Inorganic Chemistry","2005","44","","3799","3809","10.1021/ic048251m","","","0.7107","MoKα","","","0.0399","","","","0.0549","","","","","","1.321","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308879","13.8142","0.0005","13.8142","0.0005","33.628","0.002","90","","90","","120","","5557.5","0.4","223.2","","","","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C72 H112 Na2 O12 Ru2 -","- C72 H112 Na2 O12 Ru2 -","- C216 H336 Na6 O36 Ru6 -","3","0.5","","Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Substituent-Directed Structural and Physicochemical Controls of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds","Inorganic Chemistry","2005","44","","3799","3809","10.1021/ic048251m","","","0.7107","MoKα","","","0.0934","","","","0.1329","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308880","12.724","0.002","27.929","0.003","15.907","0.002","90","","97.63","0.003","90","","5602.8","1.3","223.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Br16 Na3 O14 Ru2 -","- C36 H28 Br16 Na3 O14 Ru2 -","- C144 H112 Br64 Na12 O56 Ru8 -","4","1","","Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Substituent-Directed Structural and Physicochemical Controls of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds","Inorganic Chemistry","2005","44","","3799","3809","10.1021/ic048251m","","","0.7107","MoKα","","","0.0537","","","","0.0944","","","","","","1.154","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308881","21.4984","0.001","21.4984","0.001","21.4984","0.001","90","","90","","90","","9936.2","0.8","158","2","158","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C27 H39 I U -","- C27 H39 I U -","- C432 H624 I16 U16 -","16","0.333333","","William J. Evans; Stosh A. Kozimor; Joseph W. Ziller; Anatolii A. Fagin; Mikhail N. Bochkarev","Facile Syntheses of Unsolvated UI3 and Tetramethylcyclopentadienyl Uranium Halides","Inorganic Chemistry","2005","44","","3993","4000","10.1021/ic0482685","","","0.71073","MoKα","","0.0239","0.0184","","","0.0438","0.0467","","","","","","1.163","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4308882","17.7866","0.0016","6.7022","0.0006","15.654","0.0014","90","","90","","90","","1866.1","0.3","163","2","163","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C18 H26 Cl2 U -","- C18 H26 Cl2 U -","- C72 H104 Cl8 U4 -","4","0.25","","William J. Evans; Stosh A. Kozimor; Joseph W. Ziller; Anatolii A. Fagin; Mikhail N. Bochkarev","Facile Syntheses of Unsolvated UI3 and Tetramethylcyclopentadienyl Uranium Halides","Inorganic Chemistry","2005","44","","3993","4000","10.1021/ic0482685","","","0.71073","MoKα","","0.0126","0.0121","","","0.029","0.0292","","","","","","1.136","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308883","11.702","0.008","17.859","0.01","10.582","0.007","105.25","0.04","90.43","0.06","83.17","0.05","2118","2","298","","","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H68 F24 N28 Ni2 O6 P4 -","- C70 H56 F24 N28 Ni2 O6 P4 -","- C70 H56 F24 N28 Ni2 O6 P4 -","1","0.5","","Shin-ichiro Noro; Susumu Kitagawa; Takayoshi Nakamura; Tatsuo Wada","Synthesis and Crystallographic Characterization of Low-Dimensional and Porous Coordination Compounds Capable of Supramolecular Aromatic Interaction Using the 4,4'-Azobis(pyridine) Ligand","Inorganic Chemistry","2005","44","","3960","3971","10.1021/ic048371u","","","0.7107","MoKα","","","0.0627","","","","0.0953","","","","","","1.246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308884","11.635","0.004","17.631","0.007","10.58","0.004","105.17","0.01","90.06","0.02","83.11","0.01","2078.5","1.3","93.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H68 F24 N28 Ni2 O6 P4 -","- C70 H56 F24 N28 Ni2 O6 P4 -","- C70 H56 F24 N28 Ni2 O6 P4 -","1","0.5","","Shin-ichiro Noro; Susumu Kitagawa; Takayoshi Nakamura; Tatsuo Wada","Synthesis and Crystallographic Characterization of Low-Dimensional and Porous Coordination Compounds Capable of Supramolecular Aromatic Interaction Using the 4,4'-Azobis(pyridine) Ligand","Inorganic Chemistry","2005","44","","3960","3971","10.1021/ic048371u","","","0.7107","MoKα","","","0.0687","","","","0.2154","","","","","","2.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308885","11.736","0.005","17.878","0.006","10.615","0.004","105.07","0.01","90.26","0.01","83.1","0.01","2134.2","1.4","293.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H68 Co2 F24 N28 O6 P4 -","- C70 H56 Co2 F24 N28 O6 P4 -","- C70 H56 Co2 F24 N28 O6 P4 -","1","0.5","","Shin-ichiro Noro; Susumu Kitagawa; Takayoshi Nakamura; Tatsuo Wada","Synthesis and Crystallographic Characterization of Low-Dimensional and Porous Coordination Compounds Capable of Supramolecular Aromatic Interaction Using the 4,4'-Azobis(pyridine) Ligand","Inorganic Chemistry","2005","44","","3960","3971","10.1021/ic048371u","","","0.7107","MoKα","","","0.0798","","","","0.201","","","","","","1.49","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308886","11.663","0.004","17.627","0.006","10.656","0.003","104.96","0.01","89.88","0.01","83.03","0.01","2099.5","1.2","93.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H68 Co2 F24 N28 O6 P4 -","- C70 H56 Co2 F24 N28 O6 P4 -","- C70 H56 Co2 F24 N28 O6 P4 -","1","0.5","","Shin-ichiro Noro; Susumu Kitagawa; Takayoshi Nakamura; Tatsuo Wada","Synthesis and Crystallographic Characterization of Low-Dimensional and Porous Coordination Compounds Capable of Supramolecular Aromatic Interaction Using the 4,4'-Azobis(pyridine) Ligand","Inorganic Chemistry","2005","44","","3960","3971","10.1021/ic048371u","","","0.7107","MoKα","","","0.0719","","","","0.1863","","","","","","1.576","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308887","17.207","0.004","13.523","0.003","27.951","0.006","90","","101.114","0.01","90","","6382","2","293.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 F12 N20 O6 P2 Zn -","- C50 H40 F12 N20 O6 P2 Zn -","- C200 H160 F48 N80 O24 P8 Zn4 -","4","0.5","","Shin-ichiro Noro; Susumu Kitagawa; Takayoshi Nakamura; Tatsuo Wada","Synthesis and Crystallographic Characterization of Low-Dimensional and Porous Coordination Compounds Capable of Supramolecular Aromatic Interaction Using the 4,4'-Azobis(pyridine) Ligand","Inorganic Chemistry","2005","44","","3960","3971","10.1021/ic048371u","","","0.7107","MoKα","","","0.0803","","","","0.2463","","","","","","1.811","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308888","8.281","0.002","13.264","0.001","13.406","0.004","90","","107.51","0.02","90","","1404.3","0.6","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag F6 N4 P -","- C10 H8 Ag F6 N4 P -","- C40 H32 Ag4 F24 N16 P4 -","4","1","","Shin-ichiro Noro; Susumu Kitagawa; Takayoshi Nakamura; Tatsuo Wada","Synthesis and Crystallographic Characterization of Low-Dimensional and Porous Coordination Compounds Capable of Supramolecular Aromatic Interaction Using the 4,4'-Azobis(pyridine) Ligand","Inorganic Chemistry","2005","44","","3960","3971","10.1021/ic048371u","","","0.7107","MoKα","","","0.0693","","","","0.0995","","","","","","1.872","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308889","11.593","0.002","13.641","0.002","22.511","0.002","90","","101.4","0.01","90","","3489.7","0.9","296.2","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C32 H24 Mn N14 S2 -","- C32 H24 Mn N14 S2 -","- C128 H96 Mn4 N56 S8 -","4","1","","Shin-ichiro Noro; Susumu Kitagawa; Takayoshi Nakamura; Tatsuo Wada","Synthesis and Crystallographic Characterization of Low-Dimensional and Porous Coordination Compounds Capable of Supramolecular Aromatic Interaction Using the 4,4'-Azobis(pyridine) Ligand","Inorganic Chemistry","2005","44","","3960","3971","10.1021/ic048371u","","","0.7107","MoKα","","","0.0617","","","","0.0864","","","","","","1.382","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308890","13.6831","0.0006","20.656","0.001","16.3573","0.0008","90","","110.346","0.002","90","","4334.8","0.4","173.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H40 N10 Ni S2 -","- C43 H40 N10 Ni S2 -","- C172 H160 N40 Ni4 S8 -","4","0.5","","Shin-ichiro Noro; Susumu Kitagawa; Takayoshi Nakamura; Tatsuo Wada","Synthesis and Crystallographic Characterization of Low-Dimensional and Porous Coordination Compounds Capable of Supramolecular Aromatic Interaction Using the 4,4'-Azobis(pyridine) Ligand","Inorganic Chemistry","2005","44","","3960","3971","10.1021/ic048371u","","","0.7107","MoKα","","","0.0889","","","","0.1157","","","","","","1.833","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308891","16.597","0.0014","17.9044","0.0015","25.811","0.002","90","","93.517","0.002","90","","7655.5","1.1","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78.5 H43 Cl F24 N6 Ru -","- C78.5 H42 Cl F24 N6 Ru -","- C314 H168 Cl4 F96 N24 Ru4 -","4","1","","Jie-Sheng Huang; Sarana Ka-Yan Leung; Zhong-Yuan Zhou; Nianyong Zhu; Chi-Ming Che","Tuning the Reactivity of Dioxoruthenium(VI) Porphyrins toward an Arylimine by Altering Porphyrin Substituents","Inorganic Chemistry","2005","44","","3780","3788","10.1021/ic0484102","","","0.71073","MoKα","","0.1697","0.0775","","","0.195","0.2264","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308892","12.145","0.002","20.47","0.004","23.446","0.005","90","","102.48","0.03","90","","5691","2","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H44 Cl4 N6 Ru -","- C70 H44 Cl4 N6 Ru -","- C280 H176 Cl16 N24 Ru4 -","4","1","","Jie-Sheng Huang; Sarana Ka-Yan Leung; Zhong-Yuan Zhou; Nianyong Zhu; Chi-Ming Che","Tuning the Reactivity of Dioxoruthenium(VI) Porphyrins toward an Arylimine by Altering Porphyrin Substituents","Inorganic Chemistry","2005","44","","3780","3788","10.1021/ic0484102","","","0.71069","MoKα","","0.0853","0.0514","","","0.1392","0.1627","","","","","","0.975","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308893","12.9343","0.0014","30.942","0.004","11.1807","0.0012","90","","101.492","0.003","90","","4385","0.9","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H39 N5 O Ru -","- C57 H39 N5 O Ru -","- C228 H156 N20 O4 Ru4 -","4","1","","Jie-Sheng Huang; Sarana Ka-Yan Leung; Zhong-Yuan Zhou; Nianyong Zhu; Chi-Ming Che","Tuning the Reactivity of Dioxoruthenium(VI) Porphyrins toward an Arylimine by Altering Porphyrin Substituents","Inorganic Chemistry","2005","44","","3780","3788","10.1021/ic0484102","","","0.71073","MoKα","","0.1804","0.0629","","","0.1221","0.1596","","","","","","1.012","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308894","7.2651","0.0002","7.3012","0.0002","8.3877","0.0003","90.26","0.001","100.323","0.001","113.029","0.0015","401.46","0.02","150","","150","","","","","","","","?","5","P -1","-P 1","2","","","","- C6 H26 N4 O10 S2 -","- C6 H26 N4 O10 S2 -","- C6 H26 N4 O10 S2 -","1","0.5","","Alexander J. Norquist; Michael B. Doran; Dermot O'Hare","The Role of Amine Sulfates in Hydrothermal Uranium Chemistry","Inorganic Chemistry","2005","44","","3837","3843","10.1021/ic0484452","","","0.71073","MoKα","","","0.0307","","","","0.0746","","","","","","0.8999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308895","6.7318","0.0001","9.2975","0.0001","13.1457","0.0003","72.3395","0.0006","89.1401","0.0007","70.0267","0.0012","733.23","0.02","150","","150","","","","","","","","?","6","P -1","-P 1","2","","","","- C3 H19 N2 O14 S2 U -","- C6 H38 N4 O28 S4 U2 -","- C6 H38 N4 O28 S4 U2 -","1","0.5","","Alexander J. Norquist; Michael B. Doran; Dermot O'Hare","The Role of Amine Sulfates in Hydrothermal Uranium Chemistry","Inorganic Chemistry","2005","44","","3837","3843","10.1021/ic0484452","","","0.71073","MoKα","","","0.0198","","","","0.0475","","","","","","0.8566","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308896","9.3771","0.0002","12.9523","0.0003","18.9065","0.0006","90","","90","","90","","2296.29","0.1","150","","150","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","","","- C3 H11 N2 O10 S2 U -","- C6 H22 N4 O20 S4 U2 -","- C24 H88 N16 O80 S16 U8 -","4","0.5","","Alexander J. Norquist; Michael B. Doran; Dermot O'Hare","The Role of Amine Sulfates in Hydrothermal Uranium Chemistry","Inorganic Chemistry","2005","44","","3837","3843","10.1021/ic0484452","","","0.71073","MoKα","","","0.0243","","","","0.06","","","","","","0.8911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308897","7.7638","0.00005","14.1689","0.00005","56.4693","0.00005","90","","90","","90","","6211.88","0.05","150","","150","","","","","","","","?","6","P b n m","-P 2c 2ab","62","","","","- C16 H68 N10 O56 S10 U5 -","- C16 H68 N10 O56 S10 U5 -","- C64 H272 N40 O224 S40 U20 -","4","0.5","","Alexander J. Norquist; Michael B. Doran; Dermot O'Hare","The Role of Amine Sulfates in Hydrothermal Uranium Chemistry","Inorganic Chemistry","2005","44","","3837","3843","10.1021/ic0484452","","","0.71073","MoKα","","","0.0334","","","","0.0848","","","","","","0.8833","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308898","11.4816","0.0019","13.517","0.002","6.9302","0.0011","90","","90","","90","","1075.5","0.3","293","2","293","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C18 H18 B2 Cu F8 N4 -","- C18 H18 B2 Cu F8 N4 -","- C36 H36 B4 Cu2 F16 N8 -","2","0.5","","Jason A. Aligo; Laura Smith; Judith L. Eglin; Laura E. Pence","Solution and Solid-State Variation of Cupric Phenanthroline Complexes","Inorganic Chemistry","2005","44","","4001","4007","10.1021/ic049069o","","","0.71073","MoKα","","0.0761","0.0456","","","0.115","0.1309","","","","","","1.041","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308899","8.4972","0.0016","12.028","0.002","10.182","0.002","90","","95.53","0.004","90","","1035.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C16 H16 B2 Cu F8 N4 O -","- C16 H16 B2 Cu F8 N4 O -","- C32 H32 B4 Cu2 F16 N8 O2 -","2","0.5","","Jason A. Aligo; Laura Smith; Judith L. Eglin; Laura E. Pence","Solution and Solid-State Variation of Cupric Phenanthroline Complexes","Inorganic Chemistry","2005","44","","4001","4007","10.1021/ic049069o","","","0.71073","MoKα","","0.0634","0.0488","","","0.14","0.1509","","","","","","1.093","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308900","11.3592","0.0013","13.2634","0.0015","6.9315","0.0008","90","","90","","90","","1044.3","0.2","293","2","293","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C16 H12 B2 Cl Cu F8 N4 -","- C16 H12 B2 Cl Cu F8 N4 -","- C32 H24 B4 Cl2 Cu2 F16 N8 -","2","0.5","","Jason A. Aligo; Laura Smith; Judith L. Eglin; Laura E. Pence","Solution and Solid-State Variation of Cupric Phenanthroline Complexes","Inorganic Chemistry","2005","44","","4001","4007","10.1021/ic049069o","","","0.71073","MoKα","","0.0744","0.0517","","","0.1419","0.1574","","","","","","0.972","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308901","15.1372","0.001","15.2949","0.001","16.401","0.0011","90","","90","","90","","3797.2","0.4","293","2","293","2","","","","","","","","4","I b c a","-I 2b 2c","73","","","","- Cs2 O8 Si2 U -","- Cs2 O8 Si2 U -","- Cs32 O128 Si32 U16 -","16","1","","Chih-Shan Chen; Ray-Kuang Chiang; Hsien-Ming Kao; Kwang-Hwa Lii","High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structure, and Solid-State NMR Spectroscopy of Cs2(UO2)(Si2O6) and Variable-Temperature Powder X-ray Diffraction Study of the Hydrate Phase Cs2(UO2)(Si2O6).0.5H2O","Inorganic Chemistry","2005","44","","3914","3918","10.1021/ic0500199","","","0.71073","MoKα","","0.0417","0.0355","","","0.081","0.0829","","","","","","1.285","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308902","17.366","0.007","22.2492","0.0015","29.0904","0.0019","90","0.05","102.22","0.04","90","0.05","10985","5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H67 Cl Co2 N12 O24 S8 -","- C84 H67 Cl Co2 N12 O24 S8 -","- C336 H268 Cl4 Co8 N48 O96 S32 -","4","1","","Asiya R. Mustafina; Viktoriya V. Skripacheva; Aidar T. Gubaidullin; Shamil K. Latipov; Asiya V. Toropchina; Vitaly V. Yanilkin; Svetlana E. Solovieva; Igor S. Antipin; Alexander I. Konovalov","Outer-Sphere Association of p-Sulfonatothiacalix[4]arene and Tetrasulfonatomethylated Calix[4]resorcinarene with Cobalt(III) Tris(dipyridyl): The Effect on the Spectral and Electrochemical Properties of the Latter","Inorganic Chemistry","2005","44","","4017","4023","10.1021/ic050038i","","","1.54184","CuKα","","0.2669","0.0795","","","0.1632","0.2353","","","","","","0.943","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308903","25.3477","0.0008","17.1399","0.0008","18.4904","0.0008","90","","107.325","0.001","90","","7668.8","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N0 O7 Tb -","- C21 H12 O7 Tb -","- C168 H96 O56 Tb8 -","8","1","","Xiaodan Guo; Guangshan Zhu; Qianrong Fang; Ming Xue; Ge Tian; Jinyu Sun; Xiaotian Li; Shilun Qiu","Synthesis, Structure and Luminescent Properties of Rare Earth Coordination Polymers Constructed from Paddle-Wheel Building Blocks","Inorganic Chemistry","2005","44","","3850","3855","10.1021/ic0500457","","","0.71073","MoKα","","0.0819","0.0733","","","0.1917","0.1951","","","","","","1.308","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308904","25.2219","0.0014","17.0779","0.0014","18.5141","0.0012","90","","106.887","0.002","90","","7630.8","0.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 Ho N0 O7 -","- C21 H12 Ho N O6 -","- C168 H96 Ho8 N8 O48 -","8","1","","Xiaodan Guo; Guangshan Zhu; Qianrong Fang; Ming Xue; Ge Tian; Jinyu Sun; Xiaotian Li; Shilun Qiu","Synthesis, Structure and Luminescent Properties of Rare Earth Coordination Polymers Constructed from Paddle-Wheel Building Blocks","Inorganic Chemistry","2005","44","","3850","3855","10.1021/ic0500457","","","0.71073","MoKα","","0.1169","0.0613","","","0.1333","0.149","","","","","","0.925","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308905","25.1508","0.0011","17.0903","0.0011","18.5354","0.001","90","","106.673","0.001","90","","7632.2","0.7","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Er N0 O7 -","- C21 H12 Er O7 -","- C168 H96 Er8 O56 -","8","1","","Xiaodan Guo; Guangshan Zhu; Qianrong Fang; Ming Xue; Ge Tian; Jinyu Sun; Xiaotian Li; Shilun Qiu","Synthesis, Structure and Luminescent Properties of Rare Earth Coordination Polymers Constructed from Paddle-Wheel Building Blocks","Inorganic Chemistry","2005","44","","3850","3855","10.1021/ic0500457","","","0.71073","MoKα","","0.0656","0.0599","","","0.1355","0.1382","","","","","","0.966","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308906","25.1904","0.0014","17.1122","0.0014","18.5799","0.0012","90","","106.789","0.002","90","","7667.7","0.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N0 O7 Y -","- C21 O7 Y -","- C168 O56 Y8 -","8","1","","Xiaodan Guo; Guangshan Zhu; Qianrong Fang; Ming Xue; Ge Tian; Jinyu Sun; Xiaotian Li; Shilun Qiu","Synthesis, Structure and Luminescent Properties of Rare Earth Coordination Polymers Constructed from Paddle-Wheel Building Blocks","Inorganic Chemistry","2005","44","","3850","3855","10.1021/ic0500457","","","0.71073","MoKα","","0.1253","0.0745","","","0.1868","0.2048","","","","","","0.96","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308907","29.4581","0.0009","29.3083","0.0011","19.9652","0.0007","90","","90","","90","","17237.3","1","293","2","293","2","","","","","","","","8","P b a n :2","-P 2ab 2b","50","","","","- C60 H97 F9 Mo6 N3 P2 Ru2 S8 -","- C40 H60 F6 Mo4 N2 P Ru1.33333 S5.33333 -","- C480 H720 F72 Mo48 N24 P12 Ru16 S64 -","12","1.5","","Izuru Takei; Keita Dohki; Koji Kobayashi; Toshiaki Suzuki; Masanobu Hidai","Cleavage of Hydrazine N-N Bonds by RuMo3S4 Cubane-Type Clusters","Inorganic Chemistry","2005","44","","3768","3770","10.1021/ic0500560","","","0.7107","MoKα","","0.07","0.0667","","","0.1863","0.189","","","","","","1.115","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308908","11.135","0.0007","23.9955","0.0015","19.7074","0.0013","90","","95.005","0.003","90","","5245.5","0.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H63 F6 Mo3 N P2 Ru S4 -","- C48 H63 F6 Mo3 N P2 Ru S4 -","- C192 H252 F24 Mo12 N4 P8 Ru4 S16 -","4","1","","Izuru Takei; Keita Dohki; Koji Kobayashi; Toshiaki Suzuki; Masanobu Hidai","Cleavage of Hydrazine N-N Bonds by RuMo3S4 Cubane-Type Clusters","Inorganic Chemistry","2005","44","","3768","3770","10.1021/ic0500560","","","0.7107","MoKα","","0.0722","0.0652","","","0.1581","0.1652","","","","","","1.078","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308909","16.8565","0.0006","17.3548","0.0009","24.6059","0.0011","90","","90","","90","","7198.2","0.6","200","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H60 Cl2 Cu4 N18 O26 -","- C64 H48 Cl2 Cu4 N18 O26 -","- C256 H192 Cl8 Cu16 N72 O104 -","4","1","","Katharina Isele; Patrick Franz; Christina Ambrus; Gérald Bernardinelli; Silvio Decurtins; Alan F. Williams","Self-Assembly and Interconversion of Tetranuclear Copper(II) Complexes","Inorganic Chemistry","2005","44","","3896","3906","10.1021/ic0500762","","","0.71073","MoKα","","","0.032","","","","0.032","","","","","","1.24","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308910","15.4291","0.001","16.9541","0.0008","25.2232","0.0009","90","","90","","90","","6598","0.6","200","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H60 Cl4 Cu4 N12 O17 -","- C56 H49 Cl4 Cu4 N12 O17 -","- C224 H196 Cl16 Cu16 N48 O68 -","4","1","","Katharina Isele; Patrick Franz; Christina Ambrus; Gérald Bernardinelli; Silvio Decurtins; Alan F. Williams","Self-Assembly and Interconversion of Tetranuclear Copper(II) Complexes","Inorganic Chemistry","2005","44","","3896","3906","10.1021/ic0500762","","","0.71073","MoKα","","","0.043","","","","0.048","","","","","","1.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308911","17.2589","0.0012","18.34","0.0011","20.7116","0.0012","110.35","0.007","101.109","0.007","111.292","0.007","5331.7","0.9","200","","","","","","","","","","","6","P -1","-P 1","2","","","","- C87 H92 Cl6 Cu4 N20 O39 -","- C87 H60 Cl6 Cu4 N20 O39 -","- C174 H120 Cl12 Cu8 N40 O78 -","2","1","","Katharina Isele; Patrick Franz; Christina Ambrus; Gérald Bernardinelli; Silvio Decurtins; Alan F. Williams","Self-Assembly and Interconversion of Tetranuclear Copper(II) Complexes","Inorganic Chemistry","2005","44","","3896","3906","10.1021/ic0500762","","","0.71073","MoKα","","","0.059","","","","0.058","","","","","","1.239","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308912","9.495","0.003","10.733","0.005","11.065","0.004","87.425","0.005","74.143","0.005","80.076","0.002","1068.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Mn2 N2 O18 -","- C14 H22 Mn2 N2 O18 -","- C28 H44 Mn4 N4 O36 -","2","1","","Sujit K. Ghosh; Joan Ribas; M. Salah El Fallah; Parimal K. Bharadwaj","Mn(II) Staircase Structures Stitched by Water Clusters to a 3D Metal-Organic Open Framework: X-ray Structural and Magnetic Studies","Inorganic Chemistry","2005","44","","3856","3862","10.1021/ic050102w","","","0.71069","MoKα","","0.0464","0.0453","","","0.1046","0.1052","","","","","","1.282","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308913","7.0895","0.0012","9.5172","0.0016","13.843","0.002","90","","100.527","0.003","90","","918.3","0.3","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H14 Cu3 N6 O8 -","- C12 H4 Cu3 N6 O8 -","- C24 H8 Cu6 N12 O16 -","2","0.25","","Xian-Ming Zhang; Rui-Qin Fang","Hydrothermal Syntheses and Structures of Two Mixed-Valence Copper(I,II) 2-Pyrazinecarboxylate Coordination Polymers","Inorganic Chemistry","2005","44","","3955","3959","10.1021/ic050118m","","","0.71073","MoKα","","0.1021","0.0739","","","0.169","0.2038","","","","","","1.205","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308914","13.156","0.003","7.7171","0.0017","26.148","0.006","90","","90","","90","","2654.7","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Hydrothermal Syntheses and Structures of Two Mixed-valence Copper(I,II) 2-Pyrazinecarboxylate Coordination Polymers","","- C10 H8 Br Cu2 N4 O5 -","- C10 H6 Br Cu2 N4 O5 -","- C80 H48 Br8 Cu16 N32 O40 -","8","1","","Xian-Ming Zhang; Rui-Qin Fang","Hydrothermal Syntheses and Structures of Two Mixed-Valence Copper(I,II) 2-Pyrazinecarboxylate Coordination Polymers","Inorganic Chemistry","2005","44","","3955","3959","10.1021/ic050118m","","","0.71073","MoKα","","0.1033","0.056","","","0.1499","0.1712","","","","","","1.111","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308915","4.8707","0.0001","9.1016","0.0002","24.2355","0.0006","90","","91.1059","0.0011","90","","1074.19","0.04","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Cl N O6 S Sr -","- C4 H10 Cl N O6 S Sr -","- C16 H40 Cl4 N4 O24 S4 Sr4 -","4","1","","Yufeng Liu; Jiachun Su; Weihong Li; Jinguang Wu","First Hydrotalcite-like Sulfonate Coordination Network Incorporating Robust Cationic Layers and Flexible Interlayer Interactions","Inorganic Chemistry","2005","44","","3890","3895","10.1021/ic0501418","","","0.71073","MoKα","","0.0624","0.0428","","","0.1107","0.1193","","","","","","1.03","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308916","7.525","0.002","19.728","0.006","11.971","0.004","90","","105.121","0.005","90","","1715.6","0.9","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18.5 Cl2 Cu N6 O1.25 -","- C13 H18.5 Cl2 Cu N6 O1.25 -","- C52 H74 Cl8 Cu4 N24 O5 -","4","1","","Sachindranath Pal; Anil Kumar Barik; Samik Gupta; Arijit Hazra; Susanta Kumar Kar; Shie-Ming Peng; Gene-Hsiang Lee; Ray J. Butcher; M. Salah El Fallah; Joan Ribas","Copper(II) Mediated Anion Dependent Formation of Schiff Base Complexes","Inorganic Chemistry","2005","44","","3880","3889","10.1021/ic0501420","","","0.71073","MoKα","","0.0413","0.0349","","","0.0855","0.0881","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308917","24.686","0.002","17.6204","0.0015","14.8725","0.0013","90","","96.205","0.002","90","","6431.3","0.9","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 Cu2 N11 O5 -","- C21 H26 Cu2 N11 O5 -","- C168 H208 Cu16 N88 O40 -","8","1","","Sachindranath Pal; Anil Kumar Barik; Samik Gupta; Arijit Hazra; Susanta Kumar Kar; Shie-Ming Peng; Gene-Hsiang Lee; Ray J. Butcher; M. Salah El Fallah; Joan Ribas","Copper(II) Mediated Anion Dependent Formation of Schiff Base Complexes","Inorganic Chemistry","2005","44","","3880","3889","10.1021/ic0501420","","","0.71073","MoKα","","0.1473","0.0916","","","0.2566","0.2946","","","","","","1.087","","","","has coordinates,has disorder","179127","2020-10-21","18:00:00",""
"4308918","8.6571","0.0005","10.7433","0.0006","14.0972","0.0008","79.281","0.001","80.511","0.001","76.557","0.001","1242.76","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl2 N6 Ni O11 -","- C16 H25 Cl2 N6 Ni O11 -","- C32 H50 Cl4 N12 Ni2 O22 -","2","1","","Sachindranath Pal; Anil Kumar Barik; Samik Gupta; Arijit Hazra; Susanta Kumar Kar; Shie-Ming Peng; Gene-Hsiang Lee; Ray J. Butcher; M. Salah El Fallah; Joan Ribas","Copper(II) Mediated Anion Dependent Formation of Schiff Base Complexes","Inorganic Chemistry","2005","44","","3880","3889","10.1021/ic0501420","","","0.71073","MoKα","","0.0693","0.0594","","","0.1769","0.1858","","","","","","1.038","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308919","15.978","0.006","4.148","0.002","19.338","0.008","90","","103.34","0.01","90","","1247.1","0.9","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena(N-trans-4-stilbazole-iodide-copper(i))","","- C13 H11 Cu I N -","- C13 H11 Cu I N -","- C52 H44 Cu4 I4 N4 -","4","1","","Elena Cariati; Dominique Roberto; Renato Ugo; Peter C. Ford; Simona Galli; Angelo Sironi","New Structural Motifs, Unusual Quenching of the Emission, and Second Harmonic Generation of Copper(I) Iodide Polymeric or Oligomeric Adducts with Para-Substituted Pyridines or trans-Stilbazoles","Inorganic Chemistry","2005","44","","4077","4085","10.1021/ic050143s","","","0.71073","MoKα","","0.051","0.0245","","","0.0452","0.0481","","","","","","0.823","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308920","7.574","0.004","11.662","0.006","33.97","0.019","90","","90","","90","","3001","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-bis(N-trans-4'-dimethyilamino-4-stilbazole-iodide-copper(i))","","- C30 H32 Cu2 I2 N4 -","- C30 H16 Cu2 I2 N4 -","- C120 H64 Cu8 I8 N16 -","4","1","","Elena Cariati; Dominique Roberto; Renato Ugo; Peter C. Ford; Simona Galli; Angelo Sironi","New Structural Motifs, Unusual Quenching of the Emission, and Second Harmonic Generation of Copper(I) Iodide Polymeric or Oligomeric Adducts with Para-Substituted Pyridines or trans-Stilbazoles","Inorganic Chemistry","2005","44","","4077","4085","10.1021/ic050143s","","","0.71073","MoKα","","0.0859","0.0684","","","0.1482","0.1543","","","","","","1.123","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308921","23.341","0.011","20.409","0.009","19.177","0.009","90","","90","","90","","9135","7","299","2","299","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","tetrakis((4-tertbutyl-pyridine)-iodide-copper(i))","","- C36 H52 Cu4 I4 N4 -","- C36 H34 Cu4 I4 N4 -","- C288 H272 Cu32 I32 N32 -","8","1","","Elena Cariati; Dominique Roberto; Renato Ugo; Peter C. Ford; Simona Galli; Angelo Sironi","New Structural Motifs, Unusual Quenching of the Emission, and Second Harmonic Generation of Copper(I) Iodide Polymeric or Oligomeric Adducts with Para-Substituted Pyridines or trans-Stilbazoles","Inorganic Chemistry","2005","44","","4077","4085","10.1021/ic050143s","","","0.71073","MoKα","","0.0447","0.0413","","","0.1024","0.1051","","","","","","1.116","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308922","14.061","0.006","11.917","0.005","17.848","0.007","90","","105.58","0.01","90","","2881","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexakis(4-dimethylaminopyridine-iodide-copper(i))","","- C21 H30 Cu3 I3 N6 -","- C21 H30 Cu3 I3 N6 -","- C84 H120 Cu12 I12 N24 -","4","1","","Elena Cariati; Dominique Roberto; Renato Ugo; Peter C. Ford; Simona Galli; Angelo Sironi","New Structural Motifs, Unusual Quenching of the Emission, and Second Harmonic Generation of Copper(I) Iodide Polymeric or Oligomeric Adducts with Para-Substituted Pyridines or trans-Stilbazoles","Inorganic Chemistry","2005","44","","4077","4085","10.1021/ic050143s","","","0.71073","MoKα","","0.0859","0.0311","","","0.0526","0.0613","","","","","","0.86","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308923","13.8463","0.0003","16.8164","0.0005","17.9072","0.0006","93.78","0.001","111.143","0.001","97.463","0.001","3827.19","0.19","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H84 Cl3 Co Fe N8 O2 -","- C93 H80 Cl3 Co Fe N8 O2 -","- C186 H160 Cl6 Co2 Fe2 N16 O4 -","2","1","","Roger Guilard; Fabien Burdet; Jean-Michel Barbe; Claude P. Gros; Enrique Espinosa; Jianguo Shao; Zhongping Ou; Riqiang Zhan; Karl M. Kadish","Heterobimetallic Complexes of Cobalt(IV) Porphyrin-Corrole Dyads. Synthesis, Physicochemical Properties, and X-ray Structural Characterization","Inorganic Chemistry","2005","44","","3972","3983","10.1021/ic0501622","","","0.71069","MoKα","","0.1182","0.0812","","","0.2062","0.2273","","","","","","1.048","","","","has coordinates,has disorder","179127","2020-10-21","18:00:00",""
"4308924","7.135","0.009","10.87","0.002","16.271","0.005","99.26","0.02","99.94","0.06","102.1","0.05","1189.7","1.6","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","P,P'-diphenylmethylenediphosphinate copper(II) Bipyridine aquo","","- C23 H22 Cu N2 O5 P2 -","- C23 H22 Cu N2 O5 P2 -","- C46 H44 Cu2 N4 O10 P4 -","2","1","","Samuele Ciattini; Ferdinando Costantino; Pablo Lorenzo-Luis; Stefano Midollini; Annabella Orlandini; Alberto Vacca","Inorganic-Organic Hybrids Formed by P,P'-Diphenylmethylenediphosphinate, pcp2-, with the Cu2+ Ion. X-ray Crystal Structures of [Cu(pcp)(H2O)2].H2O and [Cu(pcp)(bipy)(H2O)]","Inorganic Chemistry","2005","44","","4008","4016","10.1021/ic050171a","","x-ray","0.71069","MoKα","","0.071","0.0414","","","0.0954","0.1063","","","","","","1.023","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308925","19.49","0.008","9.443","0.003","9.434","0.003","90","","110.37","0.03","90","","1627.7","1","293","2","293","2","","","","","","","synthesis as described","5","P 1 2/c 1","-P 2yc","13","","P,P'-diphenylmethylenediphosphinate copper(II) tris-aquo","","- C13 H18 Cu O7 P2 -","- C13 H12 Cu O7 P2 -","- C52 H48 Cu4 O28 P8 -","4","1","","Samuele Ciattini; Ferdinando Costantino; Pablo Lorenzo-Luis; Stefano Midollini; Annabella Orlandini; Alberto Vacca","Inorganic-Organic Hybrids Formed by P,P'-Diphenylmethylenediphosphinate, pcp2-, with the Cu2+ Ion. X-ray Crystal Structures of [Cu(pcp)(H2O)2].H2O and [Cu(pcp)(bipy)(H2O)]","Inorganic Chemistry","2005","44","","4008","4016","10.1021/ic050171a","","x-ray","1.5418","CuKα","","0.0877","0.066","","","0.1562","0.1689","","","","","","0.99","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308926","6.897","0.001","7.479","0.001","12.358","0.003","103.67","0.03","98.45","0.03","102","0.03","592.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H8 Cl3 N4 O Re -","- C7 H8 Cl3 N4 O Re -","- C14 H16 Cl6 N8 O2 Re2 -","2","1","","Marina Porchia; Grazia Papini; Carlo Santini; Giancarlo Gioia Lobbia; Maura Pellei; Francesco Tisato; Giuliano Bandoli; Alessandro Dolmella","Novel Rhenium(V) Oxo Complexes Containing Bis(pyrazol-1-yl)acetate and Bis(pyrazol-1-yl) Sulfonate as Tripodal N,N,O-heteroscorpionate Ligands","Inorganic Chemistry","2005","44","","4045","4054","10.1021/ic050193x","","","0.71073","MoKα","","0.0628","0.0617","","","0.1516","0.1539","","","","","","1.046","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308927","7.956","0.002","11.397","0.002","13.972","0.003","91.7","0.03","95.33","0.03","101.36","0.03","1235.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H7 Cl2 N4 O3 Re -","- C8 H7 Cl2 N4 O3 Re -","- C32 H28 Cl8 N16 O12 Re4 -","4","2","","Marina Porchia; Grazia Papini; Carlo Santini; Giancarlo Gioia Lobbia; Maura Pellei; Francesco Tisato; Giuliano Bandoli; Alessandro Dolmella","Novel Rhenium(V) Oxo Complexes Containing Bis(pyrazol-1-yl)acetate and Bis(pyrazol-1-yl) Sulfonate as Tripodal N,N,O-heteroscorpionate Ligands","Inorganic Chemistry","2005","44","","4045","4054","10.1021/ic050193x","","","0.71073","MoKα","","0.0704","0.061","","","0.1541","0.1636","","","","","","0.983","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308928","7.274","0.001","8.618","0.002","12.82","0.03","89.91","0.03","80.86","0.03","84.4","0.03","789.6","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N4 O5 Re -","- C14 H19 N4 O5 Re -","- C28 H38 N8 O10 Re2 -","2","1","","Marina Porchia; Grazia Papini; Carlo Santini; Giancarlo Gioia Lobbia; Maura Pellei; Francesco Tisato; Giuliano Bandoli; Alessandro Dolmella","Novel Rhenium(V) Oxo Complexes Containing Bis(pyrazol-1-yl)acetate and Bis(pyrazol-1-yl) Sulfonate as Tripodal N,N,O-heteroscorpionate Ligands","Inorganic Chemistry","2005","44","","4045","4054","10.1021/ic050193x","","","0.71073","MoKα","","0.0406","0.039","","","0.0997","0.1006","","","","","","1.143","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308929","7.476","0.0006","7.5128","0.0006","12.9983","0.0011","83.086","0.001","81.893","0.001","62.889","0.001","642.04","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl4 Cu4 N8 S4 -","- C16 H16 Cl4 Cu4 N8 S4 -","- C16 H16 Cl4 Cu4 N8 S4 -","1","0.5","","Dan Li; Wen-Juan Shi; Lei Hou","Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes","Inorganic Chemistry","2005","44","","3907","3913","10.1021/ic050209j","","","0.71073","MoKα","","0.0331","0.0282","","","0.074","0.0893","","","","","","1.148","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308930","7.4238","0.0008","7.5749","0.0008","13.4896","0.0015","83.579","0.002","81.452","0.002","63.055","0.002","667.87","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Br4 Cu4 N8 S4 -","- C16 H16 Br4 Cu4 N8 S4 -","- C16 H16 Br4 Cu4 N8 S4 -","1","0.5","","Dan Li; Wen-Juan Shi; Lei Hou","Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes","Inorganic Chemistry","2005","44","","3907","3913","10.1021/ic050209j","","","0.71073","MoKα","","0.0448","0.0352","","","0.0702","0.0799","","","","","","1.039","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308931","12.8302","0.001","38.855","0.003","9.9562","0.0008","90","","90","","90","","4963.3","0.7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H16 Cu2 I2 N8 S4 -","- C16 H16 Cu2 I2 N8 S4 -","- C128 H128 Cu16 I16 N64 S32 -","8","0.5","","Dan Li; Wen-Juan Shi; Lei Hou","Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes","Inorganic Chemistry","2005","44","","3907","3913","10.1021/ic050209j","","","0.71073","MoKα","","0.027","0.0258","","","0.0527","0.0532","","","","","","1.07","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308932","11.7472","0.0004","11.7472","0.0004","11.7472","0.0004","90","","90","","90","","1621.07","0.1","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Dan Li; Wen-Juan Shi; Lei Hou","Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes","Inorganic Chemistry","2005","44","","3907","3913","10.1021/ic050209j","","","0.71073","MoKα","","0.0237","0.0223","","","0.0568","0.0574","","","","","","1.143","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308933","11.8847","0.0003","11.8847","0.0003","11.8847","0.0003","90","","90","","90","","1678.67","0.07","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C3 H3 Br Cu N3 S3 -","- C3 H3 Br Cu N3 S3 -","- C24 H24 Br8 Cu8 N24 S24 -","8","0.333333","","Dan Li; Wen-Juan Shi; Lei Hou","Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes","Inorganic Chemistry","2005","44","","3907","3913","10.1021/ic050209j","","","0.71073","MoKα","","0.0411","0.0392","","","0.0866","0.0872","","","","","","1.344","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308934","12.0266","0.0004","12.0266","0.0004","12.0266","0.0004","90","","90","","90","","1739.52","0.1","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C3 H3 Cu I N3 S3 -","- C3 H3 Cu I N3 S3 -","- C24 H24 Cu8 I8 N24 S24 -","8","0.333333","","Dan Li; Wen-Juan Shi; Lei Hou","Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes","Inorganic Chemistry","2005","44","","3907","3913","10.1021/ic050209j","","","0.71073","MoKα","","0.0865","0.0836","","","0.188","0.1894","","","","","","1.314","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308935","9.891","0.002","9.955","0.002","11.608","0.002","73.11","0.02","66.83","0.02","77.32","0.02","998.2","0.4","288","","288","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cu N10 O -","- C16 H20 Cu0.5 N10 O -","- C32 H40 Cu N20 O2 -","2","1","","Smaïl Triki; Franck Thétiot; Fanny Vandevelde; Jean Sala-Pala; Carlos J. Gómez-García","New Magnetic Copper(II) Coordination Polymers with the Polynitrile Ligand (C[C(CN)2]3)2- and N-Donor Co-ligands","Inorganic Chemistry","2005","44","","4086","4093","10.1021/ic050235h","","","0.71073","Mo-Kα","","0.138","0.029","","0.072","","0.03","","","1.121","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308936","7.7495","0.0004","9.8432","0.0006","10.9787","0.0008","97.6","0.2","101.2","0.2","90.076","0.005","814","0.7","288","","288","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cu2 N16 O6 -","- C28 H18 Cu2 N16 O6 -","- C28 H18 Cu2 N16 O6 -","1","0.5","","Smaïl Triki; Franck Thétiot; Fanny Vandevelde; Jean Sala-Pala; Carlos J. Gómez-García","New Magnetic Copper(II) Coordination Polymers with the Polynitrile Ligand (C[C(CN)2]3)2- and N-Donor Co-ligands","Inorganic Chemistry","2005","44","","4086","4093","10.1021/ic050235h","","","0.71073","Mo-Kα","","0.07","0.045","","0.103","","0.05","","","1.962","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308937","7.3655","0.0009","13.955","0.002","14.337","0.002","90","0.009","94.72","0.01","90","0.01","1468.6","0.3","288","","288","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu N8 -","- C13 H10 Cu N8 -","- C52 H40 Cu4 N32 -","4","1","","Smaïl Triki; Franck Thétiot; Fanny Vandevelde; Jean Sala-Pala; Carlos J. Gómez-García","New Magnetic Copper(II) Coordination Polymers with the Polynitrile Ligand (C[C(CN)2]3)2- and N-Donor Co-ligands","Inorganic Chemistry","2005","44","","4086","4093","10.1021/ic050235h","","","0.71073","Mo-Kα","","0.084","0.071","","0.091","","0.076","","","1.479","","","1.225","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308938","12.481","0.0004","16.1969","0.0006","17.3766","0.0006","93.082","0.003","94.497","0.003","107.938","0.003","3320.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H35 Cl Mn2 N7 O8 -","- C30 H35 Cl Mn2 N7 O8 -","- C120 H140 Cl4 Mn8 N28 O32 -","4","2","","Tianlu Sheng; Sebastian Dechert; Isabella Hyla-Kryspin; Rainer F. Winter; Franc Meyer","Redox Site Confinement in Highly Unsymmetric Dimanganese Complexes","Inorganic Chemistry","2005","44","","3863","3874","10.1021/ic0503683","","","0.71073","MoKα","","0.0382","0.032","","","0.0745","0.0775","","","","","","1.033","","","","has coordinates,has disorder","179127","2020-10-21","18:00:00",""
"4308939","14.6104","0.0004","9.192","0.0003","17.5677","0.0006","90","","100.204","0.002","90","","2322","0.13","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cl Mn2 N5 O2 -","- C24 H21 Cl Mn2 N5 O2 -","- C96 H84 Cl4 Mn8 N20 O8 -","4","1","","Tianlu Sheng; Sebastian Dechert; Isabella Hyla-Kryspin; Rainer F. Winter; Franc Meyer","Redox Site Confinement in Highly Unsymmetric Dimanganese Complexes","Inorganic Chemistry","2005","44","","3863","3874","10.1021/ic0503683","","","0.71073","MoKα","","0.0272","0.0262","","","0.0666","0.0702","","","","","","1.097","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308940","9.2302","0.0007","12.3696","0.0009","13.0842","0.001","84.862","0.006","72.713","0.006","82.59","0.006","1412.41","0.19","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Br Mn2 N6 O3 -","- C27 H28 Br Mn2 N6 O3 -","- C54 H56 Br2 Mn4 N12 O6 -","2","1","","Tianlu Sheng; Sebastian Dechert; Isabella Hyla-Kryspin; Rainer F. Winter; Franc Meyer","Redox Site Confinement in Highly Unsymmetric Dimanganese Complexes","Inorganic Chemistry","2005","44","","3863","3874","10.1021/ic0503683","","","0.71073","MoKα","","0.0269","0.0248","","","0.0604","0.0614","","","","","","1.046","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308941","9.271","0.0003","11.2919","0.0003","14.483","0.0004","101.782","0.001","91.122","0.001","103.841","0.002","1437.4","0.07","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Cl2 Mn2 N5 O4 -","- C27 H24 Cl1.98 Mn2 N5 O4 -","- C54 H48 Cl3.96 Mn4 N10 O8 -","2","1","","Tianlu Sheng; Sebastian Dechert; Isabella Hyla-Kryspin; Rainer F. Winter; Franc Meyer","Redox Site Confinement in Highly Unsymmetric Dimanganese Complexes","Inorganic Chemistry","2005","44","","3863","3874","10.1021/ic0503683","","","1.54178","CuKα","","0.0704","0.0617","","","0.1817","0.1891","","","","","","1.058","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308942","10.2128","0.0016","13.145","0.002","18.35","0.003","90","","102.151","0.003","90","","2408.2","0.7","273","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Cu N16 Ni -","- C18 H24 Cu N16 Ni -","- C72 H96 Cu4 N64 Ni4 -","4","0.5","","Enrique Colacio; Ikram Ben Maimoun; Francesc Lloret; José Suárez-Varela","[Ni(cyclam)(μ1,3-dca)2Cu(μ1,5-dca)2]: A Genuine 3D Bimetallic Coordination Polymer Containing Both μ1,3- and μ1,5-Bidentate Dicyanamide Bridges and a Ferromagnetic Interaction between Copper(II) and Nickel(II) Ions","Inorganic Chemistry","2005","44","","3771","3773","10.1021/ic050369v","","","0.71073","MoKα","","0.0306","0.0262","","","0.0689","0.0714","","","","","","1.067","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308943","20.2751","0.0003","17.5959","0.0002","21.3441","0.0003","90","","94.136","0.0007","90","","7594.86","0.18","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H58 Cl2 N4 Ni2 O2 -","- C33 H58 Cl2 N4 Ni2 O2 -","- C264 H464 Cl16 N32 Ni16 O16 -","8","2","","Benjamin R. Dible; Matthew S. Sigman; Atta M. Arif","Oxygen-Induced Ligand Dehydrogenation of a Planar Bis-μ-Chloronickel(I) Dimer Featuring an NHC Ligand","Inorganic Chemistry","2005","44","","3774","3776","10.1021/ic050445u","","","0.71073","MoKα","","0.0689","0.0405","","","0.0868","0.0996","","","","","","1.019","","","","has coordinates,has disorder","179127","2020-10-21","18:00:00",""
"4308944","18.2379","0.0003","15.2877","0.0003","18.8278","0.0004","90","","94.4164","0.0007","90","","5233.9","0.17","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Cl2 N4 Ni2 -","- C54 H72 Cl2 N4 Ni2 -","- C216 H288 Cl8 N16 Ni8 -","4","1","","Benjamin R. Dible; Matthew S. Sigman; Atta M. Arif","Oxygen-Induced Ligand Dehydrogenation of a Planar Bis-μ-Chloronickel(I) Dimer Featuring an NHC Ligand","Inorganic Chemistry","2005","44","","3774","3776","10.1021/ic050445u","","","0.71073","MoKα","","0.0934","0.0499","","","0.1123","0.1339","","","","","","1.016","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308945","24.3822","0.0009","12.2535","0.0003","19.711","0.0008","90","","118.969","0.0013","90","","5152.2","0.3","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H76 Cl2 N4 Ni2 -","- C54 H76 Cl2 N4 Ni2 -","- C216 H304 Cl8 N16 Ni8 -","4","0.5","","Benjamin R. Dible; Matthew S. Sigman; Atta M. Arif","Oxygen-Induced Ligand Dehydrogenation of a Planar Bis-μ-Chloronickel(I) Dimer Featuring an NHC Ligand","Inorganic Chemistry","2005","44","","3774","3776","10.1021/ic050445u","","","0.71073","MoKα","","0.085","0.0422","","","0.0787","0.0934","","","","","","1.03","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308946","13.8111","0.0003","12.0972","0.0003","16.1129","0.0005","90","","96.1062","0.0008","90","","2676.8","0.12","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Cl2 N4 Ni2 O2 -","- C54 H72 Cl2 N4 Ni2 O2 -","- C108 H144 Cl4 N8 Ni4 O4 -","2","0.5","","Benjamin R. Dible; Matthew S. Sigman; Atta M. Arif","Oxygen-Induced Ligand Dehydrogenation of a Planar Bis-μ-Chloronickel(I) Dimer Featuring an NHC Ligand","Inorganic Chemistry","2005","44","","3774","3776","10.1021/ic050445u","","","0.71073","MoKα","","0.0635","0.0402","","","0.0861","0.0949","","","","","","1.042","","","","has coordinates,has disorder","179127","2020-10-21","18:00:00",""
"4308947","7.066","0.01","13.1","0.02","35.65","0.09","90.26","0.16","90","","90","","3300","11","293","2","293","2","","","","","","","","5","I 2/b 1 1","-I 2xb","15","(4,5-dibromo-4',5'-ethylenedithiotetrathiafulvalene)2(tetrabromo iron)","","","- C16 H8 Br8 Fe S12 -","- C16 H8 Br8 Fe S12 -","- C64 H32 Br32 Fe4 S48 -","4","0.5","","Junichi Nishijo; Akira Miyazaki; Toshiaki Enoki; Ryoji Watanabe; Yoshiyuki Kuwatani; Masahiko Iyoda","d-Electron-Induced Negative Magnetoresistance of a π-d Interaction System Based on a Brominated-TTF Donor","Inorganic Chemistry","2005","44","","2493","2506","10.1021/ic048548k","","","0.71069","MoKα","","0.09","0.0579","","","0.1198","0.1321","","","","","","1.053","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308948","12.6921","0.0007","11.5593","0.0007","13.095","0.0008","90","","90","","90","","1921.2","0.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","thorium vanadyl telurate","","","- H4 O12 Te Th V2 -","- O12 Te Th V2 -","- O96 Te8 Th8 V16 -","8","1","","Tyler A. Sullens; Thomas E. Albrecht-Schmitt","Structure and Properties of the Thorium Vanadyl Tellurate, Th(VO2)2(TeO6)(H2O)2","Inorganic Chemistry","2005","44","","2282","2286","10.1021/ic048256j","","","0.71073","MoKα","","0.0267","0.025","","","0.0614","0.0622","","","","","","1.084","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308949","12.5956","0.0003","10.0448","0.0002","17.7985","0.0003","90","","110.489","0.001","90","","2109.42","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jbm31: ad5","","","- C25 H19 Cl N P Pt -","- C25 H19 Cl N P Pt -","- C100 H76 Cl4 N4 P4 Pt4 -","4","1","","Alvaro Díez; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Synthesis, Structural Characterization, and Photophysical Properties of Palladium and Platinum(II) Complexes Containing 7,8-Benzoquinolinate and Various Phosphine Ligands","Inorganic Chemistry","2005","44","","2443","2453","10.1021/ic048272g","","","0.71073","MoKα","","0.0494","0.0296","","","0.0617","0.0669","","","","","","0.893","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308950","15.5499","0.0002","14.5206","0.0002","20.9079","0.0004","90","","110.608","0.001","90","","4418.79","0.12","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","agf11: ad45","","","- C51 H47 Cl N O5 P2 Pt -","- C51 H47 Cl N O5 P2 Pt -","- C204 H188 Cl4 N4 O20 P8 Pt4 -","4","1","","Alvaro Díez; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Synthesis, Structural Characterization, and Photophysical Properties of Palladium and Platinum(II) Complexes Containing 7,8-Benzoquinolinate and Various Phosphine Ligands","Inorganic Chemistry","2005","44","","2443","2453","10.1021/ic048272g","","","0.71073","MoKα","","0.1027","0.0499","","","0.0863","0.0994","","","","","","1.001","","","","has coordinates,has disorder","179127","2020-10-21","18:00:00",""
"4308951","8.7368","0.0002","13.2354","0.0003","16.5095","0.0005","72.134","0.001","84.296","0.001","75.827","0.001","1761.1","0.08","173","1","173","1","","","","","","","","6","P -1","-P 1","2","agf20: ad13-2","","","- C44 H34 N O P Pt -","- C44 H34 N O P Pt -","- C88 H68 N2 O2 P2 Pt2 -","2","1","","Alvaro Díez; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Synthesis, Structural Characterization, and Photophysical Properties of Palladium and Platinum(II) Complexes Containing 7,8-Benzoquinolinate and Various Phosphine Ligands","Inorganic Chemistry","2005","44","","2443","2453","10.1021/ic048272g","","","0.71073","MoKα","","0.0467","0.0351","","","0.0754","0.0793","","","","","","1.045","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308952","8.9636","0.0002","10.7454","0.0002","10.8301","0.0003","103.604","0.001","103.98","0.001","100.465","0.001","951.87","0.04","173","1","173","1","","","","","","","","5","P -1","-P 1","2","jbm32: adsp","","","- C50 H36 N2 P2 Pt2 -","- C50 H36 N2 P2 Pt2 -","- C50 H36 N2 P2 Pt2 -","1","0.5","","Alvaro Díez; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Synthesis, Structural Characterization, and Photophysical Properties of Palladium and Platinum(II) Complexes Containing 7,8-Benzoquinolinate and Various Phosphine Ligands","Inorganic Chemistry","2005","44","","2443","2453","10.1021/ic048272g","","","0.71073","MoKα","","0.0228","0.0207","","","0.0471","0.048","","","","","","1.04","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308953","24.618","0.003","11.4787","0.0011","15.5902","0.0015","90","","112.422","0.004","90","","4072.5","0.8","90","2","90","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C66 H58 Br2 F6 N10 Na O18 P Re2 -","- C66 H58 Br2 F6 N10 Na O18 P Re2 -","- C132 H116 Br4 F12 N20 Na2 O36 P2 Re4 -","2","0.5","","Lihui Wei; John Babich; William C. Eckelman; Jon Zubieta","Rhenium Tricarbonyl Core Complexes of Thymidine and Uridine Derivatives","Inorganic Chemistry","2005","44","","2198","2209","10.1021/ic048301n","","","0.71073","MoKα","","0.0641","0.0579","","","0.1369","0.1388","","","","","","1.053","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4308954","13.9504","0.0002","12.3418","0.0002","21.092","0.0002","90","","94.1647","0.001","90","","3621.88","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H84 Cd4 Cl8 O34 P8 -","- C32 H84 Cd4 Cl8 O34 P8 -","- C64 H168 Cd8 Cl16 O68 P16 -","2","0.5","","Mervi Kontturi; Elina Laurila; Riikka Mattsson; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structures of Bisphosphonate Metal Complexes: Zinc and Cadmium Complexes of Clodronate and Its Partial Ester Derivatives","Inorganic Chemistry","2005","44","","2400","2406","10.1021/ic048329z","","","0.71073","MoKα","","0.0284","0.0239","","","0.0581","0.0602","","","","","","1.072","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308955","7.8054","0.0001","14.1138","0.0002","11.2885","0.0002","90","","90","","90","","1243.58","0.03","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Zinc clodronate","","","- C H11 Cl2 Na O11 P2 Zn -","- C H11 Cl2 Na O11 P2 Zn -","- C4 H44 Cl8 Na4 O44 P8 Zn4 -","4","0.5","","Mervi Kontturi; Elina Laurila; Riikka Mattsson; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structures of Bisphosphonate Metal Complexes: Zinc and Cadmium Complexes of Clodronate and Its Partial Ester Derivatives","Inorganic Chemistry","2005","44","","2400","2406","10.1021/ic048329z","","","0.71073","MoKα","","0.0466","0.0435","","","0.0939","0.0951","","","","","","1.194","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308956","5.6551","0.0002","9.529","0.0002","12.3693","0.0004","78.056","0.002","82.53","0.002","74.997","0.002","627.83","0.03","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Cadmium clodronate","","","- C H10 Cd2 Cl2 O11 P2 -","- C H10 Cd2 Cl2 O11 P2 -","- C2 H20 Cd4 Cl4 O22 P4 -","2","1","","Mervi Kontturi; Elina Laurila; Riikka Mattsson; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structures of Bisphosphonate Metal Complexes: Zinc and Cadmium Complexes of Clodronate and Its Partial Ester Derivatives","Inorganic Chemistry","2005","44","","2400","2406","10.1021/ic048329z","","","0.71073","MoKα","","0.0358","0.0324","","","0.0835","0.0859","","","","","","1.077","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308957","7.0256","0.0002","9.5328","0.0003","14.3501","0.0003","75.735","0.001","83.738","0.002","71.109","0.002","880.82","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H22 Cl2 O10 P2 Zn -","- C7 H22 Cl2 O10 P2 Zn -","- C14 H44 Cl4 O20 P4 Zn2 -","2","1","","Mervi Kontturi; Elina Laurila; Riikka Mattsson; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structures of Bisphosphonate Metal Complexes: Zinc and Cadmium Complexes of Clodronate and Its Partial Ester Derivatives","Inorganic Chemistry","2005","44","","2400","2406","10.1021/ic048329z","","","0.71073","MoKα","","0.0449","0.0357","","","0.0837","0.0892","","","","","","1.047","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308958","7.4962","0.0002","9.0364","0.0002","10.4783","0.0004","72.567","0.001","72.557","0.001","68.814","0.002","616.61","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Co2 N16 O4 -","- C20 H16 Co2 N16 O4 -","- C20 H16 Co2 N16 O4 -","1","0.5","","Hao-Ling Sun; Zhe-Ming Wang; Song Gao","Synthesis, Crystal Structures, and Magnetism of Cobalt Coordination Polymers Based on Dicyanamide and Pyrazine-dioxide Derivatives","Inorganic Chemistry","2005","44","","2169","2176","10.1021/ic048342j","","","0.71073","MoKα","","0.0675","0.0345","","","0.073","0.082","","","","","","1.03","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308959","29.4769","0.001","7.3735","0.0002","17.4631","0.0007","90","","93.652","0.001","90","","3787.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Co3 N22 O8 -","- C26 H28 Co3 N22 O8 -","- C104 H112 Co12 N88 O32 -","4","0.5","","Hao-Ling Sun; Zhe-Ming Wang; Song Gao","Synthesis, Crystal Structures, and Magnetism of Cobalt Coordination Polymers Based on Dicyanamide and Pyrazine-dioxide Derivatives","Inorganic Chemistry","2005","44","","2169","2176","10.1021/ic048342j","","","0.71073","MoKα","","0.1085","0.0532","","","0.1061","0.1221","","","","","","1.02","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308960","9.4739","0.0003","11.3876","0.0003","12.1778","0.0003","90","","98.967","0.001","90","","1297.74","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Co N10 O6 -","- C20 H28 Co N10 O6 -","- C40 H56 Co2 N20 O12 -","2","0.5","","Hao-Ling Sun; Zhe-Ming Wang; Song Gao","Synthesis, Crystal Structures, and Magnetism of Cobalt Coordination Polymers Based on Dicyanamide and Pyrazine-dioxide Derivatives","Inorganic Chemistry","2005","44","","2169","2176","10.1021/ic048342j","","","0.71073","MoKα","","0.0785","0.0481","","","0.1266","0.141","","","","","","1.023","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308961","9.4951","0.0002","15.2612","0.0003","20.5254","0.0005","105.963","0.001","100.546","0.001","95.513","0.001","2777.34","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H60 Cl4 Cu2 N10 O10 -","- C50 H60 Cl4 Cu2 N10 O10 -","- C100 H120 Cl8 Cu4 N20 O20 -","2","1","","Jonathan L. Sessler; Elisa Tomat; Tarak D. Mody; Vincent M. Lynch; Jacqueline M. Veauthier; Utkir Mirsaidov; John T. Markert","A Schiff Base Expanded Porphyrin Macrocycle that Acts as a Versatile Binucleating Ligand for Late First-Row Transition Metals","Inorganic Chemistry","2005","44","","2125","2127","10.1021/ic048412m","","","0.71073","MoKα","","0.1555","0.0722","","","0.11","0.1217","","","","","","1.506","","","","has coordinates,has disorder","179127","2020-10-21","18:00:00",""
"4308962","16.394","0.006","17.049","0.004","17.506","0.004","62.24","0.01","88.22","0.02","69.4","0.02","4001","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H77 Cl15 N8 Ni2 O14 -","- C59 H71 Cl9 N8 Ni2 O14 -","- C118 H142 Cl18 N16 Ni4 O28 -","2","1","","Jonathan L. Sessler; Elisa Tomat; Tarak D. Mody; Vincent M. Lynch; Jacqueline M. Veauthier; Utkir Mirsaidov; John T. Markert","A Schiff Base Expanded Porphyrin Macrocycle that Acts as a Versatile Binucleating Ligand for Late First-Row Transition Metals","Inorganic Chemistry","2005","44","","2125","2127","10.1021/ic048412m","","","0.71073","MoKα","","0.196","0.1006","","","0.143","0.1659","","","","","","1.377","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308963","15.1527","0.0003","17.072","0.0003","24.7324","0.0005","90","","90","","90","","6397.9","0.2","153","2","153","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C50 H64 Cl2 Cu2 N10 O13 -","- C48 H54 Cu2 N10 O11 -","- C192 H216 Cu8 N40 O44 -","4","0.5","","Jonathan L. Sessler; Elisa Tomat; Tarak D. Mody; Vincent M. Lynch; Jacqueline M. Veauthier; Utkir Mirsaidov; John T. Markert","A Schiff Base Expanded Porphyrin Macrocycle that Acts as a Versatile Binucleating Ligand for Late First-Row Transition Metals","Inorganic Chemistry","2005","44","","2125","2127","10.1021/ic048412m","","","0.71073","MoKα","","0.1348","0.0798","","","0.1464","0.1509","","","","","","2.203","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308964","13.3368","0.0017","5.6846","0.0007","18.405","0.002","90","","103.636","0.002","90","","1356","0.3","293","0.2","293","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Barium Molybdenum Iodate Hydrate","","- Ba I4 Mo O15 -","- Ba I4 Mo O15 -","- Ba4 I16 Mo4 O60 -","4","1","","Kang Min Ok; P. Shiv Halasyamani","New d0 Transition Metal Iodates: Synthesis, Structure, and Characterization of BaTi(IO3)6, LaTiO(IO3)5, Ba2VO2(IO3)4.(IO3), K2MoO2(IO3)4, and BaMoO2(IO3)4.H2O","Inorganic Chemistry","2005","44","","2263","2271","10.1021/ic048428c","","","0.71073","MoKα","","0.0318","0.0274","","","0.0616","0.063","","","","","","1.175","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308965","11.4711","0.001","11.4711","0.001","11.1465","0.0017","90","","90","","120","","1270.2","0.2","293","0.2","293","0.2","","","","","","","","4","R -3 :H","-R 3","148","","Barium Titanium Iodate","","- Ba I6 O18 Ti -","- Ba I6 O18 Ti -","- Ba3 I18 O54 Ti3 -","3","0.166667","","Kang Min Ok; P. Shiv Halasyamani","New d0 Transition Metal Iodates: Synthesis, Structure, and Characterization of BaTi(IO3)6, LaTiO(IO3)5, Ba2VO2(IO3)4.(IO3), K2MoO2(IO3)4, and BaMoO2(IO3)4.H2O","Inorganic Chemistry","2005","44","","2263","2271","10.1021/ic048428c","","","0.71073","MoKα","","0.023","0.0221","","","0.058","0.0583","","","","","","1.171","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308966","7.4798","0.001","18.065","0.002","10.4843","0.0014","90","","91.742","0.002","90","","1416","0.3","293","0.2","293","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Lathanum Titanium Iodate","","- I5 La O16 Ti -","- I5 La O16 Ti -","- I20 La4 O64 Ti4 -","4","1","","Kang Min Ok; P. Shiv Halasyamani","New d0 Transition Metal Iodates: Synthesis, Structure, and Characterization of BaTi(IO3)6, LaTiO(IO3)5, Ba2VO2(IO3)4.(IO3), K2MoO2(IO3)4, and BaMoO2(IO3)4.H2O","Inorganic Chemistry","2005","44","","2263","2271","10.1021/ic048428c","","","0.71073","MoKα","","0.0309","0.0286","","","0.0758","0.0768","","","","","","1.186","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308967","7.5012","0.0009","33.032","0.004","7.215","0.0009","90","","116.612","0.002","90","","1598.3","0.3","293","0.2","293","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Barium Vanadium Iodate","","- Ba2 I5 O17 V -","- Ba2 I5 O17 V -","- Ba8 I20 O68 V4 -","4","1","","Kang Min Ok; P. Shiv Halasyamani","New d0 Transition Metal Iodates: Synthesis, Structure, and Characterization of BaTi(IO3)6, LaTiO(IO3)5, Ba2VO2(IO3)4.(IO3), K2MoO2(IO3)4, and BaMoO2(IO3)4.H2O","Inorganic Chemistry","2005","44","","2263","2271","10.1021/ic048428c","","","0.71073","MoKα","","0.049","0.0369","","","0.0848","0.0899","","","","","","1.033","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308968","12.959","0.002","6.0793","0.0009","17.748","0.003","90","","102.41","0.004","90","","1365.5","0.4","293","0.2","293","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Potassium Molybdenum Iodate","","- I4 K2 Mo O14 -","- I4 K2 Mo O14 -","- I16 K8 Mo4 O56 -","4","0.5","","Kang Min Ok; P. Shiv Halasyamani","New d0 Transition Metal Iodates: Synthesis, Structure, and Characterization of BaTi(IO3)6, LaTiO(IO3)5, Ba2VO2(IO3)4.(IO3), K2MoO2(IO3)4, and BaMoO2(IO3)4.H2O","Inorganic Chemistry","2005","44","","2263","2271","10.1021/ic048428c","","","0.71073","MoKα","","0.0279","0.0269","","","0.0674","0.0678","","","","","","1.253","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308969","15.344","0.003","21.235","0.004","19.134","0.004","90","","101.82","0.03","90","","6102","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138 H144 Ni3 O18 P6 -","- C138.008 H144 Ni3 O18 P6 -","- C276.016 H288 Ni6 O36 P12 -","2","0.5","","Joachim Heinicke; Normen Peulecke; Konstantin Karaghiosoff; Peter Mayer","2-Phosphinophenolate Complexes: Formation and Crystal Structure of a Novel Trinuclear μ-O Nickel(II)-Tris(PO-Chelate)","Inorganic Chemistry","2005","44","","2137","2139","10.1021/ic0484304","","","0.71073","MoKα","","0.1391","0.0705","","","0.18","0.2145","","","","","","1.04","","","","has coordinates,has disorder","179127","2020-10-21","18:00:00",""
"4308970","12.505","0.004","8.072","0.002","15.225","0.004","90","","100.691","0.004","90","","1510.1","0.7","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cd2 Cl8 N4 S2 -","- C20 H22 Cd2 Cl8 N4 S2 -","- C40 H44 Cd4 Cl16 N8 S4 -","2","0.5","","David B. Cordes; Andrew S. Bailey; Paula L. Caradoc-Davies; Duncan H. Gregory; Lyall R. Hanton; Kitty Lee; Mark D. Spicer","Flexible Ligands and Structural Diversity: Isomerism in Cd(NO3)2 Coordination Polymers","Inorganic Chemistry","2005","44","","2544","2552","10.1021/ic048473k","","","0.71073","MoKα","","0.027","0.025","","","0.0666","0.0678","","","","","","1.078","","","","has coordinates,has disorder","179127","2020-10-21","18:00:00",""
"4308971","9.7818","0.0002","12.0119","0.0002","12.6382","0.0004","102.076","0.001","91.909","0.001","112.308","0.001","1332.95","0.06","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","Cd(L1)(NO3)2","","","- C21 H22 Cd Cl2 N4 O6 S2 -","- C21 H20 Cd Cl2 N4 O6 S2 -","- C42 H40 Cd2 Cl4 N8 O12 S4 -","2","1","","David B. Cordes; Andrew S. Bailey; Paula L. Caradoc-Davies; Duncan H. Gregory; Lyall R. Hanton; Kitty Lee; Mark D. Spicer","Flexible Ligands and Structural Diversity: Isomerism in Cd(NO3)2 Coordination Polymers","Inorganic Chemistry","2005","44","","2544","2552","10.1021/ic048473k","","x-ray","0.71073","MoKα","","0.0618","0.0384","","","0.0826","0.0913","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308972","12.463","0.005","12.611","0.005","12.999","0.005","82.141","0.005","89.839","0.005","89.758","0.005","2023.9","1.4","168","2","168","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cd1.5 N8 O9 S3 -","- C34 H36 Cd1.5 N8 O9 S3 -","- C68 H72 Cd3 N16 O18 S6 -","2","1","","David B. Cordes; Andrew S. Bailey; Paula L. Caradoc-Davies; Duncan H. Gregory; Lyall R. Hanton; Kitty Lee; Mark D. Spicer","Flexible Ligands and Structural Diversity: Isomerism in Cd(NO3)2 Coordination Polymers","Inorganic Chemistry","2005","44","","2544","2552","10.1021/ic048473k","","","0.71069","MoKα","","0.1031","0.0949","","","0.254","0.2666","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308973","8.739","0.003","9.603","0.003","10.239","0.003","73.759","0.004","79.778","0.004","77.533","0.004","799.2","0.4","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cd2 N10 O12 S2 -","- C22 H24 Cd2 N10 O12 S2 -","- C22 H24 Cd2 N10 O12 S2 -","1","0.5","","David B. Cordes; Andrew S. Bailey; Paula L. Caradoc-Davies; Duncan H. Gregory; Lyall R. Hanton; Kitty Lee; Mark D. Spicer","Flexible Ligands and Structural Diversity: Isomerism in Cd(NO3)2 Coordination Polymers","Inorganic Chemistry","2005","44","","2544","2552","10.1021/ic048473k","","","0.71073","MoKα","","0.0192","0.0185","","","0.0511","0.0516","","","","","","1.104","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308974","12.6517","0.0015","4.2683","0.0005","13.5643","0.0014","90","","90","","90","","732.49","0.14","140","2","140","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu3 In P3 -","- Eu3 In P3 -","- Eu12 In4 P12 -","4","0.5","","Jiong Jiang; Amy C. Payne; Marilyn M. Olmstead; Han-oh Lee; Peter Klavins; Zachary Fisk; Susan M. Kauzlarich; Raphaël P. Hermann; Fernande Grandjean; Gary J. Long","Complex Magnetic Ordering in Eu3InP3: A New Rare Earth Metal Zintl Compound","Inorganic Chemistry","2005","44","","2189","2197","10.1021/ic048507o","","","0.71073","MoKα","","0.0404","0.037","","","0.0946","0.0971","","","","","","1.051","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4308975","4.78188","0.00003","7.03692","0.00004","8.35736","0.00005","66.6786","0.0004","76.9932","0.0004","72.0642","0.0004","243.978","0.003","291","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu3 H2 O14 P4 -","- Cu3 O14 P4 -","- Cu3 O14 P4 -","1","0.5","","Radu Baies; Vincent Caignaert; Valerie Pralong; Bernard Raveau","Copper Hydroxydiphosphate with a One-Dimensional Arrangement of Copper Polyhedra: Cu3[P2O6OH]2","Inorganic Chemistry","2005","44","","2376","2380","10.1021/ic0485209","powder diffraction","","","X-ray","","","","","","","","","7.1552","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308976","9.5949","0.0013","10.7216","0.0014","13.339","0.002","90","","100.57","0.017","90","","1348.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-Bis(4-(isopropylimino)pent-2-en-2-olato(1-))- tetra(thiocyanato-N)silicon(IV)","trans-Bis[4-(isopropylimino)pent-2-en-2-olato(1-)]- tetra(thiocyanato-N)silicon(IV)","","- C20 H30 N6 O2 S4 Si -","- C20 H30 N6 O2 S4 Si -","- C40 H60 N12 O4 S8 Si2 -","2","0.5","","Oliver Seiler; Christian Burschka; Markus Fischer; Martin Penka; Reinhold Tacke","Synthesis and Structural Characterization of Novel Neutral Hexacoordinate Silicon(IV) Complexes with SiO2N4 Skeletons Containing Cyanato-N or Thiocyanato-N Ligands","Inorganic Chemistry","2005","44","","2337","2346","10.1021/ic0485211","","","0.71073","MoKα","","0.0472","0.0304","","","0.0656","0.0701","","","","","","0.916","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308977","17.273","0.003","9.905","0.0011","15.552","0.002","90","","116.242","0.017","90","","2386.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(OC-6-12)-Bis(4-benzylimino)pent-2-en-2-olato(1-)- N,O)di(cyanato-N)silicon(IV)","(OC-6-12)-Bis[4-benzylimino)pent-2-en-2-olato(1-)-N,O]di(cyanato-N)silicon(IV)","","- C26 H28 N4 O4 Si -","- C26 H28 N4 O4 Si -","- C104 H112 N16 O16 Si4 -","4","1","","Oliver Seiler; Christian Burschka; Markus Fischer; Martin Penka; Reinhold Tacke","Synthesis and Structural Characterization of Novel Neutral Hexacoordinate Silicon(IV) Complexes with SiO2N4 Skeletons Containing Cyanato-N or Thiocyanato-N Ligands","Inorganic Chemistry","2005","44","","2337","2346","10.1021/ic0485211","","","0.71073","MoKα","","0.0469","0.0344","","","0.0897","0.0947","","","","","","1.05","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308978","7.8647","0.0011","8.9206","0.0013","9.0668","0.0013","80.584","0.017","89.652","0.017","64.888","0.016","566.79","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(OC-6-12)-Di(cyanato-N)bis(4-(phenylimino)pent-2-en-2-olato(1- )-N,O)silicon(IV)","(OC-6-12)-Di(cyanato-N)bis[4-(phenylimino)pent-2-en-2-olato(1-)-N,O]silicon(IV)","","- C24 H24 N4 O4 Si -","- C24 H24 N4 O4 Si -","- C24 H24 N4 O4 Si -","1","0.5","","Oliver Seiler; Christian Burschka; Markus Fischer; Martin Penka; Reinhold Tacke","Synthesis and Structural Characterization of Novel Neutral Hexacoordinate Silicon(IV) Complexes with SiO2N4 Skeletons Containing Cyanato-N or Thiocyanato-N Ligands","Inorganic Chemistry","2005","44","","2337","2346","10.1021/ic0485211","","","0.71073","MoKα","","0.0384","0.0343","","","0.0921","0.0943","","","","","","1.057","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308979","17.299","0.002","11.8942","0.0016","12.1345","0.0016","90","","104.082","0.014","90","","2421.7","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(OC-6-12)-Bis(4-(phenylimino)pent-2-en-2-olato(1-)-N,O)- di(thiocyanato-N)silicon(IV)","(OC-6-12)-Bis[4-(phenylimino)pent-2-en-2-olato(1-)-N,O]- di(thiocyanato-N)silicon(IV)","","- C24 H24 N4 O2 S2 Si -","- C24 H24 N4 O2 S2 Si -","- C96 H96 N16 O8 S8 Si4 -","4","0.5","","Oliver Seiler; Christian Burschka; Markus Fischer; Martin Penka; Reinhold Tacke","Synthesis and Structural Characterization of Novel Neutral Hexacoordinate Silicon(IV) Complexes with SiO2N4 Skeletons Containing Cyanato-N or Thiocyanato-N Ligands","Inorganic Chemistry","2005","44","","2337","2346","10.1021/ic0485211","","","0.71073","MoKα","","0.0405","0.0355","","","0.0965","0.0996","","","","","","1.048","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308980","7.0217","0.0009","8.6194","0.0011","9.3688","0.0013","76.053","0.015","84.672","0.015","82.245","0.014","544.2","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(OC-6-12)-Bis(4-(isopropylimino)pent-2-en-2-olato(1-)-N,O)- di(thiocyanato-N)silicon(IV)","(OC-6-12)-Bis[4-(isopropylimino)pent-2-en-2-olato(1-)-N,O]- di(thiocyanato-N)silicon(IV)","","- C18 H28 N4 O2 S2 Si -","- C18 H28 N4 O2 S2 Si -","- C18 H28 N4 O2 S2 Si -","1","0.5","","Oliver Seiler; Christian Burschka; Markus Fischer; Martin Penka; Reinhold Tacke","Synthesis and Structural Characterization of Novel Neutral Hexacoordinate Silicon(IV) Complexes with SiO2N4 Skeletons Containing Cyanato-N or Thiocyanato-N Ligands","Inorganic Chemistry","2005","44","","2337","2346","10.1021/ic0485211","","","0.71073","MoKα","","0.0344","0.0312","","","0.086","0.0877","","","","","","1.064","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308981","13.554","0.003","8.711","0.0017","8.7748","0.0018","90","","121.99","0.03","90","","878.7","0.4","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","(OC-6-2'2)-(4,4'-(Ethane-1,2-diyldinitrilo)bis(pent-2-en-2- olato(1-)-N,N',O,O')-di(thiocyanato-N)silicon(IV)","(OC-6-2'2)-{4,4'-(Ethane-1,2-diyldinitrilo)bis[pent-2-en-2-olato(1-)- N,N',O,O']-di(thiocyanato-N)silicon(IV)","","- C14 H18 N4 O2 S2 Si -","- C14 H18 N4 O2 S2 Si -","- C28 H36 N8 O4 S4 Si2 -","2","0.5","","Oliver Seiler; Christian Burschka; Markus Fischer; Martin Penka; Reinhold Tacke","Synthesis and Structural Characterization of Novel Neutral Hexacoordinate Silicon(IV) Complexes with SiO2N4 Skeletons Containing Cyanato-N or Thiocyanato-N Ligands","Inorganic Chemistry","2005","44","","2337","2346","10.1021/ic0485211","","","0.71073","MoKα","","0.05","0.0426","","","0.0944","0.0981","","","","","","1.075","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308982","13.2206","0.0002","13.3555","0.0002","15.5049","0.0001","72.902","0.001","81.86","0.001","86.835","0.001","2590.04","0.06","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H94 Cl2 Mn4 N34 O10 -","- C106 H94 Cl2 Mn4 N34 O10.04 -","- C106 H94 Cl2 Mn4 N34 O10.04 -","1","0.5","","Tapan K. Karmakar; Barindra K. Ghosh; A. Usman; Hoong-Kun Fun; Eric Rivière; Talal Mallah; Guillem Aromí; Swapan K. Chandra","Magneto-Structural Correlations: Synthesis of a Family of End-On Azido-Bridged Manganese(II) Dinuclear Compounds with S= 5 Spin Ground State","Inorganic Chemistry","2005","44","","2391","2399","10.1021/ic048542v","","","0.71073","MoKα","","0.0962","0.0686","","","0.184","0.2012","","","","","","0.963","","","","has coordinates,has disorder","179127","2020-10-21","18:00:00",""
"4308983","21.616","0.003","17.6242","0.0017","14.2932","0.0018","90","","90.636","0.01","90","","5444.9","1.1","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H48 Cl2 Mn2 N14 O8 -","- C54 H48 Cl2 Mn2 N14 O8.02 -","- C216 H192 Cl8 Mn8 N56 O32.08 -","4","0.5","","Tapan K. Karmakar; Barindra K. Ghosh; A. Usman; Hoong-Kun Fun; Eric Rivière; Talal Mallah; Guillem Aromí; Swapan K. Chandra","Magneto-Structural Correlations: Synthesis of a Family of End-On Azido-Bridged Manganese(II) Dinuclear Compounds with S= 5 Spin Ground State","Inorganic Chemistry","2005","44","","2391","2399","10.1021/ic048542v","","","0.71073","MoKα","","0.0886","0.0638","","","0.1589","0.1702","","","","","","0.944","","","","has coordinates,has disorder","179127","2020-10-21","18:00:00",""
"4308984","22.2818","0.0014","17.6712","0.0011","14.3505","0.0009","90","","91.933","0.001","90","","5647.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 Cl2 Mn2 N14 O8 -","- C56 H52 Cl2 Mn2 N14 O8 -","- C224 H208 Cl8 Mn8 N56 O32 -","4","0.5","","Tapan K. Karmakar; Barindra K. Ghosh; A. Usman; Hoong-Kun Fun; Eric Rivière; Talal Mallah; Guillem Aromí; Swapan K. Chandra","Magneto-Structural Correlations: Synthesis of a Family of End-On Azido-Bridged Manganese(II) Dinuclear Compounds with S= 5 Spin Ground State","Inorganic Chemistry","2005","44","","2391","2399","10.1021/ic048542v","","","0.71073","MoKα","","0.1194","0.083","","","0.1594","0.1734","","","","","","1.103","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308985","7.08","0.012","13.132","0.003","35.627","0.009","90.6","0.02","90","","90","","3312","6","293","2","293","2","","","","","","","","5","I 2/b 1 1","-I 2xb","15","(4,5-dibromo-4',5'-ethylenedithiotetrathiafulvalene)2(tetrabromo gallium)","","","- C16 H8 Br8 Ga S12 -","- C16 H8 Br8 Ga S12 -","- C64 H32 Br32 Ga4 S48 -","4","0.5","","Junichi Nishijo; Akira Miyazaki; Toshiaki Enoki; Ryoji Watanabe; Yoshiyuki Kuwatani; Masahiko Iyoda","d-Electron-Induced Negative Magnetoresistance of a π-d Interaction System Based on a Brominated-TTF Donor","Inorganic Chemistry","2005","44","","2493","2506","10.1021/ic048548k","","","0.71069","MoKα","","0.095","0.0935","","","0.2569","0.2582","","","","","","1.218","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308986","6.6141","0.0009","5.8404","0.0011","6.662","0.0015","90","","99.22","0.02","90","","254.02","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 O4 Tl2 -","- C2 O4 Tl2 -","- C4 O8 Tl4 -","2","0.5","","Péter Nagy; Andreas Fischer; Julius Glaser; Andrey Ilyukhin; Mikhail Maliarik; Imre Tóth","Solubility, Complex Formation, and Redox Reactions in the Tl2O3-HCN/CN‒H2O System. Crystal Structures of the Cyano Compounds Tl(CN)3.H2O, Na[Tl(CN)4].3H2O, K[Tl(CN)4], and TlI[TlIII(CN)4] and of TlI2C2O4","Inorganic Chemistry","2005","44","","2347","2357","10.1021/ic0485918","","","0.71073","MoKα","","0.0553","0.0511","","","0.117","0.1173","","","","","","1.023","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308987","10.5729","0.0007","8.0012","0.0007","17.765","0.001","90","","90","","90","","1502.85","0.19","200","","","","","","","","","","Local laboratory","4","C m c a","-C 2ac 2","64","","","","- C3 N3 O Tl -","- C3 N3 O Tl -","- C24 N24 O8 Tl8 -","8","","","Péter Nagy; Andreas Fischer; Julius Glaser; Andrey Ilyukhin; Mikhail Maliarik; Imre Tóth","Solubility, Complex Formation, and Redox Reactions in the Tl2O3-HCN/CN‒H2O System. Crystal Structures of the Cyano Compounds Tl(CN)3.H2O, Na[Tl(CN)4].3H2O, K[Tl(CN)4], and TlI[TlIII(CN)4] and of TlI2C2O4","Inorganic Chemistry","2005","44","","2347","2357","10.1021/ic0485918","","","0.71073","MoKα","","0.0352","0.021","","","0.0318","0.0343","","","","","","1.043","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308988","7.547","0.0009","7.547","0.0009","14.987","0.002","90","","90","","90","","853.62","0.18","295","2","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C4 K N4 Tl -","- C4 K N4 Tl -","- C16 K4 N16 Tl4 -","4","0.25","","Péter Nagy; Andreas Fischer; Julius Glaser; Andrey Ilyukhin; Mikhail Maliarik; Imre Tóth","Solubility, Complex Formation, and Redox Reactions in the Tl2O3-HCN/CN‒H2O System. Crystal Structures of the Cyano Compounds Tl(CN)3.H2O, Na[Tl(CN)4].3H2O, K[Tl(CN)4], and TlI[TlIII(CN)4] and of TlI2C2O4","Inorganic Chemistry","2005","44","","2347","2357","10.1021/ic0485918","","","0.71073","MoKα","","0.146","0.0583","","","0.0973","0.113","","","","","","0.948","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308989","10.6136","0.0011","10.7203","0.0014","19.161","0.002","90","","96.96","0.02","90","","2164.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 N4 Na O3 Tl -","- C4 N4 Na O3 Tl -","- C32 N32 Na8 O24 Tl8 -","8","1","","Péter Nagy; Andreas Fischer; Julius Glaser; Andrey Ilyukhin; Mikhail Maliarik; Imre Tóth","Solubility, Complex Formation, and Redox Reactions in the Tl2O3-HCN/CN‒H2O System. Crystal Structures of the Cyano Compounds Tl(CN)3.H2O, Na[Tl(CN)4].3H2O, K[Tl(CN)4], and TlI[TlIII(CN)4] and of TlI2C2O4","Inorganic Chemistry","2005","44","","2347","2357","10.1021/ic0485918","","x-ray","0.71073","MoKα","","0.0595","0.0439","","","0.1109","0.1199","","","","","","1.092","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308990","33.0247","0.0002","29.4271","0.0005","20.5927","0.0003","90","","122.8","0.001","90","","16821.8","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H75 As8 Cd3 N15 O46 V13 -","- C20 H52 As8 Cd3 N15 O46.01 V13 -","- C160 H416 As64 Cd24 N120 O368.08 V104 -","8","1","","Shou-Tian Zheng; Jie Zhang; Guo-Yu Yang","Hydrothermal Syntheses and Crystal Structures of Two Novel, Hybrid Materials Based on Secondary Transition-Metal-Incorporated Polyoxovanadate Cluster Backbones: [Cd(dien)2]2[(dien)CdAs8V13O41(H2O)].4H2O and [Cd(en)2]2[(en)2Cd2As8V12O40]","Inorganic Chemistry","2005","44","","2426","2430","10.1021/ic0486015","","","0.71073","MoKα","","","0.0918","","","0.169","0.1927","","","","","","1.197","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308991","12.3743","0.0007","19.4268","0.0011","14.143","0.0008","90","","102.842","0.002","90","","3314.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H48 As8 Cd4 N12 O40 V12 -","- C12 H32 As8 Cd4 N12 O40 V12 -","- C24 H64 As16 Cd8 N24 O80 V24 -","2","0.5","","Shou-Tian Zheng; Jie Zhang; Guo-Yu Yang","Hydrothermal Syntheses and Crystal Structures of Two Novel, Hybrid Materials Based on Secondary Transition-Metal-Incorporated Polyoxovanadate Cluster Backbones: [Cd(dien)2]2[(dien)CdAs8V13O41(H2O)].4H2O and [Cd(en)2]2[(en)2Cd2As8V12O40]","Inorganic Chemistry","2005","44","","2426","2430","10.1021/ic0486015","","","0.71073","MoKα","","","0.076","","","0.1749","0.2121","","","","","","1.021","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308992","11.2467","0.0001","11.3887","0.0001","12.8985","0.0001","92.65","","96.55","","91.8","","1638.45","0.02","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H64 B4 Zr -","- C31.904 H64 B4 Zr -","- C63.808 H128 B8 Zr2 -","2","1","","Errun Ding; Bin Du; Edward A. Meyers; Sheldon G. Shore; Muhammed Yousufuddin; Robert Bau; Garry J. McIntyre","Synthesis and X-ray and Neutron Structures of Zr{(μ-H)2BC8H14}4","Inorganic Chemistry","2005","44","","2459","2464","10.1021/ic048629g","","","0.71073","MoKα","","0.0405","0.0317","","","0.0863","0.1045","","","","","","1.16","","","","has coordinates,has disorder","179127","2020-10-21","18:00:00",""
"4308993","11.247","0.001","11.389","0.001","12.898","0.001","92.65","0.01","96.55","0.01","91.8","0.01","1638.5","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H64 B4 Zr -","- C32 H64 B4 Zr -","- C64 H128 B8 Zr2 -","2","1","","Ding, Errun; Du, Bin; Meyers, Edward A.; Shore, Sheldon G.; Yousufuddin, Muhammed; Bau, Robert; McIntyre, Garry J.","Synthesis and X-ray and Neutron Structures of Zr{(μ-H)2BC8H14}4","Inorganic Chemistry","2005","44","7","2459","2464","10.1021/ic048629g","","","0.9","","","0.1637","0.0652","","","0.0985","0.113","","","","","","1.137","","","","has coordinates","210283","2020-10-21","18:00:00",""
"4308994","13.2088","0.0001","14.198","0.0001","22.0121","0.0002","72.3778","0.0004","81.9072","0.0004","74.9263","0.0005","3790.38","0.05","200","","","","","","","","","","Local laboratory","7","P -1","-P 1","2","","","","- C77 H66 As4 B Cl2 F4 Pt2 -","- C77 H66 As4 B Cl2 F4 Pt2 -","- C154 H132 As8 B2 Cl4 F8 Pt4 -","2","1","","Martin A. Bennett; Suresh K. Bhargava; John F. Boas; René T. Boeré; Alan M. Bond; Alison J. Edwards; Si-Xuan Guo; Anton Hammerl; John R. Pilbrow; Steven H. Privér; Peter Schwerdtfeger","Electrochemically Informed Synthesis and Characterization of Salts of the [Pt2(μ-κAs,κC-C6H3-5-Me-2-AsPh2)4]+ Lantern Complex Containing a Pt-Pt Bond of Order 1/2","Inorganic Chemistry","2005","44","","2472","2482","10.1021/ic048660i","","","0.71073","MoKα","","","0.0267","","","","0.0292","","","","","","1.0702","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308995","18.1183","0.0018","11.5803","0.0011","28.519","0.003","90","","101.861","0.002","90","","5856","1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H74 F12 N4 O7 P4 Re2 -","- C47 H70 F12 N4 O7 P4 Re2 -","- C188 H280 F48 N16 O28 P16 Re8 -","4","1","","Paul D. Benny; Jenny L. Green; Hendrik P. Engelbrecht; Charles L. Barnes; Silvia S. Jurisson","Reactivity of Rhenium(V) Oxo Schiff Base Complexes with Phosphine Ligands: Rearrangement and Reduction Reactions","Inorganic Chemistry","2005","44","","2381","2390","10.1021/ic048670j","","","0.71073","MoKα","","0.041","0.0305","","","0.0675","0.0709","","","","","","1.04","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308996","18.8261","0.0012","16.2517","0.001","15.4556","0.001","95.522","0.001","97.13","0.001","91.35","0.001","4667.4","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H48 F6 N2 O2.5 P3 Re -","- C48 H48 F6 N2 O2.5 P3 Re -","- C192 H192 F24 N8 O10 P12 Re4 -","4","2","","Paul D. Benny; Jenny L. Green; Hendrik P. Engelbrecht; Charles L. Barnes; Silvia S. Jurisson","Reactivity of Rhenium(V) Oxo Schiff Base Complexes with Phosphine Ligands: Rearrangement and Reduction Reactions","Inorganic Chemistry","2005","44","","2381","2390","10.1021/ic048670j","","","0.71073","MoKα","","0.0536","0.0377","","","0.1007","0.1085","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4308997","10.4753","0.0006","18.4315","0.001","18.9245","0.0011","90","","90","","90","","3653.9","0.4","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C32 H48 F6 N2 O2 P3 Re -","- C32 H48 F6 N2 O2 P3 Re -","- C128 H192 F24 N8 O8 P12 Re4 -","4","0.5","","Paul D. Benny; Jenny L. Green; Hendrik P. Engelbrecht; Charles L. Barnes; Silvia S. Jurisson","Reactivity of Rhenium(V) Oxo Schiff Base Complexes with Phosphine Ligands: Rearrangement and Reduction Reactions","Inorganic Chemistry","2005","44","","2381","2390","10.1021/ic048670j","","","0.71073","MoKα","","0.029","0.0197","","","0.043","0.0463","","","","","","1.036","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308998","39.8194","0.0015","13.6187","0.0005","20.1777","0.0008","90","","107.773","0.001","90","","10419.9","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H33 F7.5 N2 O3 P2.25 Re -","- C18 H33 F7.5 N2 O3 P2.25 Re -","- C288 H528 F120 N32 O48 P36 Re16 -","16","2","","Paul D. Benny; Jenny L. Green; Hendrik P. Engelbrecht; Charles L. Barnes; Silvia S. Jurisson","Reactivity of Rhenium(V) Oxo Schiff Base Complexes with Phosphine Ligands: Rearrangement and Reduction Reactions","Inorganic Chemistry","2005","44","","2381","2390","10.1021/ic048670j","","","0.71073","MoKα","","0.0761","0.0355","","","0.0945","0.1115","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308999","10.3094","0.001","12.1196","0.0012","14.8146","0.0015","105.939","0.002","105.383","0.002","93.525","0.002","1698","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H35 Cl F6 N2 O3 P2 Re -","- C32 H35 Cl F6 N2 O3 P2 Re -","- C64 H70 Cl2 F12 N4 O6 P4 Re2 -","2","1","","Paul D. Benny; Jenny L. Green; Hendrik P. Engelbrecht; Charles L. Barnes; Silvia S. Jurisson","Reactivity of Rhenium(V) Oxo Schiff Base Complexes with Phosphine Ligands: Rearrangement and Reduction Reactions","Inorganic Chemistry","2005","44","","2381","2390","10.1021/ic048670j","","","0.71073","MoKα","","0.0323","0.0277","","","0.0701","0.0738","","","","","","1.073","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4309000","20.457","0.003","20.457","0.003","18.516","0.004","90","","90","","120","","6711","2","291","2","291","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H60 Ag6 I7 K N24 O12 -","- C72 H60 Ag6 I7 K N24 O12 -","- C216 H180 Ag18 I21 K3 N72 O36 -","3","0.166667","","Yunyin Niu; Yinglin Song; Hongwei Hou; Yu Zhu","Synthesis, Structure, and Large Optical Limiting Effect of the First Coordination Polymeric Cluster Based on an {I@[AgI(inh)]6} Hexagram Block","Inorganic Chemistry","2005","44","","2553","2559","10.1021/ic0487023","","","0.71073","MoKα","","0.0588","0.0342","","","0.0641","0.0683","","","","","","1.058","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309001","13.8988","0.0005","13.2791","0.0005","15.6293","0.0006","90","","108.541","0.001","90","","2734.88","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tungsten sulfide cluster with 4-aminopyridine ligands","octakis(mu!3$-sulfido)-hexakis(4-aminopyridine) -hexa-tungsten tetrakis(dimethylformamide) solvate ?","","- C38 H52 N16 O4 S8 W6 -","- C38 H52 N16 O4 S8 W6 -","- C76 H104 N32 O8 S16 W12 -","2","0.5","","Catherine M. Oertel; Ryan D. Sweeder; Sonal Patel; Craig M. Downie; Francis J. DiSalvo","Synthesis and Characterization of Hydrogen-Bonded Assemblies of W6S8L6 Clusters","Inorganic Chemistry","2005","44","","2287","2296","10.1021/ic0487225","","","0.71073","MoKα","","0.0588","0.036","","","0.0738","0.0809","","","","","","0.997","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309002","16.461","0.011","33.08","0.02","13.165","0.01","90","","103.27","0.015","90","","6977","8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tungsten sulfide cluster with 4-pyridineacetamide ligands","octakis(mu!3$-sulfido)-hexakis(4-pyridineacetamide) -hexa-tungsten dimethylformamide solvate ?","","- C52 H0 N15 O8 S8 W6 -","- C52 N15 O8 S8 W6 -","- C208 N60 O32 S32 W24 -","4","1","","Catherine M. Oertel; Ryan D. Sweeder; Sonal Patel; Craig M. Downie; Francis J. DiSalvo","Synthesis and Characterization of Hydrogen-Bonded Assemblies of W6S8L6 Clusters","Inorganic Chemistry","2005","44","","2287","2296","10.1021/ic0487225","","","0.71073","MoKα","","0.1776","0.0846","","","0.2128","0.2704","","","","","","0.944","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309003","10.7426","0.0009","15.6919","0.0008","25.024","0.002","90","","96.796","0.01","90","","4188.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 Ge N2 O14 -","- C36 H66 Ge N2 O14 -","- C144 H264 Ge4 N8 O56 -","4","1","","Oliver Seiler; Christian Burschka; Dietmar Schwahn; Reinhold Tacke","Behavior of Tri(n-butyl)ammonium Bis[citrato(3-)-O1,O3,O6]silicate in Aqueous Solution: Analysis of a Sol-Gel Process by Small-Angle Neutron Scattering","Inorganic Chemistry","2005","44","","2318","2325","10.1021/ic048748w","","","0.71073","MoKα","","0.038","0.0306","","","0.0786","0.0811","","","","","","1.037","","","","has coordinates,has disorder","179128","2020-10-21","18:00:00",""
"4309004","12.333","0.002","16.208","0.004","16.516","0.003","112.438","0.003","94.735","0.003","104.749","0.003","2890.7","1","123.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C100 H104 N2 Ni4 O40 P4 V10 -","- C100 H104 N2 Ni4 O40 P4 V10 -","- C100 H104 N2 Ni4 O40 P4 V10 -","1","0.5","","Taisei Kurata; Akira Uehara; Yoshihito Hayashi; Kiyoshi Isobe","Cyclic Polyvanadates Incorporating Template Transition Metal Cationic Species: Synthesis and Structures of Hexavanadate [PdV6O18]4-, Octavanadate [Cu2V8O24]4-, and Decavanadate [Ni4V10O30(OH)2(H2O)6]4-","Inorganic Chemistry","2005","44","","2524","2530","10.1021/ic048751f","","","0.7107","MoKα","","","0.0434","","","","0.1038","","","","","","1.092","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309005","29.952","0.004","12.911","0.002","13.678","0.002","90","","90","","90","","5289.4","1.3","123.2","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C34 H85 N5 O19 Pd V6 -","- C34 H83 N5 O18 Pd V6 -","- C136 H332 N20 O72 Pd4 V24 -","4","1","","Taisei Kurata; Akira Uehara; Yoshihito Hayashi; Kiyoshi Isobe","Cyclic Polyvanadates Incorporating Template Transition Metal Cationic Species: Synthesis and Structures of Hexavanadate [PdV6O18]4-, Octavanadate [Cu2V8O24]4-, and Decavanadate [Ni4V10O30(OH)2(H2O)6]4-","Inorganic Chemistry","2005","44","","2524","2530","10.1021/ic048751f","","","0.7107","MoKα","","","0.0716","","","","0.1254","","","","","","0.961","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309006","13.7401","0.0011","22.488","0.002","18.5046","0.0015","90","","94.058","0.002","90","","5703.4","0.8","123","2","123","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H84 Cu2 N4 O26 V8 -","- C32 H80 Cu2 N4 O26 V8 -","- C128 H320 Cu8 N16 O104 V32 -","4","1","","Taisei Kurata; Akira Uehara; Yoshihito Hayashi; Kiyoshi Isobe","Cyclic Polyvanadates Incorporating Template Transition Metal Cationic Species: Synthesis and Structures of Hexavanadate [PdV6O18]4-, Octavanadate [Cu2V8O24]4-, and Decavanadate [Ni4V10O30(OH)2(H2O)6]4-","Inorganic Chemistry","2005","44","","2524","2530","10.1021/ic048751f","","","0.7107","MoKα","","0.1395","0.0519","","0.1074","","0.0723","","","0.833","","","0.874","","","","has coordinates,has disorder","179128","2020-10-21","18:00:00",""
"4309007","19.4091","0.0008","8.9255","0.0004","19.7706","0.0008","90","","106.98","0.001","90","","3275.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H40 N6 O4 Pb S2 -","- C28 H40 N6 O4 Pb S2 -","- C112 H160 N24 O16 Pb4 S8 -","4","1","","Carlos Platas-Iglesias; David Esteban-Gómez; Teresa Enríquez-Pérez; Fernando Avecilla; Andrés de Blas; Teresa Rodríguez-Blas","Lead(II) Thiocyanate Complexes with Bibracchial Lariat Ethers: An X-ray and DFT Study","Inorganic Chemistry","2005","44","","2224","2233","10.1021/ic048768y","","","0.71073","MoKα","","0.1419","0.0542","","","0.0881","0.1091","","","","","","0.917","","","","has coordinates,has disorder","179128","2020-10-21","18:00:00",""
"4309008","27.18","0.003","10.6622","0.0011","15.005","0.005","90","0.002","96.234","0.002","90","0.002","4322.7","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N6 O6 Pb S2 -","- C42 H48 N6 O6 Pb S2 -","- C168 H192 N24 O24 Pb4 S8 -","4","0.5","","Carlos Platas-Iglesias; David Esteban-Gómez; Teresa Enríquez-Pérez; Fernando Avecilla; Andrés de Blas; Teresa Rodríguez-Blas","Lead(II) Thiocyanate Complexes with Bibracchial Lariat Ethers: An X-ray and DFT Study","Inorganic Chemistry","2005","44","","2224","2233","10.1021/ic048768y","","","0.71073","MoKα","","0.0698","0.0332","","","0.0765","0.0849","","","","","","0.892","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309009","4.1118","0.0014","15.844","0.005","3.9885","0.0013","90","","90","","90","","259.84","0.15","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Fe Ge8 Tb4 -","- Fe Ge8 Tb4 -","- Fe Ge8 Tb4 -","1","0.0625","","Marina A. Zhuravleva; Daniel Bilc; Robert J. Pcionek; S. D. Mahanti; Mercouri G. Kanatzidis","Tb4FeGe8 Grown in Liquid Gallium: Trans-Cis Chains from the Distortion of a Planar Ge Square Net","Inorganic Chemistry","2005","44","","2177","2188","10.1021/ic0487878","","","0.71073","MoKα","","0.0371","0.0363","","","0.0893","0.0898","","","","","","1.115","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309010","5.7315","0.0011","15.842","0.003","11.438","0.002","90","","91.724","0.004","90","","1038.1","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Fe Ge8 Tb4 -","- Fe Ge8 Tb4 -","- Fe4 Ge32 Tb16 -","4","1","","Marina A. Zhuravleva; Daniel Bilc; Robert J. Pcionek; S. D. Mahanti; Mercouri G. Kanatzidis","Tb4FeGe8 Grown in Liquid Gallium: Trans-Cis Chains from the Distortion of a Planar Ge Square Net","Inorganic Chemistry","2005","44","","2177","2188","10.1021/ic0487878","","","0.71073","MoKα","","0.1457","0.0643","","","0.1735","0.216","","","","","","0.851","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309011","14.0054","0.0003","16.119","0.0004","23.8186","0.0005","90","","91.331","0.001","90","","5375.7","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Cl0.5 Cs2.5 Mo3 O15.5 S7 -","- C6 Cl0.5 Cs2.5 Mo3 O15.5 S7 -","- C48 Cl4 Cs20 Mo24 O124 S56 -","8","2","","Maxim N. Sokolov; Artyom L. Gushchin; Dmitrii Yu. Naumov; Olga A. Gerasko; Vladimir P. Fedin","Cluster Oxalate Complexes [M3(μ3-Q)(μ2-Q2)3(C2O4)3]2- and [Mo3(μ3-Q)(μ2-Q)3(C2O4)3(H2O)3]2- (M = Mo, W; Q = S, Se): Mechanochemical Synthesis and Crystal Structure","Inorganic Chemistry","2005","44","","2431","2436","10.1021/ic0488637","","x-ray","0.71073","MoKα","","0.0392","0.0333","","","0.0948","0.0979","","","","","","1.067","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309012","15.3693","0.001","14.6896","0.0006","31.1011","0.0019","90","","102.285","0.001","90","","6860.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H66 Mo3 O24 P2 Se4 -","- C55 H49 Mo3 O24 P2 Se4 -","- C220 H196 Mo12 O96 P8 Se16 -","4","1","","Maxim N. Sokolov; Artyom L. Gushchin; Dmitrii Yu. Naumov; Olga A. Gerasko; Vladimir P. Fedin","Cluster Oxalate Complexes [M3(μ3-Q)(μ2-Q2)3(C2O4)3]2- and [Mo3(μ3-Q)(μ2-Q)3(C2O4)3(H2O)3]2- (M = Mo, W; Q = S, Se): Mechanochemical Synthesis and Crystal Structure","Inorganic Chemistry","2005","44","","2431","2436","10.1021/ic0488637","","x-ray","0.71073","MoKα","","0.0931","0.0515","","","0.1328","0.1504","","","","","","0.986","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309013","15.0725","0.0008","13.5246","0.0008","27.3192","0.0015","90","","100.878","0.001","90","","5468.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br0.5 K2.5 Mo3 O16 Se7 -","- C6 Br0.5 K2.5 Mo3 O16 Se7 -","- C48 Br4 K20 Mo24 O128 Se56 -","8","2","","Maxim N. Sokolov; Artyom L. Gushchin; Dmitrii Yu. Naumov; Olga A. Gerasko; Vladimir P. Fedin","Cluster Oxalate Complexes [M3(μ3-Q)(μ2-Q2)3(C2O4)3]2- and [Mo3(μ3-Q)(μ2-Q)3(C2O4)3(H2O)3]2- (M = Mo, W; Q = S, Se): Mechanochemical Synthesis and Crystal Structure","Inorganic Chemistry","2005","44","","2431","2436","10.1021/ic0488637","","x-ray","0.71073","MoKα","","0.0489","0.0374","","","0.0945","0.0984","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309014","14.9237","0.0006","13.2375","0.0008","26.9304","0.0016","90","","101.397","0.001","90","","5215.3","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Br0.5 K2.5 O17 S7 W3 -","- C6 Br0.5 K2.5 O17 S7 W3 -","- C48 Br4 K20 O136 S56 W24 -","8","2","","Maxim N. Sokolov; Artyom L. Gushchin; Dmitrii Yu. Naumov; Olga A. Gerasko; Vladimir P. Fedin","Cluster Oxalate Complexes [M3(μ3-Q)(μ2-Q2)3(C2O4)3]2- and [Mo3(μ3-Q)(μ2-Q)3(C2O4)3(H2O)3]2- (M = Mo, W; Q = S, Se): Mechanochemical Synthesis and Crystal Structure","Inorganic Chemistry","2005","44","","2431","2436","10.1021/ic0488637","","x-ray","0.71073","MoKα","","0.0653","0.0417","","","0.1008","0.1067","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309015","14.781","0.0008","13.1362","0.0007","26.7804","0.0014","90","","99.154","0.001","90","","5133.6","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Br0.5 K2.5 Mo3 O15 S7 -","- C6 Br0.5 K2.5 Mo3 O15 S7 -","- C48 Br4 K20 Mo24 O120 S56 -","8","2","","Maxim N. Sokolov; Artyom L. Gushchin; Dmitrii Yu. Naumov; Olga A. Gerasko; Vladimir P. Fedin","Cluster Oxalate Complexes [M3(μ3-Q)(μ2-Q2)3(C2O4)3]2- and [Mo3(μ3-Q)(μ2-Q)3(C2O4)3(H2O)3]2- (M = Mo, W; Q = S, Se): Mechanochemical Synthesis and Crystal Structure","Inorganic Chemistry","2005","44","","2431","2436","10.1021/ic0488637","","x-ray","0.71073","MoKα","","0.1045","0.0431","","","0.0995","0.1141","","","","","","0.814","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309016","11.0139","0.0008","12.6133","0.0012","13.9776","0.0013","107.069","0.002","93.029","0.003","94.69","0.002","1844","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H34.5 Br K Mo3 N1.5 O14 S7 -","- C18 H20 Br K Mo3 N1.5 O14 S7 -","- C36 H40 Br2 K2 Mo6 N3 O28 S14 -","2","1","","Maxim N. Sokolov; Artyom L. Gushchin; Dmitrii Yu. Naumov; Olga A. Gerasko; Vladimir P. Fedin","Cluster Oxalate Complexes [M3(μ3-Q)(μ2-Q2)3(C2O4)3]2- and [Mo3(μ3-Q)(μ2-Q)3(C2O4)3(H2O)3]2- (M = Mo, W; Q = S, Se): Mechanochemical Synthesis and Crystal Structure","Inorganic Chemistry","2005","44","","2431","2436","10.1021/ic0488637","","x-ray","0.71073","MoKα","","0.0442","0.0351","","","0.1013","0.105","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309017","14.8766","0.0007","14.5692","0.0005","30.5265","0.0013","90","","102.976","0.008","90","","6447.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 Mo3 O26 P2 S4 -","- C54 H40 Mo3 O26 P2 S4 -","- C216 H160 Mo12 O104 P8 S16 -","4","1","","Maxim N. Sokolov; Artyom L. Gushchin; Dmitrii Yu. Naumov; Olga A. Gerasko; Vladimir P. Fedin","Cluster Oxalate Complexes [M3(μ3-Q)(μ2-Q2)3(C2O4)3]2- and [Mo3(μ3-Q)(μ2-Q)3(C2O4)3(H2O)3]2- (M = Mo, W; Q = S, Se): Mechanochemical Synthesis and Crystal Structure","Inorganic Chemistry","2005","44","","2431","2436","10.1021/ic0488637","","x-ray","0.71073","MoKα","","0.0777","0.044","","","0.1087","0.1196","","","","","","1.001","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309018","10.7509","0.0005","19.0486","0.0008","26.3302","0.0012","107.737","0.002","101.134","0.002","90.68","0.002","5024.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H74.46 Br6 N8 O7.23 -","- C36 H74.455 Br6.0005 N8 O7.2275 -","- C144 H297.82 Br24.002 N32 O28.91 -","4","2","","Md. Alamgir Hossain; Paula Morehouse; Douglas Powell; Kristin Bowman-James","Tritopic (Cascade) and Ditopic Complexes of Halides with an Azacryptand","Inorganic Chemistry","2005","44","","2143","2149","10.1021/ic048937e","","","0.71073","MoKα","","0.0816","0.0619","","","0.1611","0.1717","","","","","","1.06","","","","has coordinates,has disorder","179128","2020-10-21","18:00:00",""
"4309019","9.8304","0.0011","15.9973","0.0019","17.417","0.002","84.404","0.003","89.959","0.003","77.098","0.002","2656.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H86 F14 N8 O13 Si2 -","- C36 H86 F14 N8 O13 Si2 -","- C72 H172 F28 N16 O26 Si4 -","2","1","","Md. Alamgir Hossain; Paula Morehouse; Douglas Powell; Kristin Bowman-James","Tritopic (Cascade) and Ditopic Complexes of Halides with an Azacryptand","Inorganic Chemistry","2005","44","","2143","2149","10.1021/ic048937e","","","0.71073","MoKα","","0.0573","0.0443","","","0.1129","0.1189","","","","","","0.974","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309020","10.2614","0.0008","14.6708","0.0011","17.2858","0.0013","81.842","0.002","84.129","0.002","76.707","0.002","2500.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H80 Cl2 F8 N8 O10 Si -","- C36 H80 Cl2 F8 N8 O10 Si -","- C72 H160 Cl4 F16 N16 O20 Si2 -","2","1","","Md. Alamgir Hossain; Paula Morehouse; Douglas Powell; Kristin Bowman-James","Tritopic (Cascade) and Ditopic Complexes of Halides with an Azacryptand","Inorganic Chemistry","2005","44","","2143","2149","10.1021/ic048937e","","","0.71073","MoKα","","0.0724","0.0468","","","0.115","0.1284","","","","","","1.009","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309021","11.4706","0.0006","15.7895","0.0009","27.0054","0.0015","90","","101.164","0.002","90","","4798.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H74 Cl6 N8 O6 -","- C37 H74 Cl6 N8 O6 -","- C148 H296 Cl24 N32 O24 -","4","1","","Md. Alamgir Hossain; Paula Morehouse; Douglas Powell; Kristin Bowman-James","Tritopic (Cascade) and Ditopic Complexes of Halides with an Azacryptand","Inorganic Chemistry","2005","44","","2143","2149","10.1021/ic048937e","","","0.71073","MoKα","","0.1148","0.0449","","","0.076","0.0873","","","","","","0.762","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309022","30.9882","0.0017","20.6547","0.0011","32.8991","0.0018","90","","90.456","0.002","90","","21056","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H80.5 Cl4 N8 O15.75 P2 -","- C36.5 H80.5 Cl4 N8 O15.75 P2 -","- C584 H1288 Cl64 N128 O252 P32 -","16","2","","Md. Alamgir Hossain; Paula Morehouse; Douglas Powell; Kristin Bowman-James","Tritopic (Cascade) and Ditopic Complexes of Halides with an Azacryptand","Inorganic Chemistry","2005","44","","2143","2149","10.1021/ic048937e","","","0.71073","MoKα","","0.1379","0.1067","","","0.2839","0.3049","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309023","10.8591","0.0001","18.4542","0.0003","22.6775","0.0003","81.38","0.001","82.4","0.001","79.001","0.001","4385.38","0.1","273","1","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H39 Cl N2 P2 Ru -","- C42 H39 Cl N2 P2 Ru -","- C168 H156 Cl4 N8 P8 Ru4 -","4","2","","Kamaluddin Abdur-Rashid; Robert Abbel; Alen Hadzovic; Alan J. Lough; Robert H. Morris","Chemistry of Ruthenium(II) Monohydride and Dihydride Complexes Containing Pyridyl Donor Ligands Including Catalytic Ketone H2-Hydrogenation1","Inorganic Chemistry","2005","44","","2483","2492","10.1021/ic0489387","","","0.71073","MoKα","","0.0654","0.0395","","","0.1219","0.1333","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309024","9.8852","0.001","16.3564","0.0002","22.3784","0.0004","90","","90","","90","","3618.3","0.4","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 N2 P2 Ru -","- C42 H40 N2 P2 Ru -","- C168 H160 N8 P8 Ru4 -","4","1","","Kamaluddin Abdur-Rashid; Robert Abbel; Alen Hadzovic; Alan J. Lough; Robert H. Morris","Chemistry of Ruthenium(II) Monohydride and Dihydride Complexes Containing Pyridyl Donor Ligands Including Catalytic Ketone H2-Hydrogenation1","Inorganic Chemistry","2005","44","","2483","2492","10.1021/ic0489387","","","0.71073","MoKα","","0.0329","0.029","","","0.0616","0.0631","","","","","","1.034","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309025","9.7052","0.0002","16.3191","0.0007","23.3994","0.001","90","","90.205","0.003","90","","3706","0.2","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 N2 P2 Ru -","- C46 H40 N2 P2 Ru -","- C184 H160 N8 P8 Ru4 -","4","0.5","","Kamaluddin Abdur-Rashid; Robert Abbel; Alen Hadzovic; Alan J. Lough; Robert H. Morris","Chemistry of Ruthenium(II) Monohydride and Dihydride Complexes Containing Pyridyl Donor Ligands Including Catalytic Ketone H2-Hydrogenation1","Inorganic Chemistry","2005","44","","2483","2492","10.1021/ic0489387","","","0.71073","MoKα","","0.0507","0.0361","","","0.0738","0.0779","","","","","","1.028","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309026","27.0614","0.0004","17.0984","0.0004","18.4155","0.0007","90","","101.098","0.001","90","","8361.6","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 N2 O2 P2 Ru -","- C49 H46 N2 O2 P2 Ru -","- C392 H368 N16 O16 P16 Ru8 -","8","2","","Kamaluddin Abdur-Rashid; Robert Abbel; Alen Hadzovic; Alan J. Lough; Robert H. Morris","Chemistry of Ruthenium(II) Monohydride and Dihydride Complexes Containing Pyridyl Donor Ligands Including Catalytic Ketone H2-Hydrogenation1","Inorganic Chemistry","2005","44","","2483","2492","10.1021/ic0489387","","","0.71073","MoKα","","0.1106","0.0507","","","0.0988","0.1192","","","","","","1.015","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309027","7.588","0.0003","8.025","0.0003","8.998","0.0004","81.321","0.003","78.132","0.002","73.842","0.0018","512.46","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cl2 N4 O2 -","- C24 H18 Cl2 N4 O2 -","- C24 H18 Cl2 N4 O2 -","1","0.5","","Sheba D. Bergman; Israel Goldberg; Andrea Barbieri; Moshe Kol","Mononuclear and Dinuclear Complexes of Isoeilatin","Inorganic Chemistry","2005","44","","2513","2523","10.1021/ic050002q","","","0.71073","MoKα","","0.0544","0.0439","","","0.11","0.1175","","","","","","1.079","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309028","9.193","0.0003","26.295","0.0006","15.313","0.0006","90","","97.936","0.0012","90","","3666.2","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H66 Cl4 N18 O2 Ru2 -","- C72 H44 Cl4 N15 O3 Ru2 -","- C144 H88 Cl8 N30 O6 Ru4 -","2","0.5","","Sheba D. Bergman; Israel Goldberg; Andrea Barbieri; Moshe Kol","Mononuclear and Dinuclear Complexes of Isoeilatin","Inorganic Chemistry","2005","44","","2513","2523","10.1021/ic050002q","","","0.71073","MoKα","","0.1073","0.0645","","","0.1603","0.1854","","","","","","1.019","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309029","11.12","0.0003","12.653","0.0003","13.958","0.0005","94.232","0.001","97.797","0.001","110.913","0.0011","1801.65","0.09","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H54 F24 N14 O2 P4 Ru2 -","- C68 H50 F24 N14 O2 P4 Ru2 -","- C68 H50 F24 N14 O2 P4 Ru2 -","1","0.5","","Sheba D. Bergman; Israel Goldberg; Andrea Barbieri; Moshe Kol","Mononuclear and Dinuclear Complexes of Isoeilatin","Inorganic Chemistry","2005","44","","2513","2523","10.1021/ic050002q","","","0.71073","MoKα","","0.0923","0.0703","","","0.1793","0.1976","","","","","","1.029","","","","has coordinates,has disorder","179128","2020-10-21","18:00:00",""
"4309030","11.159","0.0005","12.667","0.0005","13.951","0.0006","94.184","0.003","97.471","0.0019","111.128","0.003","1808.44","0.14","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H25 F12 N7 O Os P2 -","- C34 H27 F12 N7 O Os P2 -","- C68 H54 F24 N14 O2 Os2 P4 -","2","1","","Sheba D. Bergman; Israel Goldberg; Andrea Barbieri; Moshe Kol","Mononuclear and Dinuclear Complexes of Isoeilatin","Inorganic Chemistry","2005","44","","2513","2523","10.1021/ic050002q","","","0.71073","MoKα","","0.0496","0.0388","","","0.0932","0.0987","","","","","","1.025","","","","has coordinates,has disorder","179128","2020-10-21","18:00:00",""
"4309031","9.37871","0.00014","9.37598","0.00014","9.85465","0.00013","90","","90","","90","","866.56","0.02","","","","","","","","","","","","3","I m m m","-I 2 2","71","","","","- Bi Co5 Ho12 -","- Bi1.00112 Co4.99021 Ho12.0217 -","- Bi2.00224 Co9.98042 Ho24.0434 -","2","0.125","","Andriy V. Tkachuk; Arthur Mar","Structure and Physical Properties of Ternary Rare-Earth Cobalt Bismuth Intermetallics (RE)12Co5Bi (RE = Y, Gd, Tb, Dy, Ho, Er, Tm)","Inorganic Chemistry","2005","44","","2272","2281","10.1021/ic048195p","powder diffraction","","","X-ray","","","","","","","","","4.7953","","","","","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309032","7.18337","","7.18337","","7.18337","","90","","90","","90","","370.668","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co Ho2 -","- Co2 Ho1.00036 -","- Co16 Ho8.00288 -","8","0.0416667","","Andriy V. Tkachuk; Arthur Mar","Structure and Physical Properties of Ternary Rare-Earth Cobalt Bismuth Intermetallics (RE)12Co5Bi (RE = Y, Gd, Tb, Dy, Ho, Er, Tm)","Inorganic Chemistry","2005","44","","2272","2281","10.1021/ic048195p","powder diffraction","","","X-ray","","","","","","","","","5.579","","","","","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309033","12.32059","0.00051","24.1211","0.001","3.8","","90","","90","","90","","1129.31","0.07","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[DT-TTF][Au0.75Pt0.25(mnt)2]","","","- C18 H4 Au0.75 N4 Pt0.25 S10 -","- C18 H4 Au0.75 N4 Pt0.25 S10 -","- C36 H8 Au1.5 N8 Pt0.5 S20 -","2","0.5","","Xavi Ribas; Angelo Sironi; Norberto Masciocchi; Elsa B. Lopes; Manuel Almeida; Jaume Veciana; Concepció Rovira","Structural, Magnetic, and Electrical Characterization of New Polycrystalline Phases of Nickel- and Platinum-Doped [(DT-TTF)n][Au(mnt)2] (n= 1, 2)","Inorganic Chemistry","2005","44","","2358","2366","10.1021/ic048484d","","","","","","","","","","","","","","","","","","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309034","18.5538","0.0029","3.81873","0.00042","12.5547","0.0016","97.17","0.012","85.085","0.01","86.41","0.013","876.9","0.2","","","","","","","","","","","","6","P -1","-P 1","2","[(DT-TTF)2][Au0.75Ni0.25(mnt)2]","","","- C38 H8 Au0.75 N4 Ni0.25 S16 -","- C28 H8 Au0.75 N4 Ni0.25 S16 -","- C28 H8 Au0.75 N4 Ni0.25 S16 -","1","0.5","","Xavi Ribas; Angelo Sironi; Norberto Masciocchi; Elsa B. Lopes; Manuel Almeida; Jaume Veciana; Concepció Rovira","Structural, Magnetic, and Electrical Characterization of New Polycrystalline Phases of Nickel- and Platinum-Doped [(DT-TTF)n][Au(mnt)2] (n= 1, 2)","Inorganic Chemistry","2005","44","","2358","2366","10.1021/ic048484d","","","","","","","","","","","","","","","","","","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309035","11.9935","0.0008","4.0098","0.0003","7.659","0.0008","90","","106.357","0.006","90","","353.43","0.05","293","2","295.15","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Al7.76 Co4 Si1.31 -","- Al7.76 Co4 Si1.32 -","- Al15.52 Co8 Si2.64 -","2","0.25","","Klaus W. Richter; Yurii Prots; Yuri Grin","Crystal structure, chemical bonding and phase relations of the novel compound Co~4~Al~7+x~Si~2-x~ (0.27<=x<=1.05)","Inorganic Chemistry","2005","44","","4576","4585","10.1021/ic0401243","","","0.7107","MoKα","","","0.03","","","","","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309036","11.6124","0.0001","11.6124","0.0001","15.5183","0.0002","90","","90","","90","","2092.61","0.04","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Bis[N-methyl-(2-oxy-2-phenylethyl)-(2-oxyethyl)amine]germanium","","- C22 H30 Ge N2 O4 -","- C22 H30 Ge N2 O4 -","- C88 H120 Ge4 N8 O16 -","4","0.5","","Sergey S. Karlov; Elmira Kh. Lermontova; Maxim V. Zabalov; Anastasia A. Selina; Andrei V. Churakov; Judith A. K. Howard; Mikhail Yu. Antipin; Galina S. Zaitseva","Synthesis, X-ray Diffraction Studies, and DFT Calculations on Hexacoordinated Germanium Derivatives: The Case of Germaspirobis(ocanes)","Inorganic Chemistry","2005","44","","4879","4886","10.1021/ic048165m","","","0.71073","MoKα","","0.0289","0.0246","","","0.0559","0.057","","","","","","1.068","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309037","17.0253","0.0007","18.4791","0.0007","17.4343","0.0007","90","","118.135","0.001","90","","4836.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(N-phenyl-diethanolamine)germanium toluene solvate","","- C27 H34 Ge N2 O4 -","- C27 H34 Ge N2 O4 -","- C216 H272 Ge8 N16 O32 -","8","2","","Sergey S. Karlov; Elmira Kh. Lermontova; Maxim V. Zabalov; Anastasia A. Selina; Andrei V. Churakov; Judith A. K. Howard; Mikhail Yu. Antipin; Galina S. Zaitseva","Synthesis, X-ray Diffraction Studies, and DFT Calculations on Hexacoordinated Germanium Derivatives: The Case of Germaspirobis(ocanes)","Inorganic Chemistry","2005","44","","4879","4886","10.1021/ic048165m","","","0.71073","MoKα","","0.0718","0.0424","","","0.102","0.1109","","","","","","0.95","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309038","7.2689","0.0002","8.9484","0.0002","9.7317","0.0004","114.659","0.001","101.605","0.001","92.855","0.001","557.12","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N4 O5 -","- C10 H12 N4 O5 -","- C20 H24 N8 O10 -","2","1","","Hugo Núñez; Lucía Soto; Juan Server-Carrió; Julia García-Lozano; Amparo Sancho; Rafael Acerete; Emilio Escrivà","Structural, Magnetic, and Spectroscopic Comparative Studies on Four New Derivatives of DIMMAL (2-Di1H-2-imidazolylmethylmalonate): A Novel Generator of Multidimensional Networks","Inorganic Chemistry","2005","44","","4644","4655","10.1021/ic048234x","","","0.71069","MoKα","","0.0577","0.0368","","","0.086","0.0936","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309039","8.459","0.005","8.664","0.005","12.403","0.005","70.9","0.005","72.29","0.005","81.95","0.005","817.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 N4 Na2 O9 -","- C10 H18 N4 Na2 O9 -","- C20 H36 N8 Na4 O18 -","2","1","","Hugo Núñez; Lucía Soto; Juan Server-Carrió; Julia García-Lozano; Amparo Sancho; Rafael Acerete; Emilio Escrivà","Structural, Magnetic, and Spectroscopic Comparative Studies on Four New Derivatives of DIMMAL (2-Di1H-2-imidazolylmethylmalonate): A Novel Generator of Multidimensional Networks","Inorganic Chemistry","2005","44","","4644","4655","10.1021/ic048234x","","","0.71069","MoKα","","0.0937","0.0687","","","0.1739","0.1927","","","","","","1.031","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309040","7.2199","0.0002","18.2281","0.0005","10.4093","0.0003","90","","126.018","0.0011","90","","1108.03","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cu N8 O8 -","- C20 H18 Cu N8 O8 -","- C40 H36 Cu2 N16 O16 -","2","0.5","","Hugo Núñez; Lucía Soto; Juan Server-Carrió; Julia García-Lozano; Amparo Sancho; Rafael Acerete; Emilio Escrivà","Structural, Magnetic, and Spectroscopic Comparative Studies on Four New Derivatives of DIMMAL (2-Di1H-2-imidazolylmethylmalonate): A Novel Generator of Multidimensional Networks","Inorganic Chemistry","2005","44","","4644","4655","10.1021/ic048234x","","","0.71073","MoKα","","0.0828","0.0422","","","0.0826","0.0923","","","","","","0.937","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309041","8.083","0.0004","9.1351","0.0004","9.182","0.001","71.99","0.01","75.6","0.01","83.33","0.01","623.95","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Cu2 N8 O12 -","- C20 H24 Cu2 N8 O12 -","- C20 H24 Cu2 N8 O12 -","1","0.5","","Hugo Núñez; Lucía Soto; Juan Server-Carrió; Julia García-Lozano; Amparo Sancho; Rafael Acerete; Emilio Escrivà","Structural, Magnetic, and Spectroscopic Comparative Studies on Four New Derivatives of DIMMAL (2-Di1H-2-imidazolylmethylmalonate): A Novel Generator of Multidimensional Networks","Inorganic Chemistry","2005","44","","4644","4655","10.1021/ic048234x","","","0.7107","MoKα","","0.0635","0.0465","","","0.0813","0.0906","","","","","","1.115","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309042","11.6477","0.0002","11.7793","0.0002","19.5014","0.0003","75.846","0.0006","77.0381","0.0006","75.8165","0.0007","2476.56","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H40 F12 N6 P2 Ru Si -","- C45 H40 F12 N6 P2 Ru Si -","- C90 H80 F24 N12 P4 Ru2 Si2 -","2","1","","Steve Welter; Nunzio Salluce; Arianna Benetti; Nicolette Rot; Peter Belser; Prashant Sonar; Andrew C. Grimsdale; Klaus Müllen; Martin Lutz; Anthony L. Spek; Luisa De Cola","Rodlike Bimetallic Ruthenium and Osmium Complexes Bridged by Phenylene Spacers. Synthesis, Electrochemistry, and Photophysics","Inorganic Chemistry","2005","44","","4706","4718","10.1021/ic0483141","","","0.71073","MoKα","","0.074","0.0671","","","0.1837","0.1892","","","","","","1.081","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309043","8.1374","0.0001","22.4401","0.0003","8.8604","0.0001","90","","92.628","0.001","90","","1616.24","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 O2 Zn2 -","- C32 H52 O2 Zn2 -","- C64 H104 O4 Zn4 -","2","0.5","","Malcolm H. Chisholm; Judith C. Gallucci; Hongfeng Yin; Hongshi Zhen","Arylzinc Alkoxides: [ArZnOCHP]2 and Ar2Zn3(OCHP)4 When Ar = C6H5, p-CF3C6H4, 2,4,6-Me3C6H2, and C6F5","Inorganic Chemistry","2005","44","","4777","4785","10.1021/ic048332i","","","0.71073","MoKα","","0.0357","0.0255","","0.0664","0.0628","","","","1.042","1.089","1.089","","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309044","9.9007","0.0001","14.1319","0.0002","9.9475","0.0002","90","","106.245","0.001","90","","1336.24","0.04","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 F6 Zn -","- C14 H8 F6 Zn -","- C56 H32 F24 Zn4 -","4","1","","Malcolm H. Chisholm; Judith C. Gallucci; Hongfeng Yin; Hongshi Zhen","Arylzinc Alkoxides: [ArZnOCHP]2 and Ar2Zn3(OCHP)4 When Ar = C6H5, p-CF3C6H4, 2,4,6-Me3C6H2, and C6F5","Inorganic Chemistry","2005","44","","4777","4785","10.1021/ic048332i","","","0.71073","MoKα","","0.0589","0.0394","","0.1165","0.1032","","","","1.038","1.086","1.086","","","","","has coordinates,has disorder","179128","2020-10-21","18:00:00",""
"4309045","11.8764","0.0001","21.9804","0.0003","12.3577","0.0002","90","","109.728","0.001","90","","3036.61","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 F6 O2 Zn2 -","- C28 H38 F6 O2 Zn2 -","- C112 H152 F24 O8 Zn8 -","4","1","","Malcolm H. Chisholm; Judith C. Gallucci; Hongfeng Yin; Hongshi Zhen","Arylzinc Alkoxides: [ArZnOCHP]2 and Ar2Zn3(OCHP)4 When Ar = C6H5, p-CF3C6H4, 2,4,6-Me3C6H2, and C6F5","Inorganic Chemistry","2005","44","","4777","4785","10.1021/ic048332i","","","0.71073","MoKα","","0.0485","0.0303","","0.0736","0.0674","","","","1.041","1.093","1.093","","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309046","12.41","0.0001","14.209","0.0001","14.7423","0.0001","75.629","0.001","69.088","0.001","76.624","0.001","2322.89","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H68 F6 O4 Zn3 -","- C42 H68 F6 O4 Zn3 -","- C84 H136 F12 O8 Zn6 -","2","1","","Malcolm H. Chisholm; Judith C. Gallucci; Hongfeng Yin; Hongshi Zhen","Arylzinc Alkoxides: [ArZnOCHP]2 and Ar2Zn3(OCHP)4 When Ar = C6H5, p-CF3C6H4, 2,4,6-Me3C6H2, and C6F5","Inorganic Chemistry","2005","44","","4777","4785","10.1021/ic048332i","","","0.71073","MoKα","","0.0642","0.0409","","0.1141","0.1032","","","","1.031","1.09","1.09","","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309047","7.8035","0.0001","9.7433","0.0001","11.0728","0.0001","114.135","0.001","95.441","0.001","104.636","0.001","724.403","0.016","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 F10 O2 Zn2 -","- C26 H30 F10 O2 Zn2 -","- C26 H30 F10 O2 Zn2 -","1","0.5","","Malcolm H. Chisholm; Judith C. Gallucci; Hongfeng Yin; Hongshi Zhen","Arylzinc Alkoxides: [ArZnOCHP]2 and Ar2Zn3(OCHP)4 When Ar = C6H5, p-CF3C6H4, 2,4,6-Me3C6H2, and C6F5","Inorganic Chemistry","2005","44","","4777","4785","10.1021/ic048332i","","","0.71073","MoKα","","0.0292","0.0242","","0.0627","0.0606","","","","1.044","1.069","1.069","","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309048","19.3632","0.0001","15.472","0.0001","16.4475","0.0001","90","","110.6","","90","","4612.4","0.05","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 F10 O4 Zn3 -","- C40 H60 F10 O4 Zn3 -","- C160 H240 F40 O16 Zn12 -","4","1","","Malcolm H. Chisholm; Judith C. Gallucci; Hongfeng Yin; Hongshi Zhen","Arylzinc Alkoxides: [ArZnOCHP]2 and Ar2Zn3(OCHP)4 When Ar = C6H5, p-CF3C6H4, 2,4,6-Me3C6H2, and C6F5","Inorganic Chemistry","2005","44","","4777","4785","10.1021/ic048332i","","","0.71073","MoKα","","0.0467","0.033","","0.0877","0.0814","","","","1.048","1.093","1.093","","","","","has coordinates,has disorder","179128","2020-10-21","18:00:00",""
"4309049","9.5844","0.0019","11.959","0.002","13.774","0.003","65.18","0.03","79.35","0.03","73.92","0.03","1372.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cr Mn N11 O3 -","- C24 H22 Cr Mn N11 O3 -","- C48 H44 Cr2 Mn2 N22 O6 -","2","1","","Yuan-Zhu Zhang; Song Gao; Zhe-Ming Wang; Gang Su; Hao-Ling Sun; Feng Pan","Rational Synthesis and Magnetic Properties of a Family of Low-Dimensional Heterometallic Cr-Mn Complexes Based on the Versatile Building Block [Cr(2,2'-bipyridine)(CN)4]-","Inorganic Chemistry","2005","44","","4534","4545","10.1021/ic0484194","","","0.71073","MoKα","","0.1553","0.0643","","","0.1182","0.1663","","","","","","1.008","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309050","7.9402","0.0001","15.2698","0.0003","12.7252","0.0003","90","","94.4183","0.0007","90","","1538.29","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1D-CrMn-bpy","","","- C28 H20 Cr2 Mn N12 O2 -","- C28 H20 Cr2 Mn N12 O2 -","- C56 H40 Cr4 Mn2 N24 O4 -","2","0.5","","Yuan-Zhu Zhang; Song Gao; Zhe-Ming Wang; Gang Su; Hao-Ling Sun; Feng Pan","Rational Synthesis and Magnetic Properties of a Family of Low-Dimensional Heterometallic Cr-Mn Complexes Based on the Versatile Building Block [Cr(2,2'-bipyridine)(CN)4]-","Inorganic Chemistry","2005","44","","4534","4545","10.1021/ic0484194","","","0.71073","MoKα","","0.0465","0.0289","","","0.0741","0.0788","","","","","","1.015","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309051","17.12","0.003","7.9897","0.0016","29.789","0.006","90","","90","","90","","4074.6","1.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","1D-Cr(bpy)Mn-bpy","","","- C38 H28 Cr2 Mn N14 O2 -","- C38 H26 Cr2 Mn N14 O2 -","- C152 H104 Cr8 Mn4 N56 O8 -","4","1","","Yuan-Zhu Zhang; Song Gao; Zhe-Ming Wang; Gang Su; Hao-Ling Sun; Feng Pan","Rational Synthesis and Magnetic Properties of a Family of Low-Dimensional Heterometallic Cr-Mn Complexes Based on the Versatile Building Block [Cr(2,2'-bipyridine)(CN)4]-","Inorganic Chemistry","2005","44","","4534","4545","10.1021/ic0484194","","","0.71073","MoKα","","0.0825","0.0402","","","0.0912","0.1014","","","","","","0.935","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309052","22.3706","0.0009","14.3757","0.0004","17.0226","0.0006","90","","104.802","0.0011","90","","5292.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Trinuclear-Cr2Mn","","","- C48 H44 Cr2 Mn N16 O5 -","- C48 H32 Cr2 Mn N16 O5 -","- C192 H128 Cr8 Mn4 N64 O20 -","4","1","","Yuan-Zhu Zhang; Song Gao; Zhe-Ming Wang; Gang Su; Hao-Ling Sun; Feng Pan","Rational Synthesis and Magnetic Properties of a Family of Low-Dimensional Heterometallic Cr-Mn Complexes Based on the Versatile Building Block [Cr(2,2'-bipyridine)(CN)4]-","Inorganic Chemistry","2005","44","","4534","4545","10.1021/ic0484194","","","0.71073","MoKα","","0.2319","0.0621","","","0.1265","0.169","","","","","","0.9","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309053","16.8628","0.0004","7.9593","0.0002","22.5123","0.0008","90","","109.439","0.0009","90","","2849.28","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CrMn-dca","","","- C26 H20 Cr Mn N11 O2 -","- C26 H20 Cr Mn N11 O2 -","- C104 H80 Cr4 Mn4 N44 O8 -","4","1","","Yuan-Zhu Zhang; Song Gao; Zhe-Ming Wang; Gang Su; Hao-Ling Sun; Feng Pan","Rational Synthesis and Magnetic Properties of a Family of Low-Dimensional Heterometallic Cr-Mn Complexes Based on the Versatile Building Block [Cr(2,2'-bipyridine)(CN)4]-","Inorganic Chemistry","2005","44","","4534","4545","10.1021/ic0484194","","","0.71073","MoKα","","0.1489","0.0463","","","0.1058","0.121","","","","","","0.914","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309054","8.3864","0.0003","10.8986","0.0003","12.9321","0.0004","102.014","0.0011","92.9851","0.0012","111.652","0.0011","1063.68","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Cr(bpy)Mn-N3","","","- C15 H18 Cr Mn N9 O4 -","- C15 H18 Cr Mn N9 O4 -","- C30 H36 Cr2 Mn2 N18 O8 -","2","1","","Yuan-Zhu Zhang; Song Gao; Zhe-Ming Wang; Gang Su; Hao-Ling Sun; Feng Pan","Rational Synthesis and Magnetic Properties of a Family of Low-Dimensional Heterometallic Cr-Mn Complexes Based on the Versatile Building Block [Cr(2,2'-bipyridine)(CN)4]-","Inorganic Chemistry","2005","44","","4534","4545","10.1021/ic0484194","","","0.71073","MoKα","","0.0958","0.037","","","0.0784","0.0881","","","","","","0.883","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309055","16.0571","0.0012","16.0628","0.0012","16.0614","0.0012","86.83","0.001","64.38","0.001","67.803","0.001","3429.4","0.4","293","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H36 Ba2 Cl12 N14 Nb6 O2 -","- C54 H33 Ba2 Cl12 N14 Nb6 O2 -","- C108 H66 Ba4 Cl24 N28 Nb12 O4 -","2","1","","Zhihua Yan; Cynthia S. Day; Abdessadek Lachgar","The First Coordination Polymers and Hydrogen Bonded Networks Containing Octahedral Nb6 Clusters and Alkaline Earth Metal Complexes","Inorganic Chemistry","2005","44","","4499","4505","10.1021/ic048453i","","","0.71073","MoKα","","0.0844","0.045","","","0.0777","0.0862","","","","","","0.956","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309056","11.5499","0.0006","17.5305","0.0008","21.7842","0.001","90","","100.877","0.001","90","","4331.5","0.4","296","2","296","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C69.2 H61 Ca2 Cl12 N16 Nb6 O7 -","- C69.184 H60.368 Ca2 Cl12 N16 Nb6 O7 -","- C138.368 H120.736 Ca4 Cl24 N32 Nb12 O14 -","2","1","","Zhihua Yan; Cynthia S. Day; Abdessadek Lachgar","The First Coordination Polymers and Hydrogen Bonded Networks Containing Octahedral Nb6 Clusters and Alkaline Earth Metal Complexes","Inorganic Chemistry","2005","44","","4499","4505","10.1021/ic048453i","","","0.71073","MoKα","","0.0696","0.0484","","","0.1062","0.1162","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309057","12.609","0.004","13.262","0.004","16.645","0.005","69.933","0.006","68.607","0.006","63.522","0.005","2264.7","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H64 Ca2 Cl12 N18 Nb6 O8 -","- C78 H64 Ca2 Cl12 N18 Nb6 O8 -","- C78 H64 Ca2 Cl12 N18 Nb6 O8 -","1","0.5","","Zhihua Yan; Cynthia S. Day; Abdessadek Lachgar","The First Coordination Polymers and Hydrogen Bonded Networks Containing Octahedral Nb6 Clusters and Alkaline Earth Metal Complexes","Inorganic Chemistry","2005","44","","4499","4505","10.1021/ic048453i","","","0.71073","MoKα","","0.0603","0.0501","","","0.0991","0.1025","","","","","","1.148","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309058","12.733","0.003","17.032","0.003","18.806","0.004","107.01","0.03","90.85","0.03","98.11","0.03","3854.2","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H42 Cl N2 O4 P2 Re -","- C36 H33 Cl N2 O4 P2 Re -","- C144 H132 Cl4 N8 O16 P8 Re4 -","4","2","","Marina Porchia; Francesco Tisato; Fiorenzo Refosco; Cristina Bolzati; Mario Cavazza-Ceccato; Giuliano Bandoli; Alessandro Dolmella","New Approach to the Chemistry of Technetium(V) and Rhenium(V) Phenylimido Complexes: Novel [M(NPh)PNP]3+ Metal Fragments (M = Tc, Re; PNP = Aminodiphosphine) Suitable for the Synthesis of Stable Mixed-Ligand Compounds","Inorganic Chemistry","2005","44","","4766","4776","10.1021/ic048486y","","","0.71073","MoKα","","0.1277","0.0638","","","0.1346","0.158","","","","","","0.822","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309059","15.081","0.003","12.146","0.002","20.418","0.004","90","","107.05","0.03","90","","3575.7","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H35 Cl4 N2 P2 Re -","- C34.5 H35 Cl4 N2 P2 Re -","- C138 H140 Cl16 N8 P8 Re4 -","4","1","","Marina Porchia; Francesco Tisato; Fiorenzo Refosco; Cristina Bolzati; Mario Cavazza-Ceccato; Giuliano Bandoli; Alessandro Dolmella","New Approach to the Chemistry of Technetium(V) and Rhenium(V) Phenylimido Complexes: Novel [M(NPh)PNP]3+ Metal Fragments (M = Tc, Re; PNP = Aminodiphosphine) Suitable for the Synthesis of Stable Mixed-Ligand Compounds","Inorganic Chemistry","2005","44","","4766","4776","10.1021/ic048486y","","","0.71073","MoKα","","0.1257","0.043","","","0.0612","0.081","","","","","","0.702","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309060","15.106","0.003","12.117","0.002","20.481","0.004","90","","107.25","0.03","90","","3580.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H35 Cl4 N2 P2 Tc -","- C34.5 H35 Cl4 N2 P2 Tc -","- C138 H140 Cl16 N8 P8 Tc4 -","4","1","","Marina Porchia; Francesco Tisato; Fiorenzo Refosco; Cristina Bolzati; Mario Cavazza-Ceccato; Giuliano Bandoli; Alessandro Dolmella","New Approach to the Chemistry of Technetium(V) and Rhenium(V) Phenylimido Complexes: Novel [M(NPh)PNP]3+ Metal Fragments (M = Tc, Re; PNP = Aminodiphosphine) Suitable for the Synthesis of Stable Mixed-Ligand Compounds","Inorganic Chemistry","2005","44","","4766","4776","10.1021/ic048486y","","","0.71073","MoKα","","0.1382","0.0583","","","0.1212","0.1558","","","","","","0.879","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309061","11.752","0.002","12.519","0.003","15.482","0.003","75.97","0.03","68.9","0.03","64.96","0.03","1914.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H39 Cl2 N2 O P2 Re -","- C36 H39 Cl2 N2 O P2 Re -","- C72 H78 Cl4 N4 O2 P4 Re2 -","2","1","","Marina Porchia; Francesco Tisato; Fiorenzo Refosco; Cristina Bolzati; Mario Cavazza-Ceccato; Giuliano Bandoli; Alessandro Dolmella","New Approach to the Chemistry of Technetium(V) and Rhenium(V) Phenylimido Complexes: Novel [M(NPh)PNP]3+ Metal Fragments (M = Tc, Re; PNP = Aminodiphosphine) Suitable for the Synthesis of Stable Mixed-Ligand Compounds","Inorganic Chemistry","2005","44","","4766","4776","10.1021/ic048486y","","","0.71073","MoKα","","0.0577","0.0415","","","0.0944","0.0995","","","","","","0.886","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309062","34.801","0.007","24.782","0.005","10.671","0.002","90","","103.84","0.03","90","","8936","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 Cl N2 O4 P2 Re -","- C40 H33 Cl N2 O4 P2 Re -","- C320 H264 Cl8 N16 O32 P16 Re8 -","8","1","","Marina Porchia; Francesco Tisato; Fiorenzo Refosco; Cristina Bolzati; Mario Cavazza-Ceccato; Giuliano Bandoli; Alessandro Dolmella","New Approach to the Chemistry of Technetium(V) and Rhenium(V) Phenylimido Complexes: Novel [M(NPh)PNP]3+ Metal Fragments (M = Tc, Re; PNP = Aminodiphosphine) Suitable for the Synthesis of Stable Mixed-Ligand Compounds","Inorganic Chemistry","2005","44","","4766","4776","10.1021/ic048486y","","","0.71073","MoKα","","0.2282","0.0596","","","0.1102","0.1706","","","","","","0.82","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309063","11.493","0.004","17.003","0.005","21.177","0.006","90","","102.756","0.005","90","","4036","2","123.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 Cl F12 Ir N9 P2 -","- C35 H25 Cl F12 Ir N9 P2 -","- C140 H100 Cl4 F48 Ir4 N36 P8 -","4","1","","Tomona Yutaka; Shinya Obara; Satoshi Ogawa; Koichi Nozaki; Noriaki Ikeda; Takeshi Ohno; Youichi Ishii; Ken Sakai; Masa-aki Haga","Syntheses and Properties of Emissive Iridium(III) Complexes with Tridentate Benzimidazole Derivatives","Inorganic Chemistry","2005","44","","4737","4746","10.1021/ic048622z","","","0.7107","MoKα","","","0.045","","","","0.085","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309064","17.204","0.005","20.227","0.006","21.092","0.006","90","","94.187","0.004","90","","7320","4","123.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C93 H77 B2 Ir N10 -","- C93 H77 B2 Ir N10 -","- C372 H308 B8 Ir4 N40 -","4","1","","Tomona Yutaka; Shinya Obara; Satoshi Ogawa; Koichi Nozaki; Noriaki Ikeda; Takeshi Ohno; Youichi Ishii; Ken Sakai; Masa-aki Haga","Syntheses and Properties of Emissive Iridium(III) Complexes with Tridentate Benzimidazole Derivatives","Inorganic Chemistry","2005","44","","4737","4746","10.1021/ic048622z","","","0.7107","MoKα","","","0.036","","","","0.112","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309065","15.2218","0.0012","19.3547","0.0016","18.8514","0.0015","90","","91.368","0.002","90","","5552.3","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H43 F18 Ir N13 P3 -","- C48 H43 F18 Ir N13 P3 -","- C192 H172 F72 Ir4 N52 P12 -","4","1","","Tomona Yutaka; Shinya Obara; Satoshi Ogawa; Koichi Nozaki; Noriaki Ikeda; Takeshi Ohno; Youichi Ishii; Ken Sakai; Masa-aki Haga","Syntheses and Properties of Emissive Iridium(III) Complexes with Tridentate Benzimidazole Derivatives","Inorganic Chemistry","2005","44","","4737","4746","10.1021/ic048622z","","","0.71073","MoKα","","0.0515","0.0343","","","0.0859","0.0967","","","","","","1.023","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309066","12.1883","0.0013","13.596","0.001","12.9392","0.0013","90","","115.881","0.011","90","","1929.1","0.4","173","","173","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C29 H27 Cd2 I4 N3 O6 -","- C29 H27 Cd2 I4 N3 O6 -","- C58 H54 Cd4 I8 N6 O12 -","2","1","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Enantiomerically Pure Pentagonal-Bipyramidal Metal Complexes with Predetermined Helicity in the Solid and Solution States","Inorganic Chemistry","2005","44","","4630","4636","10.1021/ic050014b","","","0.71073","MoKα","","0.0307","0.0295","","","0.0764","0.077","","","","","","1.029","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309067","8.2616","0.0007","14.0004","0.001","30.79","0.002","90","","90","","90","","3561.3","0.5","173","","173","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Cl2 Fe N3 O15 -","- C31 H39 Cl2 Fe N3 O15 -","- C124 H156 Cl8 Fe4 N12 O60 -","4","1","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Enantiomerically Pure Pentagonal-Bipyramidal Metal Complexes with Predetermined Helicity in the Solid and Solution States","Inorganic Chemistry","2005","44","","4630","4636","10.1021/ic050014b","","","0.71073","MoKα","","0.0723","0.0443","","","0.0884","0.0963","","","","","","0.883","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309068","8.614","0.0013","19.322","0.002","10.8199","0.0019","90","","107.088","0.019","90","","1721.4","0.5","173","","173","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C27 H27 Cd Cl2 N3 O14 -","- C27 H27 Cd Cl2 N3 O14 -","- C54 H54 Cd2 Cl4 N6 O28 -","2","1","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Enantiomerically Pure Pentagonal-Bipyramidal Metal Complexes with Predetermined Helicity in the Solid and Solution States","Inorganic Chemistry","2005","44","","4630","4636","10.1021/ic050014b","","","0.71073","MoKα","","0.1179","0.0937","","","0.2477","0.2658","","","","","","0.978","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309069","8.6129","0.0008","19.3622","0.0011","20.792","0.002","90","","96.846","0.011","90","","3442.6","0.5","173","","173","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C27 H33 Cl2 Mg N3 O15 -","- C27 H31 Cl2 Mg N3 O14 -","- C108 H124 Cl8 Mg4 N12 O56 -","4","2","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Enantiomerically Pure Pentagonal-Bipyramidal Metal Complexes with Predetermined Helicity in the Solid and Solution States","Inorganic Chemistry","2005","44","","4630","4636","10.1021/ic050014b","","","0.71073","MoKα","","0.1197","0.0605","","","0.1209","0.1359","","","","","","0.743","","","","has coordinates","189197","2020-10-21","18:00:00",""
"4309070","6.6633","0.0005","12.971","0.0011","14.1613","0.0012","70.127","0.001","88.428","0.001","76.473","0.001","1117.32","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H26 Mn3 N6 Na2 O14 -","- C48 H26 Mn3 N6 Na2 O14 -","- C48 H26 Mn3 N6 Na2 O14 -","1","0.5","","Jin-Tang Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Tan Yuen; C. L. Lin; Princy Varughese; Jing Li","A Three-Dimensional Coordination Polymer Featuring Effective Ferrimagnetic Hydroxide-Bridged Manganese(II) Chains","Inorganic Chemistry","2005","44","","4448","4450","10.1021/ic050043m","","","0.71073","MoKα","","0.0864","0.0679","","","0.1542","0.1653","","","","","","1.081","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309071","14.6176","0.0012","11.1221","0.001","19.5013","0.0017","90","","100.283","0.002","90","","3119.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-(2-tert-butylphenolato){hydrotris(3-isopropyl- pyrazol-1-yl)borato}dioxomolybdenum(VI)","","- C28 H41 B Mo N6 O3 -","- C28 H41 B Mo N6 O3 -","- C112 H164 B4 Mo4 N24 O12 -","4","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.1168","0.0493","","","0.0629","0.074","","","","","","0.681","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309072","8.2162","0.0006","19.5964","0.0014","38.418","0.003","90","","90","","90","","6185.6","0.8","566","2","566","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-(2-sec-butylphenolato){hydrotris(3-isopropyl- pyrazol-1-yl)borato}dioxomolybdenum(VI)","","- C28 H41 B Mo N6 O3 -","- C28 H32 B Mo N6 O3 -","- C224 H256 B8 Mo8 N48 O24 -","8","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.1448","0.0651","","","0.1458","0.1773","","","","","","0.964","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309073","10.8","0.004","17.992","0.006","29.635","0.01","90","","90","","90","","5758","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-(2,6-dimethylphenolato){hydrotris(3-isopropyl- pyrazol-1-yl)borato}dioxomolybdenum(VI)","","- C26 H37 B Mo N6 O3 -","- C26 H37 B Mo N6 O3 -","- C208 H296 B8 Mo8 N48 O24 -","8","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.102","0.0815","","","0.1561","0.1644","","","","","","1.26","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309074","11.2017","0.0008","15.8302","0.0012","16.8147","0.0012","90","","100.139","0.001","90","","2935.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-{hydrotris(3-isopropylpyrazol-1-yl)borato}- (1-naphtholato)dioxomolybdenum(VI)","","- C28 H35 B Mo N6 O3 -","- C28 H35 B Mo N6 O3 -","- C112 H140 B4 Mo4 N24 O12 -","4","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.0769","0.0468","","","0.0981","0.1065","","","","","","0.952","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309075","8.8614","0.0013","36.061","0.005","10.1029","0.0015","90","","96.254","0.003","90","","3209.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-(3-tert-butylphenolato){hydrotris(3-isopropyl- pyrazol-1-yl)borato}dioxomolybdenum(VI)","","- C28 H41 B Mo N6 O3 -","- C28 H41 B Mo N6 O3 -","- C112 H164 B4 Mo4 N24 O12 -","4","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.0898","0.0491","","","0.0977","0.1235","","","","","","0.9","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309076","16.929","0.004","17.526","0.005","12.051","0.003","90","","90","","90","","3575.5","1.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","cis-(3,5-di-tert-butylphenolato){hydrotris(3-isopropyl- pyrazol-1-yl)borato}dioxomolybdenum(VI)","","- C32 H49 B Mo N6 O3 -","- C32 H49 B Mo N6 O3 -","- C128 H196 B4 Mo4 N24 O12 -","4","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.0388","0.0379","","","0.0972","0.0983","","","","","","1.016","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309077","12.6654","0.001","7.678","0.0006","15.3752","0.0013","90","","99.593","0.002","90","","1474.3","0.2","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","cis-{hydrotris(3-isopropylpyrazol-1-yl)borato}- (2-naphtholato)dioxomolybdenum(VI)","","- C28 H35 B Mo N6 O3 -","- C28 H35 B Mo N6 O3 -","- C56 H70 B2 Mo2 N12 O6 -","2","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.0526","0.0398","","","0.0779","0.0817","","","","","","0.883","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309078","44.685","0.003","9.5365","0.0007","15.4123","0.0011","90","","90","","90","","6567.8","0.8","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","cis-{hydrotris(3-isopropyl-pyrazol-1- yl)borato}dioxo(4-phenylphenolato)molybdenum(VI) dichloromethane hemisolvate","","- C30.5 H37 B Cl Mo N6 O3 -","- C30.5 H37 B Cl Mo N6 O3 -","- C244 H296 B8 Cl8 Mo8 N48 O24 -","8","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.0611","0.0571","","","0.1463","0.148","","","","","","1.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309079","24.243","0.0002","19.2287","0.0001","34.7743","0.0003","90","","92.938","0.001","90","","16189.1","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C157.4 H134.8 Ag4 Cl9.4 F12 O20 P4 -","- C157.4 H134.8 Ag4 Cl9.4 F12 O20 P4 -","- C629.6 H539.2 Ag16 Cl37.6 F48 O80 P16 -","4","1","","Dana J. Eisler; Richard J. Puddephatt","Tetraphosphinite Resorcinarene Complexes: Silver(I) Capsule Complexes","Inorganic Chemistry","2005","44","","4666","4678","10.1021/ic050095b","","","0.71073","MoKα","","0.1127","0.0783","","","0.2242","0.2537","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309080","21.4642","0.0001","21.7091","0.0002","23.3969","0.0002","103.815","0.001","109.389","0.001","112.277","0.001","8646.2","0.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C292.2 H232 Ag10 Cl4.4 F30 O60 P8 S10 -","- C292.2 H232 Ag10 Cl4.4 F30 O60 P8 S10 -","- C292.2 H232 Ag10 Cl4.4 F30 O60 P8 S10 -","1","0.5","","Dana J. Eisler; Richard J. Puddephatt","Tetraphosphinite Resorcinarene Complexes: Silver(I) Capsule Complexes","Inorganic Chemistry","2005","44","","4666","4678","10.1021/ic050095b","","","0.71073","MoKα","","0.1042","0.083","","","0.2585","0.2863","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309081","20.469","0.004","22.714","0.005","23.171","0.005","110.62","0.03","101.14","0.03","111.42","0.03","8723","6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C290 H248 Ag10 Cl24 F30 O62 P8 S18 -","- C290 H248 Ag10 Cl24 F30 O62 P8 S18 -","- C290 H248 Ag10 Cl24 F30 O62 P8 S18 -","1","0.5","","Dana J. Eisler; Richard J. Puddephatt","Tetraphosphinite Resorcinarene Complexes: Silver(I) Capsule Complexes","Inorganic Chemistry","2005","44","","4666","4678","10.1021/ic050095b","","","0.71073","MoKα","","0.1104","0.0685","","","0.1935","0.2228","","","","","","1.014","","","","has coordinates,has disorder","179128","2020-10-21","18:00:00",""
"4309082","24.366","0.0002","23.569","0.0002","30.1051","0.0002","90","","101.929","0.003","90","","16915.5","0.3","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C295 H284 Ag13 Cl10 F39 O71 P8 S13 -","- C295 H284 Ag13 Cl10 F39 O71 P8 S13 -","- C590 H568 Ag26 Cl20 F78 O142 P16 S26 -","2","0.5","","Dana J. Eisler; Richard J. Puddephatt","Tetraphosphinite Resorcinarene Complexes: Silver(I) Capsule Complexes","Inorganic Chemistry","2005","44","","4666","4678","10.1021/ic050095b","","","0.71073","MoKα","","0.1336","0.0874","","","0.2547","0.2913","","","","","","1.063","","","","has coordinates,has disorder","179128","2020-10-21","18:00:00",""
"4309083","10.069","0.002","8.0875","0.0016","10.598","0.002","90","","94.71","0.03","90","","860.1","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H18 Al2 N3 O12 P3 -","- C6 H18 Al2 N3 O12 P3 -","- C12 H36 Al4 N6 O24 P6 -","2","1","","Mei Wang; Ji-yang Li; Ji-hong Yu; Qin-he Pan; Xiao-wei Song; Ru-ren Xu","Assembly of Helical Hydrogen Bonds in a New Layered Aluminophosphate [C6N3H17][Al2(HPO4)(PO4)2]","Inorganic Chemistry","2005","44","","4604","4607","10.1021/ic050124i","","","0.71073","MoKα","","0.0352","0.0325","","","0.0791","0.0807","","","","","","1.036","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4309084","33.048","0.005","9.4327","0.0013","24.01","0.003","90","","112.513","0.002","90","","6914.3","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 Cl Cu2 N4 Na3 O21 -","- C22 H30 Cl Cu2 N4 Na3 O21 -","- C176 H240 Cl8 Cu16 N32 Na24 O168 -","8","1","","Xing-Qiang Lü; Ji-Jun Jiang; Chun-Long Chen; Bei-Sheng Kang; Cheng-Yong Su","3D Coordination Polymers with Nitrilotriacetic and 4,4'-Bipyridyl Mixed Ligands: Structural Variation Based on Dinuclear or Tetranuclear Subunits Assisted by Na-O and/or O-H...O Interactions","Inorganic Chemistry","2005","44","","4515","4521","10.1021/ic050125a","","","0.71073","MoKα","","0.0539","0.0436","","","0.1172","0.1234","","","","","","1.042","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309085","11.285","0.003","18.167","0.005","16.144","0.004","90","","106.753","0.005","90","","3169.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Cl Cu2 N5 O14 -","- C26 H30 Cl Cu2 N5 O14 -","- C104 H120 Cl4 Cu8 N20 O56 -","4","1","","Xing-Qiang Lü; Ji-Jun Jiang; Chun-Long Chen; Bei-Sheng Kang; Cheng-Yong Su","3D Coordination Polymers with Nitrilotriacetic and 4,4'-Bipyridyl Mixed Ligands: Structural Variation Based on Dinuclear or Tetranuclear Subunits Assisted by Na-O and/or O-H...O Interactions","Inorganic Chemistry","2005","44","","4515","4521","10.1021/ic050125a","","","0.71073","MoKα","","0.0492","0.0365","","","0.0973","0.106","","","","","","1.029","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309086","10.454","0.002","14.45","0.004","20.164","0.004","95.81","0.03","97.36","0.03","110.75","0.03","2789.4","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","5,10,15,20-tetra(phenylethynyl)porphyrin dication","","- C61.73 H35.27 Cl0.54 F14.2 N4 O9.46 -","- C61.732 H35.268 Cl0.536 F14.196 N4 O9.464 -","- C123.464 H70.536 Cl1.072 F28.392 N8 O18.928 -","2","1","","Anna Berlicka; Lechosław Latos-Grażyński; Tadeusz Lis","1H NMR Investigation of High-Spin and Low-Spin Iron(III)meso-Ethynylporphyrins","Inorganic Chemistry","2005","44","","4522","4533","10.1021/ic050158q","","","0.71073","MoKα","","0.0891","0.0577","","","0.1468","0.1685","","","","","","1.085","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309087","15.092","0.003","13.529","0.003","18.244","0.003","90","","104.54","0.03","90","","3605.8","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-bis-[10,15,20-tri(p-tolyl)porphyrin-5-yl]-1,3-butadiyne","","- C94 H74 N8 O2 Zn2 -","- C94 H74 N8 O2 Zn2 -","- C188 H148 N16 O4 Zn4 -","2","0.5","","Anna Berlicka; Lechosław Latos-Grażyński; Tadeusz Lis","1H NMR Investigation of High-Spin and Low-Spin Iron(III)meso-Ethynylporphyrins","Inorganic Chemistry","2005","44","","4522","4533","10.1021/ic050158q","","","0.71073","MoKα","","0.0947","0.0575","","","0.1401","0.1539","","","","","","1.028","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309088","11.854","0.002","14.723","0.003","15.382","0.003","114.33","0.03","101.89","0.03","100.11","0.03","2289.3","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H34 Cl Fe Mn N10 O4 -","- C45 H34 Cl Fe Mn N10 O4 -","- C90 H68 Cl2 Fe2 Mn2 N20 O8 -","2","1","","Zhong-Hai Ni; Hui-Zhong Kou; Lei Zheng; Yi-Hua Zhao; Li-Fang Zhang; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","Assembly of Azido- or Cyano-Bridged Binuclear Complexes Containing the Bulky [Mn(phen)2]2+ Building Block: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","4728","4736","10.1021/ic050181b","","","0.71073","MoKα","","0.0516","0.0436","","","0.0964","0.0988","","","","","","1.031","","","","has coordinates","288539","2023-12-24","00:56:28",""
"4309089","11.822","0.002","13.544","0.003","15.676","0.003","114.15","0.03","93.89","0.03","102.83","0.03","2197.3","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H32 Cl Cr Mn N10 O4 -","- C44 H29 Cl Cr Mn N10 O4 -","- C88 H58 Cl2 Cr2 Mn2 N20 O8 -","2","1","","Zhong-Hai Ni; Hui-Zhong Kou; Lei Zheng; Yi-Hua Zhao; Li-Fang Zhang; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","Assembly of Azido- or Cyano-Bridged Binuclear Complexes Containing the Bulky [Mn(phen)2]2+ Building Block: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","4728","4736","10.1021/ic050181b","","","0.71073","MoKα","","0.1749","0.1226","","","0.2219","0.2386","","","","","","1.089","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309090","14.605","0.003","10.919","0.002","26.367","0.005","90","","94.89","0.03","90","","4189.5","1.4","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C88 H58 Fe2 Mn2 N26 O5 -","- C88 H58 Fe2 Mn2 N26 O5 -","- C176 H116 Fe4 Mn4 N52 O10 -","2","0.5","","Zhong-Hai Ni; Hui-Zhong Kou; Lei Zheng; Yi-Hua Zhao; Li-Fang Zhang; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","Assembly of Azido- or Cyano-Bridged Binuclear Complexes Containing the Bulky [Mn(phen)2]2+ Building Block: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","4728","4736","10.1021/ic050181b","","","0.71073","MoKα","","0.0935","0.0813","","","0.1884","0.1956","","","","","","1.078","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309091","14.2046","0.0014","10.6938","0.001","26.233","0.002","90","","95.909","0.002","90","","3963.7","0.6","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C88 H58 Cr2 Mn2 N26 O5 -","- C88 H58 Cr2 Mn2 N26 O5 -","- C176 H116 Cr4 Mn4 N52 O10 -","2","0.5","","Zhong-Hai Ni; Hui-Zhong Kou; Lei Zheng; Yi-Hua Zhao; Li-Fang Zhang; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","Assembly of Azido- or Cyano-Bridged Binuclear Complexes Containing the Bulky [Mn(phen)2]2+ Building Block: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","4728","4736","10.1021/ic050181b","","","0.71073","MoKα","","0.135","0.062","","","0.1119","0.1318","","","","","","1.041","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309092","14.1837","0.0019","10.5486","0.0014","26.02","0.003","90","","95.632","0.005","90","","3874.3","0.9","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C88 H58 Co2 Mn2 N26 O5 -","- C88 H58 Co2 Mn2 N26 O5 -","- C176 H116 Co4 Mn4 N52 O10 -","2","0.5","","Zhong-Hai Ni; Hui-Zhong Kou; Lei Zheng; Yi-Hua Zhao; Li-Fang Zhang; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","Assembly of Azido- or Cyano-Bridged Binuclear Complexes Containing the Bulky [Mn(phen)2]2+ Building Block: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","4728","4736","10.1021/ic050181b","","","0.71073","MoKα","","0.1231","0.084","","","0.1725","0.185","","","","","","0.955","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309093","13.378","0.003","13.406","0.003","18.851","0.004","88.99","0.03","72.64","0.03","81.04","0.03","3186","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H53 B Mn2 N17 O0.5 -","- C72 H52 B Mn2 N17 O0.5 -","- C144 H104 B2 Mn4 N34 O -","2","1","","Zhong-Hai Ni; Hui-Zhong Kou; Lei Zheng; Yi-Hua Zhao; Li-Fang Zhang; Ru-Ji Wang; Ai-Li Cui; Osamu Sato","Assembly of Azido- or Cyano-Bridged Binuclear Complexes Containing the Bulky [Mn(phen)2]2+ Building Block: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","4728","4736","10.1021/ic050181b","","","0.71073","MoKα","","0.1835","0.094","","","0.1478","0.1688","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309094","34.1607","0.0004","12.1161","0.0001","21.5496","0.0003","90","","107.859","0.001","90","","8489.48","0.18","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(bpym)[Cu(P(m-tolyl)3)2]2(BF4)2","[(2,2bipyrimidin)dicopper-bis-tri-meta-tolyl) di-tetrafluoroborat","","- C92 H90 B2 Cu2 F8 N4 P4 -","- C92 B2 Cu2 F8 N4 P4 -","- C368 B8 Cu8 F32 N16 P16 -","4","0.5","","Monika Sieger; Conny Vogler; Axel Klein; Axel Knödler; Matthias Wanner; Jan Fiedler; Stanislav Záliš; Theo L. Snoeck; Wolfgang Kaim","Geometrical and Electronic Structures of Dinuclear Complex Ions {(μ-bpym)[Cu(EAr3)2]2}2+ with Intramolecular ""Organic Sandwich"" Formation (E = P or As; Ar = Aryl; bpym = 2,2'-Bipyrimidine)","Inorganic Chemistry","2005","44","","4637","4643","10.1021/ic050207z","","","0.71073","MoKα","","0.0874","0.0714","","","0.1997","0.2144","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309095","11.875","0.002","12.704","0.003","14.941","0.003","64.9","0.03","71.89","0.03","74.6","0.03","1916.5","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","(m-2,2bpym)[Cu(AsPh3)2]2(BF4)2","[(m-2,2bipyrimidin)dicopper-bis-triphenylarsin]di-terafluoroborat","","- C80 H70 As4 B2 Cu2 F8 N4 O2 -","- C80 H70 As4 B2 Cu2 F8 N4 O0.578 -","- C80 H70 As4 B2 Cu2 F8 N4 O0.578 -","1","0.5","","Monika Sieger; Conny Vogler; Axel Klein; Axel Knödler; Matthias Wanner; Jan Fiedler; Stanislav Záliš; Theo L. Snoeck; Wolfgang Kaim","Geometrical and Electronic Structures of Dinuclear Complex Ions {(μ-bpym)[Cu(EAr3)2]2}2+ with Intramolecular ""Organic Sandwich"" Formation (E = P or As; Ar = Aryl; bpym = 2,2'-Bipyrimidine)","Inorganic Chemistry","2005","44","","4637","4643","10.1021/ic050207z","","","0.71073","MoKα","","0.0905","0.0525","","","0.109","0.1272","","","","","","1.036","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309096","9.342","0.004","9.889","0.004","10.512","0.004","68.978","0.006","78.217","0.006","81.851","0.007","884.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Ag Cl N4 O6 -","- C16 H10 Ag Cl N4 O6 -","- C32 H20 Ag2 Cl2 N8 O12 -","2","1","","Yu-Bin Dong; Hai-Ying Wang; Jian-Ping Ma; Da-Zhong Shen; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers Generated from Bent Bis(Cyanophenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","4679","4692","10.1021/ic050218s","","","0.71073","MoKα","","0.0565","0.0512","","","0.1379","0.1435","","","","","","1.074","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309097","7.559","0.002","23.739","0.006","10.426","0.003","90","","108.071","0.004","90","","1778.6","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H8 Ag F3 N4 O4 S -","- C17 H8 Ag F3 N4 O4 S -","- C68 H32 Ag4 F12 N16 O16 S4 -","4","1","","Yu-Bin Dong; Hai-Ying Wang; Jian-Ping Ma; Da-Zhong Shen; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers Generated from Bent Bis(Cyanophenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","4679","4692","10.1021/ic050218s","","","0.71073","MoKα","","0.0951","0.074","","","0.176","0.1883","","","","","","1.083","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309098","7.498","0.003","10.649","0.004","13.673","0.005","98.602","0.005","100.004","0.005","110.232","0.005","982.5","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H13 Ag B F4 N4 O2 -","- C19 H13 Ag B F4 N4 O2 -","- C38 H26 Ag2 B2 F8 N8 O4 -","2","1","","Yu-Bin Dong; Hai-Ying Wang; Jian-Ping Ma; Da-Zhong Shen; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers Generated from Bent Bis(Cyanophenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","4679","4692","10.1021/ic050218s","","","0.71073","MoKα","","0.0915","0.059","","","0.1527","0.1663","","","","","","1","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309099","8.2621","0.0009","10.6127","0.0012","13.3685","0.0015","98.012","0.002","106.259","0.002","112.362","0.002","999.97","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 Ag F6 N4 O2 Sb -","- C16 H10 Ag F6 N4 O2 Sb -","- C32 H20 Ag2 F12 N8 O4 Sb2 -","2","1","","Yu-Bin Dong; Hai-Ying Wang; Jian-Ping Ma; Da-Zhong Shen; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers Generated from Bent Bis(Cyanophenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","4679","4692","10.1021/ic050218s","","","0.71073","MoKα","","0.0538","0.0478","","","0.1254","0.1303","","","","","","1.035","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309100","10.713","0.004","13.449","0.005","15.423","0.005","65.908","0.005","74.231","0.005","83.255","0.005","1952.2","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H18 Ag2 F6 N8 O9 S2 -","- C34 H18 Ag2 F6 N8 O9 S2 -","- C68 H36 Ag4 F12 N16 O18 S4 -","2","1","","Yu-Bin Dong; Hai-Ying Wang; Jian-Ping Ma; Da-Zhong Shen; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers Generated from Bent Bis(Cyanophenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","4679","4692","10.1021/ic050218s","","","0.71073","MoKα","","0.0717","0.054","","","0.127","0.1371","","","","","","1.026","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309101","6.9681","0.0017","20.627","0.005","17.437","0.004","90","","95.88","0.004","90","","2493.1","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Ag2 Cl2 N4 O9 -","- C22 H14 Ag2 Cl2 N4 O9 -","- C88 H56 Ag8 Cl8 N16 O36 -","4","1","","Yu-Bin Dong; Hai-Ying Wang; Jian-Ping Ma; Da-Zhong Shen; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers Generated from Bent Bis(Cyanophenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","4679","4692","10.1021/ic050218s","","","0.71073","MoKα","","0.1147","0.0646","","","0.1183","0.1367","","","","","","1.025","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309102","7.956","0.002","9.938","0.003","14.242","0.004","106.191","0.004","97.322","0.004","107.392","0.004","1004.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Ag2 N4 O9 P2 -","- C16 H12 Ag2 N4 O9 P2 -","- C32 H24 Ag4 N8 O18 P4 -","2","1","","Yu-Bin Dong; Hai-Ying Wang; Jian-Ping Ma; Da-Zhong Shen; Ru-Qi Huang","Synthesis and Characterization of New Coordination Polymers Generated from Bent Bis(Cyanophenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","4679","4692","10.1021/ic050218s","","","0.71073","MoKα","","0.0995","0.0775","","","0.1648","0.1796","","","","","","1.04","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309103","9.4958","0.0019","14.668","0.003","16.946","0.003","90","","101.19","0.03","90","","2315.4","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Ce I3 N4 -","- C18 H18 Ce I3 N4 -","- C72 H72 Ce4 I12 N16 -","4","1","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.0364","0.034","","","0.0882","0.0899","","","","","","1.064","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309104","12.041","0.002","18.151","0.004","22.217","0.004","90","","90","","90","","4855.7","1.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 I3 La N11 -","- C42 H45 I3 La N11 -","- C168 H180 I12 La4 N44 -","4","1","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.0809","0.0638","","","0.1466","0.1544","","","","","","1.052","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309105","12.004","0.002","18.072","0.004","22.267","0.005","90","","90","","90","","4830.5","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 Ce I3 N11 -","- C42 H45 Ce I3 N11 -","- C168 H180 Ce4 I12 N44 -","4","1","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.0341","0.0308","","","0.0587","0.0595","","","","","","1.142","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309106","11.945","0.002","17.952","0.004","22.335","0.005","90","","90","","90","","4789.4","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 I3 N11 Nd -","- C42 H45 I3 N11 Nd -","- C168 H180 I12 N44 Nd4 -","4","1","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.0508","0.0461","","","0.0934","0.0949","","","","","","1.15","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309107","11.909","0.002","17.745","0.004","22.51","0.005","90","","90","","90","","4756.9","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 I3 Lu N11 -","- C42 H45 I3 Lu N11 -","- C168 H180 I12 Lu4 N44 -","4","1","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.0292","0.0259","","","0.0577","0.0589","","","","","","1.069","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309108","19.057","0.003","21.469","0.004","23.605","0.004","90","","90.065","0.003","90","","9658","3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37.65 Eu F9 N8.5 O9.08 S3 -","- C40 H37.5 Eu F9 N8.5 O9.0765 S3 -","- C320 H300 Eu8 F72 N68 O72.612 S24 -","8","2","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.0358","0.0283","","","0.0644","0.0676","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309109","10.4864","0.0014","11.584","0.0016","13.948","0.002","74.694","0.003","88.535","0.002","76.139","0.002","1585.4","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H22 Eu F9 N4 O11 S3 -","- C21 H22 Eu F9 N4 O11 S3 -","- C42 H44 Eu2 F18 N8 O22 S6 -","2","1","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.023","0.021","","","0.0501","0.052","","","","","","1.068","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309110","10.168","0.002","10.759","0.002","13.117","0.003","101.038","0.003","101.996","0.003","106.494","0.003","1297","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H38 Eu2 F12 N8 O14 S4 -","- C40 H38 Eu2 F12 N8 O14 S4 -","- C40 H38 Eu2 F12 N8 O14 S4 -","1","0.5","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.0209","0.0204","","","0.0551","0.0554","","","","","","1.064","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309111","15.058","0.009","12.077","0.007","15.88","0.009","90","","102.835","0.009","90","","2816","3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Ce I2 N6 O2 -","- C22 H27 Ce I2 N6 O2 -","- C88 H108 Ce4 I8 N24 O8 -","4","1","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.0736","0.0673","","","0.1783","0.1835","","","","","","1.045","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309112","9.646","0.003","9.685","0.003","15.689","0.005","90","","90","","90","","1465.7","0.8","238","2","238","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 Sn -","- C16 H20 N2 Sn -","- C64 H80 N8 Sn4 -","4","1","","Patrick Bazinet; Glenn P. A. Yap; Gino A. DiLabio; Darrin S. Richeson","Synthesis and Molecular and Extended Structures for a Diaminonaphthalene-Derived Bis(amido)stannylene","Inorganic Chemistry","2005","44","","4616","4621","10.1021/ic050238u","","","0.71073","MoKα","","0.1798","0.0596","","","0.1088","0.1293","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309113","9.445","0.005","18.168","0.008","19.349","0.007","90","","99.27","0.03","90","","3277","3","236","2","236","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Li2 N2 O4 -","- C32 H52 Li2 N2 O4 -","- C128 H208 Li8 N8 O16 -","4","1","","Patrick Bazinet; Glenn P. A. Yap; Gino A. DiLabio; Darrin S. Richeson","Synthesis and Molecular and Extended Structures for a Diaminonaphthalene-Derived Bis(amido)stannylene","Inorganic Chemistry","2005","44","","4616","4621","10.1021/ic050238u","","","0.71073","MoKα","","0.1171","0.0731","","","0.2058","0.2312","","","","","","1.01","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309114","12.058","0.002","12.234","0.002","13.187","0.002","111.542","0.003","94.241","0.005","103.08","0.004","1735.8","0.5","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H33 N Ni O6 S10 -","- C25 H33 N Ni O6 S10 -","- C50 H66 N2 Ni2 O12 S20 -","2","1","","Tomoyuki Akutagawa; Kazumasa Matsuura; Asako Hashimoto; Takayoshi Nakamura","Magnetism of [Ni(dmit)2] Salts with [Meso- and (1S, 2S)-Diphenyl-1,2-Ethanediammonium]([18]crown-6)2 Supramolecular Cations","Inorganic Chemistry","2005","44","","4454","4456","10.1021/ic050241d","","","0.7107","MoKα","","","0.05","","","","0.084","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309115","15.729","0.003","16.03","0.003","17.204","0.005","96.66","0.01","93.658","0.001","118.535","0.008","3749.6","1.5","100.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C106 H132 N4 Ni5 O24 S50 -","- C106 H132 N4 Ni5 O24 S50 -","- C106 H132 N4 Ni5 O24 S50 -","1","1","","Tomoyuki Akutagawa; Kazumasa Matsuura; Asako Hashimoto; Takayoshi Nakamura","Magnetism of [Ni(dmit)2] Salts with [Meso- and (1S, 2S)-Diphenyl-1,2-Ethanediammonium]([18]crown-6)2 Supramolecular Cations","Inorganic Chemistry","2005","44","","4454","4456","10.1021/ic050241d","","","0.7107","MoKα","","","0.053","","","","0.097","","","","","","0.912","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309116","29.1069","0.0003","16.7175","0.0003","24.5306","0.0004","90","","120.21","0.005","90","","10315.3","0.6","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C103 H82 F24 N12 O5 P4 Ru2 -","- C103 H79 F24 N12 O5 P3.5 Ru2 -","- C412 H316 F96 N48 O20 P14 Ru8 -","4","0.5","","Jean-Paul Collin; Damien Jouvenot; Masatoshi Koizumi; Jean-Pierre Sauvage","Light-Driven Expulsion of the Sterically Hindering Ligand L in Tris-diimine Ruthenium(II) Complexes of the Ru(phen)2(L)2+ Family: A Pronounced Ring Effect","Inorganic Chemistry","2005","44","","4693","4698","10.1021/ic050246a","","","0.71073","Mo-Kα","","0.118","0.094","","0.202","","0.118","","","1.342","","","1.316","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309117","11.574","0.0003","14.6694","0.0003","17.7379","0.0004","90","","95.684","0.005","90","","2996.8","0.12","173","","173","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C66 H60 F12 N6 O2 P2 Ru -","- C66 H60 F12 N6 O2 P2 Ru -","- C132 H120 F24 N12 O4 P4 Ru2 -","2","0.5","","Jean-Paul Collin; Damien Jouvenot; Masatoshi Koizumi; Jean-Pierre Sauvage","Light-Driven Expulsion of the Sterically Hindering Ligand L in Tris-diimine Ruthenium(II) Complexes of the Ru(phen)2(L)2+ Family: A Pronounced Ring Effect","Inorganic Chemistry","2005","44","","4693","4698","10.1021/ic050246a","","","0.71073","Mo-Kα","","0.12","0.044","","0.711","","0.058","","","15.201","","","1.02","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309118","13.8261","0.0002","15.1133","0.0002","17.0233","0.0003","102.063","0.005","97.138","0.005","98.739","0.005","3393.14","0.14","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C148 H134 F24 N12 O13 P4 Ru2 -","- C148 H120 F24 N12 O13 P4 Ru2 -","- C148 H120 F24 N12 O13 P4 Ru2 -","1","0.5","","Jean-Paul Collin; Damien Jouvenot; Masatoshi Koizumi; Jean-Pierre Sauvage","Light-Driven Expulsion of the Sterically Hindering Ligand L in Tris-diimine Ruthenium(II) Complexes of the Ru(phen)2(L)2+ Family: A Pronounced Ring Effect","Inorganic Chemistry","2005","44","","4693","4698","10.1021/ic050246a","","","0.71073","Mo-Kα","","0.114","0.063","","0.279","","0.084","","","1.432","","","1.01","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309119","18.035","0.006","10.279","0.004","12.565","0.004","90","","109.02","0.01","90","","2202.2","1.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Cd3 O20 -","- C12 H22 Cd3 O20 -","- C48 H88 Cd12 O80 -","4","1","","E. T. Kefalas; M. Dakanali; P. Panagiotidis; C. P. Raptopoulou; A. Terzis; T. Mavromoustakos; I. Kyrikou; N. Karligiano; A. Bino; A. Salifoglou","pH-Specific Aqueous Synthetic Chemistry in the Binary Cadmium(II)-Citrate System. Gaining Insight into Cadmium(II)-Citrate Speciation with Relevance to Cadmium Toxicity","Inorganic Chemistry","2005","44","","4818","4828","10.1021/ic050286e","","","0.71073","MoKα","","0.0201","0.0191","","","0.0589","0.0596","","","","","","1.151","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309120","9.686","0.004","8.484","0.004","7.035","0.003","90","","110.28","0.01","90","","542.3","0.4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 Cd N O9 -","- C6 H13 Cd N O9 -","- C12 H26 Cd2 N2 O18 -","2","1","","E. T. Kefalas; M. Dakanali; P. Panagiotidis; C. P. Raptopoulou; A. Terzis; T. Mavromoustakos; I. Kyrikou; N. Karligiano; A. Bino; A. Salifoglou","pH-Specific Aqueous Synthetic Chemistry in the Binary Cadmium(II)-Citrate System. Gaining Insight into Cadmium(II)-Citrate Speciation with Relevance to Cadmium Toxicity","Inorganic Chemistry","2005","44","","4818","4828","10.1021/ic050286e","","","0.71073","MoKα","","0.0264","0.0264","","","0.0665","0.0666","","","","","","1.045","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309121","13.8811","0.0009","13.8811","0.0009","31.783","0.003","90","","90","","120","","5303.6","0.7","153","2","153","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H72 Cu3 F6 Mo4 N24 O12 -","- C60 H72 Cu3 F6 Mo4 N24 O12 -","- C180 H216 Cu9 F18 Mo12 N72 O36 -","3","0.166667","","Janet E. Kirsch; Heather K. Izumi; Charlotte L. Stern; Kenneth R. Poeppelmeier","Synthesis and Characterization of the Face-Sharing Bioctahedral [Mo2O6F3]3- Anion","Inorganic Chemistry","2005","44","","4586","4593","10.1021/ic0502877","","","0.71073","MoKα","","0.0504","0.0401","","","0.1014","0.1079","","","","","","1.068","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309122","39.253","0.003","21.6263","0.0018","25.784","0.002","90","","113.556","0.002","90","","20064","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C118 H132 Mn N7 O -","- C118 H127 Mn N7 O -","- C944 H1016 Mn8 N56 O8 -","8","1","","David E. Lansky; Beaven Mandimutsira; Bobby Ramdhanie; Maria Clausén; James Penner-Hahn; S. A. Zvyagin; Joshua Telser; J. Krzystek; Riqiang Zhan; Zhongping Ou; Karl M. Kadish; Lev Zakharov; Arnold L. Rheingold; David P. Goldberg","Synthesis, Characterization, and Physicochemical Properties of Manganese(III) and Manganese(V)-Oxo Corrolazines","Inorganic Chemistry","2005","44","","4485","4498","10.1021/ic0503636","","","0.71073","MoKα","","0.2058","0.1125","","","0.3224","0.3758","","","","","","1.131","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309123","14.577","0.003","6.971","0.0014","23.493","0.005","90","","98.17","0.03","90","","2363","0.9","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H28 Cl2 N2 O Pt -","- C24.5 H27 Cl2 N2 O Pt -","- C98 H108 Cl8 N8 O4 Pt4 -","4","1","","Chi-Chung Kwok; Hugo M. Y. Ngai; Siu-Chung Chan; Iona H. T. Sham; Chi-Ming Che; Nianyong Zhu","[(O^N^N)PtX] Complexes as a New Class of Light-Emitting Materials for Electrophosphorescent Devices","Inorganic Chemistry","2005","44","","4442","4444","10.1021/ic050365q","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","209039","2020-10-21","18:00:00",""
"4309124","21.163","0.004","14.845","0.003","21.462","0.004","90","","110.38","0.03","90","","6321","2","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Cd3 Cl6 N12 O8 P2 S2 -","- C50 H50 Cd3 Cl6 N12 O8 P2 S2 -","- C200 H200 Cd12 Cl24 N48 O32 P8 S8 -","4","0.5","","Vadapalli Chandrasekhar; Ramachandran Azhakar; Stefano Zacchini; Jamie F. Bickley; Alexander Steiner","Synthesis, Structure, and Stereochemistry of Trinuclear Metal Complexes Formed from the Phosphorus-Based Achiral Tripodal Ligand {P(S)[N(Me)NCHC6H4-o-OH]3} (LH3): Luminescent Properties of L2Cd3.2H2O","Inorganic Chemistry","2005","44","","4608","4615","10.1021/ic050395t","","","0.71073","MoKα","","0.0628","0.058","","","0.1472","0.1553","","","","","","1.099","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309125","21.0597","0.001","14.8212","0.0007","21.1365","0.001","90","","113.132","0.001","90","","6066.9","0.5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C51 H54 Cl6 Mn3 N12 O7 P2 S2 -","- C51 H54 Cl6 Mn3 N12 O7 P2 S2 -","- C204 H216 Cl24 Mn12 N48 O28 P8 S8 -","4","0.5","","Vadapalli Chandrasekhar; Ramachandran Azhakar; Stefano Zacchini; Jamie F. Bickley; Alexander Steiner","Synthesis, Structure, and Stereochemistry of Trinuclear Metal Complexes Formed from the Phosphorus-Based Achiral Tripodal Ligand {P(S)[N(Me)NCHC6H4-o-OH]3} (LH3): Luminescent Properties of L2Cd3.2H2O","Inorganic Chemistry","2005","44","","4608","4615","10.1021/ic050395t","","","0.71073","MoKα","","0.0637","0.0596","","","0.1642","0.168","","","","","","1.033","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309126","20.948","0.0013","14.906","0.0009","20.6966","0.0013","90","","113.3","0.001","90","","5935.5","0.6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C51 H54 Cl6 N12 O7 P2 S2 Zn3 -","- C51 H50 Cl6 N12 O7 P2 S2 Zn3 -","- C204 H200 Cl24 N48 O28 P8 S8 Zn12 -","4","0.5","","Vadapalli Chandrasekhar; Ramachandran Azhakar; Stefano Zacchini; Jamie F. Bickley; Alexander Steiner","Synthesis, Structure, and Stereochemistry of Trinuclear Metal Complexes Formed from the Phosphorus-Based Achiral Tripodal Ligand {P(S)[N(Me)NCHC6H4-o-OH]3} (LH3): Luminescent Properties of L2Cd3.2H2O","Inorganic Chemistry","2005","44","","4608","4615","10.1021/ic050395t","","","0.71073","MoKα","","0.0625","0.0505","","","0.1444","0.1513","","","","","","0.998","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309127","17.4241","0.0002","10.246","0.0001","18.5408","0.0002","90","","94.02","","90","","3301.9","0.06","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H64 B3 O2 Ti -","- C32 H64 B3 O2 Ti -","- C128 H256 B12 O8 Ti4 -","4","0.5","","Errun Ding; Bin Du; Fu-Chen Liu; Shengming Liu; Edward A. Meyers; Sheldon G. Shore","Preparation and Crystal Structures of a Series of Titanium(III) 9-BBN Hydroborate Complexes Containing Ti...H Agostic Interactions","Inorganic Chemistry","2005","44","","4871","4878","10.1021/ic050422f","","","0.71073","MoKα","","0.0466","0.0365","","","0.0913","0.0968","","","","","","1.047","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309128","20.3535","0.001","13.5503","0.001","21.6302","0.001","90","","90","","90","","5965.5","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H58 B3 O Ti -","- C28 H58 B3 O Ti -","- C224 H464 B24 O8 Ti8 -","8","1","","Errun Ding; Bin Du; Fu-Chen Liu; Shengming Liu; Edward A. Meyers; Sheldon G. Shore","Preparation and Crystal Structures of a Series of Titanium(III) 9-BBN Hydroborate Complexes Containing Ti...H Agostic Interactions","Inorganic Chemistry","2005","44","","4871","4878","10.1021/ic050422f","","","0.71073","MoKα","","0.0798","0.0405","","","0.0859","0.0972","","","","","","1.007","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4309129","11.0575","0.001","11.0868","0.001","26.5904","0.001","96.897","0.01","98.991","0.01","107.892","0.01","3014.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H55 B3 N Ti -","- C30 H55 B3 N Ti -","- C120 H220 B12 N4 Ti4 -","4","2","","Errun Ding; Bin Du; Fu-Chen Liu; Shengming Liu; Edward A. Meyers; Sheldon G. Shore","Preparation and Crystal Structures of a Series of Titanium(III) 9-BBN Hydroborate Complexes Containing Ti...H Agostic Interactions","Inorganic Chemistry","2005","44","","4871","4878","10.1021/ic050422f","","","0.71073","MoKα","","0.0645","0.0419","","","0.0998","0.1088","","","","","","1.03","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309130","10.8894","0.0001","21.374","0.0002","24.0977","0.0002","90","","92.82","","90","","5601.95","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H104 B4 K O4 Ti -","- C48 H104 B4 K O4 Ti -","- C192 H416 B16 K4 O16 Ti4 -","4","1","","Errun Ding; Bin Du; Fu-Chen Liu; Shengming Liu; Edward A. Meyers; Sheldon G. Shore","Preparation and Crystal Structures of a Series of Titanium(III) 9-BBN Hydroborate Complexes Containing Ti...H Agostic Interactions","Inorganic Chemistry","2005","44","","4871","4878","10.1021/ic050422f","","","0.71073","MoKα","","0.0997","0.0756","","","0.2025","0.2263","","","","","","1.015","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309131","10.0398","0.0016","16.148","0.003","21.493","0.003","90","","94.38","0.003","90","","3474.3","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C46H30N4CoCl","","","- C46 H30 Cl Co N4 -","- C46 H30 Cl Co N4 -","- C184 H120 Cl4 Co4 N16 -","4","1","","Joseph M. Fritsch; Kristopher McNeill","Aqueous Reductive Dechlorination of Chlorinated Ethylenes with Tetrakis(4-carboxyphenyl)porphyrin Cobalt","Inorganic Chemistry","2005","44","","4852","4861","10.1021/ic0504339","","","0.71073","MoKα","","0.077","0.0471","","","0.1103","0.1228","","","","","","1.04","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309132","11.719","0.0009","11.719","0.0009","7.8041","0.0008","90","","90","","120","","928.19","0.14","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C24 H36 Cl2 Fe N18 O8 -","- C24 H36 Cl2 Fe N18 O8 -","- C24 H36 Cl2 Fe N18 O8 -","1","0.166667","","Robert Bronisz","1,4-Di(1,2,3-triazol-1-yl)butane as Building Block for the Preparation of the Iron(II) Spin-Crossover 2D Coordination Polymer","Inorganic Chemistry","2005","44","","4463","4465","10.1021/ic050449z","","","0.71073","MoKα","","0.0922","0.0567","","","0.1048","0.1143","","","","","","1.224","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309133","11.6562","0.0012","11.6562","0.0012","7.7453","0.0009","90","","90","","120","","911.35","0.17","130","2","130","2","","","","","","","","6","P -3","-P 3","147","","","","- C24 H36 Cl2 Fe N18 O8 -","- C24 H36 Cl2 Fe N18 O8 -","- C24 H36 Cl2 Fe N18 O8 -","1","0.166667","","Robert Bronisz","1,4-Di(1,2,3-triazol-1-yl)butane as Building Block for the Preparation of the Iron(II) Spin-Crossover 2D Coordination Polymer","Inorganic Chemistry","2005","44","","4463","4465","10.1021/ic050449z","","","0.71073","MoKα","","0.0841","0.069","","","0.1077","0.1123","","","","","","1.195","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309134","11.6138","0.0009","11.6138","0.0009","7.7724","0.001","90","","90","","120","","907.89","0.15","135","2","135","2","","","","","","","","6","P -3","-P 3","147","","","","- C24 H36 Cl2 Fe N18 O8 -","- C24 H36 Cl2 Fe N18 O8 -","- C24 H36 Cl2 Fe N18 O8 -","1","0.166667","","Robert Bronisz","1,4-Di(1,2,3-triazol-1-yl)butane as Building Block for the Preparation of the Iron(II) Spin-Crossover 2D Coordination Polymer","Inorganic Chemistry","2005","44","","4463","4465","10.1021/ic050449z","","","0.71073","MoKα","","0.1114","0.0808","","","0.105","0.1103","","","","","","1.439","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309135","14.8802","0.001","26.9895","0.0019","18.8546","0.0013","90","","107.687","0.001","90","","7214.2","0.9","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H40 Ag4 N24 O12 Se10 -","- C60 H40 Ag4 N24 O12 Se10 -","- C240 H160 Ag16 N96 O48 Se40 -","4","1","","Ai-Ju Zhou; Shao-Liang Zheng; Yue Fang; Ming-Liang Tong","Molecular Tectonics: Self-Complementary Supramolecular Se...N Synthons Directing Assembly of 1D Silver Chains into 3D Porous Molecular Architectures","Inorganic Chemistry","2005","44","","4457","4459","10.1021/ic050472k","","","0.71073","MoKα","","0.0866","0.0435","","","0.0798","0.0945","","","","","","0.956","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309136","18.0377","0.0014","13.5111","0.0011","7.4379","0.0006","90","","95.502","0.001","90","","1804.3","0.2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Ag N6 O3 Se2.5 -","- C15 H10 Ag N6 O3 Se2.5 -","- C60 H40 Ag4 N24 O12 Se10 -","4","0.5","","Ai-Ju Zhou; Shao-Liang Zheng; Yue Fang; Ming-Liang Tong","Molecular Tectonics: Self-Complementary Supramolecular Se...N Synthons Directing Assembly of 1D Silver Chains into 3D Porous Molecular Architectures","Inorganic Chemistry","2005","44","","4457","4459","10.1021/ic050472k","","","0.71073","MoKα","","0.0297","0.0251","","","0.0812","0.0824","","","","","","1.207","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309137","9.006","0.002","29.787","0.007","9.505","0.002","90","","115.048","0.004","90","","2310","0.9","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H27 K0.5 N6 O9.5 Pr0.5 Ru -","- C14 H12 K0.5 N6 O9.5 Pr0.5 Ru -","- C56 H48 K2 N24 O38 Pr2 Ru4 -","4","1","","Graham M. Davies; Simon J. A. Pope; Harry Adams; Stephen Faulkner; Michael D. Ward","Structural and Photophysical Properties of Coordination Networks Combining [Ru(bipy)(CN)4]2- Anions and Lanthanide(III) Cations: Rates of Photoinduced Ru-to-Lanthanide Energy Transfer and Sensitized Near-Infrared Luminescence","Inorganic Chemistry","2005","44","","4656","4665","10.1021/ic050512k","","","0.71073","MoKα","","0.0822","0.0593","","","0.1658","0.1869","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309138","15.0504","0.0014","13.7872","0.0013","29.79","0.003","90","","104.599","0.002","90","","5981.9","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 N18 Nd2 O19 Ru3 -","- C42 H24 N18 Nd2 O19 Ru3 -","- C168 H96 N72 Nd8 O76 Ru12 -","4","1","","Graham M. Davies; Simon J. A. Pope; Harry Adams; Stephen Faulkner; Michael D. Ward","Structural and Photophysical Properties of Coordination Networks Combining [Ru(bipy)(CN)4]2- Anions and Lanthanide(III) Cations: Rates of Photoinduced Ru-to-Lanthanide Energy Transfer and Sensitized Near-Infrared Luminescence","Inorganic Chemistry","2005","44","","4656","4665","10.1021/ic050512k","","","0.71073","MoKα","","0.0403","0.029","","","0.0762","0.0798","","","","","","1.042","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309139","14.9452","0.0011","13.7769","0.001","29.611","0.002","90","","104.302","0.001","90","","5907.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Gd2 N18 O19 Ru3 -","- C42 H38 Gd2 N18 O19 Ru3 -","- C168 H152 Gd8 N72 O76 Ru12 -","4","1","","Graham M. Davies; Simon J. A. Pope; Harry Adams; Stephen Faulkner; Michael D. Ward","Structural and Photophysical Properties of Coordination Networks Combining [Ru(bipy)(CN)4]2- Anions and Lanthanide(III) Cations: Rates of Photoinduced Ru-to-Lanthanide Energy Transfer and Sensitized Near-Infrared Luminescence","Inorganic Chemistry","2005","44","","4656","4665","10.1021/ic050512k","","","0.71073","MoKα","","0.1119","0.0567","","","0.1232","0.145","","","","","","0.941","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309140","17.226","","29.365","0.002","17.2263","0.0013","90","","90","","90","","8713.8","0.9","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H46 Er K N12 O15 Ru2 -","- C28 H16 Er K N12 O15 Ru2 -","- C224 H128 Er8 K8 N96 O120 Ru16 -","8","2","","Graham M. Davies; Simon J. A. Pope; Harry Adams; Stephen Faulkner; Michael D. Ward","Structural and Photophysical Properties of Coordination Networks Combining [Ru(bipy)(CN)4]2- Anions and Lanthanide(III) Cations: Rates of Photoinduced Ru-to-Lanthanide Energy Transfer and Sensitized Near-Infrared Luminescence","Inorganic Chemistry","2005","44","","4656","4665","10.1021/ic050512k","","","0.71073","MoKα","","0.0445","0.0393","","","0.1029","0.1062","","","","","","1.031","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4309141","19.284","0.0006","10.5425","0.0003","16.8868","0.0005","90","","117.088","0.001","90","","3056.53","0.16","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H5 F4 N O6 Os -","- C14 H5 F4 N O6 Os -","- C112 H40 F32 N8 O48 Os8 -","8","1","","Yi-Ming Cheng; Yu-Shan Yeh; Mei-Lin Ho; Pi-Tai Chou; Po-Shen Chen; Yun Chi","Dual Room-Temperature Fluorescent and Phosphorescent Emission in 8-Quinolinolate Osmium(II) Carbonyl Complexes: Rationalization and Generalization of Intersystem Crossing Dynamics","Inorganic Chemistry","2005","44","","4594","4603","10.1021/ic0505347","","","0.71073","MoKα","","0.0245","0.0206","","","0.0429","0.0441","","","","","","1.054","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309142","13.5579","0.0005","9.3166","0.0004","25.7751","0.001","90","","100.979","0.001","90","","3196.2","0.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H8 F3 N O6 Os -","- C15 H8 F3 N O6 Os -","- C120 H64 F24 N8 O48 Os8 -","8","1","","Yi-Ming Cheng; Yu-Shan Yeh; Mei-Lin Ho; Pi-Tai Chou; Po-Shen Chen; Yun Chi","Dual Room-Temperature Fluorescent and Phosphorescent Emission in 8-Quinolinolate Osmium(II) Carbonyl Complexes: Rationalization and Generalization of Intersystem Crossing Dynamics","Inorganic Chemistry","2005","44","","4594","4603","10.1021/ic0505347","","","0.71073","MoKα","","0.0295","0.0239","","","0.0507","0.0528","","","","","","1.039","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309143","8.1703","0.0012","13.656","0.002","18.262","0.003","90","","93.413","0.003","90","","2033.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 N2 O13 P4 Zn -","- C10 H26 N2 O13 P4 Zn -","- C40 H104 N8 O52 P16 Zn4 -","4","1","","Konstantinos D. Demadis; Christos Mantzaridis; Raphael G. Raptis; Gellert Mezei","Metal-Organotetraphosphonate Inorganic-Organic Hybrids: Crystal Structure and Anticorrosion Effects of Zinc Hexamethylenediaminetetrakis(methylenephosphonate) on Carbon Steels","Inorganic Chemistry","2005","44","","4469","4471","10.1021/ic050572q","","","0.71073","MoKα","","0.083","0.044","","","0.0939","0.1051","","","","","","0.951","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309144","15.106","0.0004","15.106","0.0004","13.11","0.0005","90","","90","","90","","2991.59","0.16","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C28 H38 Cl4 N2 O4 Ti -","- C28 H38 Cl4 N2 O4 Ti -","- C112 H152 Cl16 N8 O16 Ti4 -","4","0.5","","Adi Yeori; Stanislav Groysman; Israel Goldberg; Moshe Kol","Diastereoisomerically Selective Enantiomerically Pure Titanium Complexes of Salan Ligands: Synthesis, Structure, and Preliminary Activity Studies","Inorganic Chemistry","2005","44","","4466","4468","10.1021/ic050745b","","","0.71073","MoKα","","0.0859","0.0756","","","0.1393","0.1421","","","","","","1.187","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309145","14.947","0.0005","14.947","0.0005","13.199","0.0003","90","","90","","90","","2948.83","0.15","106","2","106","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C26 H34 Cl4 N2 O4 Ti -","- C26 H34 Cl4 N2 O4 Ti -","- C104 H136 Cl16 N8 O16 Ti4 -","4","0.5","","Adi Yeori; Stanislav Groysman; Israel Goldberg; Moshe Kol","Diastereoisomerically Selective Enantiomerically Pure Titanium Complexes of Salan Ligands: Synthesis, Structure, and Preliminary Activity Studies","Inorganic Chemistry","2005","44","","4466","4468","10.1021/ic050745b","","","0.71073","MoKα","","0.0717","0.0408","","","0.0893","0.114","","","","","","1.01","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309146","15.067","0.0005","15.067","0.0005","13.135","0.0005","90","","90","","90","","2981.84","0.18","110","2","110","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C28 H38 Cl4 N2 O4 Ti -","- C28 H38 Cl4 N2 O4 Ti -","- C112 H152 Cl16 N8 O16 Ti4 -","4","0.5","","Adi Yeori; Stanislav Groysman; Israel Goldberg; Moshe Kol","Diastereoisomerically Selective Enantiomerically Pure Titanium Complexes of Salan Ligands: Synthesis, Structure, and Preliminary Activity Studies","Inorganic Chemistry","2005","44","","4466","4468","10.1021/ic050745b","","","0.71073","MoKα","","0.1058","0.0585","","","0.1068","0.122","","","","","","0.966","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309147","7.8072","0.0002","14.0965","0.0004","15.9181","0.0005","90","","97.735","0.001","90","","1735.91","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H52 Ba N10 O6 -","- C26 H52 Ba N10 O6 -","- C52 H104 Ba2 N20 O12 -","2","0.5","","Issam Kobrsi; John E. Knox; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Weak Carbon-Hydrogen-Nitrogen Interactions Affect the Heterocyclic Ligand Bonding Modes in Barium Complexes Containing η2-Tetrazolato and η2-Pentazolato Ligands","Inorganic Chemistry","2005","44","","4894","4896","10.1021/ic048171i","","","0.71073","MoKα","","0.0328","0.0323","","","0.0794","0.0797","","","","","","1.074","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309148","8.3476","0.0007","14.6417","0.0012","10.913","0.0009","90","","103.916","0.003","90","","1294.67","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Ba N10 O6 -","- C18 H36 Ba N10 O6 -","- C36 H72 Ba2 N20 O12 -","2","0.5","","Issam Kobrsi; John E. Knox; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Weak Carbon-Hydrogen-Nitrogen Interactions Affect the Heterocyclic Ligand Bonding Modes in Barium Complexes Containing η2-Tetrazolato and η2-Pentazolato Ligands","Inorganic Chemistry","2005","44","","4894","4896","10.1021/ic048171i","","","0.71073","MoKα","","0.0276","0.0208","","","0.0609","0.0629","","","","","","1.117","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309149","18.5702","0.0015","18.5702","0.0015","18.5702","0.0015","90","","90","","90","","6404","0.9","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C6 H6 F18 La N3 O15 S6 -","- C6 H6 F18 La N3 O15 S6 -","- C48 H48 F144 La8 N24 O120 S48 -","8","0.666667","","Anand I. Bhatt; Iain May; Vladimir A. Volkovich; David Collison; Madeleine Helliwell; Ilya B. Polovov; Robert G. Lewin","Structural Characterization of a Lanthanum Bistriflimide Complex, La(N(SO2CF3)2)3(H2O)3, and an Investigation of La, Sm, and Eu Electrochemistry in a Room-Temperature Ionic Liquid, [Me3NnBu][N(SO2CF3)2]","Inorganic Chemistry","2005","44","","4934","4940","10.1021/ic048199u","","","0.71073","MoKα","","0.046","0.0394","","","0.0865","0.0898","","","","","","1.034","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309150","8.6155","0.0008","10.1435","0.0009","11.3612","0.0011","95.535","0.002","110.303","0.002","106.111","0.002","873.91","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","JK107","u-oxalato-bis-[(diphenyldipyrazolylmethane)copper(II) chloride]","","- C40 H32 Cl2 Cu2 N8 O4 -","- C40 H32 Cl2 Cu2 N8 O4 -","- C40 H32 Cl2 Cu2 N8 O4 -","1","0.5","","Janet L. Shaw; Gordon T. Yee; Guangbin Wang; David E. Benson; Cagil Gokdemir; Christopher J. Ziegler","Magneto-Structural Relationships in a Series of Dinuclear Oxalato-Bridged (Diphenyldipyrazolylmethane)copper(II) Complexes","Inorganic Chemistry","2005","44","","5060","5067","10.1021/ic048229t","","","0.71073","MoKα","","0.0427","0.0365","","","0.0934","0.0968","","","","","","1.064","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309151","8.863","0.007","10.241","0.009","11.425","0.01","98.985","0.014","110.449","0.013","103.664","0.014","911.1","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","JK065","u-oxalato-bis-[(diphenyldipyrazolylmethane)copper(II) nitrate]","","- C20 H16 Cu N5 O5 -","- C20 H16 Cu N5 O5 -","- C40 H32 Cu2 N10 O10 -","2","1","","Janet L. Shaw; Gordon T. Yee; Guangbin Wang; David E. Benson; Cagil Gokdemir; Christopher J. Ziegler","Magneto-Structural Relationships in a Series of Dinuclear Oxalato-Bridged (Diphenyldipyrazolylmethane)copper(II) Complexes","Inorganic Chemistry","2005","44","","5060","5067","10.1021/ic048229t","","","0.71073","MoKα","","0.0719","0.0555","","","0.1168","0.1237","","","","","","1.045","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309152","23.4588","0.0014","8.8568","0.0005","21.7818","0.0013","90","","100.889","0.001","90","","4444.1","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","JK100","u-oxalato-bis-[(diphenyl-bis(3-methylpyrazolyl)methane)copper(II) hydrate]","","- C44 H46 Cu2 N10 O13 -","- C44 H46 Cu2 N10 O13 -","- C176 H184 Cu8 N40 O52 -","4","0.5","","Janet L. Shaw; Gordon T. Yee; Guangbin Wang; David E. Benson; Cagil Gokdemir; Christopher J. Ziegler","Magneto-Structural Relationships in a Series of Dinuclear Oxalato-Bridged (Diphenyldipyrazolylmethane)copper(II) Complexes","Inorganic Chemistry","2005","44","","5060","5067","10.1021/ic048229t","","","0.71073","MoKα","","0.0354","0.032","","","0.0823","0.0841","","","","","","1.063","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309153","15.946","0.003","14.498","0.003","8.2646","0.0017","90","","90","","90","","1910.7","0.7","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mn Sb2 Sr2 -","- Mn Sb2 Sr2 -","- Mn12 Sb24 Sr24 -","12","1.5","","Seon-Mi Park; Sung-Jin Kim; Mercouri G. Kanatzidis","Sr2MnSb2: A New Ternary Transition Metal Zintl Phase","Inorganic Chemistry","2005","44","","4979","4982","10.1021/ic048252e","","","0.71073","MoKα","","0.0422","0.029","","","0.0568","0.0595","","","","","","1.053","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309154","14.202","0.004","16.58","0.004","25.376","0.007","93.182","0.005","104.313","0.004","92.762","0.005","5769","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H132 Cu8 N16 O30 -","- C110 H132 Cu8 N16 O30 -","- C220 H264 Cu16 N32 O60 -","2","1","","Matilde Fondo; Ana M. García-Deibe; Monstserrat Corbella; Eliseo Ruiz; Javier Tercero; Jesús Sanmartín; Manuel R. Bermejo","Unexpected Ferromagnetic Interaction in a New Tetranuclear Copper(II) Complex: Synthesis, Crystal Structure, Magnetic Properties, and Theoretical Studies","Inorganic Chemistry","2005","44","","5011","5020","10.1021/ic0482741","","","0.71073","MoKα","","0.124","0.0769","","","0.2109","0.2372","","","","","","1.042","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309155","15.3227","0.0002","13.1343","0.0001","24.057","0.0003","90","","108.141","0.0005","90","","4600.87","0.09","90","0.2","90","0.2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C34 H63 B F3 Fe N14 Ni O8 S -","- C34 H63 B F3 Fe N14 Ni O8 S -","- C136 H252 B4 F12 Fe4 N56 Ni4 O32 S4 -","4","1","","Dongfeng Li; Sean Parkin; Guangbin Wang; Gordon T. Yee; Andrey V. Prosvirin; Stephen M. Holmes","Single-Molecule Magnets Constructed from Cyanometalates: {[Tp*FeIII(CN)3MII(DMF)4]2[OTf]2}.2DMF (MII= Co, Ni)","Inorganic Chemistry","2005","44","","4903","4905","10.1021/ic048367i","","","0.71073","MoKα","","0.0934","0.0636","","","0.174","0.1932","","","","","","1.48","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309156","15.295","0.003","13.194","0.003","24.321","0.005","90","","107.09","0.03","90","","4691.3","1.9","90","2","90","0.2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C68 H114 B2 F6 Fe2 Mn2 N28 O16 S2 -","- C68 H114 B2 F6 Fe2 Mn2 N28 O16 S2 -","- C136 H228 B4 F12 Fe4 Mn4 N56 O32 S4 -","2","0.5","","Dongfeng Li; Sean Parkin; Guangbin Wang; Gordon T. Yee; Andrey V. Prosvirin; Stephen M. Holmes","Single-Molecule Magnets Constructed from Cyanometalates: {[Tp*FeIII(CN)3MII(DMF)4]2[OTf]2}.2DMF (MII= Co, Ni)","Inorganic Chemistry","2005","44","","4903","4905","10.1021/ic048367i","","","0.71073","MoKα","","0.1087","0.0655","","","0.1801","0.1997","","","","","","1.088","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309157","15.3587","0.0002","13.1573","0.0002","24.1959","0.0004","90","","108.394","0.0007","90","","4639.68","0.12","90","0.2","90","0.2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C68 H116 B2 Co2 F6 Fe2 N28 O16 S2 -","- C68 H116 B2 Co2 F6 Fe2 N28 O16 S2 -","- C136 H232 B4 Co4 F12 Fe4 N56 O32 S4 -","2","0.5","","Dongfeng Li; Sean Parkin; Guangbin Wang; Gordon T. Yee; Andrey V. Prosvirin; Stephen M. Holmes","Single-Molecule Magnets Constructed from Cyanometalates: {[Tp*FeIII(CN)3MII(DMF)4]2[OTf]2}.2DMF (MII= Co, Ni)","Inorganic Chemistry","2005","44","","4903","4905","10.1021/ic048367i","","","0.71073","MoKα","","0.1097","0.0492","","","0.0938","0.1088","","","","","","1.019","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309158","10.4149","0.0006","12.1682","0.0007","18.2488","0.001","105.698","0.001","105.897","0.001","93.116","0.001","2120.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(F6-acac)2[3-(2-amino-4-methoxypyrimidin-6-yl)pyridine]2Cu(II) (CHCl3)2","","- C32 H24 Cl6 Cu F12 N8 O6 -","- C32 H24 Cl6 Cu F12 N8 O6 -","- C64 H48 Cl12 Cu2 F24 N16 O12 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper","Directed Supramolecular Assembly of Infinite 1-D M(II)-Containing Chains (M = Cu, Co, Ni) Using Structurally Bifunctional Ligands","Inorganic Chemistry","2005","44","","4983","4991","10.1021/ic048405y","","","0.71073","MoKα","","0.0572","0.0459","","","0.1182","0.1263","","","","","","1.046","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309159","9.3368","0.0007","10.3686","0.0008","11.0609","0.0008","85.536","0.002","79.677","0.002","83.026","0.002","1043.95","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(1,3-Ph2propanedionato)-bis[3(2-amino-4-methoxypyrimidin-6-yl) pyridine]Co(II)","","- C50 H42 Co N8 O6 -","- C50 H42 Co N8 O6 -","- C50 H42 Co N8 O6 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper","Directed Supramolecular Assembly of Infinite 1-D M(II)-Containing Chains (M = Cu, Co, Ni) Using Structurally Bifunctional Ligands","Inorganic Chemistry","2005","44","","4983","4991","10.1021/ic048405y","","","0.71073","MoKα","","0.0536","0.0462","","","0.1079","0.1121","","","","","","1.06","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309160","8.2843","0.0004","10.875","0.0005","11.7573","0.0006","113.081","0.001","94.412","0.001","103.833","0.001","928.76","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","bis(F6-acac)bis[3-(2-amino-4-methylpyrimidin-6-yl)pyridine]copper(II) 1,2-dichloroethane","","- C32 H26 Cl2 Cu F12 N8 O4 -","- C32 H26 Cl2 Cu F12 N8 O4 -","- C32 H26 Cl2 Cu F12 N8 O4 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper","Directed Supramolecular Assembly of Infinite 1-D M(II)-Containing Chains (M = Cu, Co, Ni) Using Structurally Bifunctional Ligands","Inorganic Chemistry","2005","44","","4983","4991","10.1021/ic048405y","","","0.71073","MoKα","","0.0405","0.0376","","","0.1055","0.1077","","","","","","1.036","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309161","9.6243","0.0011","10.4481","0.0012","13.8822","0.0015","85.905","0.002","86.3","0.002","74.69","0.002","1341.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1-(2-amino-4-methylpyrimidin-6-yl)-2-(3-methoxypyridin-5-yl)ethyne, Cu(F6-acac)2","","- C23 H14 Cu F12 N4 O5 -","- C23 H14 Cu F12 N4 O5 -","- C46 H28 Cu2 F24 N8 O10 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper","Directed Supramolecular Assembly of Infinite 1-D M(II)-Containing Chains (M = Cu, Co, Ni) Using Structurally Bifunctional Ligands","Inorganic Chemistry","2005","44","","4983","4991","10.1021/ic048405y","","","0.71073","MoKα","","0.0583","0.0467","","","0.1261","0.1333","","","","","","1.029","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309162","10.5076","0.0005","10.7568","0.0006","11.9544","0.0006","68.916","0.001","82.62","0.001","69.19","0.001","1178.48","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[1-(2-amino-4-Methylpyrimidin-6-yl)-2-(3-methoxypyridin-5-yl)ethyne]2, Co(PhCOCCOPh)2","","- C56 H46 Co N8 O6 -","- C56 H46 Co N8 O6 -","- C56 H46 Co N8 O6 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper","Directed Supramolecular Assembly of Infinite 1-D M(II)-Containing Chains (M = Cu, Co, Ni) Using Structurally Bifunctional Ligands","Inorganic Chemistry","2005","44","","4983","4991","10.1021/ic048405y","","","0.71073","MoKα","","0.047","0.0429","","","0.1081","0.1111","","","","","","1.037","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309163","10.4666","0.0007","10.6669","0.0007","11.9828","0.0008","68.678","0.004","82.626","0.004","69.23","0.003","1165.27","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(2-amino-4-Methylpyrimidin-6-yl)-2-(3-methoxypyridin-5-yl)ethyne, Ni(Ph2acac)2","","- C56 H46 N8 Ni O6 -","- C56 H46 N8 Ni O6 -","- C56 H46 N8 Ni O6 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper","Directed Supramolecular Assembly of Infinite 1-D M(II)-Containing Chains (M = Cu, Co, Ni) Using Structurally Bifunctional Ligands","Inorganic Chemistry","2005","44","","4983","4991","10.1021/ic048405y","","","0.71073","MoKα","","0.0788","0.057","","","0.1355","0.147","","","","","","0.982","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309164","8.7082","0.0003","25.2377","0.001","35.4858","0.0014","90","","90.755","0.001","90","","7798.2","0.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H59 Nd O5 -","- C40 H59 Nd O5 -","- C320 H472 Nd8 O40 -","8","2","","Yingming Yao; Xiaoping Xu; Bao Liu; Yong Zhang; Qi Shen; Wing-Tak Wong","Carbon-Bridged Bis(phenolato)lanthanide Alkoxides: Syntheses, Structures, and Their Application in the Controlled Polymerization of ε-Caprolactone","Inorganic Chemistry","2005","44","","5133","5140","10.1021/ic050022s","","","0.7107","MoKα","","0.0501","0.0436","","","0.0914","0.0946","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309165","13.723","0.005","17.247","0.006","16.279","0.006","90","","93.8","0.004","90","","3844","2","193.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H122 Nd2 O12 -","- C76 H122 Nd2 O12 -","- C152 H244 Nd4 O24 -","2","0.5","","Yingming Yao; Xiaoping Xu; Bao Liu; Yong Zhang; Qi Shen; Wing-Tak Wong","Carbon-Bridged Bis(phenolato)lanthanide Alkoxides: Syntheses, Structures, and Their Application in the Controlled Polymerization of ε-Caprolactone","Inorganic Chemistry","2005","44","","5133","5140","10.1021/ic050022s","","","0.7107","MoKα","","","0.066","","","","0.134","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309166","13.3352","0.001","17.8296","0.0012","15.7714","0.0012","90","","92.996","0.004","90","","3744.7","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H122 O12 Yb2 -","- C76 H122 O12 Yb2 -","- C152 H244 O24 Yb4 -","2","0.5","","Yingming Yao; Xiaoping Xu; Bao Liu; Yong Zhang; Qi Shen; Wing-Tak Wong","Carbon-Bridged Bis(phenolato)lanthanide Alkoxides: Syntheses, Structures, and Their Application in the Controlled Polymerization of ε-Caprolactone","Inorganic Chemistry","2005","44","","5133","5140","10.1021/ic050022s","","","0.7107","MoKα","","0.0444","0.0414","","","0.0899","0.0911","","","","","","1.223","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309167","14.4866","0.0003","15.2484","0.0007","20.2785","0.001","87.215","0.005","70.035","0.004","66.052","0.004","3826.6","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H116 O12 Yb2 -","- C77 H116 O12 Yb2 -","- C154 H232 O24 Yb4 -","2","1","","Yingming Yao; Xiaoping Xu; Bao Liu; Yong Zhang; Qi Shen; Wing-Tak Wong","Carbon-Bridged Bis(phenolato)lanthanide Alkoxides: Syntheses, Structures, and Their Application in the Controlled Polymerization of ε-Caprolactone","Inorganic Chemistry","2005","44","","5133","5140","10.1021/ic050022s","","","0.7107","MoKα","","0.0591","0.0443","","","0.0907","0.0981","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309168","10.9802","0.0016","19.4181","0.0018","9.6964","0.0011","90","","112.08","0.01","90","","1915.8","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PtCl4(NHC(NEt2)NC(Ph)NHPh)2","","","- C36 H44 Cl4 N8 Pt -","- C36 H44 Cl4 N8 Pt -","- C72 H88 Cl8 N16 Pt2 -","2","0.5","","Nadezhda A. Bokach; Tatyana V. Kuznetsova; Svetlana A. Simanova; Matti Haukka; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Nitrile-Amidine Coupling at Pt(IV) and Pt(II) Centers. An Easy Entry to Imidoylamidine Complexes","Inorganic Chemistry","2005","44","","5152","5160","10.1021/ic050037q","","","0.71073","MoKα","","0.0636","0.0308","","","0.0558","0.0634","","","","","","1.049","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309169","9.3749","0.0003","9.6825","0.0004","19.2244","0.0007","90","","103.766","0.003","90","","1694.92","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[PdCl2{NHC(NEt)2NC(Ph)NPh}2]","","","- C36 H42 Cl2 N8 Pt -","- C36 H42 Cl2 N8 Pt -","- C72 H84 Cl4 N16 Pt2 -","2","0.5","","Nadezhda A. Bokach; Tatyana V. Kuznetsova; Svetlana A. Simanova; Matti Haukka; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Nitrile-Amidine Coupling at Pt(IV) and Pt(II) Centers. An Easy Entry to Imidoylamidine Complexes","Inorganic Chemistry","2005","44","","5152","5160","10.1021/ic050037q","","","0.71073","MoKα","","0.0314","0.0239","","","0.0576","0.0624","","","","","","1.069","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309170","16.4592","0.0002","16.4592","0.0002","8.8506","0.0002","90","","90","","90","","2397.67","0.07","150","2","150","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C13 H13 Cl N2 -","- C13 H13 Cl N2 -","- C104 H104 Cl8 N16 -","8","1","","Nadezhda A. Bokach; Tatyana V. Kuznetsova; Svetlana A. Simanova; Matti Haukka; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Nitrile-Amidine Coupling at Pt(IV) and Pt(II) Centers. An Easy Entry to Imidoylamidine Complexes","Inorganic Chemistry","2005","44","","5152","5160","10.1021/ic050037q","","","0.71073","MoKα","","0.0448","0.0338","","","0.0824","0.0885","","","","","","1.074","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4309171","12.1385","0.0008","10.4006","0.0008","15.0235","0.001","90","","90.997","0.006","90","","1896.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[PtCl(NCEt){NHC(Et)(Ph)NPh}]","","","- C19 H21 Cl N4 Pt -","- C19 H21 Cl N4 Pt -","- C76 H84 Cl4 N16 Pt4 -","4","1","","Nadezhda A. Bokach; Tatyana V. Kuznetsova; Svetlana A. Simanova; Matti Haukka; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Nitrile-Amidine Coupling at Pt(IV) and Pt(II) Centers. An Easy Entry to Imidoylamidine Complexes","Inorganic Chemistry","2005","44","","5152","5160","10.1021/ic050037q","","","0.71073","MoKα","","0.025","0.0165","","","0.0355","0.0385","","","","","","1.085","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309172","12.3627","0.0003","12.94","0.0004","22.0075","0.0006","77.72","0.002","83.761","0.002","71.549","0.001","3259.97","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Pt{NHC(NEt)2NC(Ph)NPh}2]","","","- C72 H84 N16 Pt2 -","- C72 H84 N16 Pt2 -","- C144 H168 N32 Pt4 -","2","1","","Nadezhda A. Bokach; Tatyana V. Kuznetsova; Svetlana A. Simanova; Matti Haukka; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Nitrile-Amidine Coupling at Pt(IV) and Pt(II) Centers. An Easy Entry to Imidoylamidine Complexes","Inorganic Chemistry","2005","44","","5152","5160","10.1021/ic050037q","","","0.71073","MoKα","","0.0468","0.0323","","","0.0734","0.0798","","","","","","1.067","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309173","7.5864","0.0004","23.2217","0.0013","13.5715","0.0008","90","","92.824","0.001","90","","2388","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cd N4 O8 -","- C22 H20 Cd N4 O8 -","- C88 H80 Cd4 N16 O32 -","4","0.5","","Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)","Inorganic Chemistry","2005","44","","5047","5059","10.1021/ic050080d","","","0.7107","MoKα","","0.0942","0.0558","","","0.132","0.1391","","","","","","1.215","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309174","8.5893","0.0004","15.7662","0.0008","17.5041","0.0009","90","","90","","90","","2370.4","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Cu N4 O8 -","- C22 H20 Cu N4 O8 -","- C88 H80 Cu4 N16 O32 -","4","1","","Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)","Inorganic Chemistry","2005","44","","5047","5059","10.1021/ic050080d","","","0.7107","MoKα","","0.028","0.0239","","","0.0601","0.0619","","","","","","1.022","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309175","8.728","0.0005","10.0176","0.0006","11.8926","0.0007","107.991","0.001","97.109","0.001","115.542","0.001","851.39","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 Cu N6 O6 -","- C40 H24 Cu N6 O6 -","- C40 H24 Cu N6 O6 -","1","0.5","","Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)","Inorganic Chemistry","2005","44","","5047","5059","10.1021/ic050080d","","","0.7107","MoKα","","0.0402","0.0321","","","0.0821","0.085","","","","","","1.037","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309176","18.8283","0.001","14.6711","0.0008","13.4266","0.0007","90","","93.447","0.001","90","","3702.1","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H18 Cl4 Cu F12 N2 O4 -","- C32.02 H18.04 Cl4.04 Cu F12 N2 O4 -","- C128.08 H72.16 Cl16.16 Cu4 F48 N8 O16 -","4","0.5","","Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)","Inorganic Chemistry","2005","44","","5047","5059","10.1021/ic050080d","","","0.7107","MoKα","","0.0603","0.049","","","0.1446","0.156","","","","","","1.033","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309177","7.4928","0.0005","8.948","0.0005","14.8543","0.0009","100.427","0.001","97.324","0.001","110.901","0.001","894.81","0.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H28 Co N6 O8 -","- C40 H28 Co N6 O8 -","- C40 H28 Co N6 O8 -","1","1","","Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)","Inorganic Chemistry","2005","44","","5047","5059","10.1021/ic050080d","","","0.7107","MoKα","","0.0279","0.0265","","","0.0711","0.0728","","","","","","1.048","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309178","14.1724","0.0009","15.7947","0.001","18.0715","0.0012","115.38","0.001","101.319","0.001","93.472","0.002","3535.6","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 Co N5 O6 -","- C30 H18 Co N5 O6 -","- C120 H72 Co4 N20 O24 -","4","2","","Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)","Inorganic Chemistry","2005","44","","5047","5059","10.1021/ic050080d","","","0.71073","MoKα","","0.1016","0.0599","","","0.123","0.1339","","","","","","0.993","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309179","11.3706","0.001","20.3114","0.0018","15.2401","0.0019","90","","100.201","0.002","90","","3464.1","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H24 Cd N6 O6 -","- C40 H24 Cd N6 O6 -","- C160 H96 Cd4 N24 O24 -","4","0.5","","Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)","Inorganic Chemistry","2005","44","","5047","5059","10.1021/ic050080d","","","0.71073","MoKα","","0.0482","0.0396","","","0.1037","0.1074","","","","","","1.063","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309180","10.6133","0.0006","20.5652","0.0011","14.7013","0.0012","90","","98.637","0.001","90","","3172.4","0.4","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H14 Cu F12 N2 O4 -","- C30 H14 Cu F12 N2 O4 -","- C120 H56 Cu4 F48 N8 O16 -","4","0.5","","Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)","Inorganic Chemistry","2005","44","","5047","5059","10.1021/ic050080d","","","0.71073","MoKα","","0.0402","0.0354","","","0.0964","0.098","","","","","","1.034","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309181","9.493","0.0002","17.415","0.0003","16.53","0.0004","90","","98.366","0.0007","90","","2703.67","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 N O4 V -","- C31 H38 N O4 V -","- C124 H152 N4 O16 V4 -","4","1","","Stanislav Groysman; Israel Goldberg; Zeev Goldschmidt; Moshe Kol","Vanadium(III) and Vanadium(V) Amine Tris(Phenolate) Complexes","Inorganic Chemistry","2005","44","","5073","5080","10.1021/ic050084i","","","0.71073","MoKα","","0.0768","0.0516","","","0.1098","0.1211","","","","","","1.022","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309182","10.379","0.0017","11.033","0.0016","20.604","0.003","91.933","0.012","100.196","0.008","96.432","0.011","2304.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H66 N O4 V -","- C49 H68 N O4 V -","- C98 H136 N2 O8 V2 -","2","1","","Stanislav Groysman; Israel Goldberg; Zeev Goldschmidt; Moshe Kol","Vanadium(III) and Vanadium(V) Amine Tris(Phenolate) Complexes","Inorganic Chemistry","2005","44","","5073","5080","10.1021/ic050084i","","","0.71073","MoKα","","0.2153","0.1327","","","0.3073","0.363","","","","","","1.13","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309183","18.431","0.0008","16.38","0.0003","31.974","0.0013","90","","91.853","0.0012","90","","9647.9","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N O4 V -","- C27 H30 N O4 V -","- C432 H480 N16 O64 V16 -","16","4","","Stanislav Groysman; Israel Goldberg; Zeev Goldschmidt; Moshe Kol","Vanadium(III) and Vanadium(V) Amine Tris(Phenolate) Complexes","Inorganic Chemistry","2005","44","","5073","5080","10.1021/ic050084i","","","0.71073","MoKα","","0.1894","0.0596","","","0.1285","0.1785","","","","","","0.947","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309184","15.583","0.0002","18.425","0.0003","22.802","0.0005","90","","90","","90","","6546.8","0.2","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C73 H98 N O4 V -","- C73 H67.2 N O4 V -","- C292 H268.8 N4 O16 V4 -","4","0.5","","Stanislav Groysman; Israel Goldberg; Zeev Goldschmidt; Moshe Kol","Vanadium(III) and Vanadium(V) Amine Tris(Phenolate) Complexes","Inorganic Chemistry","2005","44","","5073","5080","10.1021/ic050084i","","","0.71073","MoKα","","0.1022","0.0781","","","0.2154","0.2342","","","","","","1.017","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309185","18.542","0.0004","14.695","0.0004","23.932","0.0005","90","","101.223","0.0018","90","","6396.2","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cl6 N O7 V -","- C29 H30 Cl6 N O7 V -","- C232 H240 Cl48 N8 O56 V8 -","8","2","","Stanislav Groysman; Israel Goldberg; Zeev Goldschmidt; Moshe Kol","Vanadium(III) and Vanadium(V) Amine Tris(Phenolate) Complexes","Inorganic Chemistry","2005","44","","5073","5080","10.1021/ic050084i","","","0.71073","MoKα","","0.1337","0.0628","","","0.1151","0.1411","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309186","27.7606","0.0008","18.1961","0.0005","23.9329","0.0007","90","","106.042","0.001","90","","11618.6","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H136 Dy10 I6 O17 S6 Se12 -","- C68 H136 Dy10 I6 O17 S6 Se12 -","- C272 H544 Dy40 I24 O68 S24 Se48 -","4","0.5","","Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Internal Ln: Fragmentation and the Formation of Dimers with Bridging Se2- and Se22- Ligands","Inorganic Chemistry","2005","44","","5118","5122","10.1021/ic050150g","","","0.71073","MoKα","","0.084","0.0509","","","0.1129","0.1262","","","","","","1.018","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309187","27.681","0.003","18.119","0.002","23.832","0.002","90","","106.05","0.002","90","","11487","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H136 Ho10 I6 O17 S6 Se12 -","- C68 H136 Ho10 I6 O17 S6 Se12 -","- C272 H544 Ho40 I24 O68 S24 Se48 -","4","0.5","","Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Internal Ln: Fragmentation and the Formation of Dimers with Bridging Se2- and Se22- Ligands","Inorganic Chemistry","2005","44","","5118","5122","10.1021/ic050150g","","","0.71073","MoKα","","0.0877","0.0524","","","0.1075","0.1198","","","","","","1.038","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309188","48.053","0.004","9.6756","0.0007","16.9322","0.0013","90","","93.821","0.002","90","","7855","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H32.5 Er2 I2 N6.5 S0.82 Se2.17 -","- C32.5 H32.5 Er2 I2 N6.5 S0.828 Se2.172 -","- C260 H260 Er16 I16 N52 S6.624 Se17.376 -","8","1","","Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Internal Ln: Fragmentation and the Formation of Dimers with Bridging Se2- and Se22- Ligands","Inorganic Chemistry","2005","44","","5118","5122","10.1021/ic050150g","","","0.71073","MoKα","","0.0795","0.0589","","","0.1268","0.1325","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309189","48.065","0.003","9.6714","0.0006","16.5589","0.001","90","","94.376","0.001","90","","7675.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H32.5 Br2 Ho2 N6.5 Se3 -","- C32.5 H32.5 Br2 Ho2 N6.5 Se3 -","- C260 H260 Br16 Ho16 N52 Se24 -","8","1","","Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Internal Ln: Fragmentation and the Formation of Dimers with Bridging Se2- and Se22- Ligands","Inorganic Chemistry","2005","44","","5118","5122","10.1021/ic050150g","","","0.71073","MoKα","","0.0876","0.0482","","","0.0958","0.1098","","","","","","1.001","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309190","47.71","0.004","9.6254","0.0008","16.4448","0.0014","90","","94.234","0.002","90","","7531.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H32.5 Br2 N6.5 Se3 Yb2 -","- C32.5 H32.5 Br2 N6.5 Se3 Yb2 -","- C260 H260 Br16 N52 Se24 Yb16 -","8","1","","Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Internal Ln: Fragmentation and the Formation of Dimers with Bridging Se2- and Se22- Ligands","Inorganic Chemistry","2005","44","","5118","5122","10.1021/ic050150g","","","0.71073","MoKα","","0.0648","0.0373","","","0.0678","0.0758","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309191","10.543","0.002","25.198","0.004","24.295","0.004","90","","90.28","0.02","90","","6454.2","1.9","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H88 Mn4 N8 O21 -","- C53 H88 Mn4 N8 O21 -","- C212 H352 Mn16 N32 O84 -","4","0.5","","Christopher E. Dubé; Sumitra Mukhopadhyay; Peter J. Bonitatebus; Richard J. Staples; William H. Armstrong","Tuning Tetranuclear Manganese-Oxo Core Electronic Properties: Adamantane-Shaped Complexes Synthesized by Ligand Exchange","Inorganic Chemistry","2005","44","","5161","5175","10.1021/ic050183w","","","0.71073","MoKα","","0.0959","0.0634","","","0.1216","0.1384","","","","","","1.088","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309192","23.934","0.006","23.934","0.006","23.934","0.006","90","","90","","90","","13710","6","193","2","193","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C30 H36 Cl4 Mn4 N15 O26.5 -","- C30 H36 Cl4.02 Mn4 N15 O26.58 -","- C240 H288 Cl32.16 Mn32 N120 O212.64 -","8","0.0416667","","Christopher E. Dubé; Sumitra Mukhopadhyay; Peter J. Bonitatebus; Richard J. Staples; William H. Armstrong","Tuning Tetranuclear Manganese-Oxo Core Electronic Properties: Adamantane-Shaped Complexes Synthesized by Ligand Exchange","Inorganic Chemistry","2005","44","","5161","5175","10.1021/ic050183w","","","0.71073","MoKα","","0.107","0.0691","","","0.211","0.2438","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309193","11.104","0.004","12.786","0.004","13.625","0.005","84.909","0.005","75.133","0.005","88.457","0.006","1862.3","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H48 Al3 Fe3 -","- C45 H48 Al3 Fe3 -","- C90 H96 Al6 Fe6 -","2","1","","Holger Braunschweig; Christian Burschka; Guy K. B. Clentsmith; Thomas Kupfer; Krzysztof Radacki","Ferrocenylalanes: Solid-State and Solution Structures of Some New Aluminum-Bridged ansa-Ferrocenes","Inorganic Chemistry","2005","44","","4906","4908","10.1021/ic0501925","","","0.71073","MoKα","","0.0374","0.0339","","","0.0956","0.0975","","","","","","1.08","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309194","10.3099","0.0006","11.6422","0.0009","14.0998","0.0009","90","","106.336","0.007","90","","1624.1","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Al Fe N -","- C19 H20 Al Fe N -","- C76 H80 Al4 Fe4 N4 -","4","1","","Holger Braunschweig; Christian Burschka; Guy K. B. Clentsmith; Thomas Kupfer; Krzysztof Radacki","Ferrocenylalanes: Solid-State and Solution Structures of Some New Aluminum-Bridged ansa-Ferrocenes","Inorganic Chemistry","2005","44","","4906","4908","10.1021/ic0501925","","","0.71073","MoKα","","0.038","0.0269","","","0.0672","0.0704","","","","","","1.026","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309195","12.928","0.001","8.35","0.001","18.453","0.002","90","","115.4","0.01","90","","1799.4","0.4","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 Cl4 N6 Ru S3 -","- C9 H8 Cl3 N6 Ru0.5 S3 -","- C36 H32 Cl12 N24 Ru2 S12 -","4","0.5","","Pasquale Mura; Francesca Piccioli; Chiara Gabbiani; Mercedes Camalli; Luigi Messori","Structure-Function Relationships within Keppler-Type Antitumor Ruthenium(III) Complexes: the Case of 2-Aminothiazolium[trans-tetrachlorobis(2-aminothiazole)ruthenate(III)]","Inorganic Chemistry","2005","44","","4897","4899","10.1021/ic050194p","","","1.54178","CuKα","","0.048","0.048","","0.069","0.069","","","","0.906","0.906","0.906","","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309196","8.4923","0.0007","10.2828","0.0009","11.1011","0.001","73.886","0.001","79.157","0.001","70.993","0.001","875.43","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Lead(II) tetrakis(imidazolyl)borate perrhenate","","- C12 H12 B N8 O4 Pb Re -","- C12 H12 B N8 O4 Pb Re -","- C24 H24 B2 N16 O8 Pb2 Re2 -","2","1","","Barton H. Hamilton; Todd A. Wagler; Matthew P. Espe; Christopher J. Ziegler","Sequestering Perrhenate with a Borate-Based Coordination Polymer: A Model for Pertechnetate Separation","Inorganic Chemistry","2005","44","","4891","4893","10.1021/ic050213v","","","0.71073","MoKα","","0.0274","0.0228","","","0.048","0.0495","","","","","","1.017","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309197","19.8796","0.0007","8.7884","0.0003","7.2922","0.0003","90","","96.234","0.002","90","","1266.49","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cl2 N2 S2 Te -","- Cl2 N2 S2 Te -","- Cl16 N16 S16 Te8 -","8","1","","Jari Konu; Markku Ahlgrén; Stephen M. Aucott; Tristram Chivers; Sophie H. Dale; Mark R. J. Elsegood; Kathryn E. Holmes; Sarah L. M. James; Paul F. Kelly; Risto S. Laitinen","Synthetic Applications of (Me3SiNSN)2E (E = S, Se) in Chalcogen-Nitrogen Chemistry: Formation and Structural Characterization of Cl2TeESN2 (E = S, Se) and [PPh4]2[Pd2(μ-Se2N2S)X4] (X = Cl, Br)","Inorganic Chemistry","2005","44","","4992","5000","10.1021/ic050261f","","","0.71073","MoKα","","0.0261","0.0235","","","0.0562","0.0573","","","","","","1.22","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309198","8.3524","0.0017","7.9527","0.0016","19.853","0.004","90","","90","","90","","1318.7","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Cl2 N2 S Se Te -","- Cl2 N2 S Se Te -","- Cl16 N16 S8 Se8 Te8 -","8","1","","Jari Konu; Markku Ahlgrén; Stephen M. Aucott; Tristram Chivers; Sophie H. Dale; Mark R. J. Elsegood; Kathryn E. Holmes; Sarah L. M. James; Paul F. Kelly; Risto S. Laitinen","Synthetic Applications of (Me3SiNSN)2E (E = S, Se) in Chalcogen-Nitrogen Chemistry: Formation and Structural Characterization of Cl2TeESN2 (E = S, Se) and [PPh4]2[Pd2(μ-Se2N2S)X4] (X = Cl, Br)","Inorganic Chemistry","2005","44","","4992","5000","10.1021/ic050261f","","","0.71073","MoKα","","0.0421","0.0415","","","0.1256","0.126","","","","","","1.19","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309199","9.6484","0.0006","34.684","0.002","14.6209","0.0009","90","","97.824","0.002","90","","4847.3","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Cl4 N2 P2 Pd2 S Se2 -","- C48 H40 Cl4 N2 P2 Pd2 S Se2 -","- C192 H160 Cl16 N8 P8 Pd8 S4 Se8 -","4","1","","Jari Konu; Markku Ahlgrén; Stephen M. Aucott; Tristram Chivers; Sophie H. Dale; Mark R. J. Elsegood; Kathryn E. Holmes; Sarah L. M. James; Paul F. Kelly; Risto S. Laitinen","Synthetic Applications of (Me3SiNSN)2E (E = S, Se) in Chalcogen-Nitrogen Chemistry: Formation and Structural Characterization of Cl2TeESN2 (E = S, Se) and [PPh4]2[Pd2(μ-Se2N2S)X4] (X = Cl, Br)","Inorganic Chemistry","2005","44","","4992","5000","10.1021/ic050261f","","","0.71073","MoKα","","0.057","0.0347","","","0.0661","0.0737","","","","","","1.053","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309200","9.9248","0.0004","34.8896","0.0013","14.6325","0.0006","90","","97.255","0.002","90","","5026.3","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Br4 N2 P2 Pd2 S Se2 -","- C48 H40 Br4 N2 P2 Pd2 S Se2 -","- C192 H160 Br16 N8 P8 Pd8 S4 Se8 -","4","1","","Jari Konu; Markku Ahlgrén; Stephen M. Aucott; Tristram Chivers; Sophie H. Dale; Mark R. J. Elsegood; Kathryn E. Holmes; Sarah L. M. James; Paul F. Kelly; Risto S. Laitinen","Synthetic Applications of (Me3SiNSN)2E (E = S, Se) in Chalcogen-Nitrogen Chemistry: Formation and Structural Characterization of Cl2TeESN2 (E = S, Se) and [PPh4]2[Pd2(μ-Se2N2S)X4] (X = Cl, Br)","Inorganic Chemistry","2005","44","","4992","5000","10.1021/ic050261f","","","0.71073","MoKα","","0.0383","0.025","","","0.0509","0.0555","","","","","","1.021","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309201","6.8923","0.0016","12.138","0.003","20.724","0.005","90","","99.519","0.004","90","","1709.9","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl Co N3 O2 -","- C14 H28 Cl Co N3 O2 -","- C56 H112 Cl4 Co4 N12 O8 -","4","1","","Marciela Scarpellini; Amy J. Wu; Jeff W. Kampf; Vincent L. Pecoraro","Corroborative Models of the Cobalt(II) Inhibited Fe/Mn Superoxide Dismutases","Inorganic Chemistry","2005","44","","5001","5010","10.1021/ic050281h","","","0.71073","MoKα","","0.0756","0.0617","","","0.1662","0.1746","","","","","","1.126","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309202","30.357","0.003","8.156","0.0009","16.9803","0.0018","90","","107.095","0.002","90","","4018.4","0.7","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H35 Co N3 O6 -","- C16 H35 Co N3 O6 -","- C128 H280 Co8 N24 O48 -","8","1","","Marciela Scarpellini; Amy J. Wu; Jeff W. Kampf; Vincent L. Pecoraro","Corroborative Models of the Cobalt(II) Inhibited Fe/Mn Superoxide Dismutases","Inorganic Chemistry","2005","44","","5001","5010","10.1021/ic050281h","","","0.71073","MoKα","","0.0464","0.0321","","","0.0829","0.0908","","","","","","0.999","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309203","13.1603","0.0015","10.7582","0.0012","12.1671","0.0013","90","","106.556","0.002","90","","1651.2","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl Co N5 O2 -","- C14 H20 Cl Co N5 O2 -","- C56 H80 Cl4 Co4 N20 O8 -","4","1","","Marciela Scarpellini; Amy J. Wu; Jeff W. Kampf; Vincent L. Pecoraro","Corroborative Models of the Cobalt(II) Inhibited Fe/Mn Superoxide Dismutases","Inorganic Chemistry","2005","44","","5001","5010","10.1021/ic050281h","","","0.71073","MoKα","","0.044","0.0301","","","0.0704","0.0763","","","","","","1.018","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309204","7.774","0.0008","10.7088","0.0012","12.7012","0.0014","87.08","0.002","86.868","0.002","74.185","0.002","1015.12","0.19","113","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H27 Co N5 O6 -","- C16 H27 Co N5 O6 -","- C32 H54 Co2 N10 O12 -","2","1","","Marciela Scarpellini; Amy J. Wu; Jeff W. Kampf; Vincent L. Pecoraro","Corroborative Models of the Cobalt(II) Inhibited Fe/Mn Superoxide Dismutases","Inorganic Chemistry","2005","44","","5001","5010","10.1021/ic050281h","","","0.71073","MoKα","","0.0337","0.0297","","","0.0781","0.0803","","","","","","1.05","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309205","13.0245","0.0013","10.7195","0.001","24.869","0.002","90","","101.272","0.002","90","","3405.1","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Co N8 O2 -","- C14 H20 Co N8 O2 -","- C112 H160 Co8 N64 O16 -","8","2","","Marciela Scarpellini; Amy J. Wu; Jeff W. Kampf; Vincent L. Pecoraro","Corroborative Models of the Cobalt(II) Inhibited Fe/Mn Superoxide Dismutases","Inorganic Chemistry","2005","44","","5001","5010","10.1021/ic050281h","","","0.71073","MoKα","","0.0588","0.0397","","","0.0973","0.1051","","","","","","1.052","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309206","5.7059","0.0006","8.6751","0.0009","5.938","0.0006","90","","113.74","0.002","90","","269.06","0.05","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu2 Na2 O6 Te -","- Cu2 Na2 O6 Te -","- Cu4 Na4 O12 Te2 -","2","0.25","","Jianxiao Xu; Abdeljalil Assoud; Navid Soheilnia; Shahab Derakhshan; Heather L. Cuthbert; John E. Greedan; Mike H. Whangbo; Holger Kleinke","Synthesis, Structure, and Magnetic Properties of the Layered Copper(II) Oxide Na2Cu2TeO6","Inorganic Chemistry","2005","44","","5042","5046","10.1021/ic0502832","","","0.71073","MoKα","","0.0314","0.0313","","","0.0823","0.0823","","","","","","1.068","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309207","9.5241","0.0011","26.647","0.003","15.512","0.0018","90","","100.199","0.002","90","","3874.6","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HOLYY16","","","- C43 H59 Fe N2 -","- C43 H59 Fe N2 -","- C172 H236 Fe4 N8 -","4","1","","Sebastian A. Stoian; Ying Yu; Jeremy M. Smith; Patrick L. Holland; Emile L. Bominaar; Eckard Münck","Mössbauer, Electron Paramagnetic Resonance, and Crystallographic Characterization of a High-Spin Fe(I) Diketiminate Complex with Orbital Degeneracy","Inorganic Chemistry","2005","44","","4915","4922","10.1021/ic050321h","","","0.71073","MoKα","","0.0547","0.0387","","","0.0971","0.1055","","","","","","1.013","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309208","8.012","0.003","9.903","0.004","10.584","0.004","64.758","0.012","71.436","0.013","74.256","0.012","711","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Au3(CD3OC=NCH3)3","","","- C9 H18 Au3 N3 O3 -","- C9 H18 Au3 N3 O3 -","- C18 H36 Au6 N6 O6 -","2","1","","Rochelle L. White-Morris; Marilyn M. Olmstead; Saeed Attar; Alan L. Balch","Intermolecular Interactions in Polymorphs of Trinuclear Gold(I) Complexes: Insight into the Solvoluminescence of AuI3(MeNCOMe)3","Inorganic Chemistry","2005","44","","5021","5029","10.1021/ic050381n","","","0.71073","MoKα","","0.0355","0.0325","","","0.0804","0.0815","","","","","","1.132","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309209","33.573","0.011","19.384","0.008","21.631","0.008","90","","111.832","0.013","90","","13067","8","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Au3(MeN=COMe)3","","","- C9 H18 Au3 N3 O3 -","- C6.21156 Au3.01456 N1.55556 O0.444444 -","- C223.616 Au108.524 N56 O16 -","36","4.5","","Rochelle L. White-Morris; Marilyn M. Olmstead; Saeed Attar; Alan L. Balch","Intermolecular Interactions in Polymorphs of Trinuclear Gold(I) Complexes: Insight into the Solvoluminescence of AuI3(MeNCOMe)3","Inorganic Chemistry","2005","44","","5021","5029","10.1021/ic050381n","","","0.71073","MoKα","","0.2152","0.1451","","","0.377","0.4","","","","","","2.142","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309210","23.066","0.012","24.294","0.013","9.663","0.005","90","","90","","90","","5415","5","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Au3[CH3(CH2)4N=COCH3]3","","","- C21 H42 Au3 N3 O3 -","- C21 H42 Au3 N3 O3 -","- C168 H336 Au24 N24 O24 -","8","1","","Rochelle L. White-Morris; Marilyn M. Olmstead; Saeed Attar; Alan L. Balch","Intermolecular Interactions in Polymorphs of Trinuclear Gold(I) Complexes: Insight into the Solvoluminescence of AuI3(MeNCOMe)3","Inorganic Chemistry","2005","44","","5021","5029","10.1021/ic050381n","","","0.71073","MoKα","","0.1292","0.0962","","","0.2498","0.2777","","","","","","1.186","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309211","14.9537","0.0012","18.6091","0.0015","21.0647","0.0017","109.237","0.006","90.151","0.004","104.539","0.005","5333.8","0.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Au3[CH3(CH2)4N=COCH3]3","","","- C21 H42 Au3 N3 O3 -","- C21 H42 Au3 N3 O3 -","- C168 H336 Au24 N24 O24 -","8","4","","Rochelle L. White-Morris; Marilyn M. Olmstead; Saeed Attar; Alan L. Balch","Intermolecular Interactions in Polymorphs of Trinuclear Gold(I) Complexes: Insight into the Solvoluminescence of AuI3(MeNCOMe)3","Inorganic Chemistry","2005","44","","5021","5029","10.1021/ic050381n","","","0.71073","MoKα","","0.0822","0.0602","","","0.158","0.178","","","","","","1.03","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309212","13.0563","0.0007","13.955","0.0007","11.5493","0.0006","90","","90","","90","","2104.29","0.19","91","2","91","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Au3[(CH3)2CH2N=COCH3]3","","","- C15 H30 Au3 N3 O3 -","- C15 H30 Au3 N3 O3 -","- C60 H120 Au12 N12 O12 -","4","1","","Rochelle L. White-Morris; Marilyn M. Olmstead; Saeed Attar; Alan L. Balch","Intermolecular Interactions in Polymorphs of Trinuclear Gold(I) Complexes: Insight into the Solvoluminescence of AuI3(MeNCOMe)3","Inorganic Chemistry","2005","44","","5021","5029","10.1021/ic050381n","","","0.71073","MoKα","","0.0192","0.0181","","","0.0412","0.0415","","","","","","1.05","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309213","21.359","0.003","21.359","0.003","15.206","0.003","90","","90","","120","","6007.7","1.7","150","2","150","2","","","","","","","","5","P 3","P 3","143","","","","- C42 H79 Br8 In5 N6 -","- C42 H79 Br8 In5 N6 -","- C126 H237 Br24 In15 N18 -","3","1","","Marcus L. Cole; Cameron Jones; Marc Kloth","Controlled Decomposition of an Indium Trihydride Adduct: Synthesis and Characterization of the First Mixed-Oxidation-State Indium Sub-halide Complex Anion, [In5Br8(quinuclidine)4]-","Inorganic Chemistry","2005","44","","4909","4911","10.1021/ic050415r","","","0.71073","MoKα","","0.0908","0.0711","","","0.1724","0.1828","","","","","","1.086","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309214","11.215","0.002","12.033","0.002","12.634","0.003","90","","90","","90","","1705","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H28 Br In N2 -","- C14 H28 Br In N2 -","- C56 H112 Br4 In4 N8 -","4","0.5","","Marcus L. Cole; Cameron Jones; Marc Kloth","Controlled Decomposition of an Indium Trihydride Adduct: Synthesis and Characterization of the First Mixed-Oxidation-State Indium Sub-halide Complex Anion, [In5Br8(quinuclidine)4]-","Inorganic Chemistry","2005","44","","4909","4911","10.1021/ic050415r","","","0.71073","MoKα","","0.0562","0.0321","","","0.0623","0.0705","","","","","","1.028","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309215","9.236","0.003","11.994","0.004","14.694","0.005","99.585","0.006","102.932","0.006","110.311","0.006","1433.7","0.8","90","2","90","2","","","","","","","","4","P -1","-P 1","2","[Al8(OH)14(H2O)18](SO4)5.16H2O","","","- Al8 H82 O68 S5 -","- Al8 H74 O67.98 S5 -","- Al8 H74 O67.98 S5 -","1","0.5","","William H. Casey; Marilyn M. Olmstead; Brian L. Phillips","A New Aluminum Hydroxide Octamer, [Al8(OH)14(H2O)18](SO4)5.16H2O","Inorganic Chemistry","2005","44","","4888","4890","10.1021/ic050426k","","","0.71073","MoKα","","0.0435","0.0364","","","0.0954","0.0997","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309216","13.4458","0.0017","11.5837","0.0015","14.0404","0.0018","90","","105.407","0.002","90","","2108.2","0.5","120","1","120","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C19.5 H15.5 N2.5 O8.5 Zn2 -","- C19.5 H12 N2.5 O8.5 Zn2 -","- C78 H48 N10 O34 Zn8 -","4","0.5","","Bao-Qing Ma; Karen L. Mulfort; Joseph T. Hupp","Microporous Pillared Paddle-Wheel Frameworks Based on Mixed-Ligand Coordination of Zinc Ions","Inorganic Chemistry","2005","44","","4912","4914","10.1021/ic050452i","","","0.71073","MoKα","","0.1063","0.074","","","0.1793","0.2104","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309217","10.886","0.003","10.919","0.003","14.091","0.003","89.294","0.004","89.081","0.004","79.691","0.003","1647.6","0.7","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N2 O8 Zn2 -","- C26 H16 N2 O8 Zn2 -","- C52 H32 N4 O16 Zn4 -","2","1","","Bao-Qing Ma; Karen L. Mulfort; Joseph T. Hupp","Microporous Pillared Paddle-Wheel Frameworks Based on Mixed-Ligand Coordination of Zinc Ions","Inorganic Chemistry","2005","44","","4912","4914","10.1021/ic050452i","","","0.71073","MoKα","","0.1242","0.095","","","0.2404","0.251","","","","","","1.004","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309218","12.9758","0.0015","13.1095","0.0015","13.9258","0.0016","85.31","0.002","70.71","0.002","84.193","0.002","2221.5","0.4","120","1","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 N2 O8 Zn2 -","- C34 H20 N2 O8 Zn2 -","- C68 H40 N4 O16 Zn4 -","2","1","","Bao-Qing Ma; Karen L. Mulfort; Joseph T. Hupp","Microporous Pillared Paddle-Wheel Frameworks Based on Mixed-Ligand Coordination of Zinc Ions","Inorganic Chemistry","2005","44","","4912","4914","10.1021/ic050452i","","","0.71073","MoKα","","0.0993","0.0488","","","0.0953","0.1042","","","","","","0.766","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309219","12.9938","0.0013","22.318","0.002","13.0908","0.0013","90","","102.582","0.002","90","","3705.1","0.6","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H24 N4 O12 Zn2 -","- C48 H24 N4 O12 Zn2 -","- C96 H48 N8 O24 Zn4 -","2","1","","Bao-Qing Ma; Karen L. Mulfort; Joseph T. Hupp","Microporous Pillared Paddle-Wheel Frameworks Based on Mixed-Ligand Coordination of Zinc Ions","Inorganic Chemistry","2005","44","","4912","4914","10.1021/ic050452i","","","0.71073","MoKα","","0.0648","0.0492","","","0.1085","0.1138","","","","","","0.938","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309220","15.1644","0.0013","15.1729","0.0013","22.273","0.002","82.987","0.001","78.446","0.001","72.771","0.001","4784.8","0.7","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H28 N4 O12 Zn2 -","- C52 H28 N4 O12 Zn2 -","- C104 H56 N8 O24 Zn4 -","2","1","","Bao-Qing Ma; Karen L. Mulfort; Joseph T. Hupp","Microporous Pillared Paddle-Wheel Frameworks Based on Mixed-Ligand Coordination of Zinc Ions","Inorganic Chemistry","2005","44","","4912","4914","10.1021/ic050452i","","","0.71073","MoKα","","0.0544","0.0365","","","0.0827","0.0861","","","","","","0.867","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309221","25.3442","0.0005","25.3442","0.0005","20.2084","0.0006","90","","90","","90","","12980.4","0.5","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C108 H144 Cd8.8 P4 Se16 Zn1.2 -","- C110.4 H146.4 Cd8.8 P4 Se16 Zn1.2 -","- C441.6 H585.6 Cd35.2 P16 Se64 Zn4.8 -","4","0.25","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the Effects of Metal Ion Distribution on Their Spectral Properties","Inorganic Chemistry","2005","44","","5447","5458","10.1021/ic0481576","","x-ray","0.71073","MoKα","","0.1337","0.0525","","","0.1104","0.1324","","","","","","1.01","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309222","25.91","0.0002","25.91","0.0002","21.6","0.0002","90","","90","","90","","14500.7","0.2","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C108 H144 Cd8 P4 Te16 Zn2 -","- C108 H144 Cd8 P4 Te16 Zn2 -","- C432 H576 Cd32 P16 Te64 Zn8 -","4","0.25","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the Effects of Metal Ion Distribution on Their Spectral Properties","Inorganic Chemistry","2005","44","","5447","5458","10.1021/ic0481576","","x-ray","0.71073","MoKα","","0.0582","0.0309","","","0.0779","0.0843","","","","","","1.067","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309223","37.1143","0.0012","37.1143","0.0012","37.1143","0.0012","90","","90","","90","","51124","3","150","2","150","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C108 H144 Hg10 P4 Se16 -","- C108 Hg10 P4 Se16 -","- C1728 Hg160 P64 Se256 -","16","0.166667","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the Effects of Metal Ion Distribution on Their Spectral Properties","Inorganic Chemistry","2005","44","","5447","5458","10.1021/ic0481576","","x-ray","0.71073","MoKα","","0.1355","0.0695","","","0.1636","0.1669","","","","","","2.424","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309224","18.6251","0.0005","18.6251","0.0005","18.6251","0.0005","90","","90","","90","","6460.9","0.3","150","2","200","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C108 H144 Cd3 Hg7 P4 Se16 -","- C108 H60 Cd4.2 Hg5.8 P4 Se16 -","- C216 H120 Cd8.4 Hg11.6 P8 Se32 -","2","0.0416667","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the Effects of Metal Ion Distribution on Their Spectral Properties","Inorganic Chemistry","2005","44","","5447","5458","10.1021/ic0481576","","x-ray","0.71073","MoKα","","0.063","0.0412","","","0.1111","0.1244","","","","","","1.018","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309225","34.2588","0.0018","35.9324","0.0019","35.1","0.002","90","","90.239","0.002","90","","43208","4","150","2","150","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C181 H180 Cd17 P2 S30 -","- C181 Cd17 P2 S30 -","- C1448 Cd136 P16 S240 -","8","2","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the Effects of Metal Ion Distribution on Their Spectral Properties","Inorganic Chemistry","2005","44","","5447","5458","10.1021/ic0481576","","x-ray","0.71073","MoKα","","0.1563","0.1067","","","0.2538","0.2758","","","","","","1.328","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309226","20.592","0.004","17.667","0.004","20.81","0.004","90","","90","","90","","7571","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H41 Cl2 N5 O12 Pb -","- C33 H41 Cl2 N5 O12 Pb -","- C264 H328 Cl16 N40 O96 Pb8 -","8","1","","David Esteban-Gómez; Raquel Ferreirós; Susana Fernández-Martínez; Fernando Avecilla; Carlos Platas-Iglesias; Andrés de Blas; Teresa Rodríguez-Blas","Lateral Macrobicyclic Architectures: Toward New Lead(II) Sequestering Agents","Inorganic Chemistry","2005","44","","5428","5436","10.1021/ic0482032","","","0.71073","MoKα","","0.1093","0.0663","","","0.1666","0.1894","","","","","","0.937","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4309227","10.5331","0.001","13.806","0.0013","14.865","0.0014","86.731","0.002","87.133","0.002","81.359","0.002","2131.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 N10 O19 Pb2 -","- C33 H42 N10 O19 Pb2 -","- C66 H84 N20 O38 Pb4 -","2","1","","David Esteban-Gómez; Raquel Ferreirós; Susana Fernández-Martínez; Fernando Avecilla; Carlos Platas-Iglesias; Andrés de Blas; Teresa Rodríguez-Blas","Lateral Macrobicyclic Architectures: Toward New Lead(II) Sequestering Agents","Inorganic Chemistry","2005","44","","5428","5436","10.1021/ic0482032","","","0.71073","MoKα","","0.1032","0.0467","","","0.0954","0.1148","","","","","","1.001","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309228","14.0393","0.0016","18.74","0.002","16.9","0.002","90","","91.287","0.002","90","","4445.2","0.9","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 Li O4 Si3 Te -","- C41 H65 Li O4 Si3 Te -","- C164 H260 Li4 O16 Si12 Te4 -","4","1","","Thomas M. Klapötke; Burkhard Krumm; Heinrich Nöth; Juan Carlos Gálvez-Ruiz; Kurt Polborn; Ingo Schwab; Max Suter","Kinetic and Donor Stabilization of Organotellurenyl Iodides and Azides","Inorganic Chemistry","2005","44","","5254","5265","10.1021/ic048219s","","","0.71073","MoKα","","0.1023","0.0447","","","0.093","0.0998","","","","","","0.804","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4309229","13.5963","0.0009","14.8897","0.0009","13.9463","0.0009","90","","114.39","0.01","90","","2571.4","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 Si6 Te2 -","- C50 H66 Si6 Te2 -","- C100 H132 Si12 Te4 -","2","0.5","","Thomas M. Klapötke; Burkhard Krumm; Heinrich Nöth; Juan Carlos Gálvez-Ruiz; Kurt Polborn; Ingo Schwab; Max Suter","Kinetic and Donor Stabilization of Organotellurenyl Iodides and Azides","Inorganic Chemistry","2005","44","","5254","5265","10.1021/ic048219s","","","0.71073","MoKα","","0.0359","0.0273","","","0.0647","0.0675","","","","","","1.009","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4309230","15.719","0.003","10.579","0.002","20.952","0.004","90","","110.38","0.03","90","","3266","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N3 Si3 Te -","- C28 H36 N3 Si3 Te -","- C112 H144 N12 Si12 Te4 -","4","1","","Thomas M. Klapötke; Burkhard Krumm; Heinrich Nöth; Juan Carlos Gálvez-Ruiz; Kurt Polborn; Ingo Schwab; Max Suter","Kinetic and Donor Stabilization of Organotellurenyl Iodides and Azides","Inorganic Chemistry","2005","44","","5254","5265","10.1021/ic048219s","","","0.71073","MoKα","","0.065","0.0558","","","0.1721","0.1838","","","","","","0.998","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309231","12.0621","0.0008","25.6661","0.0019","10.9647","0.001","90","","90","","90","","3394.5","0.5","200","3","200","3","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H49 I Te -","- C36 H49 I Te -","- C144 H196 I4 Te4 -","4","0.5","","Thomas M. Klapötke; Burkhard Krumm; Heinrich Nöth; Juan Carlos Gálvez-Ruiz; Kurt Polborn; Ingo Schwab; Max Suter","Kinetic and Donor Stabilization of Organotellurenyl Iodides and Azides","Inorganic Chemistry","2005","44","","5254","5265","10.1021/ic048219s","","","0.71073","MoKα","","0.0741","0.0448","","","0.0984","0.107","","","","","","0.909","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309232","10.954","0.002","12.06","0.002","25.553","0.005","90","","90","","90","","3375.7","1.1","200","3","200","3","","","","","","","","5","P b c m","-P 2c 2b","57","","2,6-Bis(2,4,6-triisopropylphenyl)benzenetellurenyl azide","","- C36 H49 I N3 Te -","- C36 H49 I0.258 N2.226 Te0.742 -","- C144 H196 I1.032 N8.904 Te2.968 -","4","0.5","","Thomas M. Klapötke; Burkhard Krumm; Heinrich Nöth; Juan Carlos Gálvez-Ruiz; Kurt Polborn; Ingo Schwab; Max Suter","Kinetic and Donor Stabilization of Organotellurenyl Iodides and Azides","Inorganic Chemistry","2005","44","","5254","5265","10.1021/ic048219s","","x-ray","0.71073","MoKα","","0.0618","0.0419","","","0.1011","0.1072","","","","","","0.999","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309233","9.268","0.002","11.039","0.0011","22.333","0.005","90","","90","","90","","2284.9","0.7","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N4 Te -","- C9 H12 N4 Te -","- C72 H96 N32 Te8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Heinrich Nöth; Juan Carlos Gálvez-Ruiz; Kurt Polborn; Ingo Schwab; Max Suter","Kinetic and Donor Stabilization of Organotellurenyl Iodides and Azides","Inorganic Chemistry","2005","44","","5254","5265","10.1021/ic048219s","","","0.71073","MoKα","","0.0287","0.0246","","0.0683","0.066","","","","1.11","1.147","1.147","","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309234","28.567","0.006","14.498","0.003","12.25","0.002","90","","90","","90","","5073.5","1.7","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H41 Gd2 N5 Ni2 O33 -","- C35 H15 Gd2 N5 Ni2 O33 -","- C140 H60 Gd8 N20 Ni8 O132 -","4","1","","Qi Yue; Jin Yang; Guang-Hua Li; Guo-Dong Li; Wei Xu; Jie-Sheng Chen; Su-Ning Wang","Three-Dimensional 3d-4f Heterometallic Coordination Polymers: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","5241","5246","10.1021/ic048266k","","","0.71073","MoKα","","0.0527","0.0338","","","0.0663","0.0739","","","","","","0.849","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309235","28.843","0.003","14.4325","0.0013","12.2275","0.0009","90","","90","","90","","5090","0.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H40 Co2 Gd2 N5 O32.5 -","- C35 H15 Co2 Gd2 N5 O32.5 -","- C140 H60 Co8 Gd8 N20 O130 -","4","1","","Qi Yue; Jin Yang; Guang-Hua Li; Guo-Dong Li; Wei Xu; Jie-Sheng Chen; Su-Ning Wang","Three-Dimensional 3d-4f Heterometallic Coordination Polymers: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","5241","5246","10.1021/ic048266k","","","0.71073","MoKα","","0.1276","0.0528","","","0.0818","0.0971","","","","","","0.804","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309236","28.8471","0.0014","14.4534","0.001","12.252","0.0007","90","","90","","90","","5108.3","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H40 Co2 Dy2 N5 O32.5 -","- C35 H15 Co2 Dy2 N5 O32.5 -","- C140 H60 Co8 Dy8 N20 O130 -","4","1","","Qi Yue; Jin Yang; Guang-Hua Li; Guo-Dong Li; Wei Xu; Jie-Sheng Chen; Su-Ning Wang","Three-Dimensional 3d-4f Heterometallic Coordination Polymers: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","5241","5246","10.1021/ic048266k","","","0.71073","MoKα","","0.1441","0.058","","","0.1039","0.1255","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309237","18.3429","0.0009","11.3164","0.0006","18.6615","0.0009","90","","102.851","0.002","90","","3776.6","0.3","223","2","223","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C35 H36 B Cr3 F4 N2 O3.5 S4 -","- C35 H36 B Cr3 F4 N2 O3.5 S4 -","- C140 H144 B4 Cr12 F16 N8 O14 S16 -","4","0.5","","Victor Wee Lin Ng; Seah Ling Kuan; Weng Kee Leong; Lip Lin Koh; Geok Kheng Tan; Lai Yoong Goh; Richard D. Webster","Heterocyclic Thionates as a New Class of Bridging Ligands in Oxo-Centered Triangular Cyclopentadienylchromium(III) Complexes","Inorganic Chemistry","2005","44","","5229","5240","10.1021/ic048287e","","","0.71073","MoKα","","0.0998","0.0735","","","0.1453","0.1575","","","","","","1.152","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309238","9.4536","0.0014","10.9489","0.0017","16.161","0.003","82.378","0.003","84.912","0.003","77.518","0.003","1615.7","0.5","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H24 B Cr2 F4 N9 O S2 -","- C26 H24 B Cr2 F4 N9 O S2 -","- C52 H48 B2 Cr4 F8 N18 O2 S4 -","2","1","","Victor Wee Lin Ng; Seah Ling Kuan; Weng Kee Leong; Lip Lin Koh; Geok Kheng Tan; Lai Yoong Goh; Richard D. Webster","Heterocyclic Thionates as a New Class of Bridging Ligands in Oxo-Centered Triangular Cyclopentadienylchromium(III) Complexes","Inorganic Chemistry","2005","44","","5229","5240","10.1021/ic048287e","","","0.71073","MoKα","","0.0947","0.0701","","","0.1474","0.1572","","","","","","1.133","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309239","13.8649","0.0017","6.9857","0.0008","13.8649","0.0017","90","","106.48","","90","","1287.7","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 B F4 N4 S -","- C9 H11 B F4 N4 S -","- C36 H44 B4 F16 N16 S4 -","4","1","","Victor Wee Lin Ng; Seah Ling Kuan; Weng Kee Leong; Lip Lin Koh; Geok Kheng Tan; Lai Yoong Goh; Richard D. Webster","Heterocyclic Thionates as a New Class of Bridging Ligands in Oxo-Centered Triangular Cyclopentadienylchromium(III) Complexes","Inorganic Chemistry","2005","44","","5229","5240","10.1021/ic048287e","","","0.71073","MoKα","","0.0697","0.0615","","","0.1671","0.1754","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309240","11.634","0.002","13.358","0.002","15.74","0.003","109.677","0.003","109.671","0.003","92.603","0.003","2133.8","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C35.7 H37.55 Cr3 N10.85 O6 S3 -","- C35.7 H37.55 Cr3 N10.85 O6 S3 -","- C71.4 H75.1 Cr6 N21.7 O12 S6 -","2","1","","Victor Wee Lin Ng; Seah Ling Kuan; Weng Kee Leong; Lip Lin Koh; Geok Kheng Tan; Lai Yoong Goh; Richard D. Webster","Heterocyclic Thionates as a New Class of Bridging Ligands in Oxo-Centered Triangular Cyclopentadienylchromium(III) Complexes","Inorganic Chemistry","2005","44","","5229","5240","10.1021/ic048287e","","","0.71073","MoKα","","0.0707","0.0543","","","0.1445","0.1538","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309241","8.5634","0.0013","9.9415","0.0015","13.102","0.002","90","","90","","90","","1115.4","0.3","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H8 Cr I2 N -","- C7 H8 Cr I2 N -","- C28 H32 Cr4 I8 N4 -","4","0.5","","Victor Wee Lin Ng; Seah Ling Kuan; Weng Kee Leong; Lip Lin Koh; Geok Kheng Tan; Lai Yoong Goh; Richard D. Webster","Heterocyclic Thionates as a New Class of Bridging Ligands in Oxo-Centered Triangular Cyclopentadienylchromium(III) Complexes","Inorganic Chemistry","2005","44","","5229","5240","10.1021/ic048287e","","","0.71073","MoKα","","0.0264","0.0244","","","0.0579","0.059","","","","","","1.104","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309242","17.2672","0.0006","17.2672","0.0006","27.4602","0.0019","90","","90","","120","","7090.5","0.6","193","2","193","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C33 H96 O44 Zr13 -","- C36 O44 Zr13 -","- C108 O132 Zr39 -","3","0.166667","","Victor W. Day; Walter G. Klemperer; Margaret Mary Pafford","Methyltriskaidecazirconates, Molecular Forms of Zirconia","Inorganic Chemistry","2005","44","","5397","5404","10.1021/ic048307c","","","0.71073","MoKα","","0.1413","0.0506","","","0.1163","0.1387","","","","","","0.869","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309243","9.6738","0.0003","30.2229","0.0009","15.8238","0.0005","90","","97.995","0.001","90","","4581.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H30 N8 Ni O10 -","- C15 H30 N8 Ni O10 -","- C120 H240 N64 Ni8 O80 -","8","2","","Elizabeth A. Deters; Michael J. Goldcamp; Jeanette A. Krause Bauer; Michael J. Baldwin","Anion-Controlled Nuclearity in Nickel Complexes with Potentially Dinucleating, Poly(oxime) Amine Ligands","Inorganic Chemistry","2005","44","","5222","5228","10.1021/ic048355x","","","0.71073","MoKα","","0.0417","0.0286","","","0.0663","0.0731","","","","","","1.01","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309244","12.2524","0.0011","16.6145","0.0015","20.1234","0.0019","90","","90","","90","","4096.5","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H53 Cl4 N9 Ni2 O7 -","- C29 H53 Cl4 N9 Ni2 O7 -","- C116 H212 Cl16 N36 Ni8 O28 -","4","1","","Elizabeth A. Deters; Michael J. Goldcamp; Jeanette A. Krause Bauer; Michael J. Baldwin","Anion-Controlled Nuclearity in Nickel Complexes with Potentially Dinucleating, Poly(oxime) Amine Ligands","Inorganic Chemistry","2005","44","","5222","5228","10.1021/ic048355x","","","0.71073","MoKα","","0.0461","0.0334","","","0.0768","0.0811","","","","","","1.005","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309245","12.5347","0.0005","12.5403","0.0005","14.3504","0.0006","67.348","0.001","69.705","0.001","81.549","0.001","1952.25","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H88 Cl8 N16 Ni4 O12 -","- C36 H74 Cl8 N14 Ni4 O10 -","- C36 H74 Cl8 N14 Ni4 O10 -","1","0.5","","Elizabeth A. Deters; Michael J. Goldcamp; Jeanette A. Krause Bauer; Michael J. Baldwin","Anion-Controlled Nuclearity in Nickel Complexes with Potentially Dinucleating, Poly(oxime) Amine Ligands","Inorganic Chemistry","2005","44","","5222","5228","10.1021/ic048355x","","","0.71073","MoKα","","0.0855","0.048","","","0.1171","0.1292","","","","","","0.891","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309246","18.5107","0.0003","21.7505","0.0004","16.6588","0.0003","90","","96.433","0.001","90","","6664.9","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C77 H66 Cl2 N12 Rh2 -","- C77 H66 Cl2 N12 Rh2 -","- C308 H264 Cl8 N48 Rh8 -","4","0.5","","Daniel A. Lutterman; Natalya N. Degtyareva; Dean H. Johnston; Judith C. Gallucci; Judith L. Eglin; Claudia Turro","Photoinduced One-Electron Reduction of Alkyl Halides by Dirhodium(II,II) Tetraformamidinates and a Related Complex with Visible Light","Inorganic Chemistry","2005","44","","5388","5396","10.1021/ic048377j","","","0.71073","MoKα","","0.0597","0.0369","","0.0935","","0.0851","","","1.04","","","1.096","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309247","14.135","0.001","14.135","0.001","30.314","0.004","90","","90","","90","","6056.7","1","200","2","200","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C60 H60 Cl N8 O8 Rh2 -","- C60 H60 Cl N8 O8 Rh2 -","- C240 H240 Cl4 N32 O32 Rh8 -","4","0.25","","Daniel A. Lutterman; Natalya N. Degtyareva; Dean H. Johnston; Judith C. Gallucci; Judith L. Eglin; Claudia Turro","Photoinduced One-Electron Reduction of Alkyl Halides by Dirhodium(II,II) Tetraformamidinates and a Related Complex with Visible Light","Inorganic Chemistry","2005","44","","5388","5396","10.1021/ic048377j","","","0.71073","MoKα","","0.0708","0.0402","","","0.1034","0.1136","","","","","","1.089","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309248","12.169","0.0012","17.9743","0.0017","8.798","0.0009","90","","99.699","0.002","90","","1896.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4b","","- C18 H29 N O2 Sn -","- C18 H29 N O2 Sn -","- C72 H116 N4 O8 Sn4 -","4","1","","Luis S. Zamudio-Rivera; Rocio George-Tellez; Gerson López-Mendoza; Adela Morales-Pacheco; Eugenio Flores; Herbert Höpfl; Victor Barba; Francisco J. Fernández; Nathalie Cabirol; Hiram I. Beltrán","Synthesis, Characterization, Biocide and Toxicological Activities of Di-n-butyl- and Diphenyl-tinIV-Salicyliden-β-Amino Alcohol Derivatives","Inorganic Chemistry","2005","44","","5370","5378","10.1021/ic048628o","","","0.71073","MoKα","","0.0266","0.0239","","","0.0599","0.0614","","","","","","1.06","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309249","9.4206","0.0012","17.69","0.002","11.6191","0.0015","90","","100.862","0.002","90","","1901.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4c","","- C19 H31 N O2 Sn -","- C19 H31 N O2 Sn -","- C76 H124 N4 O8 Sn4 -","4","1","","Luis S. Zamudio-Rivera; Rocio George-Tellez; Gerson López-Mendoza; Adela Morales-Pacheco; Eugenio Flores; Herbert Höpfl; Victor Barba; Francisco J. Fernández; Nathalie Cabirol; Hiram I. Beltrán","Synthesis, Characterization, Biocide and Toxicological Activities of Di-n-butyl- and Diphenyl-tinIV-Salicyliden-β-Amino Alcohol Derivatives","Inorganic Chemistry","2005","44","","5370","5378","10.1021/ic048628o","","","0.71073","MoKα","","0.042","0.0345","","","0.0716","0.0744","","","","","","1.083","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309250","9.0118","0.0011","9.4311","0.0011","11.2241","0.0013","86.643","0.002","78.387","0.002","70.979","0.002","883.38","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5a","","- C21 H19 N O2 Sn -","- C21 H19 N O2 Sn -","- C42 H38 N2 O4 Sn2 -","2","1","","Luis S. Zamudio-Rivera; Rocio George-Tellez; Gerson López-Mendoza; Adela Morales-Pacheco; Eugenio Flores; Herbert Höpfl; Victor Barba; Francisco J. Fernández; Nathalie Cabirol; Hiram I. Beltrán","Synthesis, Characterization, Biocide and Toxicological Activities of Di-n-butyl- and Diphenyl-tinIV-Salicyliden-β-Amino Alcohol Derivatives","Inorganic Chemistry","2005","44","","5370","5378","10.1021/ic048628o","","","0.71073","MoKα","","0.0222","0.0215","","","0.0531","0.0536","","","","","","1.057","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309251","16.3162","0.0014","10.1829","0.0009","24.627","0.002","90","","93.682","0.002","90","","4083.2","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5c","","- C23 H24 N O2.5 Sn -","- C23 H24 N O2.5 Sn -","- C184 H192 N8 O20 Sn8 -","8","1","","Luis S. Zamudio-Rivera; Rocio George-Tellez; Gerson López-Mendoza; Adela Morales-Pacheco; Eugenio Flores; Herbert Höpfl; Victor Barba; Francisco J. Fernández; Nathalie Cabirol; Hiram I. Beltrán","Synthesis, Characterization, Biocide and Toxicological Activities of Di-n-butyl- and Diphenyl-tinIV-Salicyliden-β-Amino Alcohol Derivatives","Inorganic Chemistry","2005","44","","5370","5378","10.1021/ic048628o","","","0.71073","MoKα","","0.0276","0.0255","","","0.0579","0.0589","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309252","9.0485","0.0018","10.702","0.002","11.459","0.002","70.9","0.03","74.33","0.03","71.59","0.03","977.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Bi0 N Sb -","- C25 H22 N Sb -","- C50 H44 N2 Sb2 -","2","1","","May C. Copsey; Sabrina B. Gallon; Sara K. Grocott; John C. Jeffery; Christopher A. Russell; John M. Slattery","Synthetic and Structural Studies of Cyclodistib(V)azanes","Inorganic Chemistry","2005","44","","5495","5500","10.1021/ic050127v","","","0.71073","MoKα","","0.0233","0.0206","","","0.0473","0.0479","","","","","","0.998","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309253","11.9894","0.0015","17.422","0.002","10.3495","0.0013","90","","92.874","0.002","90","","2159.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 N4 Sb2 -","- C52 H50 N4 Sb2 -","- C104 H100 N8 Sb4 -","2","0.5","","May C. Copsey; Sabrina B. Gallon; Sara K. Grocott; John C. Jeffery; Christopher A. Russell; John M. Slattery","Synthetic and Structural Studies of Cyclodistib(V)azanes","Inorganic Chemistry","2005","44","","5495","5500","10.1021/ic050127v","","","0.71073","MoKα","","0.0328","0.0209","","","0.0475","0.0645","","","","","","1.044","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309254","10.6394","0.0013","11.3319","0.0014","15.5579","0.0019","77.251","0.002","75.6","0.002","84.373","0.002","1770.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H49 N2 O3 Sb -","- C38 H49 N2 O3 Sb -","- C76 H98 N4 O6 Sb2 -","2","1","","May C. Copsey; Sabrina B. Gallon; Sara K. Grocott; John C. Jeffery; Christopher A. Russell; John M. Slattery","Synthetic and Structural Studies of Cyclodistib(V)azanes","Inorganic Chemistry","2005","44","","5495","5500","10.1021/ic050127v","","","0.71073","MoKα","","0.0706","0.0396","","","0.0805","0.0983","","","","","","1.011","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309255","16.7385","0.0006","13.1417","0.0004","21.354","0.0007","90","","112.542","0.002","90","","4338.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H33 N2 Sb -","- C24 H33 N2 Sb -","- C192 H264 N16 Sb8 -","8","1","","May C. Copsey; Sabrina B. Gallon; Sara K. Grocott; John C. Jeffery; Christopher A. Russell; John M. Slattery","Synthetic and Structural Studies of Cyclodistib(V)azanes","Inorganic Chemistry","2005","44","","5495","5500","10.1021/ic050127v","","","0.71073","MoKα","","0.029","0.0267","","","0.0706","0.0719","","","","","","1.094","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309256","11.664","0.002","10.549","0.002","14.024","0.003","90","","109.34","0.03","90","","1628.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl N Sb -","- C19 H17 Cl N Sb -","- C76 H68 Cl4 N4 Sb4 -","4","1","","May C. Copsey; Sabrina B. Gallon; Sara K. Grocott; John C. Jeffery; Christopher A. Russell; John M. Slattery","Synthetic and Structural Studies of Cyclodistib(V)azanes","Inorganic Chemistry","2005","44","","5495","5500","10.1021/ic050127v","","","0.71073","MoKα","","0.0242","0.021","","","0.0495","0.0506","","","","","","1.039","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309257","12.6341","0.0012","8.0536","0.0007","23.669","0.002","90","","100.343","0.006","90","","2369.2","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H18 N2 O15 Re2 S2 -","- C16 H16 N2 O15 Re2 S2 -","- C64 H64 N8 O60 Re8 S8 -","4","1","","Haiyang He; Malgorzata Lipowska; Xiaolong Xu; Andrew T. Taylor; Maria Carlone; Luigi G. Marzilli","Re(CO)3 Complexes Synthesized via an Improved Preparation of Aqueous fac-[Re(CO)3(H2O)3]+ as an Aid in Assessing 99mTc Imaging Agents. Structural Characterization and Solution Behavior of Complexes with Thioether-Bearing Amino Acids as Tridentate Ligands","Inorganic Chemistry","2005","44","","5437","5446","10.1021/ic0501869","","","1.54178","CuKα","","0.0523","0.0502","","","0.1261","0.1273","","","","","","1.062","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309258","7.3324","0.0001","21.4514","0.0003","7.4827","0.0001","90","","100.619","0.001","90","","1156.8","0.03","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O15 Re2 S2 -","- C16 H18 N2 O15 Re2 S2 -","- C32 H36 N4 O30 Re4 S4 -","2","1","","Haiyang He; Malgorzata Lipowska; Xiaolong Xu; Andrew T. Taylor; Maria Carlone; Luigi G. Marzilli","Re(CO)3 Complexes Synthesized via an Improved Preparation of Aqueous fac-[Re(CO)3(H2O)3]+ as an Aid in Assessing 99mTc Imaging Agents. Structural Characterization and Solution Behavior of Complexes with Thioether-Bearing Amino Acids as Tridentate Ligands","Inorganic Chemistry","2005","44","","5437","5446","10.1021/ic0501869","","","1.54178","CuKα","","0.0397","0.0396","","","0.1011","0.1011","","","","","","1.099","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309259","14.1703","0.0002","7.9202","0.0001","10.9282","0.0002","90","","106.953","0.001","90","","1173.19","0.03","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N O5 Re S -","- C8 H10 N O5 Re S -","- C32 H40 N4 O20 Re4 S4 -","4","1","","Haiyang He; Malgorzata Lipowska; Xiaolong Xu; Andrew T. Taylor; Maria Carlone; Luigi G. Marzilli","Re(CO)3 Complexes Synthesized via an Improved Preparation of Aqueous fac-[Re(CO)3(H2O)3]+ as an Aid in Assessing 99mTc Imaging Agents. Structural Characterization and Solution Behavior of Complexes with Thioether-Bearing Amino Acids as Tridentate Ligands","Inorganic Chemistry","2005","44","","5437","5446","10.1021/ic0501869","","","1.54178","CuKα","","0.0456","0.0439","","","0.1121","0.1139","","","","","","1.114","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309260","31.371","0.002","6.1718","0.0004","29.357","0.002","90","","117.122","0.003","90","","5058.9","0.6","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C9 H12 N O5 Re S -","- C9 H12 N O5 Re S -","- C144 H192 N16 O80 Re16 S16 -","16","4","","Haiyang He; Malgorzata Lipowska; Xiaolong Xu; Andrew T. Taylor; Maria Carlone; Luigi G. Marzilli","Re(CO)3 Complexes Synthesized via an Improved Preparation of Aqueous fac-[Re(CO)3(H2O)3]+ as an Aid in Assessing 99mTc Imaging Agents. Structural Characterization and Solution Behavior of Complexes with Thioether-Bearing Amino Acids as Tridentate Ligands","Inorganic Chemistry","2005","44","","5437","5446","10.1021/ic0501869","","","0.71073","MoKα","","0.0551","0.0484","","","0.0909","0.093","","","","","","1.152","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309261","29.031","0.009","9.611","0.003","21.122","0.007","90","","131.954","0.006","90","","4383","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 Co2 Fe2 N13 O0.5 S4 -","- C34 H40 Co2 Fe2 N13 O0.5 S4 -","- C136 H160 Co8 Fe8 N52 O2 S16 -","4","0.5","","Ming-xue Li; Yan Bai; Bing-guang Zhang; Chun-ying Duan; Jian Xu; Qing-jin Meng","Heterometallic Compounds Assembled from Ferrocene-Containing Bisthiosemicarbazone Clips","Inorganic Chemistry","2005","44","","5459","5466","10.1021/ic0502067","","","0.71073","MoKα","","0.2096","0.0735","","","0.1424","0.2082","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309262","9.132","0.003","11.341","0.004","15.147","0.005","68.733","0.006","86.907","0.007","71.148","0.007","1379.9","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H32 Cd Fe N8 O2 S2 -","- C22 H32 Cd Fe N8 O2 S2 -","- C44 H64 Cd2 Fe2 N16 O4 S4 -","2","1","","Ming-xue Li; Yan Bai; Bing-guang Zhang; Chun-ying Duan; Jian Xu; Qing-jin Meng","Heterometallic Compounds Assembled from Ferrocene-Containing Bisthiosemicarbazone Clips","Inorganic Chemistry","2005","44","","5459","5466","10.1021/ic0502067","","","0.71073","MoKα","","0.2341","0.0751","","","0.1492","0.2015","","","","","","1.046","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309263","17.146","0.017","33.15","0.03","17.399","0.017","90","","95.819","0.017","90","","9838","16","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71.5 H92 Cu8 Fe4 N26 O3.5 S8 -","- C71.5 H88 Cu8 Fe4 N26 O3.5 S8 -","- C286 H352 Cu32 Fe16 N104 O14 S32 -","4","2","","Ming-xue Li; Yan Bai; Bing-guang Zhang; Chun-ying Duan; Jian Xu; Qing-jin Meng","Heterometallic Compounds Assembled from Ferrocene-Containing Bisthiosemicarbazone Clips","Inorganic Chemistry","2005","44","","5459","5466","10.1021/ic0502067","","","0.71073","MoKα","","0.1091","0.0667","","","0.151","0.1604","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309264","9.739","0.005","9.498","0.005","15.94","0.008","90","","90","","90","","1474.5","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H2 Fe O7 P2 -","- C2 H7 Fe O7 P2 -","- C16 H56 Fe8 O56 P16 -","8","1","","Crystal A. Merrill; Anthony K. Cheetham","Pillared Layered Structures Based upon M(III) Ethylene Diphosphonates: The Synthesis and Crystal Structures of MIII(H2O)(HO3P(CH2)2PO3) (M = Fe, Al, Ga)","Inorganic Chemistry","2005","44","","5273","5277","10.1021/ic0502269","","","0.71073","MoKα","","0.0591","0.0379","","","0.0918","0.0996","","","","","","0.988","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309265","19.617","0.0008","19.617","0.0008","23.2168","0.0014","90","","90","","120","","7737.5","0.6","173","2","173","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C69 H96 N6 Ni3 O6 -","- C69 H96 N6 Ni3 O6 -","- C276 H384 N24 Ni12 O24 -","4","0.333333","","Thorsten Glaser; Maik Heidemeier; Roland Fröhlich; Peter Hildebrandt; Eberhart Bothe; Eckhard Bill","Trinuclear Nickel Complexes with Triplesalen Ligands: Simultaneous Occurrence of Mixed Valence and Valence Tautomerism in the Oxidized Species","Inorganic Chemistry","2005","44","","5467","5482","10.1021/ic050268x","","","0.71073","MoKα","","0.0557","0.0374","","","0.1028","0.1066","","","","","","0.927","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309266","14.489","0.001","14.606","0.001","15.744","0.001","112.06","0.01","109.85","0.01","91.59","0.01","2858","0.5","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H66 N12 Ni3 O15 -","- C54 H66 N12 Ni3 O15 -","- C108 H132 N24 Ni6 O30 -","2","1","","Thorsten Glaser; Maik Heidemeier; Roland Fröhlich; Peter Hildebrandt; Eberhart Bothe; Eckhard Bill","Trinuclear Nickel Complexes with Triplesalen Ligands: Simultaneous Occurrence of Mixed Valence and Valence Tautomerism in the Oxidized Species","Inorganic Chemistry","2005","44","","5467","5482","10.1021/ic050268x","","","0.71073","MoKα","","0.1005","0.0678","","","0.1821","0.2045","","","","","","1.024","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309267","20.147","0.003","14.825","0.003","21.798","0.003","90","","99.13","0.02","90","","6428.1","1.9","100","1","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H82 Ba O14 -","- C70 H82 Ba O14 -","- C280 H328 Ba4 O56 -","4","1","","Józef Utko; Sławomir Szafert; Lucjan B. Jerzykiewicz; Piotr Sobota","Synthesis of Homoleptic Barium Alkoxides and Aryloxides and Their Reactions with Al(CH3)3: a Convenient Route to Heterometallic Species","Inorganic Chemistry","2005","44","","5194","5196","10.1021/ic0503129","","","0.71073","MoKα","","0.0791","0.044","","","0.0736","0.08","","","","","","1.006","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309268","9.568","0.002","9.764","0.002","11.541","0.002","69.95","0.01","77.33","0.01","60.93","0.01","883.4","0.3","100","1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H28 Ba O9 -","- C12 H28 Ba O9 -","- C24 H56 Ba2 O18 -","2","1","","Józef Utko; Sławomir Szafert; Lucjan B. Jerzykiewicz; Piotr Sobota","Synthesis of Homoleptic Barium Alkoxides and Aryloxides and Their Reactions with Al(CH3)3: a Convenient Route to Heterometallic Species","Inorganic Chemistry","2005","44","","5194","5196","10.1021/ic0503129","","","0.71073","MoKα","","0.0332","0.0275","","","0.0639","0.0661","","","","","","1.039","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309269","12.5","0.002","17.71","0.002","20.468","0.002","90","","103.25","0.01","90","","4410.5","1","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Al2 Ba O8 -","- C44 H56 Al2 Ba O8 -","- C176 H224 Al8 Ba4 O32 -","4","0.5","","Józef Utko; Sławomir Szafert; Lucjan B. Jerzykiewicz; Piotr Sobota","Synthesis of Homoleptic Barium Alkoxides and Aryloxides and Their Reactions with Al(CH3)3: a Convenient Route to Heterometallic Species","Inorganic Chemistry","2005","44","","5194","5196","10.1021/ic0503129","","","0.71073","MoKα","","0.0434","0.0381","","","0.0747","0.0766","","","","","","1.115","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309270","10.698","0.003","38.025","0.006","10.968","0.003","90","","97.99","0.03","90","","4418.4","1.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C75 H120 Al4 Ba2 O12 -","- C75 H120 Al4 Ba2 O12 -","- C150 H240 Al8 Ba4 O24 -","2","1","","Józef Utko; Sławomir Szafert; Lucjan B. Jerzykiewicz; Piotr Sobota","Synthesis of Homoleptic Barium Alkoxides and Aryloxides and Their Reactions with Al(CH3)3: a Convenient Route to Heterometallic Species","Inorganic Chemistry","2005","44","","5194","5196","10.1021/ic0503129","","","0.71073","MoKα","","0.1105","0.0677","","","0.1323","0.145","","","","","","0.931","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309271","13.633","0.0008","13.633","0.0008","12.7744","0.0014","90","","90","","90","","2374.2","0.3","100","2","100","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C10 H60 Cl4 O34 V4 -","- C10 H52 Cl4 O36 V4 -","- C20 H104 Cl8 O72 V8 -","2","0.125","","Fiona H. Fry; Brenda A. Dougan; Nichola McCann; Christopher J. Ziegler; Nicola E. Brasch","Characterization of Novel Vanadium(III)/Acetate Clusters Formed in Aqueous Solution","Inorganic Chemistry","2005","44","","5197","5199","10.1021/ic050336f","","","0.71073","MoKα","","0.0261","0.0255","","","0.061","0.0613","","","","","","1.16","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309272","13.6094","0.0014","23.118","0.002","9.134","0.001","90","","90","","90","","2873.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H31 Cl O19.5 V3 -","- C12 H24 Cl O16 V3 -","- C48 H96 Cl4 O64 V12 -","4","1","","Fiona H. Fry; Brenda A. Dougan; Nichola McCann; Christopher J. Ziegler; Nicola E. Brasch","Characterization of Novel Vanadium(III)/Acetate Clusters Formed in Aqueous Solution","Inorganic Chemistry","2005","44","","5197","5199","10.1021/ic050336f","","","0.71073","MoKα","","0.0453","0.0431","","","0.1083","0.1094","","","","","","1.064","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309273","17.7698","0.0011","17.7698","0.0011","11.39","0.0014","90","","90","","90","","3596.6","0.5","100","2","100","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C8 H38 Cl4 O23 V4 -","- C8 H32 Cl3.138 O22.1 V4 -","- C32 H128 Cl12.552 O88.4 V16 -","4","0.25","","Fiona H. Fry; Brenda A. Dougan; Nichola McCann; Christopher J. Ziegler; Nicola E. Brasch","Characterization of Novel Vanadium(III)/Acetate Clusters Formed in Aqueous Solution","Inorganic Chemistry","2005","44","","5197","5199","10.1021/ic050336f","","","0.71073","MoKα","","0.0888","0.0843","","","0.2104","0.2126","","","","","","1.08","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309274","17.6019","0.0012","17.6019","0.0012","17.6019","0.0012","90","","90","","90","","5453.5","0.6","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C12 H20 N24 O Zn3 -","- C12 H36 N24 O Zn3 -","- C96 H288 N192 O8 Zn24 -","8","0.0416667","","Xi-Sen Wang; Yun-Zhi Tang; Xue-Feng Huang; Zhi-Rong Qu; Chi-Ming Che; Philip Wai Hong Chan; Ren-Gen Xiong","Syntheses, Crystal Structures, and Luminescent Properties of Three Novel Zinc Coordination Polymers with Tetrazolyl Ligands","Inorganic Chemistry","2005","44","","5278","5285","10.1021/ic050354x","","","0.71073","MoKα","","0.0692","0.0425","","","0.111","0.1282","","","","","","0.921","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309275","9.885","0.002","9.536","0.002","13.724","0.003","90","","90","","90","","1293.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H2 N8 Zn -","- C2 H2 N8 Zn -","- C16 H16 N64 Zn8 -","8","1","","Xi-Sen Wang; Yun-Zhi Tang; Xue-Feng Huang; Zhi-Rong Qu; Chi-Ming Che; Philip Wai Hong Chan; Ren-Gen Xiong","Syntheses, Crystal Structures, and Luminescent Properties of Three Novel Zinc Coordination Polymers with Tetrazolyl Ligands","Inorganic Chemistry","2005","44","","5278","5285","10.1021/ic050354x","","","0.71073","MoKα","","0.04","0.0274","","","0.0596","0.063","","","","","","0.918","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309276","10.158","0.0011","13.9511","0.0015","25.643","0.003","90","","90","","90","","3634","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H14 N8 Zn -","- C16 H14 N8 Zn -","- C128 H112 N64 Zn8 -","8","1","","Xi-Sen Wang; Yun-Zhi Tang; Xue-Feng Huang; Zhi-Rong Qu; Chi-Ming Che; Philip Wai Hong Chan; Ren-Gen Xiong","Syntheses, Crystal Structures, and Luminescent Properties of Three Novel Zinc Coordination Polymers with Tetrazolyl Ligands","Inorganic Chemistry","2005","44","","5278","5285","10.1021/ic050354x","","","0.71073","MoKα","","0.2637","0.0534","","","0.0689","0.1072","","","","","","0.692","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309277","18.519","0.004","18.895","0.004","26.169","0.005","70.073","0.002","72.616","0.002","73.364","0.003","8040","3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C115 H14 Cl6 F80 Mn12 O48 -","- C112 F80 Mn12 O48 -","- C224 F160 Mn24 O96 -","2","1","","Nicole E. Chakov; Mònica Soler; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Single-Molecule Magnets: Structural Characterization, Magnetic Properties, and 19F NMR Spectroscopy of a Mn12 Family Spanning Three Oxidation Levels","Inorganic Chemistry","2005","44","","5304","5321","10.1021/ic050379w","","","0.71073","MoKα","","0.1499","0.088","","","0.2179","0.2379","","","","","","1.117","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309278","33.6633","0.0002","17.3311","0.0009","27.2564","0.0002","90","","94.209","0.0002","90","","15859.1","0.8","193","2","193","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C120.5 H30 Cl9 F80 Mn12 N O48.5 -","- C120.677 H24.854 Cl9.354 F80 Mn12 N O48.495 -","- C482.708 H99.416 Cl37.416 F320 Mn48 N4 O193.98 -","4","1","","Nicole E. Chakov; Mònica Soler; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Single-Molecule Magnets: Structural Characterization, Magnetic Properties, and 19F NMR Spectroscopy of a Mn12 Family Spanning Three Oxidation Levels","Inorganic Chemistry","2005","44","","5304","5321","10.1021/ic050379w","","","0.71073","MoKα","","0.1307","0.0534","","","0.1325","0.1599","","","","","","0.954","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309279","21.7892","0.0015","27.0937","0.0019","31.623","0.002","90","","91.64","0.002","90","","18661","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C162 H80 F80 Mn12 N2 O48 -","- C162.5 H59.5 F80 Mn12 N2 O48 -","- C650 H238 F320 Mn48 N8 O192 -","4","0.5","","Nicole E. Chakov; Mònica Soler; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Single-Molecule Magnets: Structural Characterization, Magnetic Properties, and 19F NMR Spectroscopy of a Mn12 Family Spanning Three Oxidation Levels","Inorganic Chemistry","2005","44","","5304","5321","10.1021/ic050379w","","","0.71073","MoKα","","0.2051","0.0581","","","0.1431","0.1732","","","","","","0.868","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309280","16.097","0.003","6.6992","0.0013","4.2712","0.0009","90","","90","","90","","460.59","0.16","90","2","90","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Eu3 In2 P4 -","- Eu3 In2 P4 -","- Eu6 In4 P8 -","2","0.25","","Jiong Jiang; Marilyn M. Olmstead; Susan M. Kauzlarich; Han-Oh Lee; Peter Klavins; Zachary Fisk","Negative Magnetoresistance in a Magnetic Semiconducting Zintl Phase: Eu3In2P4","Inorganic Chemistry","2005","44","","5322","5327","10.1021/ic0504036","","","0.71073","MoKα","","0.0159","0.0159","","","0.0418","0.0418","","","","","","2.179","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4309281","5.3918","0.0014","14.932","0.004","9.11","0.003","90","","98.685","0.002","90","","725","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cl Cu Dy O6 Te2 -","- Cl Cu Dy O6 Te2 -","- Cl4 Cu4 Dy4 O24 Te8 -","4","1","","Yue-Ling Shen; Jiang-Gao Mao","Syntheses, Crystal Structures, and Properties of Six New Lanthanide(III) Transition Metal Tellurium(IV) Oxyhalides with Three Types of Structures","Inorganic Chemistry","2005","44","","5328","5335","10.1021/ic050420v","","","0.71073","MoKα","","0.021","0.0192","","","0.0458","0.0466","","","","","","1.084","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309282","5.3845","0.0004","14.904","0.0012","9.1079","0.0005","90","","98.684","0.003","90","","722.54","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cl Cu Er O6 Te2 -","- Cl Cu Er O6 Te2 -","- Cl4 Cu4 Er4 O24 Te8 -","4","1","","Yue-Ling Shen; Jiang-Gao Mao","Syntheses, Crystal Structures, and Properties of Six New Lanthanide(III) Transition Metal Tellurium(IV) Oxyhalides with Three Types of Structures","Inorganic Chemistry","2005","44","","5328","5335","10.1021/ic050420v","","","0.71073","MoKα","","0.0863","0.0637","","","0.1271","0.1395","","","","","","1.132","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309283","5.392","0.002","14.918","0.006","9.317","0.004","90","","97.67","0.004","90","","742.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Br Cu Er O6 Te2 -","- Br Cu Er O6 Te2 -","- Br4 Cu4 Er4 O24 Te8 -","4","1","","Yue-Ling Shen; Jiang-Gao Mao","Syntheses, Crystal Structures, and Properties of Six New Lanthanide(III) Transition Metal Tellurium(IV) Oxyhalides with Three Types of Structures","Inorganic Chemistry","2005","44","","5328","5335","10.1021/ic050420v","","","0.71073","MoKα","","0.0321","0.0304","","","0.0716","0.0728","","","","","","1.122","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309284","15.202","0.004","5.5801","0.0013","17.982","0.004","90","","104.286","0.003","90","","1478.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cl2 Mn O13 Sm2 Te5 -","- Cl2 Mn O13 Sm2 Te5 -","- Cl8 Mn4 O52 Sm8 Te20 -","4","1","","Yue-Ling Shen; Jiang-Gao Mao","Syntheses, Crystal Structures, and Properties of Six New Lanthanide(III) Transition Metal Tellurium(IV) Oxyhalides with Three Types of Structures","Inorganic Chemistry","2005","44","","5328","5335","10.1021/ic050420v","","","0.71073","MoKα","","0.0336","0.0282","","","0.0634","0.0656","","","","","","1.05","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309285","15.397","0.004","5.4637","0.0013","17.838","0.005","90","","104.577","0.002","90","","1452.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Br2 Cu Dy2 O13 Te5 -","- Br2 Cu Dy2 O13 Te5 -","- Br8 Cu4 Dy8 O52 Te20 -","4","1","","Yue-Ling Shen; Jiang-Gao Mao","Syntheses, Crystal Structures, and Properties of Six New Lanthanide(III) Transition Metal Tellurium(IV) Oxyhalides with Three Types of Structures","Inorganic Chemistry","2005","44","","5328","5335","10.1021/ic050420v","","","0.71073","MoKα","","0.0378","0.0317","","","0.0754","0.0789","","","","","","1.099","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309286","17.719","0.008","5.663","0.002","19.39","0.012","90","","103.573","0.003","90","","1891.3","1.6","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- Cl3 Cu Nd4 O15 Te5 -","- Cl3 Cu Nd4 O15 Te5 -","- Cl12 Cu4 Nd16 O60 Te20 -","4","1","","Yue-Ling Shen; Jiang-Gao Mao","Syntheses, Crystal Structures, and Properties of Six New Lanthanide(III) Transition Metal Tellurium(IV) Oxyhalides with Three Types of Structures","Inorganic Chemistry","2005","44","","5328","5335","10.1021/ic050420v","","","0.71073","MoKα","","0.0364","0.0304","","","0.055","0.0576","","","","","","1.003","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309287","14.545","0.003","8.514","0.005","8.5619","0.0014","90","","90","","90","","1060.3","0.7","140","2","153","2","","","","","","","","5","P c c 2","P 2 -2c","27","","","","- C14 H22 N4 O12 Sr -","- C14 H22 N4 O12 Sr -","- C28 H44 N8 O24 Sr2 -","2","0.5","","Zhaofu Fei; Tilmann J. Geldbach; Dongbin Zhao; Rosario Scopelliti; Paul J. Dyson","A Nearly Planar Water Sheet Sandwiched between Strontium-Imidazolium Carboxylate Coordination Polymers","Inorganic Chemistry","2005","44","","5200","5202","10.1021/ic0504238","","","0.71073","MoKα","","0.0365","0.0327","","","0.0792","0.0809","","","","","","1.018","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309288","9.707","0.002","12.937","0.003","15.528","0.003","71.92","0.03","86.56","0.03","81.4","0.03","1832.7","0.8","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H47 Cl3 Li N4 O4 S2 Y -","- C28 H47 Cl3 Li N4 O4 S2 Y -","- C56 H94 Cl6 Li2 N8 O8 S4 Y2 -","2","1","","Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis Sánchez-Barba; Emilia Martínez-Caballero; Ana M. Rodríguez; Isabel López-Solera","First Complexes of Scandium and Yttrium with NNO and NNS Heteroscorpionate Ligands","Inorganic Chemistry","2005","44","","5336","5344","10.1021/ic050525y","","","0.71073","MoKα","","0.1965","0.0735","","","0.1737","0.2038","","","","","","1.182","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309289","9.614","0.004","13.016","0.005","15.496","0.007","71.65","0.04","86.5","0.04","80.98","0.03","1817.6","1.4","230","2","230","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H47 Cl3 Li N4 O4 S2 Sc -","- C28 H47 Cl3 Li N4 O4 S2 Sc -","- C56 H94 Cl6 Li2 N8 O8 S4 Sc2 -","2","1","","Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis Sánchez-Barba; Emilia Martínez-Caballero; Ana M. Rodríguez; Isabel López-Solera","First Complexes of Scandium and Yttrium with NNO and NNS Heteroscorpionate Ligands","Inorganic Chemistry","2005","44","","5336","5344","10.1021/ic050525y","","","0.71073","MoKα","","0.2853","0.0841","","","0.1764","0.2493","","","","","","0.946","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4309290","10.4233","0.0025","11.6807","0.0029","15.3942","0.0039","80.1361","0.01","78.3889","0.0096","77.3611","0.0099","1775.5","0.8","153.15","","","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H62 F12 N12 O4 Ru2 S3 Sb2 -","- C64 H62 F12 N12 O4 Ru2 S3 Sb2 -","- C64 H62 F12 N12 O4 Ru2 S3 Sb2 -","1","0.5","","Hidenori Tannai; Kiyoshi Tsuge; Yoichi Sasaki","Switching of the Electronic Communication between Two {Ru(trpy)(bpy)} (trpy = 2,2':6',2''-Terpyridine and bpy = 2,2'-Bipyridine) Centers by Protonation on the Bridging Dimercaptothiadiazolato Ligand","Inorganic Chemistry","2005","44","","5206","5208","10.1021/ic050672w","","","0.7107","MoKα","","","0.0759","","","","0.1968","","","","","","1.775","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309291","7.1641","0.0017","10.52","0.003","11.561","0.003","90","","90.179","0.005","90","","871.3","0.4","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- I O10 Pu2 -","- I O10 Pu2 -","- I4 O40 Pu8 -","4","1","","Amanda C. Bean; Kent Abney; Brian L. Scott; Wolfgang Runde","Structural Characterization of the First Hydroxo-Bridged Plutonium Compound, (PuO2)2(IO3)(μ2-OH)3","Inorganic Chemistry","2005","44","","5209","5211","10.1021/ic0507464","","","0.71073","MoKα","","0.0396","0.0388","","","0.1268","0.1278","","","","","","1.614","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309292","8.3444","0.0004","9.5921","0.0004","15.6799","0.0009","83.8","0.01","83.23","0.01","66.76","0.01","1142.55","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C47 H58 As Cu S4 -","- C47 H58 As Cu S4 -","- C47 H58 As Cu S4 -","1","1","","Kallol Ray; Thomas Weyhermüller; Frank Neese; Karl Wieghardt","Electronic Structure of Square Planar Bis(benzene-1,2-dithiolato)metal Complexes [M(L)2]z (z= 2-, 1-, 0; M = Ni, Pd, Pt, Cu, Au): An Experimental, Density Functional, and Correlated ab Initio Study","Inorganic Chemistry","2005","44","","5345","5360","10.1021/ic0507565","","","0.71073","MoKα","","0.0538","0.0471","","0.1166","0.1112","","","","1.021","1.026","1.026","","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309293","26.438","0.002","10.1521","0.0008","18.098","0.002","90","","102.79","0.01","90","","4737","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H76 N Pd S4 -","- C44 H76 N Pd S4 -","- C176 H304 N4 Pd4 S16 -","4","0.5","","Kallol Ray; Thomas Weyhermüller; Frank Neese; Karl Wieghardt","Electronic Structure of Square Planar Bis(benzene-1,2-dithiolato)metal Complexes [M(L)2]z (z= 2-, 1-, 0; M = Ni, Pd, Pt, Cu, Au): An Experimental, Density Functional, and Correlated ab Initio Study","Inorganic Chemistry","2005","44","","5345","5360","10.1021/ic0507565","","","0.71073","MoKα","","0.0534","0.0363","","","0.0647","0.07","","","","","","1.04","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309294","11.0521","0.0006","14.7262","0.0008","14.9977","0.0008","90","","95.13","0.01","90","","2431.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 P2 Pd S4 -","- C60 H48 P2 Pd S4 -","- C120 H96 P4 Pd2 S8 -","2","0.5","","Kallol Ray; Thomas Weyhermüller; Frank Neese; Karl Wieghardt","Electronic Structure of Square Planar Bis(benzene-1,2-dithiolato)metal Complexes [M(L)2]z (z= 2-, 1-, 0; M = Ni, Pd, Pt, Cu, Au): An Experimental, Density Functional, and Correlated ab Initio Study","Inorganic Chemistry","2005","44","","5345","5360","10.1021/ic0507565","","","0.71073","MoKα","","0.0652","0.0408","","0.087","0.0768","","","","1.045","1.075","1.075","","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309295","4.8273","0.001","28.9486","0.001","15.0062","0.001","90","","90","","90","","2097","0.5","293","","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Li6Eu5Sn9","","","- Eu5 Li6 Sn9 -","- Eu5 Li6 Sn9 -","- Eu20 Li24 Sn36 -","4","0.25","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3","Inorganic Chemistry","2005","44","","5361","5369","10.1021/ic050803t","","","0.71073","MoKα","","0.044","0.0297","","","0.0621","0.067","","","","","","1.144","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309296","4.6665","0.001","17.0592","0.001","31.619","0.001","90","","90","","90","","2517.1","0.6","293","","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Li5Ca7Sn11","","","- Ca7 Li5 Sn11 -","- Ca7 Li5 Sn11 -","- Ca28 Li20 Sn44 -","4","0.25","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3","Inorganic Chemistry","2005","44","","5361","5369","10.1021/ic050803t","","","0.71073","MoKα","","0.0657","0.0365","","","0.08","0.0909","","","","","","1.018","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309297","4.6401","0.001","27.1116","0.001","11.4906","0.001","90","","90","","90","","1445.5","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Li8.84CaSn6.16","","","- Ca Li8.84 Sn6.16 -","- Ca Li8.84 Sn6.16 -","- Ca4 Li35.36 Sn24.64 -","4","0.25","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3","Inorganic Chemistry","2005","44","","5361","5369","10.1021/ic050803t","","","0.71073","MoKα","","0.0384","0.0328","","","0.0823","0.0868","","","","","","1.084","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309298","4.723","0.001","27.125","0.001","11.4358","0.001","90","","90","","90","","1465.1","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Li8.71EuSn6.29","","","- Eu Li8.71 Sn6.29 -","- Eu Li8.708 Sn6.292 -","- Eu4 Li34.832 Sn25.168 -","4","0.25","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3","Inorganic Chemistry","2005","44","","5361","5369","10.1021/ic050803t","","","0.71073","MoKα","","0.0507","0.0447","","","0.1079","0.1109","","","","","","1.151","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309299","4.7822","0.001","20.7174","0.001","7.7428","0.001","90","","90","","90","","767.12","0.19","293","","293","2","","","","","","","","4","C m c m","-C 2c 2","63","LiMgEu2Sn3","","","- Eu Li0.5 Mg0.5 Sn1.5 -","- Eu Li0.45 Mg0.55 Sn1.5 -","- Eu8 Li3.6 Mg4.4 Sn12 -","8","0.5","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3","Inorganic Chemistry","2005","44","","5361","5369","10.1021/ic050803t","","","0.71073","MoKα","","0.0279","0.0266","","","0.0726","0.0733","","","","","","1.189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309300","4.8433","0.001","20.9227","0.001","7.8045","0.001","90","","90","","90","","790.9","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","LiMgSr2Sn3","","","- Li Mg Sn3 Sr2 -","- Li0.74 Mg1.26 Sn3 Sr2 -","- Li2.96 Mg5.04 Sn12 Sr8 -","4","0.25","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3","Inorganic Chemistry","2005","44","","5361","5369","10.1021/ic050803t","","","0.71073","MoKα","","0.0859","0.0822","","","0.1918","0.1975","","","","","","1.201","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309301","21.9832","0.0016","6.8325","0.0005","13.8832","0.001","90","","96.509","0.002","90","","2071.8","0.3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Mo O2 S2 -","- C24 H24 Mo O2 S2 -","- C96 H96 Mo4 O8 S8 -","4","0.5","","Louis Y. Kuo; Angela P. Blum; Michal Sabat","P-S Bond Scission by Bis(cyclopentadienyl)molybdenum(IV) Dichloride, Cp2MoCl2(aq): First Documented Example of an Organometallic Complex Hydrolyzing Thiophosphinates","Inorganic Chemistry","2005","44","","5537","5541","10.1021/ic050819j","","","0.71073","MoKα","","0.0602","0.0413","","","0.0826","0.0882","","","","","","0.988","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309302","11.0341","0.0001","16.2572","0.0003","17.73","0.0003","101.289","0.0007","96.4838","0.001","90.7274","0.001","3097.01","0.08","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C105 H162 Cl10 Fe2 O8 P8 Pt4 -","- C105 H162 Cl10 Fe2 O8 P8 Pt4 -","- C105 H162 Cl10 Fe2 O8 P8 Pt4 -","1","0.5","","Neeladri Das; Atta M. Arif; Peter J. Stang; Monika Sieger; Biprajit Sarkar; Wolfgang Kaim; Jan Fiedler","Self-Assembly of Heterobimetallic Neutral Macrocycles Incorporating Ferrocene Spacer Groups: Spectroelectrochemical Analysis of the Double Two-Electron Oxidation of a Molecular Rectangle","Inorganic Chemistry","2005","44","","5798","5804","10.1021/ic0481834","","","0.71073","MoKα","","0.0586","0.0417","","","0.0923","0.0999","","","","","","1.092","","","","has coordinates,has disorder","179131","2020-10-21","18:00:00",""
"4309303","40.0355","0.0012","10.4098","0.0002","30.4252","0.0009","90","","112.949","0.0009","90","","11676.4","0.5","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C103 H158 Cl6 Fe2 O8 P8 Pt4 -","- C103 H158 Cl6 Fe2 O8 P8 Pt4 -","- C412 H632 Cl24 Fe8 O32 P32 Pt16 -","4","0.5","","Neeladri Das; Atta M. Arif; Peter J. Stang; Monika Sieger; Biprajit Sarkar; Wolfgang Kaim; Jan Fiedler","Self-Assembly of Heterobimetallic Neutral Macrocycles Incorporating Ferrocene Spacer Groups: Spectroelectrochemical Analysis of the Double Two-Electron Oxidation of a Molecular Rectangle","Inorganic Chemistry","2005","44","","5798","5804","10.1021/ic0481834","","","0.71073","MoKα","","0.1018","0.0571","","","0.125","0.1463","","","","","","1.041","","","","has coordinates,has disorder","179131","2020-10-21","18:00:00",""
"4309304","12.7145","0.0002","13.2805","0.0002","14.9862","0.0002","90","","93.3551","0.0009","90","","2526.16","0.06","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H35 Dy Li N4 O14 P -","- C15 H35 Dy Li N4 O14 P -","- C60 H140 Dy4 Li4 N16 O56 P4 -","4","1","","Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš","Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants","Inorganic Chemistry","2005","44","","5591","5599","10.1021/ic048190s","","","0.71073","MoKα","","0.0269","0.0249","","","0.0639","0.065","","","","","","1.107","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309305","8.6769","0.0001","9.416","0.0002","16.8348","0.0003","83.1256","0.0007","83.251","0.0008","67.4943","0.001","1257.68","0.04","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C15 H36 Er N4 O14 P -","- C15 H24 Er N4 O14 P -","- C30 H48 Er2 N8 O28 P2 -","2","1","","Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš","Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants","Inorganic Chemistry","2005","44","","5591","5599","10.1021/ic048190s","","","0.71073","MoKα","","0.0546","0.0523","","","0.1366","0.1384","","","","","","1.095","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309306","12.683","0.0002","13.177","0.0002","14.985","0.0002","90","","93.017","0.001","90","","2500.88","0.06","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H35 Li Lu N4 O14 P -","- C15 H35 Li Lu N4 O14 P -","- C60 H140 Li4 Lu4 N16 O56 P4 -","4","1","","Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš","Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants","Inorganic Chemistry","2005","44","","5591","5599","10.1021/ic048190s","","","0.71073","MoKα","","0.0363","0.0318","","","0.0838","0.0875","","","","","","1.083","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309307","8.732","0.0002","9.313","0.0002","16.883","0.0004","82.742","0.001","83.364","0.001","68.355","0.001","1262.36","0.05","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C15 H38 Lu N4 O15 P -","- C15 H24 Lu N4 O15 P -","- C30 H48 Lu2 N8 O30 P2 -","2","1","","Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš","Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants","Inorganic Chemistry","2005","44","","5591","5599","10.1021/ic048190s","","","0.71073","MoKα","","0.0565","0.0509","","","0.1289","0.1337","","","","","","1.023","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309308","33.968","0.0003","9.192","0.0006","16.913","0.0009","90","","90","","90","","5280.8","0.4","150","2","150","2","","","","","","","synthesized by the authors","8","I b a 2","I 2 -2c","45","","","","- C15 H39.5 Cl0.5 Li N4 O16 P Tb -","- C15 H24 Cl0.5 Li N4 O16 P Tb -","- C120 H192 Cl4 Li8 N32 O128 P8 Tb8 -","8","1","","Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš","Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants","Inorganic Chemistry","2005","44","","5591","5599","10.1021/ic048190s","","","0.71073","MoKα","","0.0515","0.039","","","0.0738","0.0781","","","","","","1.08","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309309","12.711","0.0002","13.259","0.0002","15.009","0.0003","90","","93.298","0.0011","90","","2525.35","0.07","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H35 Li N4 O14 P Y -","- C15 H35 Li N4 O14 P Y -","- C60 H140 Li4 N16 O56 P4 Y4 -","4","1","","Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš","Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants","Inorganic Chemistry","2005","44","","5591","5599","10.1021/ic048190s","","","0.71073","MoKα","","0.0473","0.0309","","","0.0634","0.0688","","","","","","1.022","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309310","13.013","0.003","15.676","0.004","16.321","0.003","90","","94.375","0.017","90","","3319.6","1.3","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H114 Al10 N4 -","- C48 H114 Al10 N4 -","- C96 H228 Al20 N8 -","2","0.5","","Andreas Stasch; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Aluminum Hydride Cations Stabilized by Weakly Coordinating Carbaalanates","Inorganic Chemistry","2005","44","","5854","5857","10.1021/ic048594k","","","0.71073","MoKα","","0.1412","0.0846","","","0.2008","0.2182","","","","","","1.079","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309311","11.9773","0.0011","18.527","0.003","33.662","0.004","90","","90","","90","","7469.7","1.6","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H126 Al9 N3 -","- C63 H126 Al9 N3 -","- C252 H504 Al36 N12 -","4","1","","Andreas Stasch; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Aluminum Hydride Cations Stabilized by Weakly Coordinating Carbaalanates","Inorganic Chemistry","2005","44","","5854","5857","10.1021/ic048594k","","","0.71073","MoKα","","0.0484","0.0404","","","0.0996","0.1033","","","","","","1.026","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309312","9.5082","0.0014","10.6166","0.0015","13.924","0.002","105.886","0.002","98.377","0.002","103.353","0.002","1282.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18 Cl2 Fe N6 O2 S2 -","- C25 H20 Cl2 Fe N6 O2 S2 -","- C50 H40 Cl4 Fe2 N12 O4 S4 -","2","1","","Akhilesh Kumar Singh; Rabindranath Mukherjee","Bivalent and Trivalent Iron Complexes of Acyclic Hexadentate Ligands Providing Pyridyl/Pyrazine-Amide-Thioether Coordination","Inorganic Chemistry","2005","44","","5813","5819","10.1021/ic050057s","","","0.71073","MoKα","","0.0681","0.0474","","","0.1036","0.1114","","","","","","1.041","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309313","10.637","0.0009","14.0882","0.0011","15.7578","0.0013","90","","108.318","0.001","90","","2241.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N4 O2 S2 -","- C26 H20 Fe N4 O2 S2 -","- C104 H80 Fe4 N16 O8 S8 -","4","1","","Akhilesh Kumar Singh; Rabindranath Mukherjee","Bivalent and Trivalent Iron Complexes of Acyclic Hexadentate Ligands Providing Pyridyl/Pyrazine-Amide-Thioether Coordination","Inorganic Chemistry","2005","44","","5813","5819","10.1021/ic050057s","","","0.71073","MoKα","","0.0469","0.042","","","0.095","0.0971","","","","","","1.152","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309314","12.0975","0.0014","14.6414","0.0017","15.1196","0.0017","90","","104.69","0.002","90","","2590.5","0.5","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 B La -","- C26 H46 B La -","- C104 H184 B4 La4 -","4","1","","William J. Evans; Jeremy M. Perotti; Joseph W. Ziller","Trialkylboron/Lanthanide Metallocene Hydride Chemistry: Polydentate Bridging of (HBEt3)- to Lanthanum","Inorganic Chemistry","2005","44","","5820","5825","10.1021/ic0501061","","","0.71073","MoKα","","0.024","0.0184","","","0.0456","0.0488","","","","","","1.055","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4309315","24.84","0.005","11.226","0.002","27.895","0.005","90","","105.442","0.003","90","","7498","2","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 La2 -","- C40 H60 La2 -","- C320 H480 La16 -","8","2","","William J. Evans; Jeremy M. Perotti; Joseph W. Ziller","Trialkylboron/Lanthanide Metallocene Hydride Chemistry: Polydentate Bridging of (HBEt3)- to Lanthanum","Inorganic Chemistry","2005","44","","5820","5825","10.1021/ic0501061","","","0.71073","MoKα","","0.0737","0.0401","","","0.0943","0.1169","","","","","","1.102","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4309316","8.5216","0.0016","10.743","0.002","21.294","0.004","80.713","0.003","79.361","0.003","75.47","0.003","1841","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H42 Cl2 I N4 Yb -","- C37 H42 Cl2 I N4 Yb -","- C74 H84 Cl4 I2 N8 Yb2 -","2","1","","Jacqueline M. Veauthier; Eric J. Schelter; Christopher J. Kuehl; Aurora E. Clark; Brian L. Scott; David E. Morris; Richard L. Martin; J. D. Thompson; Jaqueline L. Kiplinger; Kevin D. John","Ligand Substituent Effect Observed for Ytterbocene 4'-Cyano-2,2':6',2''-terpyridine","Inorganic Chemistry","2005","44","","5911","5920","10.1021/ic050148p","","","0.71073","MoKα","","0.0939","0.0827","","","0.2287","0.2376","","","","","","1.051","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309317","15.9987","0.0015","16.1466","0.0015","21.478","0.002","90","","90","","90","","5548.3","0.9","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C59 H79 I2 N3 O Yb2 -","- C59 H79 I2 N3 O Yb2 -","- C236 H316 I8 N12 O4 Yb8 -","4","1","","Jacqueline M. Veauthier; Eric J. Schelter; Christopher J. Kuehl; Aurora E. Clark; Brian L. Scott; David E. Morris; Richard L. Martin; J. D. Thompson; Jaqueline L. Kiplinger; Kevin D. John","Ligand Substituent Effect Observed for Ytterbocene 4'-Cyano-2,2':6',2''-terpyridine","Inorganic Chemistry","2005","44","","5911","5920","10.1021/ic050148p","","","0.71073","MoKα","","0.0838","0.0487","","","0.1058","0.1127","","","","","","0.917","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309318","15.88","0.003","18.367","0.004","18.158","0.003","90","","112.589","0.004","90","","4889.8","1.6","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H58 Cl3 F6 N3 P Yb -","- C46.5 H57 Cl3 F6 N3 P Yb -","- C186 H228 Cl12 F24 N12 P4 Yb4 -","4","1","","Jacqueline M. Veauthier; Eric J. Schelter; Christopher J. Kuehl; Aurora E. Clark; Brian L. Scott; David E. Morris; Richard L. Martin; J. D. Thompson; Jaqueline L. Kiplinger; Kevin D. John","Ligand Substituent Effect Observed for Ytterbocene 4'-Cyano-2,2':6',2''-terpyridine","Inorganic Chemistry","2005","44","","5911","5920","10.1021/ic050148p","","","0.71073","MoKα","","0.0622","0.0415","","","0.1104","0.1335","","","","","","0.886","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309319","5.9651","0.0011","13.627","0.002","27.819","0.008","90","","102.955","0.012","90","","2203.7","0.8","113.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Fe N2 -","- C28 H28 Fe N2 -","- C112 H112 Fe4 N8 -","4","1","","Masaki Horie; Yuji Suzaki; Kohtaro Osakada","Chemical and Electrochemical Formation of Pseudorotaxanes Composed of Alkyl(ferrocenylmethyl)ammmonium and Dibenzo[24]crown-8","Inorganic Chemistry","2005","44","","5844","5853","10.1021/ic050215f","","","0.7107","MoKα","","","0.037","","","","0.05","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309320","10.1889","0.0013","11.05","0.003","19.46","0.002","87.09","0.03","77.37","0.02","89.02","0.02","2135.1","0.7","93.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Kohtaro Osakada","Chemical and Electrochemical Formation of Pseudorotaxanes Composed of Alkyl(ferrocenylmethyl)ammmonium and Dibenzo[24]crown-8","Inorganic Chemistry","2005","44","","5844","5853","10.1021/ic050215f","","","0.7107","MoKα","","","0.063","","","","0.09","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309321","10.568","0.007","18.641","0.012","22.41","0.02","78.21","0.03","82.02","0.03","69.27","0.02","4031","5","93.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H102 F12 Fe N2 O18 P2 -","- C76 H98 F12 Fe N2 O18 P2 -","- C152 H196 F24 Fe2 N4 O36 P4 -","2","1","","Masaki Horie; Yuji Suzaki; Kohtaro Osakada","Chemical and Electrochemical Formation of Pseudorotaxanes Composed of Alkyl(ferrocenylmethyl)ammmonium and Dibenzo[24]crown-8","Inorganic Chemistry","2005","44","","5844","5853","10.1021/ic050215f","","","0.7107","MoKα","","","0.111","","","","0.138","","","","","","1.342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309322","25.4148","0.0005","7.956","0.0002","28.5906","0.0006","90","","114.266","0.0011","90","","5270.3","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 I4 N2 O2 P2 U -","- C52 H46 I4 N2 O2 P2 U -","- C208 H184 I16 N8 O8 P8 U4 -","4","0.5","","Margaret-Jane Crawford; Peter Mayer","Synthesis, Structural and Computational Investigations of UO2I42-: A Structurally Characterized U(VI)-I Anion","Inorganic Chemistry","2005","44","","5547","5549","10.1021/ic050231c","","","0.71073","MoKα","","0.0618","0.0353","","","0.0737","0.0821","","","","","","1.019","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309323","15.188","0.005","17.395","0.005","20.561","0.005","90","","90","","90","","5432","3","153","2","153","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","FeC60Ph5Cp","","- C96 H30 Fe S2 -","- C96 H30 Fe S2 -","- C384 H120 Fe4 S8 -","4","1","","Rolfe H. Herber; Israel Nowik; Yutaka Matsuo; Motoki Toganoh; Yoichiro Kuninobu; Eiichi Nakamura","Mössbauer Spectroscopy of Bucky Ferrocenes: Lattice Dynamics and Motional Anisotropy of the Metal Atom","Inorganic Chemistry","2005","44","","5629","5635","10.1021/ic050251e","","x-ray","0.71069","MoKα","","0.0619","0.0525","","","0.1367","0.1436","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309324","10.6644","0.0019","21.732","0.004","14.189","0.003","90","","102.815","0.005","90","","3206.5","1.1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H41 Co N6 O7 -","- C30 H41 Co N6 O7 -","- C120 H164 Co4 N24 O28 -","4","1","","Jun Mo Gil; Scott David; Angela L. Reiff; Louis S. Hegedus","Synthesis and Complexation of ""Back-to-Back"" Capped Bis-dioxocyclams","Inorganic Chemistry","2005","44","","5858","5865","10.1021/ic0502731","","","0.71073","MoKα","","0.094","0.0401","","","0.0646","0.0724","","","","","","0.688","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309325","9.587","0.001","11.701","0.001","12.076","0.001","109.3","0.01","90.75","0.01","89.69","0.01","1278.4","0.2","173","","173","","","","","","","","?","7","P -1","-P 1","2","","1-Phenyl-3-pyridin-4-yl-urea silver-hexafluorophosphate complex","","- C24 H22 Ag F6 N6 O2 P -","- C24 H22 Ag F6 N6 O2 P -","- C48 H44 Ag2 F12 N12 O4 P2 -","2","1","","Pascal Blondeau; Arie van der Lee; Mihail Barboiu","Silver(I) Coordination Polymers Containing Heteroditopic Ureidopyridine Ligands: The Role of Ligand Isomerism, Hydrogen Bonding, and Stacking Interactions","Inorganic Chemistry","2005","44","","5649","5653","10.1021/ic050278y","","","0.71073","MoKα","","0.0447","0.0347","","","0.0759","0.1186","","","","","","0.9019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309326","10.907","0.001","20.387","0.002","13.286","0.002","90","","106.19","0.02","90","","2837.1","0.6","173","","173","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","1-Phenyl-3-pyridin-3-yl-urea silver-hexafluorophosphate complex","","- C26 H25 Ag F6 N7 O2 P -","- C26 H25 Ag F6 N7 O2 P -","- C104 H100 Ag4 F24 N28 O8 P4 -","4","1","","Pascal Blondeau; Arie van der Lee; Mihail Barboiu","Silver(I) Coordination Polymers Containing Heteroditopic Ureidopyridine Ligands: The Role of Ligand Isomerism, Hydrogen Bonding, and Stacking Interactions","Inorganic Chemistry","2005","44","","5649","5653","10.1021/ic050278y","","","0.71073","MoKα","","","0.1171","","","","0.1342","","","","","","0.932","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309327","11.327","0.0003","11.8168","0.0003","15.9633","0.0003","69.546","0.001","71.194","0.001","65.828","0.001","1785.81","0.08","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H29 Cl2 F6 Ir N2 O2 -","- C40 H29 Cl2 F6 Ir N2 O2 -","- C80 H58 Cl4 F12 Ir2 N4 O4 -","2","1","","K. R. Justin Thomas; Marappan Velusamy; Jiann T. Lin; Chin-Hsiung Chien; Yu-Tai Tao; Yuh S. Wen; Ya-Hui Hu; Pi-Tai Chou","Efficient Red-Emitting Cyclometalated Iridium(III) Complexes Containing Lepidine-Based Ligands","Inorganic Chemistry","2005","44","","5677","5685","10.1021/ic050385s","","","0.71073","MoKα","","0.0869","0.0766","","","0.2268","0.2447","","","","","","1.315","","","","has coordinates,has disorder","179131","2020-10-21","18:00:00",""
"4309328","14.0518","0.0003","17.3248","0.0004","14.8368","0.0003","90","","106.004","0.001","90","","3471.95","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Ir N4 O2 -","- C41 H41 Ir N4 O2 -","- C164 H164 Ir4 N16 O8 -","4","1","","K. R. Justin Thomas; Marappan Velusamy; Jiann T. Lin; Chin-Hsiung Chien; Yu-Tai Tao; Yuh S. Wen; Ya-Hui Hu; Pi-Tai Chou","Efficient Red-Emitting Cyclometalated Iridium(III) Complexes Containing Lepidine-Based Ligands","Inorganic Chemistry","2005","44","","5677","5685","10.1021/ic050385s","","","0.71073","MoKα","","0.051","0.0328","","","0.0839","0.1261","","","","","","1.225","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309329","8.3799","0.0002","15.7137","0.0004","26.0632","0.0007","90","","93.295","0.001","90","","3426.31","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H35 Ir N2 O2 -","- C45 H35 Ir N2 O2 -","- C180 H140 Ir4 N8 O8 -","4","1","","K. R. Justin Thomas; Marappan Velusamy; Jiann T. Lin; Chin-Hsiung Chien; Yu-Tai Tao; Yuh S. Wen; Ya-Hui Hu; Pi-Tai Chou","Efficient Red-Emitting Cyclometalated Iridium(III) Complexes Containing Lepidine-Based Ligands","Inorganic Chemistry","2005","44","","5677","5685","10.1021/ic050385s","","","0.71073","MoKα","","0.0757","0.0542","","","0.1441","0.1729","","","","","","1.306","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309330","7.23","0.0005","8.5511","0.0006","13.5361","0.001","90","","100.035","0.001","90","","824.06","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Am I3 O9 -","- Am I3 O9 -","- Am4 I12 O36 -","4","1","","Richard E. Sykora; Zerihun Assefa; Richard G. Haire; Thomas E. Albrecht-Schmitt","Synthesis, Structure, and Spectroscopic Properties of Am(IO3)3 and the Photoluminescence Behavior of Cm(IO3)3","Inorganic Chemistry","2005","44","","5667","5676","10.1021/ic050386k","","","0.71073","MoKα","","0.0328","0.0292","","","0.0747","0.0763","","","","","","1.157","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309331","19.158","0.017","11.432","0.01","30.15","0.03","90","","107.148","0.017","90","","6310","10","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C31 H34 Fe2 N2 O5.5 S2 -","- C31 H34 Fe2 N2 O5.5 S2 -","- C248 H272 Fe16 N16 O44 S16 -","8","1","","Jesse W. Tye; Jonghyuk Lee; Hsiao-Wan Wang; Rosario Mejia-Rodriguez; Joseph H. Reibenspies; Michael B. Hall; Marcetta Y. Darensbourg","Dual Electron Uptake by Simultaneous Iron and Ligand Reduction in an N-Heterocyclic Carbene Substituted [FeFe] Hydrogenase Model Compound","Inorganic Chemistry","2005","44","","5550","5552","10.1021/ic050402d","","","0.71073","MoKα","","0.182","0.072","","","0.1426","0.1858","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309332","14.8457","0.001","14.8772","0.0009","17.5101","0.0011","97.402","0.001","100.211","0.001","103.956","0.001","3633.6","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- H68 Na10 O34 S20 Sn5 Zn5 -","- Na10 O34 S20 Sn5.02 Zn4.98 -","- Na20 O68 S40 Sn10.04 Zn9.96 -","2","1","","Christian Zimmermann; Christopher E. Anson; Florian Weigend; Rodolphe Clérac; Stefanie Dehnen","Unusual Syntheses, Structures, and Electronic Properties of Compounds Containing Ternary, T3-Type Supertetrahedral M/Sn/S Anions [M5Sn(μ3-S)4(SnS4)4]10- (M = Zn, Co)","Inorganic Chemistry","2005","44","","5686","5695","10.1021/ic050466o","","","0.71073","MoKα","","0.0773","0.0551","","","0.1449","0.1593","","","","","","1.003","","","","has coordinates,has disorder","194044","2020-10-21","18:00:00",""
"4309333","14.712","0.002","14.737","0.002","17.142","0.002","97.298","0.002","99.264","0.002","103.868","0.003","3507.6","0.8","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- Co5 H68 Na10 O34 S20 Sn5 -","- Co4.98 Na10 O34 S20 Sn5.02 -","- Co9.96 Na20 O68 S40 Sn10.04 -","2","1","","Christian Zimmermann; Christopher E. Anson; Florian Weigend; Rodolphe Clérac; Stefanie Dehnen","Unusual Syntheses, Structures, and Electronic Properties of Compounds Containing Ternary, T3-Type Supertetrahedral M/Sn/S Anions [M5Sn(μ3-S)4(SnS4)4]10- (M = Zn, Co)","Inorganic Chemistry","2005","44","","5686","5695","10.1021/ic050466o","","","0.71073","MoKα","","0.116","0.0625","","","0.1533","0.1819","","","","","","1.028","","","","has coordinates,has disorder","194044","2020-10-21","18:00:00",""
"4309334","13.436","0.002","13.57","0.002","14.105","0.002","95.77","0.003","117.889","0.003","98.364","0.003","2206.7","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- Co5 H12 Na10 O6 S20 Sn5 -","- Co4.98 Na10 O6 S20 Sn5.02 -","- Co9.96 Na20 O12 S40 Sn10.04 -","2","1","","Christian Zimmermann; Christopher E. Anson; Florian Weigend; Rodolphe Clérac; Stefanie Dehnen","Unusual Syntheses, Structures, and Electronic Properties of Compounds Containing Ternary, T3-Type Supertetrahedral M/Sn/S Anions [M5Sn(μ3-S)4(SnS4)4]10- (M = Zn, Co)","Inorganic Chemistry","2005","44","","5686","5695","10.1021/ic050466o","","","0.71073","MoKα","","0.1179","0.0676","","","0.1523","0.1822","","","","","","1.069","","","","has coordinates,has disorder","194044","2020-10-21","18:00:00",""
"4309335","15.941","0.007","10.92","0.005","29.012","0.013","90","","98.577","0.008","90","","4994","4","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C116 H96 B2 Cu2 F8 N6 P4 -","- C113 H68 B2 Cu2 F8 N6 P4 -","- C226 H136 B4 Cu4 F16 N12 P8 -","2","0.5","","Wen Li Jia; Theresa MCormick; Ye Tao; Jian-Ping Lu; Suning Wang","New Phosphorescent Polynuclear Cu(I) Compounds Based on Linear and Star-Shaped 2-(2'-Pyridyl)benzimidazolyl Derivatives: Syntheses, Structures, Luminescence, and Electroluminescence","Inorganic Chemistry","2005","44","","5706","5712","10.1021/ic0504893","","","0.71073","MoKα","","0.2471","0.0721","","","0.166","0.2124","","","","","","0.769","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309336","13.444","0.004","17.235","0.006","30.992","0.01","92.044","0.005","101.857","0.006","96.359","0.006","6972","4","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H126 B3 Cl5 Cu3 F12 N9 P6 -","- C155.5 H113.5 B3 Cl5 Cu3 F12 N9 P6 -","- C311 H227 B6 Cl10 Cu6 F24 N18 P12 -","2","1","","Wen Li Jia; Theresa MCormick; Ye Tao; Jian-Ping Lu; Suning Wang","New Phosphorescent Polynuclear Cu(I) Compounds Based on Linear and Star-Shaped 2-(2'-Pyridyl)benzimidazolyl Derivatives: Syntheses, Structures, Luminescence, and Electroluminescence","Inorganic Chemistry","2005","44","","5706","5712","10.1021/ic0504893","","","0.71073","MoKα","","0.24","0.0991","","","0.2168","0.2692","","","","","","1.101","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309337","10.753","0.004","12.997","0.005","21.737","0.009","96.05","0.007","92.137","0.008","100.115","0.007","2969","2","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C117 H100 B2 Cl16 Cu2 F8 N6 P4 -","- C60.5 H42 B Cl8 Cu F4 N3 P2 -","- C121 H84 B2 Cl16 Cu2 F8 N6 P4 -","2","1","","Wen Li Jia; Theresa MCormick; Ye Tao; Jian-Ping Lu; Suning Wang","New Phosphorescent Polynuclear Cu(I) Compounds Based on Linear and Star-Shaped 2-(2'-Pyridyl)benzimidazolyl Derivatives: Syntheses, Structures, Luminescence, and Electroluminescence","Inorganic Chemistry","2005","44","","5706","5712","10.1021/ic0504893","","","0.71073","MoKα","","0.1367","0.0684","","","0.1659","0.1894","","","","","","0.895","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309338","14.8766","0.0015","16.2444","0.0017","17.6895","0.0015","90","","90","","90","","4274.9","0.7","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H44 Cl2 N8 O2 Os2 -","- C46 H36 Cl2 N8 O2 Os2 -","- C184 H144 Cl8 N32 O8 Os8 -","4","0.5","","Yan-Hui Shi; Wei-Zhong Chen; Kevin D. John; Ryan E. Da Re; Joshua L. Cohn; Guo-Lin Xu; Judith L. Eglin; Alfred P. Sattelberger; Curtis R. Hare; Tong Ren","Diosmium(III) Compounds Supported by 2-Anilinopyridinate and Novel Alkynyl Derivatives","Inorganic Chemistry","2005","44","","5719","5727","10.1021/ic050496r","","","0.71073","MoKα","","0.0426","0.0271","","","0.0691","0.0763","","","","","","1.011","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309339","17.3208","0.0015","13.1381","0.0011","19.2668","0.0016","90","","93.637","0.002","90","","4375.6","0.6","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Cl2 N8 O2 Os2 -","- C44 H36 Cl2 N8 O2 Os2 -","- C176 H144 Cl8 N32 O8 Os8 -","4","1","","Yan-Hui Shi; Wei-Zhong Chen; Kevin D. John; Ryan E. Da Re; Joshua L. Cohn; Guo-Lin Xu; Judith L. Eglin; Alfred P. Sattelberger; Curtis R. Hare; Tong Ren","Diosmium(III) Compounds Supported by 2-Anilinopyridinate and Novel Alkynyl Derivatives","Inorganic Chemistry","2005","44","","5719","5727","10.1021/ic050496r","","","0.71073","MoKα","","0.0767","0.0473","","","0.1305","0.1407","","","","","","1.027","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309340","14.5896","0.0016","16.749","0.0015","20.599","0.003","90","","90","","90","","5033.6","1","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C60 H46 N8 Os2 -","- C60 H46 N8 Os2 -","- C240 H184 N32 Os8 -","4","1","","Yan-Hui Shi; Wei-Zhong Chen; Kevin D. John; Ryan E. Da Re; Joshua L. Cohn; Guo-Lin Xu; Judith L. Eglin; Alfred P. Sattelberger; Curtis R. Hare; Tong Ren","Diosmium(III) Compounds Supported by 2-Anilinopyridinate and Novel Alkynyl Derivatives","Inorganic Chemistry","2005","44","","5719","5727","10.1021/ic050496r","","","0.71073","MoKα","","0.0911","0.0459","","","0.0746","0.0837","","","","","","1.018","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309341","12.302","0.002","14.129","0.002","18.044","0.004","109.901","0.016","99.449","0.019","103.367","0.013","2766.2","1","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 N8 O Os2 -","- C60 H46 N8 O Os2 -","- C120 H92 N16 O2 Os4 -","2","1","","Yan-Hui Shi; Wei-Zhong Chen; Kevin D. John; Ryan E. Da Re; Joshua L. Cohn; Guo-Lin Xu; Judith L. Eglin; Alfred P. Sattelberger; Curtis R. Hare; Tong Ren","Diosmium(III) Compounds Supported by 2-Anilinopyridinate and Novel Alkynyl Derivatives","Inorganic Chemistry","2005","44","","5719","5727","10.1021/ic050496r","","","0.71073","MoKα","","0.0933","0.0578","","","0.1491","0.1619","","","","","","1.027","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309342","10.745","0.005","15.977","0.008","17.931","0.009","70.64","0.03","87.14","0.06","78.87","0.04","2849","3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H54 N8 Os2 Si2 -","- C54 H54 N8 Os2 Si2 -","- C108 H108 N16 Os4 Si4 -","2","1","","Yan-Hui Shi; Wei-Zhong Chen; Kevin D. John; Ryan E. Da Re; Joshua L. Cohn; Guo-Lin Xu; Judith L. Eglin; Alfred P. Sattelberger; Curtis R. Hare; Tong Ren","Diosmium(III) Compounds Supported by 2-Anilinopyridinate and Novel Alkynyl Derivatives","Inorganic Chemistry","2005","44","","5719","5727","10.1021/ic050496r","","","0.71073","MoKα","","0.0889","0.047","","","0.1099","0.1236","","","","","","1.022","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309343","26.8264","0.0011","10.0284","0.0004","18.2538","0.0007","90","","108.624","0.001","90","","4653.6","0.3","150","1","150","1","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C50 H38 Fe N5 O2 P2 S4 -","- C50 H38 Fe N5 O2 P2 S4 -","- C200 H152 Fe4 N20 O8 P8 S16 -","4","2","","Fu-Te Tsai; Show-Jen Chiou; Ming-Che Tsai; Ming-Li Tsai; Hsiao-Wen Huang; Ming-Hsi Chiang; Wen-Feng Liaw","Dinitrosyl Iron Complexes (DNICs) [L2Fe(NO)2]- (L = Thiolate): Interconversion among {Fe(NO)2}9 DNICs, {Fe(NO)2}10 DNICs, and [2Fe-2S] Clusters, and the Critical Role of the Thiolate Ligands in Regulating NO Release of DNICs","Inorganic Chemistry","2005","44","","5872","5881","10.1021/ic0505044","","","0.71073","MoKα","","0.1049","0.0629","","","0.1154","0.1465","","","","","","1.028","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309344","9.3075","0.0004","14.883","0.0007","35.2742","0.0016","90","","90.663","0.001","90","","4886","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 Fe N5 O4 P2 S2 -","- C52 H46 Fe N5 O4 P2 S2 -","- C208 H184 Fe4 N20 O16 P8 S8 -","4","1","","Fu-Te Tsai; Show-Jen Chiou; Ming-Che Tsai; Ming-Li Tsai; Hsiao-Wen Huang; Ming-Hsi Chiang; Wen-Feng Liaw","Dinitrosyl Iron Complexes (DNICs) [L2Fe(NO)2]- (L = Thiolate): Interconversion among {Fe(NO)2}9 DNICs, {Fe(NO)2}10 DNICs, and [2Fe-2S] Clusters, and the Critical Role of the Thiolate Ligands in Regulating NO Release of DNICs","Inorganic Chemistry","2005","44","","5872","5881","10.1021/ic0505044","","","0.71073","MoKα","","0.0839","0.0519","","","0.0747","0.082","","","","","","1.057","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309345","16.3528","0.0008","14.7812","0.0007","17.5642","0.0009","90","","100.868","0.001","90","","4169.4","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Fe N3 O2 P2 S4 -","- C44 H36 Fe N3 O2 P2 S4 -","- C176 H144 Fe4 N12 O8 P8 S16 -","4","0.5","","Fu-Te Tsai; Show-Jen Chiou; Ming-Che Tsai; Ming-Li Tsai; Hsiao-Wen Huang; Ming-Hsi Chiang; Wen-Feng Liaw","Dinitrosyl Iron Complexes (DNICs) [L2Fe(NO)2]- (L = Thiolate): Interconversion among {Fe(NO)2}9 DNICs, {Fe(NO)2}10 DNICs, and [2Fe-2S] Clusters, and the Critical Role of the Thiolate Ligands in Regulating NO Release of DNICs","Inorganic Chemistry","2005","44","","5872","5881","10.1021/ic0505044","","","0.71073","MoKα","","0.0564","0.0423","","","0.1034","0.1092","","","","","","1.007","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309346","11.3264","0.001","14.1687","0.0013","14.7006","0.0013","101.842","0.002","107.539","0.002","96.447","0.002","2162.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H86 Fe2 N4 P4 S6 -","- C100 H86 Fe2 N4 P4 S6 -","- C100 H86 Fe2 N4 P4 S6 -","1","0.5","","Fu-Te Tsai; Show-Jen Chiou; Ming-Che Tsai; Ming-Li Tsai; Hsiao-Wen Huang; Ming-Hsi Chiang; Wen-Feng Liaw","Dinitrosyl Iron Complexes (DNICs) [L2Fe(NO)2]- (L = Thiolate): Interconversion among {Fe(NO)2}9 DNICs, {Fe(NO)2}10 DNICs, and [2Fe-2S] Clusters, and the Critical Role of the Thiolate Ligands in Regulating NO Release of DNICs","Inorganic Chemistry","2005","44","","5872","5881","10.1021/ic0505044","","","0.71073","MoKα","","0.0431","0.0352","","","0.0924","0.0958","","","","","","1.046","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309347","5.3903","0.0004","5.4687","0.0004","21.1156","0.0018","92.555","0.01","96.132","0.01","107.771","0.009","587.39","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Co N O7 P -","- C10 H12 Co N O7 P -","- C20 H24 Co2 N2 O14 P2 -","2","1","","Sebastian Bauer; Thomas Bein; Norbert Stock","High-Throughput Investigation and Characterization of Cobalt Carboxy Phosphonates","Inorganic Chemistry","2005","44","","5882","5889","10.1021/ic0505089","","","0.71073","MoKα","","0.0464","0.0338","","","0.0817","0.0855","","","","","","0.953","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309348","10.093","0.001","9.5224","0.0006","15.5413","0.0017","90","","99.969","0.012","90","","1471.1","0.2","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H13 Co2 N O9 P2 -","- C10 H10 Co2 N O9 P2 -","- C40 H40 Co8 N4 O36 P8 -","4","1","","Sebastian Bauer; Thomas Bein; Norbert Stock","High-Throughput Investigation and Characterization of Cobalt Carboxy Phosphonates","Inorganic Chemistry","2005","44","","5882","5889","10.1021/ic0505089","","","0.71073","MoKα","","0.1068","0.0553","","","0.1182","0.1309","","","","","","0.896","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309349","13.0316","0.0009","11.3545","0.0007","14.6048","0.0011","90","","114.121","0.005","90","","1972.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cd N2 Se2 -","- C18 H26 Cd N2 Se2 -","- C72 H104 Cd4 N8 Se8 -","4","1","","Maekele Yosef; Andreas K. Schaper; Michael Fröba; Sabine Schlecht","Stabilization of the Thermodynamically Favored Polymorph of Cadmium Chalcogenide Nanoparticles CdX (X = S, Se, Te) in the Polar Mesopores of SBA-15 Silica","Inorganic Chemistry","2005","44","","5890","5896","10.1021/ic050517h","","","0.71073","MoKα","","0.0347","0.03","","","0.0827","0.0852","","","","","","1.02","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309350","13.0297","0.001","11.2005","0.0011","14.3847","0.0011","90","","114.023","0.008","90","","1917.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cd N2 S2 -","- C18 H26 Cd N2 S2 -","- C72 H104 Cd4 N8 S8 -","4","1","","Maekele Yosef; Andreas K. Schaper; Michael Fröba; Sabine Schlecht","Stabilization of the Thermodynamically Favored Polymorph of Cadmium Chalcogenide Nanoparticles CdX (X = S, Se, Te) in the Polar Mesopores of SBA-15 Silica","Inorganic Chemistry","2005","44","","5890","5896","10.1021/ic050517h","","","0.71073","MoKα","","0.0538","0.0282","","","0.0492","0.0532","","","","","","0.831","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309351","13.205","0.002","13.529","0.003","18.703","0.003","90","","90.354","0.009","90","","3341.2","1","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Fe4 O12 S4 Sn2 -","- C20 H20 Fe4 O12 S4 Sn2 -","- C80 H80 Fe16 O48 S16 Sn8 -","4","1","","Richard S. Glass; Nadine E. Gruhn; Edward Lorance; Maya S. Singh; Nhu Y T. Stessman; Uzma I. Zakai","Synthesis, Gas-Phase Photoelectron Spectroscopic, and Theoretical Studies of Stannylated Dinuclear Iron Dithiolates","Inorganic Chemistry","2005","44","","5728","5737","10.1021/ic050526q","","","0.71073","MoKα","","0.15","0.0678","","","0.1071","0.1305","","","","","","0.927","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4309352","22.8454","0.0016","10.2167","0.0007","15.6939","0.0011","90","","90","","90","","3663","0.4","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","DippNAsCl Dimer","","","- C36 H46 As2 Cl2 N2 -","- C36 H46 As2 Cl2 N2 -","- C144 H184 As8 Cl8 N8 -","4","0.5","","Neil Burford; Jeff C. Landry; Michael J. Ferguson; Robert McDonald","Synthesis of cyclo-2,4,6-Triarsa-1,3,5-triazanes from cyclo-2,4-Diarsa-1,3-diazanes Demonstrating the General Influence of Substituent Steric Strain on the Relative Stability of Pnictazane Oligomers","Inorganic Chemistry","2005","44","","5897","5902","10.1021/ic050532m","","x-ray","0.71073","MoKα","","0.0337","0.0248","","","0.0608","0.0652","","","","","","1.053","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309353","15.5906","0.0009","11.4246","0.0007","20.719","0.0012","90","","104.25","0.001","90","","3576.8","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DmpNAsCl Dimer","","","- C16 H18 As2 Cl2 N2 -","- C16 H18 As2 Cl2 N2 -","- C128 H144 As16 Cl16 N16 -","8","2","","Neil Burford; Jeff C. Landry; Michael J. Ferguson; Robert McDonald","Synthesis of cyclo-2,4,6-Triarsa-1,3,5-triazanes from cyclo-2,4-Diarsa-1,3-diazanes Demonstrating the General Influence of Substituent Steric Strain on the Relative Stability of Pnictazane Oligomers","Inorganic Chemistry","2005","44","","5897","5902","10.1021/ic050532m","","x-ray","0.71073","MoKα","","0.0367","0.0261","","","0.063","0.069","","","","","","1.045","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309354","10.5083","0.0005","14.0826","0.0006","16.5909","0.0008","87.363","0.001","81.203","0.001","79.067","0.001","2381.9","0.19","193","2","193","2","","","","","","","","6","P -1","-P 1","2","DippNAsCl Trimer Cation Gallate","","","- C37 H53 As3 Cl8 Ga N3 -","- C37 H53 As3 Cl8 Ga N3 -","- C74 H106 As6 Cl16 Ga2 N6 -","2","1","","Neil Burford; Jeff C. Landry; Michael J. Ferguson; Robert McDonald","Synthesis of cyclo-2,4,6-Triarsa-1,3,5-triazanes from cyclo-2,4-Diarsa-1,3-diazanes Demonstrating the General Influence of Substituent Steric Strain on the Relative Stability of Pnictazane Oligomers","Inorganic Chemistry","2005","44","","5897","5902","10.1021/ic050532m","","x-ray","0.71073","MoKα","","0.0317","0.0264","","","0.0686","0.0742","","","","","","1.049","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309355","31.883","0.003","9.2627","0.0008","18.7383","0.0015","90","","96.359","0.001","90","","5499.8","0.8","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","DmpNAsCl Trimer","","","- C24 H27 As3 Cl3 N3 -","- C24 H27 As3 Cl3 N3 -","- C192 H216 As24 Cl24 N24 -","8","1","","Neil Burford; Jeff C. Landry; Michael J. Ferguson; Robert McDonald","Synthesis of cyclo-2,4,6-Triarsa-1,3,5-triazanes from cyclo-2,4-Diarsa-1,3-diazanes Demonstrating the General Influence of Substituent Steric Strain on the Relative Stability of Pnictazane Oligomers","Inorganic Chemistry","2005","44","","5897","5902","10.1021/ic050532m","","x-ray","0.71073","MoKα","","0.0648","0.0423","","","0.099","0.11","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309356","12.2049","0.0014","21.386","0.002","16.3283","0.0019","90","","111.852","0.002","90","","3955.7","0.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DippNAsCl trimer","","","- C36 H51 As3 Cl3 N3 -","- C36 H51 As3 Cl3 N3 -","- C144 H204 As12 Cl12 N12 -","4","1","","Neil Burford; Jeff C. Landry; Michael J. Ferguson; Robert McDonald","Synthesis of cyclo-2,4,6-Triarsa-1,3,5-triazanes from cyclo-2,4-Diarsa-1,3-diazanes Demonstrating the General Influence of Substituent Steric Strain on the Relative Stability of Pnictazane Oligomers","Inorganic Chemistry","2005","44","","5897","5902","10.1021/ic050532m","","x-ray","0.71073","MoKα","","0.0495","0.031","","","0.0684","0.0752","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309357","27.2249","0.0008","27.2249","0.0008","25.5182","0.0005","90","","90","","90","","18914","0.9","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C82 H78 Mn6 N4 O26 -","- C82 H78 Mn6 N4 O26 -","- C656 H624 Mn48 N32 O208 -","8","0.5","","Konstantin S. Gavrilenko; Sergey V. Punin; Olivier Cador; Stéphane Golhen; Lahcène Ouahab; Vitaly V. Pavlishchuk","Synthesis, Structure, and Magnetism of Heterometallic Carboxylate Complexes [MnIII2MII4O2(PhCOO)10(DMF)4], M = MnII, CoII, NiII","Inorganic Chemistry","2005","44","","5903","5910","10.1021/ic0505448","","","0.71073","MoKα","","0.1393","0.0681","","","0.1523","0.1847","","","","","","1.231","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309358","27.1017","0.0009","27.1017","0.0009","25.374","0.0004","90","","90","","90","","18637.3","0.9","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C82 H78 Co4 Mn2 N4 O26 -","- C82 H78 Co4 Mn2 N4 O26 -","- C656 H624 Co32 Mn16 N32 O208 -","8","0.5","","Konstantin S. Gavrilenko; Sergey V. Punin; Olivier Cador; Stéphane Golhen; Lahcène Ouahab; Vitaly V. Pavlishchuk","Synthesis, Structure, and Magnetism of Heterometallic Carboxylate Complexes [MnIII2MII4O2(PhCOO)10(DMF)4], M = MnII, CoII, NiII","Inorganic Chemistry","2005","44","","5903","5910","10.1021/ic0505448","","","0.71073","MoKα","","0.0732","0.0495","","","0.1296","0.1508","","","","","","1.077","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309359","27.0152","0.0009","27.0152","0.0009","25.2913","0.0005","90","","90","","90","","18458.1","0.9","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C82 H78 Mn2 N4 Ni4 O26 -","- C82 H78 Mn2 N4 Ni4 O26 -","- C656 H624 Mn16 N32 Ni32 O208 -","8","0.5","","Konstantin S. Gavrilenko; Sergey V. Punin; Olivier Cador; Stéphane Golhen; Lahcène Ouahab; Vitaly V. Pavlishchuk","Synthesis, Structure, and Magnetism of Heterometallic Carboxylate Complexes [MnIII2MII4O2(PhCOO)10(DMF)4], M = MnII, CoII, NiII","Inorganic Chemistry","2005","44","","5903","5910","10.1021/ic0505448","","","0.71073","MoKα","","0.0841","0.0517","","","0.1296","0.155","","","","","","1.048","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309360","12.891","0.001","21.859","0.002","35.026","0.004","90","","90","","90","","9869.8","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Ce(HDAPBHPSC)2]Cl","Bis(2,6-diacetylpyridine-benzoylhydrazonato-4-phenylsemicarbazone)cerium(III) chlorid","","- C46 H42 Ce Cl N12 O4 -","- C46 H42 Ce Cl N12 O4 -","- C368 H336 Ce8 Cl8 N96 O32 -","8","1","","Alexander Jagst; Agustin Sánchez; Ezequiel M. Vázquez-López; Ulrich Abram","Controlled Ligand Deprotonation in Lanthanide Chelates with Asymmetric Semicarbazone/Benzoylhydrazone or Semicarbazone/Thiosemicarbazone Coordination Spheres","Inorganic Chemistry","2005","44","","5738","5744","10.1021/ic050556t","","","0.71073","MoKα","","0.3008","0.0653","","","0.1146","0.1693","","","","","","0.865","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309361","23.169","0.005","20.064","0.005","25.288","0.005","90","0.005","93.067","0.005","90","0.005","11739","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ce(HDAPBHPSC)2]2SO4*7EtOH","Bis(2,6-diacetylpyridin-benzoylhydrazonato-4-phenylsemicarbazone)- cerium(III)-sulfate ethanol solvate","","- C110 H138 Ce2 N24 O21 S -","- C110 H138 Ce2 N24 O21 S -","- C440 H552 Ce8 N96 O84 S4 -","4","1","","Alexander Jagst; Agustin Sánchez; Ezequiel M. Vázquez-López; Ulrich Abram","Controlled Ligand Deprotonation in Lanthanide Chelates with Asymmetric Semicarbazone/Benzoylhydrazone or Semicarbazone/Thiosemicarbazone Coordination Spheres","Inorganic Chemistry","2005","44","","5738","5744","10.1021/ic050556t","","","0.71069","MoKα","","0.0522","0.0287","","","0.0674","0.0807","","","","","","0.979","","","","has coordinates,has disorder","179131","2020-10-21","18:00:00",""
"4309362","49.76","0.05","49.76","0.05","13.85","0.03","90","","90","","120","","29699","8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","[Sm(HDFPSCPTSC)2]Cl*H2O","Bis(2,6-diformylpyridine-4-phenylsemicarbazone-4-phenylthiosemicarbazonato)- samarium(III) nitrate water solvate","","- C42 H36 N15 O6 S2 Sm -","- C42 H36 N15 O6 S2 Sm -","- C756 H648 N270 O108 S36 Sm18 -","18","1","","Alexander Jagst; Agustin Sánchez; Ezequiel M. Vázquez-López; Ulrich Abram","Controlled Ligand Deprotonation in Lanthanide Chelates with Asymmetric Semicarbazone/Benzoylhydrazone or Semicarbazone/Thiosemicarbazone Coordination Spheres","Inorganic Chemistry","2005","44","","5738","5744","10.1021/ic050556t","","","0.71073","MoKα","","0.1261","0.0669","","","0.1558","0.1894","","","","","","0.975","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309363","11.446","0.003","31.751","0.007","15.632","0.004","90","","102.778","0.006","90","","5540","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Eu(HDAPBHPSC)2]Cl*1.5iso-PrOH*H2O","Bis(2,6-diacetylpyridine benzoylhydrazonato-4-phenylsemicarbazone)- europium(III)-chloride-iso-propanol-water-solvate","","- C50.5 H56 Cl Eu N12 O6.5 -","- C50.5 H56 Cl Eu N12 O6.5 -","- C202 H224 Cl4 Eu4 N48 O26 -","4","1","","Alexander Jagst; Agustin Sánchez; Ezequiel M. Vázquez-López; Ulrich Abram","Controlled Ligand Deprotonation in Lanthanide Chelates with Asymmetric Semicarbazone/Benzoylhydrazone or Semicarbazone/Thiosemicarbazone Coordination Spheres","Inorganic Chemistry","2005","44","","5738","5744","10.1021/ic050556t","","","0.71073","MoKα","","0.1128","0.0592","","","0.1115","0.1287","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309364","6.188","0.007","7.351","0.008","7.816","0.008","94.202","0.017","106.616","0.016","109.251","0.015","316.1","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","","","","- Al2 Cl6 O4 S2 -","- Al2 Cl6 O4 S2 -","- Al2 Cl6 O4 S2 -","1","0.5","","Timothy J. Boyle; Nicholas L. Andrews; Todd M. Alam; David R. Tallant; Mark A. Rodriguez; David Ingersoll","Speciation in the AlCl3/SO2Cl2 Catholyte System","Inorganic Chemistry","2005","44","","5934","5940","10.1021/ic050621z","","","0.71073","MoKα","","0.0371","0.0294","","","0.0732","0.0768","","","","","","1.076","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309365","10.4965","0.0011","11.9045","0.0016","14.029","0.002","74.428","0.015","88.031","0.014","71.735","0.01","1601.2","0.4","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 B Mn O6 -","- C36 H32 B Mn O6 -","- C72 H64 B2 Mn2 O12 -","2","1","","Daniele Schott; Paul S. Pregosin; Béatrice Jacques; Murielle Chavarot; Françoise Rose-Munch; Eric Rose","Synthesis, Characterization, and PGSE (1H and 19F) NMR Diffusion Studies on Cationic (η6- Arene)Mn(CO)3+ Complexes: Boron Counterion, Ion Pairing, and Solvent Dependences","Inorganic Chemistry","2005","44","","5941","5948","10.1021/ic0506409","","","0.71073","MoKα","","0.1211","0.0529","","0.1317","0.0596","0.0596","","","","","","1.0856","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4309366","8.3329","0.0005","12.9478","0.0008","16.3878","0.0007","86.481","0.005","85.386","0.004","89.509","0.005","1759.06","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Compound 1a","","","- C18 H3 B F15 N -","- C18 H3 B F15 N -","- C72 H12 B4 F60 N4 -","4","2","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","MoKα","","0.0479","0.0353","","","0.0861","0.0924","","","","","","1.028","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309367","12.1321","0.001","12.6612","0.0013","13.5485","0.001","90","","114.066","0.006","90","","1900.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 1a.NH3","","","- C18 H6 B F15 N2 -","- C18 H6 B F15 N2 -","- C72 H24 B4 F60 N8 -","4","1","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","MoKα","","0.0825","0.0499","","","0.1274","0.1497","","","","","","1.005","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309368","10.9274","0.0001","12.0071","0.0002","17.2015","0.0003","83.082","0.001","79.117","0.001","77.607","0.001","2157.18","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Compound 1b","","","- C22 H11 B F15 N -","- C22 H11 B F15 N -","- C88 H44 B4 F60 N4 -","4","2","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","MoKα","","0.0628","0.0445","","","0.1029","0.1143","","","","","","1.036","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309369","22.507","0.005","8.9216","0.0018","22.773","0.005","90","","98.91","0.03","90","","4517.6","1.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 1c","","","- C25 H9 B F15 N -","- C25 H9 B F15 N -","- C200 H72 B8 F120 N8 -","8","1","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","MoKα","","0.0448","0.0372","","","0.0918","0.0966","","","","","","1.037","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309370","10.736","0.002","8.756","0.0018","29.33","0.006","90","","96.6","0.03","90","","2738.9","1","140","1","140","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Compound 1d","","","- C27 H13 B Cl2 F15 N -","- C27 H13 B Cl2 F15 N -","- C108 H52 B4 Cl8 F60 N4 -","4","1","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","Mo-Kα","","0.0921","0.0751","","","0.2273","0.2361","","","","","","1.042","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309371","9.5496","0.0012","20.022","0.003","12.4075","0.0012","90","","94.894","0.007","90","","2363.7","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 1g","","","- C26 H11 B F15 N -","- C26 H11 B F15 N -","- C104 H44 B4 F60 N4 -","4","1","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","MoKα","","0.2503","0.0996","","","0.1518","0.1944","","","","","","1.035","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309372","22.8044","0.0004","13.2282","0.0003","23.0749","0.0005","90","","116.907","0.001","90","","6207.2","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 1h","","","- C32 H15 B F15 N -","- C32 H15 B F15 N -","- C256 H120 B8 F120 N8 -","8","1","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","MoKα","","0.0695","0.0459","","","0.1241","0.1338","","","","","","1.046","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309373","18.451","0.004","12.842","0.003","19.911","0.004","90","","102.43","0.03","90","","4607.3","1.8","140","1","140","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 2b","","","- C22 H11 Al F15 N -","- C22 H11 Al F15 N -","- C176 H88 Al8 F120 N8 -","8","1","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","Mo-Kα","","0.0494","0.0423","","","0.1137","0.1175","","","","","","1.078","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309374","13.724","0.003","13.825","0.003","15.012","0.003","65.61","0.03","85.1","0.03","83.27","0.03","2574.1","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Compound 2c","","","- C25 H9 Al F15 N -","- C25 H9 Al F15 N -","- C100 H36 Al4 F60 N4 -","4","2","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","MoKα","","0.059","0.0446","","","0.1282","0.1361","","","","","","1.002","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309375","7.9878","0.0003","11.9032","0.0005","12.8855","0.0004","87.946","0.002","85.528","0.002","87.136","0.002","1219.27","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Compound 2d","","","- C26 H11 Al F15 N -","- C26 H11 Al F15 N -","- C52 H22 Al2 F30 N2 -","2","1","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","MoKα","","0.0876","0.0524","","","0.115","0.128","","","","","","1.05","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309376","15.6465","0.0005","13.199","0.0004","20.3427","0.0007","90","","94.511","0.001","90","","4188.1","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound 2e","","","- C20 H7 Al F15 N -","- C20 H7 Al F15 N -","- C160 H56 Al8 F120 N8 -","8","4","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","MoKα","","0.0592","0.0439","","","0.0997","0.1089","","","","","","1","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309377","21.346","0.004","10.968","0.002","22.09","0.004","90","","108.95","0.03","90","","4891.5","1.8","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 2f","","","- C23 H11 Al F15 N -","- C23 H11 Al F15 N -","- C184 H88 Al8 F120 N8 -","8","2","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","Mo-Kα","","0.0475","0.0367","","","0.0965","0.1009","","","","","","1.042","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309378","21.3404","0.0008","12.7062","0.0005","20.2308","0.0007","90","","111.726","0.002","90","","5096","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 2g","","","- C26 H11 Al F15 N -","- C26 H11 Al F15 N -","- C208 H88 Al8 F120 N8 -","8","2","","Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light","Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane","Inorganic Chemistry","2005","44","","5921","5933","10.1021/ic050663n","","","0.71073","MoKα","","0.1488","0.052","","","0.0917","0.1182","","","","","","0.967","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309379","7.032","0.0019","14.376","0.004","16.165","0.004","90","","93.737","0.005","90","","1630.7","0.8","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Be N4 O11 -","- C12 H16 Be N4 O11 -","- C48 H64 Be4 N16 O44 -","4","1","","Paul G. Plieger; Deborah S. Ehler; Brandy L. Duran; Tammy P. Taylor; Kevin D. John; Timothy S. Keizer; T. Mark McCleskey; Anthony K. Burrell; Jeffrey W. Kampf; Thomas Haase; Paul G. Rasmussen; Jennifer Karr","Novel Binding of Beryllium to Dicarboxyimidazole-Based Model Compounds and Polymers","Inorganic Chemistry","2005","44","","5761","5769","10.1021/ic050680c","","","0.71073","MoKα","","0.0358","0.0289","","","0.0762","0.0796","","","","","","1.041","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309380","20.4","0.006","16.813","0.004","12.865","0.011","90","","92.31","0.03","90","","4409","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H74 Al2 N6 P2 Si2 -","- C33.991 H74 Al2 N6 P2 Si2 -","- C135.964 H296 Al8 N24 P8 Si8 -","4","1","","Andrea Armstrong; Tristram Chivers; Heikki M. Tuononen; Masood Parvez","Synthesis and Structures of Aluminum and Magnesium Complexes of Tetraimidophosphates and Trisamidothiophosphates: EPR and DFT Investigations of the Persistent Neutral Radicals {Me2Al[(μ-NR)(μ-NtBu)P(μ-NtBu)2]Li(THF)2}. (R = SiMe3,tBu)","Inorganic Chemistry","2005","44","","5778","5788","10.1021/ic050689e","","","0.71073","MoKα","","0.0624","0.0441","","","0.1071","0.1193","","","","","","1.038","","","","has coordinates,has disorder","179131","2020-10-21","18:00:00",""
"4309381","10.222","0.002","17.632","0.004","18.982","0.004","90","","91.152","0.012","90","","3420.5","1.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H59 Al Li N4 O2 P Si -","- C24 H59 Al Li N4 O2 P Si1.42 -","- C96 H236 Al4 Li4 N16 O8 P4 Si5.68 -","4","1","","Andrea Armstrong; Tristram Chivers; Heikki M. Tuononen; Masood Parvez","Synthesis and Structures of Aluminum and Magnesium Complexes of Tetraimidophosphates and Trisamidothiophosphates: EPR and DFT Investigations of the Persistent Neutral Radicals {Me2Al[(μ-NR)(μ-NtBu)P(μ-NtBu)2]Li(THF)2}. (R = SiMe3,tBu)","Inorganic Chemistry","2005","44","","5778","5788","10.1021/ic050689e","","","0.71073","MoKα","","0.1644","0.0795","","","0.2089","0.2749","","","","","","1.044","","","","has coordinates,has disorder","179131","2020-10-21","18:00:00",""
"4309382","14.993","0.004","15.285","0.004","15.535","0.004","96.188","0.014","102.701","0.016","117.474","0.014","2989.9","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Mg3 N9 O4 P3 S3 -","- C40 H100 Mg3 N9 O4 P3 S3 -","- C80 H200 Mg6 N18 O8 P6 S6 -","2","1","","Andrea Armstrong; Tristram Chivers; Heikki M. Tuononen; Masood Parvez","Synthesis and Structures of Aluminum and Magnesium Complexes of Tetraimidophosphates and Trisamidothiophosphates: EPR and DFT Investigations of the Persistent Neutral Radicals {Me2Al[(μ-NR)(μ-NtBu)P(μ-NtBu)2]Li(THF)2}. (R = SiMe3,tBu)","Inorganic Chemistry","2005","44","","5778","5788","10.1021/ic050689e","","","0.71073","MoKα","","0.0648","0.0419","","","0.096","0.1097","","","","","","0.964","","","","has coordinates,has disorder","179131","2020-10-21","18:00:00",""
"4309383","12.402","0.003","14.274","0.004","25.362","0.003","90","","90","","90","","4489.7","1.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H71 Al N4 O S2 -","- C44 H71 Al N4 O S2 -","- C176 H284 Al4 N16 O4 S8 -","4","1","","Vojtech Jancik; Herbert W. Roesky","Unusual Anions [LAl(SH)(S)]- and [LAl(S)2]2- Stabilized by Weakly Coordinating Imidazolium Cations. Synthesis of LAl(SSiMe2)2O (L = HC[C(Me)N(Ar)]2, Ar = 2,6-iPr2C6H3)","Inorganic Chemistry","2005","44","","5556","5558","10.1021/ic050693q","","","1.54178","CuKα","","0.0447","0.035","","","0.0821","0.0867","","","","","","1.03","","","","has coordinates,has disorder","179131","2020-10-21","18:00:00",""
"4309384","19.443","0.004","17.61","0.004","15.226","0.003","90","","95.53","0.03","90","","5189","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H75 Al N4 O S2 -","- C54 H75 Al N4 O S2 -","- C216 H300 Al4 N16 O4 S8 -","4","1","","Vojtech Jancik; Herbert W. Roesky","Unusual Anions [LAl(SH)(S)]- and [LAl(S)2]2- Stabilized by Weakly Coordinating Imidazolium Cations. Synthesis of LAl(SSiMe2)2O (L = HC[C(Me)N(Ar)]2, Ar = 2,6-iPr2C6H3)","Inorganic Chemistry","2005","44","","5556","5558","10.1021/ic050693q","","","1.54178","CuKα","","0.0528","0.036","","","0.0839","0.0916","","","","","","1.017","","","","has coordinates,has disorder","179131","2020-10-21","18:00:00",""
"4309385","12.749","0.003","18.857","0.004","15.726","0.003","90","","104.29","0.03","90","","3663.7","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 Al N2 O S2 Si2 -","- C33 H53 Al N2 O S2 Si2 -","- C132 H212 Al4 N8 O4 S8 Si8 -","4","1","","Vojtech Jancik; Herbert W. Roesky","Unusual Anions [LAl(SH)(S)]- and [LAl(S)2]2- Stabilized by Weakly Coordinating Imidazolium Cations. Synthesis of LAl(SSiMe2)2O (L = HC[C(Me)N(Ar)]2, Ar = 2,6-iPr2C6H3)","Inorganic Chemistry","2005","44","","5556","5558","10.1021/ic050693q","","","1.54178","CuKα","","0.0296","0.0288","","","0.076","0.0768","","","","","","1.022","","","","has coordinates,has disorder","179131","2020-10-21","18:00:00",""
"4309386","24.73","0.005","19.895","0.002","17.257","0.004","90","","104.832","0.005","90","","8208","3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N4 Ni O13 -","- C26 H28 N4 Ni O13 -","- C312 H336 N48 Ni12 O156 -","12","3","","Ghosh, Sujit K.; Bharadwaj, Parimal K.","Metal‒Organic Framework H-Bonded Like a Polycatenane: Coexistence of Acyclic Water Trimer and Nonamer","Inorganic Chemistry","2005","44","16","5553","5555","10.1021/ic050727u","","","0.71069","MoKα","","0.0576","0.0429","","","0.1072","0.116","","","","","","1.051","","","","has coordinates","210299","2020-10-21","18:00:00",""
"4309387","11.6763","0.0008","9.576","0.0006","16.0089","0.0011","90","","109.736","0.001","90","","1684.84","0.19","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H44 O13 Re Ru2 -","- C24 H45 O13 Re Ru2 -","- C48 H90 O26 Re2 Ru4 -","2","0.5","","Gema Arribas; M. Carmen Barral; Rodrigo González-Prieto; Reyes Jiménez-Aparicio; J. Luis Priego; M. Rosario Torres; Francisco A. Urbanos","Discrete and Monodimensional Heteropolynuclear Structures Formed by Tetracarboxylatodiruthenium(II,III) and Perrhenato Fragments","Inorganic Chemistry","2005","44","","5770","5777","10.1021/ic050757x","","","0.71073","MoKα","","0.0626","0.0452","","","0.1159","0.1236","","","","","","0.964","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309388","8.3397","0.0005","18.6714","0.0011","33.578","0.002","90","","90","","90","","5228.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H28 O16 Re Ru2 -","- C16 H28 O16 Re Ru2 -","- C128 H224 O128 Re8 Ru16 -","8","1","","Gema Arribas; M. Carmen Barral; Rodrigo González-Prieto; Reyes Jiménez-Aparicio; J. Luis Priego; M. Rosario Torres; Francisco A. Urbanos","Discrete and Monodimensional Heteropolynuclear Structures Formed by Tetracarboxylatodiruthenium(II,III) and Perrhenato Fragments","Inorganic Chemistry","2005","44","","5770","5777","10.1021/ic050757x","","","0.71073","MoKα","","0.1268","0.0641","","","0.1604","0.1876","","","","","","0.888","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309389","13.188","0.002","17.524","0.003","14.15","0.002","90","","107.675","0.003","90","","3115.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 O13 Re Ru2 -","- C28 H20 O13 Re Ru2 -","- C112 H80 O52 Re4 Ru8 -","4","1","","Gema Arribas; M. Carmen Barral; Rodrigo González-Prieto; Reyes Jiménez-Aparicio; J. Luis Priego; M. Rosario Torres; Francisco A. Urbanos","Discrete and Monodimensional Heteropolynuclear Structures Formed by Tetracarboxylatodiruthenium(II,III) and Perrhenato Fragments","Inorganic Chemistry","2005","44","","5770","5777","10.1021/ic050757x","","","0.71073","MoKα","","0.3575","0.0743","","","0.1628","0.2439","","","","","","0.776","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309390","12.78","0.0008","13.2445","0.0008","18.7919","0.0012","79.356","0.001","78.92","0.001","63.359","0.001","2772.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 N O16.5 Re2 Ru2 -","- C44 H56 N O16.5 Re2 Ru2 -","- C88 H112 N2 O33 Re4 Ru4 -","2","1","","Gema Arribas; M. Carmen Barral; Rodrigo González-Prieto; Reyes Jiménez-Aparicio; J. Luis Priego; M. Rosario Torres; Francisco A. Urbanos","Discrete and Monodimensional Heteropolynuclear Structures Formed by Tetracarboxylatodiruthenium(II,III) and Perrhenato Fragments","Inorganic Chemistry","2005","44","","5770","5777","10.1021/ic050757x","","","0.71073","MoKα","","0.0609","0.0437","","","0.1087","0.1166","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309391","21.061","0.002","9.5915","0.001","18.717","0.002","90","","94.929","0.002","90","","3767","0.7","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H58 Cl2 N2 O2 Zr -","- C36 H58 Cl2 N2 O2 Zr -","- C144 H232 Cl8 N8 O8 Zr4 -","4","0.5","","Karen J. Blackmore; Joseph W. Ziller; Alan F. Heyduk","""Oxidative Addition"" to a Zirconium(IV) Redox-Active Ligand Complex","Inorganic Chemistry","2005","44","","5559","5561","10.1021/ic050997c","","","0.71073","MoKα","","0.0577","0.0396","","","0.0845","0.0928","","","","","","1.097","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4309392","13.3292","0.0017","19.672","0.002","19.2","0.002","90","","102.262","0.002","90","","4919.6","1","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H86 N2 O4 Zr -","- C49 H74 N2 O4 Zr -","- C196 H296 N8 O16 Zr4 -","4","1","","Karen J. Blackmore; Joseph W. Ziller; Alan F. Heyduk","""Oxidative Addition"" to a Zirconium(IV) Redox-Active Ligand Complex","Inorganic Chemistry","2005","44","","5559","5561","10.1021/ic050997c","","","0.71073","MoKα","","0.0914","0.0506","","","0.1136","0.1356","","","","","","1.076","","","","has coordinates,has disorder","179131","2020-10-21","18:00:00",""
"4309393","23.662","0.005","8.931","0.002","24.759","0.003","90","","103.23","0.01","90","","5093.3","1.7","123.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 Cl2 Cu N4 O4 -","- C22 H34 Cl2 Cu N4 O4 -","- C176 H272 Cl16 Cu8 N32 O32 -","8","1","","Zhicheng Zhu; Satoru Karasawa; Noboru Koga","Crystal Structures and Magnetic Properties of Complexes of MIICl2 (M = Cu, Ni, and Co) Coordinated with 4-(N-tert-butyloxyamino)-2-(methoxymethylenyl)pyridine: 2D Magnetic Anisotropy of the Aminoxyl-CoII Complex in the Crystalline State","Inorganic Chemistry","2005","44","","6004","6011","10.1021/ic048441x","","","0.7107","MoKα","","","0.05","","","","0.082","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309394","20.05","0.02","11.14","0.01","14.25","0.01","90","","127.1","0.03","90","","2539","4","123.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 Cl2 N4 Ni O4 -","- C22 H34 Cl2 N4 Ni O4 -","- C88 H136 Cl8 N16 Ni4 O16 -","4","0.5","","Zhicheng Zhu; Satoru Karasawa; Noboru Koga","Crystal Structures and Magnetic Properties of Complexes of MIICl2 (M = Cu, Ni, and Co) Coordinated with 4-(N-tert-butyloxyamino)-2-(methoxymethylenyl)pyridine: 2D Magnetic Anisotropy of the Aminoxyl-CoII Complex in the Crystalline State","Inorganic Chemistry","2005","44","","6004","6011","10.1021/ic048441x","","","0.7107","MoKα","","","0.032","","","","0.052","","","","","","1.59","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309395","20.132","0.003","11.218","0.003","16.201","0.003","90","","135.128","0.008","90","","2581.4","1","123.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 Cl2 Co N4 O4 -","- C22 H34 Cl2 Co N4 O4 -","- C88 H136 Cl8 Co4 N16 O16 -","4","0.5","","Zhicheng Zhu; Satoru Karasawa; Noboru Koga","Crystal Structures and Magnetic Properties of Complexes of MIICl2 (M = Cu, Ni, and Co) Coordinated with 4-(N-tert-butyloxyamino)-2-(methoxymethylenyl)pyridine: 2D Magnetic Anisotropy of the Aminoxyl-CoII Complex in the Crystalline State","Inorganic Chemistry","2005","44","","6004","6011","10.1021/ic048441x","","","0.7107","MoKα","","","0.034","","","","0.07","","","","","","1.405","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309396","10.35","0.0001","14.1622","0.0002","14.7297","0.0002","88.1049","0.0006","88.2305","0.0006","85.0893","0.0007","2149.11","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H8 Au2 Cl20 O Tl2 -","- C32 H8 Au2 Cl20 O Tl2 -","- C64 H16 Au4 Cl40 O2 Tl4 -","2","1","","Eduardo J. Fernández; José M. López-de-Luzuriaga; M. Elena Olmos; Javier Pérez; Antonio Laguna; M. Cristina Lagunas","A Family of Au-Tl Loosely Bound Butterfly Clusters","Inorganic Chemistry","2005","44","","6012","6018","10.1021/ic050060b","","","0.71073","MoKα","","0.0443","0.0378","","","0.1094","0.1146","","","","","","1.059","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309397","10.2887","0.0001","14.1347","0.0002","14.6246","0.0002","86.7517","0.0008","87.7151","0.0008","85.4059","0.0006","2115.25","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H8 Au2 Cl20 O2 Tl2 -","- C29 H8 Au2 Cl20 O2 Tl2 -","- C58 H16 Au4 Cl40 O4 Tl4 -","2","1","","Eduardo J. Fernández; José M. López-de-Luzuriaga; M. Elena Olmos; Javier Pérez; Antonio Laguna; M. Cristina Lagunas","A Family of Au-Tl Loosely Bound Butterfly Clusters","Inorganic Chemistry","2005","44","","6012","6018","10.1021/ic050060b","","","0.71073","MoKα","","0.0504","0.0309","","","0.0508","0.0556","","","","","","1.014","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309398","11.4069","0.0001","14.3783","0.0002","17.8738","0.0002","97.3468","0.0007","103.26","0.0006","96.4217","0.0006","2799.51","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H24 Au2 Cl20 N2 O2 Tl2 -","- C46 H24 Au2 Cl20 N2 O2 Tl2 -","- C92 H48 Au4 Cl40 N4 O4 Tl4 -","2","1","","Eduardo J. Fernández; José M. López-de-Luzuriaga; M. Elena Olmos; Javier Pérez; Antonio Laguna; M. Cristina Lagunas","A Family of Au-Tl Loosely Bound Butterfly Clusters","Inorganic Chemistry","2005","44","","6012","6018","10.1021/ic050060b","","","0.71073","MoKα","","0.0395","0.0309","","","0.0695","0.0733","","","","","","1.034","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309399","23.3664","0.0006","18.7097","0.0006","20.0991","0.0006","90","","90","","90","","8786.9","0.4","100","2","100","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C32 H64 Br2 Cl2 N8 Ni2 O9 -","- C32 H62 Br2 Cl0.5 N8 Ni2 O2 -","- C256 H496 Br16 Cl4 N64 Ni16 O16 -","8","1","","Konrad T. Szacilowski; Puhui Xie; Aramice Y. S. Malkhasian; Mary Jane Heeg; Manawadevi Y. Udugala-Ganehenege; Lowell E. Wenger; John F. Endicott","Solid-State Structures and Magnetic Properties of Halide-Bridged, Face-to-Face Bis-Nickel(II)-Macrocyclic Ligand Complexes: Ligand-Mediated Interchanges of Electronic Configuration","Inorganic Chemistry","2005","44","","6019","6033","10.1021/ic050147x","","","0.71073","MoKα","","0.0448","0.0339","","","0.0911","0.0932","","","","","","1.127","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309400","11.207","0.002","23.884","0.005","17.648","0.003","90","","100.896","0.005","90","","4638.6","1.5","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H64 Cl4 N8 Ni2 O13 -","- C32 H62 Cl2 N8 Ni2 O4 -","- C128 H248 Cl8 N32 Ni8 O16 -","4","1","","Konrad T. Szacilowski; Puhui Xie; Aramice Y. S. Malkhasian; Mary Jane Heeg; Manawadevi Y. Udugala-Ganehenege; Lowell E. Wenger; John F. Endicott","Solid-State Structures and Magnetic Properties of Halide-Bridged, Face-to-Face Bis-Nickel(II)-Macrocyclic Ligand Complexes: Ligand-Mediated Interchanges of Electronic Configuration","Inorganic Chemistry","2005","44","","6019","6033","10.1021/ic050147x","","","0.71073","MoKα","","0.1814","0.0802","","","0.1985","0.2221","","","","","","0.774","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309401","18.781","0.004","9.343","0.0018","28.009","0.006","90","","97.421","0.002","90","","4873.6","1.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H70 Cl4 N8 Ni2 O18 -","- C34 H68 Cl4 N8 Ni2 O18 -","- C136 H272 Cl16 N32 Ni8 O72 -","4","1","","Konrad T. Szacilowski; Puhui Xie; Aramice Y. S. Malkhasian; Mary Jane Heeg; Manawadevi Y. Udugala-Ganehenege; Lowell E. Wenger; John F. Endicott","Solid-State Structures and Magnetic Properties of Halide-Bridged, Face-to-Face Bis-Nickel(II)-Macrocyclic Ligand Complexes: Ligand-Mediated Interchanges of Electronic Configuration","Inorganic Chemistry","2005","44","","6019","6033","10.1021/ic050147x","","","0.71073","MoKα","","0.3205","0.091","","","0.1993","0.2715","","","","","","0.823","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309402","25.311","0.002","18.5001","0.0013","20.4973","0.0017","90","","90","","90","","9598","1.3","295","2","295","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H62 Cl3 I N8 Ni2 O12 -","- C32 H62 I N8 Ni2 -","- C256 H496 I8 N64 Ni16 -","8","1","","Konrad T. Szacilowski; Puhui Xie; Aramice Y. S. Malkhasian; Mary Jane Heeg; Manawadevi Y. Udugala-Ganehenege; Lowell E. Wenger; John F. Endicott","Solid-State Structures and Magnetic Properties of Halide-Bridged, Face-to-Face Bis-Nickel(II)-Macrocyclic Ligand Complexes: Ligand-Mediated Interchanges of Electronic Configuration","Inorganic Chemistry","2005","44","","6019","6033","10.1021/ic050147x","","","0.71073","MoKα","","0.0907","0.0346","","","0.0775","0.0849","","","","","","0.719","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309403","23.084","0.003","9.3783","0.0011","20.097","0.003","90","","90","","90","","4350.8","1","295","2","295","2","","","","","","","","7","I m a 2","I 2 -2a","46","","","","- C32 H64 Br2 Cl2 N8 Ni2 O9 -","- C32 H62 Br2 N8 Ni2 -","- C128 H248 Br8 N32 Ni8 -","4","0.5","","Konrad T. Szacilowski; Puhui Xie; Aramice Y. S. Malkhasian; Mary Jane Heeg; Manawadevi Y. Udugala-Ganehenege; Lowell E. Wenger; John F. Endicott","Solid-State Structures and Magnetic Properties of Halide-Bridged, Face-to-Face Bis-Nickel(II)-Macrocyclic Ligand Complexes: Ligand-Mediated Interchanges of Electronic Configuration","Inorganic Chemistry","2005","44","","6019","6033","10.1021/ic050147x","","","0.71073","MoKα","","0.0747","0.05","","","0.1268","0.1349","","","","","","0.916","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309404","11.253","0.002","23.91","0.005","17.381","0.004","90","","102.474","0.007","90","","4566.1","1.6","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H65 Br Cl3 N8 Ni2 O12.5 -","- C32 H62 Br Cl N8 Ni2 O4 -","- C128 H248 Br4 Cl4 N32 Ni8 O16 -","4","1","","Konrad T. Szacilowski; Puhui Xie; Aramice Y. S. Malkhasian; Mary Jane Heeg; Manawadevi Y. Udugala-Ganehenege; Lowell E. Wenger; John F. Endicott","Solid-State Structures and Magnetic Properties of Halide-Bridged, Face-to-Face Bis-Nickel(II)-Macrocyclic Ligand Complexes: Ligand-Mediated Interchanges of Electronic Configuration","Inorganic Chemistry","2005","44","","6019","6033","10.1021/ic050147x","","","0.71073","MoKα","","0.1769","0.0924","","","0.239","0.2681","","","","","","0.953","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309405","20.384","0.003","13.368","0.002","33.608","0.006","90","","91.505","0.003","90","","9155","3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H57 Cl4 N8 Ni2 O17.5 -","- C32 H54 Cl4 N8 Ni2 O17.5 -","- C256 H432 Cl32 N64 Ni16 O140 -","8","2","","Konrad T. Szacilowski; Puhui Xie; Aramice Y. S. Malkhasian; Mary Jane Heeg; Manawadevi Y. Udugala-Ganehenege; Lowell E. Wenger; John F. Endicott","Solid-State Structures and Magnetic Properties of Halide-Bridged, Face-to-Face Bis-Nickel(II)-Macrocyclic Ligand Complexes: Ligand-Mediated Interchanges of Electronic Configuration","Inorganic Chemistry","2005","44","","6019","6033","10.1021/ic050147x","","","0.71073","MoKα","","0.1541","0.0808","","","0.247","0.2834","","","","","","0.992","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309406","9.1751","0.0005","20.7021","0.0013","20.7219","0.0013","90","","95.941","0.003","90","","3914.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 Br4 N8 Ni2 O -","- C32 H64 Br4 N8 Ni2 O -","- C128 H256 Br16 N32 Ni8 O4 -","4","1","","Konrad T. Szacilowski; Puhui Xie; Aramice Y. S. Malkhasian; Mary Jane Heeg; Manawadevi Y. Udugala-Ganehenege; Lowell E. Wenger; John F. Endicott","Solid-State Structures and Magnetic Properties of Halide-Bridged, Face-to-Face Bis-Nickel(II)-Macrocyclic Ligand Complexes: Ligand-Mediated Interchanges of Electronic Configuration","Inorganic Chemistry","2005","44","","6019","6033","10.1021/ic050147x","","","0.71073","MoKα","","0.079","0.0521","","","0.1295","0.1409","","","","","","1.026","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309407","15.928","0.008","8.755","0.004","20.77","0.01","90","","96.055","0.006","90","","2880","2","173.2","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H45 Cu Mo N2 O2 S3 -","- C22 H45 Cu Mo N2 O2 S3 -","- C88 H180 Cu4 Mo4 N8 O8 S12 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0368","","","","0.0473","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309408","16.015","0.006","8.791","0.003","23.928","0.009","90","","104.712","0.004","90","","3258","2","173.2","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C23 H47 Cu Mo N2 O2 S3 -","- C23 H47 Cu Mo N2 O2 S3 -","- C92 H188 Cu4 Mo4 N8 O8 S12 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0621","","","","0.0874","","","","","","2.505","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309409","18.646","0.008","13.908","0.006","10.826","0.005","90","","90","","90","","2807","2","173.2","","","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C24 H35 Cu Mo N O2 P S2 -","- C26 H35 Cu Mo N O2 P S2 -","- C104 H140 Cu4 Mo4 N4 O8 P4 S8 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0214","","","","0.0237","","","","","","0.899","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309410","11.458","0.001","16.502","0.002","18.804","0.002","90","","95.055","0.002","90","","3541.6","0.6","173.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Cu Mo N O2 P2 S2 -","- C34 H44 Cu Mo N O2 P2 S2 -","- C136 H176 Cu4 Mo4 N4 O8 P8 S8 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0255","","","","0.035","","","","","","1.294","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309411","10.42","0.004","10.716","0.004","23.31","0.008","93.974","0.009","90.616","0.008","92.86","0.008","2593.1","1.6","173.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C49 H59 Cu Mo N O2 P3 S2 -","- C49 H59 Cu Mo N O2 P3 S2 -","- C98 H118 Cu2 Mo2 N2 O4 P6 S4 -","2","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0609","","","","0.0874","","","","","","1.418","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309412","14.843","0.003","13.79","0.003","29.128","0.007","90","","90","","90","","5962","2","173.2","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H44 Cu Mo N3 O S4 -","- C23 H24 Cu Mo N3 O S4 -","- C184 H192 Cu8 Mo8 N24 O8 S32 -","8","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0683","","","","0.0929","","","","","","1.837","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309413","9.286","0.003","29.31","0.01","12.483","0.004","90","","95.644","0.004","90","","3381.1","1.9","173.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 Cu Mo N2 O S6 -","- C28 H49 Cu Mo N2 O S5 -","- C112 H196 Cu4 Mo4 N8 O4 S20 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0565","","","","0.0663","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309414","17.831","0.009","12.226","0.006","17.806","0.009","90","","117.036","0.005","90","","3458","3","173.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H51 Cu Mo N2 O S5 -","- C29 H51 Cu Mo N2 O S5 -","- C116 H204 Cu4 Mo4 N8 O4 S20 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0","","","","0.0824","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309415","15.678","0.007","10.89","0.004","21.376","0.009","90","","95.278","0.005","90","","3634","3","173.2","","","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C28 H47 Cl2 Cu Mo N2 O S5 -","- C28 H47 Cl2 Cu Mo N2 O S5 -","- C112 H188 Cl8 Cu4 Mo4 N8 O4 S20 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0387","","","","0.0396","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309416","15.047","0.003","14.072","0.002","30.353","0.005","90","","90","","90","","6427","1.9","173.2","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H49 Cu Mo N2 O S5 -","- C24 H49 Cu Mo N2 O S5 -","- C192 H392 Cu8 Mo8 N16 O8 S40 -","8","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.08","","","","0.0893","","","","","","1.734","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309417","9.71","0.0006","10.2317","0.0006","20.459","0.0012","83.1693","0.0009","76.9049","0.0008","84.1473","0.0009","1959.8","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H28 Au2 Cl2 F6 P2 S2 -","- C39 H28 Au2 Cl2 F6 P2 S2 -","- C78 H56 Au4 Cl4 F12 P4 S4 -","2","1","","David Sud; Robert McDonald; Neil R. Branda","Synthesis and Coordination Chemistry of a Photoswitchable Bis(phosphine) Ligand","Inorganic Chemistry","2005","44","","5960","5962","10.1021/ic050429x","","","0.71073","MoKα","","0.0249","0.0214","","","0.0511","0.0542","","","","","","1.063","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309418","12.7491","0.0012","13.3015","0.0013","9.0112","0.0009","90","","107.195","0.002","90","","1459.8","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Re(DPYM)tricarbonyl","Tricarbonyl-bromide-di(2-pyridyl)methane-rhenium","","- C14 H10 Br N2 O3 Re -","- C14 H10 Br N2 O3 Re -","- C56 H40 Br4 N8 O12 Re4 -","4","1","","Niklaus Marti; Bernhard Spingler; Frank Breher; Roger Schibli","Comparative Studies of Substitution Reactions of Rhenium(I) Dicarbonyl-Nitrosyl and Tricarbonyl Complexes in Aqueous Media","Inorganic Chemistry","2005","44","","6082","6091","10.1021/ic050442h","","","0.71073","MoKα","","0.0529","0.0446","","","0.0841","0.0866","","","","","","1.234","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309419","14.6071","0.0006","8.0573","0.0003","24.721","0.0011","90","","107.117","0.005","90","","2780.6","0.2","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Re(PADA)nitrosyl","Carbonyl-nitrosyl-picolylaminediaceticacid-rhenium","","- C23 H24 N6 O13 Re2 -","- C23 H24 N6 O13 Re2 -","- C92 H96 N24 O52 Re8 -","4","1","","Niklaus Marti; Bernhard Spingler; Frank Breher; Roger Schibli","Comparative Studies of Substitution Reactions of Rhenium(I) Dicarbonyl-Nitrosyl and Tricarbonyl Complexes in Aqueous Media","Inorganic Chemistry","2005","44","","6082","6091","10.1021/ic050442h","","","0.71073","MoKα","","0.0484","0.0405","","","0.1076","0.1107","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309420","6.9091","0.0005","9.8828","0.0007","14.2834","0.001","89.246","0.009","89.42","0.009","86.196","0.009","973.01","0.12","183","2","183","2","","","","","","","","5","P -1","-P 1","2","Re(IDA)nitrosyl","Dicarbonyl-nitrosyl-iminodiaceticacid-rhenium","","- C6 H5 N2 O7 Re -","- C6 H5 N2 O7 Re -","- C24 H20 N8 O28 Re4 -","4","2","","Niklaus Marti; Bernhard Spingler; Frank Breher; Roger Schibli","Comparative Studies of Substitution Reactions of Rhenium(I) Dicarbonyl-Nitrosyl and Tricarbonyl Complexes in Aqueous Media","Inorganic Chemistry","2005","44","","6082","6091","10.1021/ic050442h","","","0.71073","MoKα","","0.0747","0.0676","","","0.1558","0.1627","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309421","9.8236","0.0008","10.0949","0.0008","12.5346","0.001","108.679","0.009","111.992","0.009","95.426","0.01","1058.82","0.19","183","2","183","2","","","","","","","","6","P -1","-P 1","2","Re(DPYM)nitrosyl","Bromo-dicarbonyl-nitrosyl-bromide-di(2-pyridyl)methane-rhenium","","- C16 H16 Br2 N3 O5 Re -","- C16 H16 Br2 N3 O5 Re -","- C32 H32 Br4 N6 O10 Re2 -","2","1","","Niklaus Marti; Bernhard Spingler; Frank Breher; Roger Schibli","Comparative Studies of Substitution Reactions of Rhenium(I) Dicarbonyl-Nitrosyl and Tricarbonyl Complexes in Aqueous Media","Inorganic Chemistry","2005","44","","6082","6091","10.1021/ic050442h","","","0.71073","MoKα","","0.0758","0.073","","","0.17","0.1736","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309422","14.567","0.0012","13.1451","0.0011","14.8647","0.0012","90","","90","","90","","2846.4","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Re(PADA)tricarbony","Tricarbonyl-picolylaminediaceticacid-rhenium","","- C13 H11 N2 O7 Re -","- C13 H11 N2 O7 Re -","- C104 H88 N16 O56 Re8 -","8","1","","Niklaus Marti; Bernhard Spingler; Frank Breher; Roger Schibli","Comparative Studies of Substitution Reactions of Rhenium(I) Dicarbonyl-Nitrosyl and Tricarbonyl Complexes in Aqueous Media","Inorganic Chemistry","2005","44","","6082","6091","10.1021/ic050442h","","","0.71073","MoKα","","0.07","0.0495","","","0.0892","0.0952","","","","","","1.168","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309423","22.613","0.005","5.311","0.001","18.137","0.005","90","","90","","90","","2178.2","0.9","133.2","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H24 Cl N3 O2 Pd -","- C24 H24 Cl N3 O2 Pd -","- C96 H96 Cl4 N12 O8 Pd4 -","4","1","","Yuichi Shimazaki; Minoru Tashiro; Takeshi Motoyama; Satoshi Iwatsuki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Cyclopalladation of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands and Its Dependence on the O-Donor Properties","Inorganic Chemistry","2005","44","","6044","6051","10.1021/ic0504801","","","0.7107","MoKα","","","0.0528","","","","0.1152","","","","","","1.318","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309424","21.143","0.01","14.237","0.01","17.331","0.009","90","","99.18","0.03","90","","5150","5","133.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 Cl N4 O3 Pd -","- C23 H21 Cl N4 O3 Pd -","- C184 H168 Cl8 N32 O24 Pd8 -","8","1","","Yuichi Shimazaki; Minoru Tashiro; Takeshi Motoyama; Satoshi Iwatsuki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Cyclopalladation of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands and Its Dependence on the O-Donor Properties","Inorganic Chemistry","2005","44","","6044","6051","10.1021/ic0504801","","","0.7107","MoKα","","","0.0907","","","","0.2057","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309425","8.611","0.001","7.983","0.001","13.89","0.003","87.206","0.009","77.22","0.01","113.437","0.009","844.3","0.2","133.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl N3 O2 Pd -","- C18 H18 Cl N3 O2 Pd -","- C36 H36 Cl2 N6 O4 Pd2 -","2","1","","Yuichi Shimazaki; Minoru Tashiro; Takeshi Motoyama; Satoshi Iwatsuki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Cyclopalladation of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands and Its Dependence on the O-Donor Properties","Inorganic Chemistry","2005","44","","6044","6051","10.1021/ic0504801","","","0.7107","MoKα","","","0.0347","","","","0.0894","","","","","","1.394","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309426","9.8716","0.0007","9.8716","0.0007","25.642","0.002","90","","90","","120","","2164","0.3","180","2","180","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C36 H57 Cl3 Cu2 N8 O14 -","- C36 H57 Cl3 Cu2 N8 O14.02 -","- C72 H114 Cl6 Cu4 N16 O28.04 -","2","0.166667","","Andrew D. Bond; Sofia Derossi; Frank Jensen; Frank B. Larsen; Christine J. McKenzie; Jane Nelson","Squeezing the [Cu-OH...H2O-Cu]3+ Bridge by Cryptate Encapsulation","Inorganic Chemistry","2005","44","","5987","5989","10.1021/ic0505091","","","0.71073","MoKα","","0.0535","0.0452","","","0.1321","0.1401","","","","","","1.048","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309427","19.487","0.004","13.489","0.003","25.289","0.005","90","","90","","90","","6647","2","253","2","253","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H27 F3 N5 O7 Re S -","- C34 H26 F3 N5 O7 Re S -","- C272 H208 F24 N40 O56 Re8 S8 -","8","1","","Kenneth Kam-Wing Lo; Keith Hing-Kit Tsang; Wai-Ki Hui; Nianyong Zhu","Synthesis, Characterization, Crystal Structure, and Electrochemical, Photophysical, and Protein-Binding Properties of Luminescent Rhenium(I) Diimine Indole Complexes","Inorganic Chemistry","2005","44","","6100","6110","10.1021/ic050531u","","","0.71073","MoKα","","0.0597","0.0433","","","0.1176","0.1229","","","","","","1.028","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309428","30.698","0.004","7.964","0.0011","22.463","0.003","90","","106.066","0.01","90","","5277.2","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Cl2 N5 O6 Ru -","- C26 H21 Cl2 N5 O6 Ru -","- C208 H168 Cl16 N40 O48 Ru8 -","8","1","","Sounak Sarkar; Biprajit Sarkar; Nripen Chanda; Sanjib Kar; Shaikh M. Mobin; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Complex Series [Ru(tpy)(dpk)(X)]n+ (tpy = 2,2':6',2''-Terpyridine; dpk = 2,2'-Dipyridyl Ketone; X = Cl-, CH3CN, NO2-, NO+, NO., NO-): Substitution and Electron Transfer, Structure, and Spectroscopy","Inorganic Chemistry","2005","44","","6092","6099","10.1021/ic050533e","","","0.71073","MoKα","","0.0662","0.0346","","","0.0832","0.0939","","","","","","1.051","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309429","10.0946","0.0014","11.1302","0.0011","13.991","0.002","80.7","0.013","75.7","0.011","84.439","0.015","1500.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Cl2 N6 O9 Ru -","- C28 H22 Cl2 N6 O9 Ru -","- C56 H44 Cl4 N12 O18 Ru2 -","2","1","","Sounak Sarkar; Biprajit Sarkar; Nripen Chanda; Sanjib Kar; Shaikh M. Mobin; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Complex Series [Ru(tpy)(dpk)(X)]n+ (tpy = 2,2':6',2''-Terpyridine; dpk = 2,2'-Dipyridyl Ketone; X = Cl-, CH3CN, NO2-, NO+, NO., NO-): Substitution and Electron Transfer, Structure, and Spectroscopy","Inorganic Chemistry","2005","44","","6092","6099","10.1021/ic050533e","","","0.71073","MoKα","","0.1154","0.0573","","","0.1363","0.1566","","","","","","1.027","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309430","8.695","0.0007","19.876","0.0019","15.63","0.003","90","","105.503","0.011","90","","2602.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cl N6 O7 Ru -","- C26 H19 Cl N6 O7 Ru -","- C104 H76 Cl4 N24 O28 Ru4 -","4","1","","Sounak Sarkar; Biprajit Sarkar; Nripen Chanda; Sanjib Kar; Shaikh M. Mobin; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Complex Series [Ru(tpy)(dpk)(X)]n+ (tpy = 2,2':6',2''-Terpyridine; dpk = 2,2'-Dipyridyl Ketone; X = Cl-, CH3CN, NO2-, NO+, NO., NO-): Substitution and Electron Transfer, Structure, and Spectroscopy","Inorganic Chemistry","2005","44","","6092","6099","10.1021/ic050533e","","","0.71073","MoKα","","0.074","0.0444","","","0.116","0.1278","","","","","","1.057","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309431","12.944","0.008","17.396","0.003","16.514","0.001","90","","97","0.04","90","","3691","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Cl3 N8 O14 Ru -","- C30 H25 Cl3 N8 O14 Ru -","- C120 H100 Cl12 N32 O56 Ru4 -","4","1","","Sounak Sarkar; Biprajit Sarkar; Nripen Chanda; Sanjib Kar; Shaikh M. Mobin; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Complex Series [Ru(tpy)(dpk)(X)]n+ (tpy = 2,2':6',2''-Terpyridine; dpk = 2,2'-Dipyridyl Ketone; X = Cl-, CH3CN, NO2-, NO+, NO., NO-): Substitution and Electron Transfer, Structure, and Spectroscopy","Inorganic Chemistry","2005","44","","6092","6099","10.1021/ic050533e","","","0.71073","MoKα","","0.2908","0.0671","","","0.1488","0.2114","","","","","","0.909","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309432","27.216","0.003","10.2993","0.0008","20.5772","0.0019","90","","122.024","0.004","90","","4890.2","0.8","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cl2 N6 Rh -","- C24 H21 Cl2 N6 Rh -","- C192 H168 Cl16 N48 Rh8 -","8","1","","Jahar lal Pratihar; Nilkamal Maiti; Surajit Chattopadhyay","Reactions of 2-(Arylazo) Aniline with RhCl3: Synthesis and Structure of New Cyclometalated Complexes of Rh(III) and Recognition of RhCl3 Assisted Azo (NN) Cleavage","Inorganic Chemistry","2005","44","","6111","6114","10.1021/ic050551w","","","0.71073","MoKα","","0.0698","0.0363","","","0.0782","0.0871","","","","","","0.984","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309433","12.251","0.012","12.438","0.012","13.836","0.013","91.21","0.02","98.51","0.02","101.85","0.03","2038","3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl4 N8 O Rh2 -","- C36 H34 Cl4 N8 O Rh2 -","- C72 H68 Cl8 N16 O2 Rh4 -","2","1","","Jahar lal Pratihar; Nilkamal Maiti; Surajit Chattopadhyay","Reactions of 2-(Arylazo) Aniline with RhCl3: Synthesis and Structure of New Cyclometalated Complexes of Rh(III) and Recognition of RhCl3 Assisted Azo (NN) Cleavage","Inorganic Chemistry","2005","44","","6111","6114","10.1021/ic050551w","","","0.71073","MoKα","","0.0698","0.0396","","","0.0901","0.1025","","","","","","1.021","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309434","13.45","0.003","17.818","0.003","20.331","0.004","66.649","0.005","83.754","0.005","77.588","0.005","4367.2","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C97 H105 Er K2 N4 O5 P4 -","- C97 H105 Er K2 N4 O5 P4 -","- C194 H210 Er2 K4 N8 O10 P8 -","2","1","","Michael T. Gamer; Peter W. Roesky","Lanthanide-Potassium Wheels","Inorganic Chemistry","2005","44","","5963","5965","10.1021/ic050557l","","","0.71073","MoKα","","0.1298","0.0582","","","0.1241","0.1495","","","","","","0.911","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309435","13.4349","0.0004","17.8376","0.0006","20.3027","0.0007","66.196","0.002","83.654","0.003","77.277","0.003","4341","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C97 H105 K2 N4 O5 P4 Yb -","- C97 H105 K2 N4 O5 P4 Yb -","- C194 H210 K4 N8 O10 P8 Yb2 -","2","1","","Michael T. Gamer; Peter W. Roesky","Lanthanide-Potassium Wheels","Inorganic Chemistry","2005","44","","5963","5965","10.1021/ic050557l","","","0.71073","MoKα","","0.0578","0.042","","","0.09","0.095","","","","","","1.013","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309436","29.512","0.005","29.512","0.005","23.318","0.007","90","","90","","90","","20309","8","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C57 H53 K N3 O P2 Sm -","- C57 H53 K N3 O P2 Sm -","- C912 H848 K16 N48 O16 P32 Sm16 -","16","1","","Michael T. Gamer; Peter W. Roesky","Lanthanide-Potassium Wheels","Inorganic Chemistry","2005","44","","5963","5965","10.1021/ic050557l","","","0.71073","MoKα","","0.0877","0.0509","","","0.1495","0.1745","","","","","","1.161","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309437","20.3563","0.0017","11.6181","0.001","16.2844","0.0014","90","","94.58","0.002","90","","3839","0.6","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F9 N5 O10 S3 U -","- C28 H25 F9 N5 O10 S3 U -","- C112 H100 F36 N20 O40 S12 U4 -","4","1","","Louise Natrajan; Marinella Mazzanti; Jean-Philippe Bezombes; Jacques Pécaut","Practical Synthetic Routes to Solvates of U(OTf)3: X-ray Crystal Structure of [U(OTf)3(MeCN)3]n, a Unique U(III) Coordination Polymer","Inorganic Chemistry","2005","44","","6115","6121","10.1021/ic0505652","","","0.71073","MoKα","","0.044","0.0285","","","0.0667","0.07","","","","","","0.987","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309438","14.055","0.004","13.973","0.004","18.653","0.006","90","","110.751","0.005","90","","3425.6","1.8","223","2","223","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C23 H20 F9 N4 O9.5 S3 U -","- C23 H20 F9 N4 O9.5 S3 U -","- C92 H80 F36 N16 O38 S12 U4 -","4","1","","Louise Natrajan; Marinella Mazzanti; Jean-Philippe Bezombes; Jacques Pécaut","Practical Synthetic Routes to Solvates of U(OTf)3: X-ray Crystal Structure of [U(OTf)3(MeCN)3]n, a Unique U(III) Coordination Polymer","Inorganic Chemistry","2005","44","","6115","6121","10.1021/ic0505652","","","0.71073","MoKα","","0.0911","0.0583","","","0.1402","0.1537","","","","","","1.106","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309439","5.8681","0.0016","10.587","0.003","19.064","0.005","97.498","0.004","94.104","0.004","91.772","0.005","1170.3","0.6","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H9 F9 N3 O9 S3 U -","- C9 H9 F9 N3 O9 S3 U -","- C18 H18 F18 N6 O18 S6 U2 -","2","1","","Louise Natrajan; Marinella Mazzanti; Jean-Philippe Bezombes; Jacques Pécaut","Practical Synthetic Routes to Solvates of U(OTf)3: X-ray Crystal Structure of [U(OTf)3(MeCN)3]n, a Unique U(III) Coordination Polymer","Inorganic Chemistry","2005","44","","6115","6121","10.1021/ic0505652","","","0.71073","MoKα","","0.0185","0.0175","","","0.0436","0.0441","","","","","","1.028","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309440","8.677","0.0002","13.093","0.0002","14.666","0.0004","90","","95.115","0.001","90","","1659.54","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl Cu N5 O4 -","- C13 H19 Cl Cu N5 O4 -","- C52 H76 Cl4 Cu4 N20 O16 -","4","1","","Chang-Chuan Chou; Chan-Cheng Su; Andrew Yeh","Mononuclear and Dinuclear Copper(I) Complexes of Bis(3,5-dimethylpyrazol-1-yl)methane: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2005","44","","6122","6128","10.1021/ic050568e","","","0.71073","MoKα","","0.0621","0.0475","","","0.139","0.1578","","","","","","1.094","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309441","7.767","0.0003","9.726","0.0004","12.194","0.0005","112.198","0.001","97.555","0.001","103.242","0.002","805.55","0.06","100","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl Cu N4 O5 -","- C12 H16 Cl Cu N4 O5 -","- C24 H32 Cl2 Cu2 N8 O10 -","2","1","","Chang-Chuan Chou; Chan-Cheng Su; Andrew Yeh","Mononuclear and Dinuclear Copper(I) Complexes of Bis(3,5-dimethylpyrazol-1-yl)methane: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2005","44","","6122","6128","10.1021/ic050568e","","","0.71073","MoKα","","0.055","0.0449","","","0.123","0.1424","","","","","","1.139","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309442","7.602","0.0001","11.362","0.0002","12.149","0.0003","83.993","0.001","75.573","0.001","73.326","0.001","972.91","0.03","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Cl2 Cu2 N12 O8 -","- C30 H42 Cl2 Cu2 N12 O8 -","- C30 H42 Cl2 Cu2 N12 O8 -","1","0.5","","Chang-Chuan Chou; Chan-Cheng Su; Andrew Yeh","Mononuclear and Dinuclear Copper(I) Complexes of Bis(3,5-dimethylpyrazol-1-yl)methane: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2005","44","","6122","6128","10.1021/ic050568e","","","0.71073","MoKα","","0.0546","0.043","","","0.1251","0.1364","","","","","","1.079","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309443","7.746","0.0007","10.584","0.0009","11.003","0.0012","83.844","0.003","83.128","0.004","84.848","0.004","887.71","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Cl2 Cu2 N10 O10 -","- C28 H36 Cl2 Cu2 N10 O10 -","- C28 H36 Cl2 Cu2 N10 O10 -","1","0.5","","Chang-Chuan Chou; Chan-Cheng Su; Andrew Yeh","Mononuclear and Dinuclear Copper(I) Complexes of Bis(3,5-dimethylpyrazol-1-yl)methane: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2005","44","","6122","6128","10.1021/ic050568e","","","0.71073","MoKα","","0.1318","0.0702","","","0.1527","0.1863","","","","","","1.022","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309444","8.3966","0.0005","10.3157","0.0007","18.9226","0.0012","102.178","0.001","96.048","0.001","106.382","0.001","1513.15","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H31 Cl Cu N4 O4 P -","- C29 H31 Cl Cu N4 O4 P -","- C58 H62 Cl2 Cu2 N8 O8 P2 -","2","1","","Chang-Chuan Chou; Chan-Cheng Su; Andrew Yeh","Mononuclear and Dinuclear Copper(I) Complexes of Bis(3,5-dimethylpyrazol-1-yl)methane: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2005","44","","6122","6128","10.1021/ic050568e","","","0.7093","","","0.1896","0.0623","","","0.1471","0.1882","","","","","","0.826","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309445","13.439","0.001","13.439","0.001","20.4214","0.001","90","","90","","90","","3688.2","0.4","240","2","240","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C64 H128 B4 Eu K2 O8 -","- C64 H128 B4 Eu K2 O8 -","- C128 H256 B8 Eu2 K4 O16 -","2","0.125","","Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore","Europium(II) and Ytterbium(II) Cyclic Organohydroborates with Agostic Interactions","Inorganic Chemistry","2005","44","","6052","6061","10.1021/ic050573i","","","0.71073","MoKα","","0.0641","0.0452","","","0.1383","0.1553","","","","","","1.057","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4309446","13.3634","0.0001","13.3634","0.0001","20.2053","0.0001","90","","90","","90","","3608.27","0.04","473","2","473","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C64 H128 B4 K2 O8 Yb -","- C64 H128 B4 K2 O8 Yb -","- C128 H256 B8 K4 O16 Yb2 -","2","0.125","","Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore","Europium(II) and Ytterbium(II) Cyclic Organohydroborates with Agostic Interactions","Inorganic Chemistry","2005","44","","6052","6061","10.1021/ic050573i","","","0.71073","MoKα","","0.0715","0.0508","","","0.1569","0.1763","","","","","","1.007","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309447","32.3315","0.0003","17.2577","0.0002","19.4755","0.0002","90","","90","","90","","10866.7","0.2","240","2","240","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C48 H104 B4 Eu N2 O2 -","- C48 H104 B4 N2 O2 Ra -","- C384 H832 B32 N16 O16 Ra8 -","8","0.5","","Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore","Europium(II) and Ytterbium(II) Cyclic Organohydroborates with Agostic Interactions","Inorganic Chemistry","2005","44","","6052","6061","10.1021/ic050573i","","","0.71073","MoKα","","0.0287","0.0225","","","0.0562","0.0589","","","","","","1.068","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309448","10.6239","0.001","20.1448","0.001","20.7248","0.001","90","","102.72","","90","","4326.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H88 B4 N2 Yb -","- C40 H88 B4 N2 Yb -","- C160 H352 B16 N8 Yb4 -","4","0.5","","Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore","Europium(II) and Ytterbium(II) Cyclic Organohydroborates with Agostic Interactions","Inorganic Chemistry","2005","44","","6052","6061","10.1021/ic050573i","","","0.71073","MoKα","","0.0247","0.0226","","","0.067","0.081","","","","","","1.254","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309449","17.6283","0.001","19.8438","0.001","21.2642","0.001","90","","95.161","0.01","90","","7408.3","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H134 B4 Eu K2 O7 -","- C67 H100 B4 Eu O7 Rb2 -","- C268 H400 B16 Eu4 O28 Rb8 -","4","0.5","","Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore","Europium(II) and Ytterbium(II) Cyclic Organohydroborates with Agostic Interactions","Inorganic Chemistry","2005","44","","6052","6061","10.1021/ic050573i","","","0.71073","MoKα","","0.0551","0.0429","","","0.1078","0.1137","","","","","","1.038","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309450","17.6244","0.001","19.9528","0.001","21.2835","0.001","90","","95.555","0.01","90","","7449.3","0.7","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H134 B4 K2 O7 Yb -","- C67 H112 B4 K2 O7 Ra12 Yb -","- C268 H448 B16 K8 O28 Ra48 Yb4 -","4","0.5","","Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore","Europium(II) and Ytterbium(II) Cyclic Organohydroborates with Agostic Interactions","Inorganic Chemistry","2005","44","","6052","6061","10.1021/ic050573i","","","0.71073","MoKα","","0.0357","0.0303","","","0.0852","0.0886","","","","","","1.072","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309451","15.772","0.002","14.454","0.002","29.129","0.004","90","","104.24","0.002","90","","6436.5","1.5","93.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H72 Fe Mn3 N12 O13 -","- C62 H63 Fe Mn3 N12 O13 -","- C248 H252 Fe4 Mn12 N48 O52 -","4","1","","Hitoshi Miyasaka; Hitomi Takahashi; Tomokura Madanbashi; Ken-ichi Sugiura; Rodolphe Clérac; Hiroyuki Nojiri","Cyano-Bridged MnIII3MIII (MIII= Fe, Cr) Complexes: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2005","44","","5969","5971","10.1021/ic0505753","","","0.7107","MoKα","","","0.041","","","","0.131","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309452","15.8314","0.0013","14.5301","0.0011","29.226","0.002","90","","104.923","0.0013","90","","6496.2","0.9","93.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Cr Mn3 N12 O12 -","- C62 H63 Cr Mn3 N12 O12 -","- C248 H252 Cr4 Mn12 N48 O48 -","4","1","","Hitoshi Miyasaka; Hitomi Takahashi; Tomokura Madanbashi; Ken-ichi Sugiura; Rodolphe Clérac; Hiroyuki Nojiri","Cyano-Bridged MnIII3MIII (MIII= Fe, Cr) Complexes: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2005","44","","5969","5971","10.1021/ic0505753","","","0.7107","MoKα","","","0.064","","","","0.15","","","","","","1.246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309453","20.095","0.019","24.17","0.02","24.02","0.02","90","","103.06","0.02","90","","11365","17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C185 H226 N36 Ni12 O54 -","- C185 H156 N36 Ni12 O54 -","- C370 H312 N72 Ni24 O108 -","2","0.5","","Yan Bai; Dong-bin Dang; Chun-ying Duan; You Song; Qing-jin Meng","Synthesis and Structural Characterization of a Nonplanar Neutral [36]Metallacrown-12 Nickel Compound [Ni(C13H9N3O2)(CH3OH)]12","Inorganic Chemistry","2005","44","","5972","5974","10.1021/ic0506254","","","0.71073","MoKα","","0.1733","0.0708","","","0.156","0.1721","","","","","","1.022","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309454","13.28","0.003","13.641","0.003","16.356","0.003","89.68","0.03","88.31","0.03","75.87","0.03","2872","1.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H49.5 Ag4 I Mo6 N4 Na2 O47.25 -","- C24 H20 Ag4 I Mo6 N4 Na2 O47.25 -","- C48 H40 Ag8 I2 Mo12 N8 Na4 O94.5 -","2","1","","Haiyan An; Yangguang Li; Enbo Wang; Dongrong Xiao; Chunyan Sun; Lin Xu","Self-Assembly of a Series of Extended Architectures Based on Polyoxometalate Clusters and Silver Coordination Complexes","Inorganic Chemistry","2005","44","","6062","6070","10.1021/ic050636x","","","0.71073","MoKα","","0.1029","0.0427","","","0.1129","0.1314","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309455","11.978","0.002","12.008","0.002","13.607","0.003","116.14","0.03","108.85","0.03","93.86","0.03","1611.3","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H50 Ag3 I Mo6 N6 Na2 O46 -","- C36 H24 Ag3 I Mo6 N6 Na2 O46 -","- C36 H24 Ag3 I Mo6 N6 Na2 O46 -","1","0.5","","Haiyan An; Yangguang Li; Enbo Wang; Dongrong Xiao; Chunyan Sun; Lin Xu","Self-Assembly of a Series of Extended Architectures Based on Polyoxometalate Clusters and Silver Coordination Complexes","Inorganic Chemistry","2005","44","","6062","6070","10.1021/ic050636x","","","0.71073","MoKα","","0.0829","0.0491","","","0.1202","0.1377","","","","","","0.97","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309456","10.458","0.002","10.644","0.002","12.295","0.003","97.4","0.03","112.38","0.03","113.59","0.03","1094.1","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Ag Cr Mo6 N4 O36 -","- C24 H28 Ag Cr Mo6 N4 O36 -","- C24 H28 Ag Cr Mo6 N4 O36 -","1","0.5","","Haiyan An; Yangguang Li; Enbo Wang; Dongrong Xiao; Chunyan Sun; Lin Xu","Self-Assembly of a Series of Extended Architectures Based on Polyoxometalate Clusters and Silver Coordination Complexes","Inorganic Chemistry","2005","44","","6062","6070","10.1021/ic050636x","","","0.71073","MoKα","","0.0305","0.0268","","","0.0738","0.0755","","","","","","1","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309457","13.7084","0.0007","16.0177","0.0008","18.463","0.0009","100.631","0.001","103.373","0.001","107.167","0.001","3626.4","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H49 Cu3 F18 N15 P3 -","- C78 H49 Cu3 F18 N15 P3 -","- C156 H98 Cu6 F36 N30 P6 -","2","1","","Ruifa Zong; Randolph P. Thummel","2,2';9',2''-Ter[1,10]phenanthroline","Inorganic Chemistry","2005","44","","5984","5986","10.1021/ic050712w","","","0.71073","MoKα","","0.0493","0.0355","","","0.0898","0.1012","","","","","","1.012","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309458","12.1444","0.0005","6.2403","0.0002","13.8844","0.0007","90","","95.021","0.003","90","","1048.19","0.08","295","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl2 N3 O2 Pd2 S2 -","- C16 H22 Cl2 N3 O2 Pd2 S2 -","- C32 H44 Cl4 N6 O4 Pd4 S4 -","2","0.5","","Manda Ćurić; Darko Babić; Aleksandar Višnjevac; Krešimir Molčanov","Simple Route to the Doublyortho-Palladated Azobenzenes: Building Blocks for Organometallic Polymers and Metallomesogens","Inorganic Chemistry","2005","44","","5975","5977","10.1021/ic050747w","","x-ray","1.54179","CuKα","","0.0669","0.0415","","","0.1038","0.1148","","","","","","1.033","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309459","12.77","0.001","5.2796","0.0006","15.419","0.0008","90","","92.46","0.01","90","","1038.6","0.15","293","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 N4 O2 Pd2 -","- C18 H22 Cl2 N4 O2 Pd2 -","- C36 H44 Cl4 N8 O4 Pd4 -","2","0.5","","Manda Ćurić; Darko Babić; Aleksandar Višnjevac; Krešimir Molčanov","Simple Route to the Doublyortho-Palladated Azobenzenes: Building Blocks for Organometallic Polymers and Metallomesogens","Inorganic Chemistry","2005","44","","5975","5977","10.1021/ic050747w","","x-ray","1.54179","CuKα","","0.0633","0.048","","","0.1302","0.1409","","","","","","1.061","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309460","6.6289","0.0013","14.266","0.003","19.151","0.004","90","","90","","90","","1811.1","0.6","293","2","566","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 Co N2 O11 -","- C14 H22 Co N2 O11 -","- C56 H88 Co4 N8 O44 -","4","1","","Jing Lu; Jie-Hui Yu; Xiao-Yan Chen; Peng Cheng; Xiao Zhang; Ji-Qing Xu","Novel Self-Assembled Chain of Water Molecules in a Metal-Organic Framework Structure of Co(II) with Tartrate Acid","Inorganic Chemistry","2005","44","","5978","5980","10.1021/ic0507621","","","0.71073","MoKα","","0.0569","0.0531","","","0.1255","0.13","","","","","","1.088","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309461","13.9938","0.0002","13.9938","0.0002","62.1034","0.0009","90","","90","","90","","12161.5","0.3","180","2","180","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H42 N8 Ni9 O26 S8 -","- C48 H42 N8 Ni9 O26 S8 -","- C384 H336 N64 Ni72 O208 S64 -","8","0.25","","Simon M. Humphrey; Richard A. Mole; Mary McPartlin; Eric J. L. McInnes; Paul T. Wood","Isolated Magnetic Clusters of Co(II) and Ni(II) within 3-Dimensional Organic Frameworks of 6-Mercaptonicotinic Acid: Unique Structural Topologies Based on Selectivity for Hard and Soft Coordination Environments","Inorganic Chemistry","2005","44","","5981","5983","10.1021/ic050768q","","","0.71073","MoKα","","0.058","0.0402","","","0.0927","0.0988","","","","","","1.043","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309462","19.0136","0.0003","19.0136","0.0003","8.5131","0.0002","90","","90","","120","","2665.31","0.09","180","2","180","2","","","","","","","","7","P -3","-P 3","147","","","","- C72 H66 Cs2 N12 Ni12 O40 S12 -","- C72 H56 Cs2.02 N12 Ni12 O39.98 S12 -","- C72 H56 Cs2.02 N12 Ni12 O39.98 S12 -","1","0.166667","","Simon M. Humphrey; Richard A. Mole; Mary McPartlin; Eric J. L. McInnes; Paul T. Wood","Isolated Magnetic Clusters of Co(II) and Ni(II) within 3-Dimensional Organic Frameworks of 6-Mercaptonicotinic Acid: Unique Structural Topologies Based on Selectivity for Hard and Soft Coordination Environments","Inorganic Chemistry","2005","44","","5981","5983","10.1021/ic050768q","","","0.71073","MoKα","","0.0327","0.0299","","","0.0708","0.072","","","","","","1.042","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309463","11.2088","0.0011","12.0449","0.0012","23.011","0.003","74.877","0.002","89.529","0.002","71.256","0.002","2830.3","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","Pd2(m-TPG)(m-OAc)(n-TPG)(omet-TPG),2CD3CN","","","- C63 H57 N11 O2 Pd2 -","- C63 H57 N11 O2 Pd2 -","- C126 H114 N22 O4 Pd4 -","2","1","","John F. Berry; F. Albert Cotton; Sergey A. Ibragimov; Carlos A. Murillo; Xiaoping Wang","Searching for Precursors to Metal-Metal Bonded Dipalladium Species: A Study of Pd24+ Complexes","Inorganic Chemistry","2005","44","","6129","6137","10.1021/ic050876c","","","0.71073","MoKα","","0.041","0.0305","","","0.0855","0.0923","","","","","","0.999","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309464","10.306","0.003","10.337","0.003","13.774","0.005","81.103","0.005","76.788","0.005","81.146","0.006","1400.6","0.8","213","2","213","2","","","","","","","","5","P -1","-P 1","2","Pd2(DAniF)4","","","- C60 H60 N8 O8 Pd2 -","- C60 H60 N8 O8 Pd2 -","- C60 H60 N8 O8 Pd2 -","1","0.5","","John F. Berry; F. Albert Cotton; Sergey A. Ibragimov; Carlos A. Murillo; Xiaoping Wang","Searching for Precursors to Metal-Metal Bonded Dipalladium Species: A Study of Pd24+ Complexes","Inorganic Chemistry","2005","44","","6129","6137","10.1021/ic050876c","","","0.71073","MoKα","","0.0353","0.0337","","","0.089","0.091","","","","","","1.05","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309465","11.6756","0.0017","17.172","0.003","22.102","0.003","93.98","0.003","100.526","0.003","95.357","0.003","4320.8","1.1","27","2","27","2","","","","","","","","4","P -1","-P 1","2","Pd2(tpg)2(m-tpg)2","","","- C106 H94 N12 Pd2 -","- C106 H94 N12 Pd2 -","- C212 H188 N24 Pd4 -","2","1","","John F. Berry; F. Albert Cotton; Sergey A. Ibragimov; Carlos A. Murillo; Xiaoping Wang","Searching for Precursors to Metal-Metal Bonded Dipalladium Species: A Study of Pd24+ Complexes","Inorganic Chemistry","2005","44","","6129","6137","10.1021/ic050876c","","","0.71073","MoKα","","0.1389","0.0762","","","0.1586","0.1875","","","","","","1.048","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309466","11.584","0.006","11.651","0.006","13.222","0.007","105.079","0.009","112.883","0.008","96.779","0.009","1538.5","1.4","213","2","213","2","","","","","","","","4","P -1","-P 1","2","Pd(dpb)2","","","- C38 H30 N4 Pd -","- C38 H30 N4 Pd -","- C76 H60 N8 Pd2 -","2","1","","John F. Berry; F. Albert Cotton; Sergey A. Ibragimov; Carlos A. Murillo; Xiaoping Wang","Searching for Precursors to Metal-Metal Bonded Dipalladium Species: A Study of Pd24+ Complexes","Inorganic Chemistry","2005","44","","6129","6137","10.1021/ic050876c","","","0.71073","MoKα","","0.059","0.0509","","","0.1353","0.1445","","","","","","1.031","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309467","11.527","0.004","22.807","0.007","58.396","0.019","90","","90","","90","","15352","9","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Pd2(DPhBz)3(OAc), 0.67(CH3COCH3)","","","- C61 H52 N6 O2.67 Pd2 -","- C61 H52 N6 O2.66667 Pd2 -","- C732 H624 N72 O32 Pd24 -","12","3","","John F. Berry; F. Albert Cotton; Sergey A. Ibragimov; Carlos A. Murillo; Xiaoping Wang","Searching for Precursors to Metal-Metal Bonded Dipalladium Species: A Study of Pd24+ Complexes","Inorganic Chemistry","2005","44","","6129","6137","10.1021/ic050876c","","","0.71073","MoKα","","0.06","0.0486","","","0.1069","0.1134","","","","","","1.109","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309468","11.0265","0.0012","18.1828","0.0019","10.0621","0.0011","90","","90","","90","","2017.4","0.4","213","2","273","2","","","","","","","","5","P n n 2","P 2 -2n","34","Pd2(omet-dpb)2(OAc)2, 2MeOH","","","- C44 H44 N4 O6 Pd2 -","- C44 H44 N4 O6 Pd2 -","- C88 H88 N8 O12 Pd4 -","2","0.5","","John F. Berry; F. Albert Cotton; Sergey A. Ibragimov; Carlos A. Murillo; Xiaoping Wang","Searching for Precursors to Metal-Metal Bonded Dipalladium Species: A Study of Pd24+ Complexes","Inorganic Chemistry","2005","44","","6129","6137","10.1021/ic050876c","","","0.71073","MoKα","","0.0276","0.0207","","","0.0473","0.0512","","","","","","1.036","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309469","16.144","0.004","8.609","0.002","21.838","0.006","90","","96.127","0.005","90","","3017.8","1.3","173.1","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C23 H47 Cu Mo N2 O2 S3 -","- C23 H47 Cu Mo N2 O2 S3 -","- C92 H188 Cu4 Mo4 N8 O8 S12 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0404","","","","0.0567","","","","","","0.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309470","23.4085","0.0002","23.4085","0.0002","43.2339","0.0006","90","","90","","120","","20516.4","0.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H61 Er N3 O6.5 P6 -","- C72 H60 Er N3 O6.5 P6 -","- C864 H720 Er12 N36 O78 P72 -","12","0.666667","","Andrew P. Bassett; Rik Van Deun; Peter Nockemann; Peter B. Glover; Benson M. Kariuki; Kristof Van Hecke; Luc Van Meervelt; Zoe Pikramenou","Long-Lived Near-Infrared Luminescent Lanthanide Complexes of Imidodiphosphinate ""Shell"" Ligands","Inorganic Chemistry","2005","44","","6140","6142","10.1021/ic0482436","","","1.54178","CuKα","","0.0337","0.0283","","","0.0755","0.08","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309471","11.16","0.003","13.796","0.004","23.585","0.007","89.024","0.014","86.135","0.012","85.359","0.012","3610.8","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H69 N6 Nd O6 P6 -","- C78 H69 N6 Nd O6 P6 -","- C156 H138 N12 Nd2 O12 P12 -","2","1","","Andrew P. Bassett; Rik Van Deun; Peter Nockemann; Peter B. Glover; Benson M. Kariuki; Kristof Van Hecke; Luc Van Meervelt; Zoe Pikramenou","Long-Lived Near-Infrared Luminescent Lanthanide Complexes of Imidodiphosphinate ""Shell"" Ligands","Inorganic Chemistry","2005","44","","6140","6142","10.1021/ic0482436","","","1.54178","CuKα","","0.0985","0.0946","","","0.225","0.2295","","","","","","1.041","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309472","3.5521","0.0002","15.8665","0.0011","12.9977","0.0009","90","","95.285","0.002","90","","729.43","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Copper hydroxide 4-pyridine-carboxylate hydrate","Copper hydroxide 4-pyridine-carboxylate hydrate","","- C6 H7 Cu N O4 -","- C6 H7 Cu N O4 -","- C24 H28 Cu4 N4 O16 -","4","1","","Dat T. Tran; Xiaojuan Fan; Daniel P. Brennan; Peter Y. Zavalij; Scott R. J. Oliver","Open Metal-Organic Framework Containing Cuprate Chains","Inorganic Chemistry","2005","44","","6192","6196","10.1021/ic050024c","","","0.71073","MoKα","","0.0529","0.0405","","","0.0899","0.095","","","","","","0.928","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309473","13.974","0.002","13.993","0.002","13.537","0.002","101.98","0.01","103.22","0.01","113.9","0.01","2217.8","0.6","296.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H72 Cl6 Cu2 F12 N4 P6 -","- C88 H72 Cl6 Cu2 F12 N4 P6 -","- C88 H72 Cl6 Cu2 F12 N4 P6 -","1","0.5","","Taro Tsubomura; Shinya Enoto; Shinya Endo; Tsuyoshi Tamane; Kenji Matsumoto; Toshiaki Tsukuda","Synthesis, Structure, Spectroscopic Properties, and Photochemistry of Homo- and Heteropolynuclear Copper(I) Complexes Bridged by the 2,5-Bis(2-pyridyl)pyrazine Ligand","Inorganic Chemistry","2005","44","","6373","6378","10.1021/ic050098o","","","0.7107","MoKα","","","0.0649","","","","0.1725","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309474","10.4869","0.001","10.4869","0.001","12.084","0.002","90","","90","","90","","1328.9","0.3","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C16 H40 Cu N14 -","- C16 H40 Cu N14 -","- C32 H80 Cu2 N28 -","2","0.125","","Sandip Saha; Subratanath Koner; Jean-Pierre Tuchagues; Athanassios K. Boudalis; Ken-Ichi Okamoto; Surajit Banerjee; Dasarath Mal","Cation-Dependent Nuclearity of the Copper-Azido Moiety: Synthesis, Structure, and Magnetic Study","Inorganic Chemistry","2005","44","","6379","6385","10.1021/ic050117u","","","0.71073","MoKα","","0.0355","0.0343","","0.1102","0.1092","","","","1.207","1.22","1.22","","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309475","10.671","0.009","12.239","0.009","10.591","0.005","110.01","0.04","93.91","0.05","113.28","0.05","1160.3","1.6","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H72 Cu2 N20 -","- C32 H72 Cu2 N20 -","- C32 H72 Cu2 N20 -","1","0.5","","Sandip Saha; Subratanath Koner; Jean-Pierre Tuchagues; Athanassios K. Boudalis; Ken-Ichi Okamoto; Surajit Banerjee; Dasarath Mal","Cation-Dependent Nuclearity of the Copper-Azido Moiety: Synthesis, Structure, and Magnetic Study","Inorganic Chemistry","2005","44","","6379","6385","10.1021/ic050117u","","","0.7107","MoKα","","","0.0629","","","","0.1885","","","","","","1.074","","","","has coordinates","287933","2023-12-01","14:27:53",""
"4309476","8.811","0.0017","37.266","0.003","13.796","0.001","90","","107.05","0.01","90","","4330.8","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Cu3 N26 -","- C24 H56 Cu3 N26 -","- C96 H224 Cu12 N104 -","4","1","","Sandip Saha; Subratanath Koner; Jean-Pierre Tuchagues; Athanassios K. Boudalis; Ken-Ichi Okamoto; Surajit Banerjee; Dasarath Mal","Cation-Dependent Nuclearity of the Copper-Azido Moiety: Synthesis, Structure, and Magnetic Study","Inorganic Chemistry","2005","44","","6379","6385","10.1021/ic050117u","","","0.7093","MoKα","","0.0759","0.0457","","","0.1028","0.1197","","","","","","1.06","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309477","10.8083","0.0007","16.3268","0.0011","16.3863","0.0011","62.82","0.001","87.714","0.002","79.962","0.002","2530.3","0.3","139","2","139","2","","","","","","","","7","P -1","-P 1","2","","[Co(bpy)2(BACat)](BF4)","","- C27 H20 B2 Co F8 N5 O2 -","- C27 H19.375 B Co F4 N4 O3.5 -","- C108 H77.5 B4 Co4 F16 N16 O14 -","4","2","","Yusaku Suenaga; Cortlandt G. Pierpont","Binuclear Complexes of Co(III) Containing Extended Conjugated Bis(Catecholate) Ligands","Inorganic Chemistry","2005","44","","6183","6191","10.1021/ic050250m","","","0.71073","MoKα","","0.2639","0.0726","","","0.1828","0.2505","","","","","","0.921","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309478","4.9024","0.0006","8.7363","0.0012","10.5235","0.0015","104.66","0.003","103.047","0.004","100.868","0.005","410.09","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,3*,4,4*-tetrahydroxy-5,5*-dimethoxybenzaldazine (H4thM)","","- C16 H20 N2 O8 -","- C16 H20 N2 O8 -","- C16 H20 N2 O8 -","1","0.5","","Yusaku Suenaga; Cortlandt G. Pierpont","Binuclear Complexes of Co(III) Containing Extended Conjugated Bis(Catecholate) Ligands","Inorganic Chemistry","2005","44","","6183","6191","10.1021/ic050250m","","","0.71073","MoKα","","0.1102","0.0669","","","0.1664","0.1933","","","","","","0.967","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309479","21.011","0.002","11.265","0.002","15.748","0.003","90","","105.952","0.006","90","","3583.8","1","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Cr K Mn O23 -","- C24 H40 Cr K Mn O23 -","- C96 H160 Cr4 K4 Mn4 O92 -","4","1","","Eugenio Coronado; José R. Galán-Mascarós; Carlos J. Gómez-García; Carlos Martí-Gastaldo","Synthesis, Structure, and Magnetic Properties of the Oxalate-Based Bimetallic Ferromagnetic Chain {[K(18-crown-6)][Mn(H2O)2Cr(ox)3]}∞(18-crown-6 = C12H24O6, ox = C2O42-)","Inorganic Chemistry","2005","44","","6197","6202","10.1021/ic050258w","","","0.71073","MoKα","","0.0964","0.0549","","","0.1174","0.187","","","","","","1.068","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309480","16.3529","0.0008","17.0884","0.0009","17.9759","0.0009","73.45","0.003","76.772","0.003","63.437","0.002","4276.6","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H24 B10 F3 N3 O3.33 Pt S2 -","- C19 H24 B10 F3 N3 O3.33333 Pt S2 -","- C114 H144 B60 F18 N18 O20 Pt6 S12 -","6","3","","Jean A. Todd; Peter Turner; Erin J. Ziolkowski; Louis M. Rendina","(2,2':6',2''-Terpyridine)platinum(II) Complexes Containing (Thioalkyl)dicarba-closo-dodecaborane(12) Ligands","Inorganic Chemistry","2005","44","","6401","6408","10.1021/ic050265k","","","0.71073","MoKα","","0.0702","0.0421","","","0.1083","0.118","","","","","","1.147","","","","has coordinates,has disorder","288183","2023-12-08","14:42:54",""
"4309481","12.534","0.009","16.756","0.011","19.027","0.013","90","","107.66","0.011","90","","3808","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H69 Ir P2 S2 -","- C37 H69 Ir P2 S2 -","- C148 H276 Ir4 P8 S8 -","4","1","","H. V. Nanishankar; Saikat Dutta; Munirathinam Nethaji; Balaji R. Jagirdar","Dynamics of a cis-Dihydrogen/Hydride Complex of Iridium","Inorganic Chemistry","2005","44","","6203","6210","10.1021/ic050266c","","","0.71073","MoKα","","0.024","0.0206","","","0.048","0.0492","","","","","","1.045","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309482","14.486","0.007","14.576","0.007","16.653","0.009","84.049","0.008","67.3","0.007","61.362","0.007","2833","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H85 F3 Ir O4 P2 S3 -","- C52 H69 F3 Ir O4 P2 S3 -","- C104 H138 F6 Ir2 O8 P4 S6 -","2","1","","H. V. Nanishankar; Saikat Dutta; Munirathinam Nethaji; Balaji R. Jagirdar","Dynamics of a cis-Dihydrogen/Hydride Complex of Iridium","Inorganic Chemistry","2005","44","","6203","6210","10.1021/ic050266c","","","0.71073","MoKα","","0.0444","0.0359","","","0.0848","0.0878","","","","","","0.986","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309483","15.80719","0.00008","15.80719","0.00008","15.80719","0.00008","90","","90","","90","","3949.7","0.03","295","","295","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","natrium barium borate","","- B3 Ba4 Na O9 -","- B3 Ba4 Na O9 -","- B48 Ba64 Na16 O144 -","16","0.166667","","Li Wu; Xiao Long Chen; Hui Li; Meng He; Yan Ping Xu; Xi Zhen Li","Structure Determination and Relative Properties of Novel Cubic Borates MM'4(BO3)3 (M = Li, M' = Sr; M = Na, M' = Sr, Ba)","Inorganic Chemistry","2005","44","","6409","6414","10.1021/ic050299s","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.0743","1.7","","","","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309484","14.95066","0.00005","14.95066","0.00005","14.95066","0.00005","90","","90","","90","","3341.8","0.019","295","","295","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","lithium strontium borate","","- B3 Li O9 Sr4 -","- B3 Li O9 Sr4 -","- B48 Li16 O144 Sr64 -","16","0.166667","","Li Wu; Xiao Long Chen; Hui Li; Meng He; Yan Ping Xu; Xi Zhen Li","Structure Determination and Relative Properties of Novel Cubic Borates MM'4(BO3)3 (M = Li, M' = Sr; M = Na, M' = Sr, Ba)","Inorganic Chemistry","2005","44","","6409","6414","10.1021/ic050299s","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.07","2.6","","","","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309485","15.14629","0.00006","15.14629","0.00006","15.14629","0.00006","90","","90","","90","","3474.71","0.02","295","","295","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","natrium strontium borate","","- B3 Na O9 Sr4 -","- B3 Na O9 Sr4 -","- B48 Na16 O144 Sr64 -","16","0.166667","","Li Wu; Xiao Long Chen; Hui Li; Meng He; Yan Ping Xu; Xi Zhen Li","Structure Determination and Relative Properties of Novel Cubic Borates MM'4(BO3)3 (M = Li, M' = Sr; M = Na, M' = Sr, Ba)","Inorganic Chemistry","2005","44","","6409","6414","10.1021/ic050299s","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.0716","3.6","","","","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309486","13.251","0.002","13.426","0.002","13.845","0.002","104.155","0.003","112.198","0.003","107.304","0.003","1992","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","Carbamoylmethylphosphine Oxide","","","- C40 H65 N2 O3 P -","- C40 H65 N2 O3 P -","- C80 H130 N4 O6 P2 -","2","1","","Matthew C. Crowe; Ramesh N. Kapoor; Francisco Cervantes-Lee; Laszlo Párkányí; Louis Schulte; Keith H. Pannell; Jennifer S. Brodbelt","Investigating Bidentate and Tridentate Carbamoylmethylphosphine Oxide Ligand Interactions with Rare-Earth Elements Using Electrospray Ionization Quadrupole Ion Trap Mass Spectrometry","Inorganic Chemistry","2005","44","","6415","6424","10.1021/ic0503028","","","0.71073","MoKα","","0.0864","0.0688","","","0.1433","0.1514","","","","","","1.16","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309487","19.8237","0.0016","20.3413","0.0012","9.0722","0.0006","90","","95.021","0.009","90","","3644.2","0.4","200","3","200","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mg{(CH3)[NH(Si(iPr)3)]} * x THF","","","- C28 H66 Mg2 N2 O2 Si2 -","- C28 H66 Mg2 N2 O2 Si2 -","- C112 H264 Mg8 N8 O8 Si8 -","4","1","","Matthias Westerhausen; Tobias Bollwein; Nikolaos Makropoulos; Holger Piotrowski","Ligand Exchange Reaction Between an Alkylzinc Primary Amide and a Dialkylmagnesium Compound: Crystal Structures of [(thf)MeMg-μ-N(H)SiiPr3]2 and (tmeda)Mg[N(H)SiiPr3]2","Inorganic Chemistry","2005","44","","6439","6444","10.1021/ic0503277","","","0.71073","MoKα","","0.0581","0.0439","","","0.1177","0.1235","","","","","","0.994","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309488","15.93","0.0012","10.2952","0.0006","19.9613","0.0015","90","","102.449","0.009","90","","3196.7","0.4","200","3","200","3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mg-TMEDA-NHSi(iPr)3","","","- C24 H60 Mg N4 Si2 -","- C24 H60 Mg N4 Si2 -","- C96 H240 Mg4 N16 Si8 -","4","0.5","","Matthias Westerhausen; Tobias Bollwein; Nikolaos Makropoulos; Holger Piotrowski","Ligand Exchange Reaction Between an Alkylzinc Primary Amide and a Dialkylmagnesium Compound: Crystal Structures of [(thf)MeMg-μ-N(H)SiiPr3]2 and (tmeda)Mg[N(H)SiiPr3]2","Inorganic Chemistry","2005","44","","6439","6444","10.1021/ic0503277","","","0.71073","MoKα","","0.0638","0.0461","","","0.1207","0.1282","","","","","","1.02","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309489","9.1743","0.0015","11.9053","0.0019","15","0.005","84.56","0.02","88.158","0.018","72.397","0.014","1554.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H17 O10 Os3 P -","- C29 H17 O10 Os3 P -","- C58 H34 O20 Os6 P2 -","2","1","","Te-Wei Chiu; Yen-Hsiang Liu; Kai-Ming Chi; Yuh-Sheng Wen; Kuang-Lieh Lu","Synthesis, Structure, and Transformation of Novel Osmium Azine and Ylide Complexes","Inorganic Chemistry","2005","44","","6425","6430","10.1021/ic050431o","","","0.71073","MoKα","","0.0811","0.0419","","","0.1071","0.1217","","","","","","1.047","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309490","32.606","0.018","13.1568","0.0018","17.719","0.009","90","","121.83","0.03","90","","6458","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H17 N2 O10 Os3 P -","- C29 H17 N2 O10 Os3 P -","- C232 H136 N16 O80 Os24 P8 -","8","1","","Te-Wei Chiu; Yen-Hsiang Liu; Kai-Ming Chi; Yuh-Sheng Wen; Kuang-Lieh Lu","Synthesis, Structure, and Transformation of Novel Osmium Azine and Ylide Complexes","Inorganic Chemistry","2005","44","","6425","6430","10.1021/ic050431o","","","0.71073","MoKα","","0.0735","0.0361","","","0.0764","0.0861","","","","","","1.055","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309491","8.287","0.002","14.998","0.003","18.674","0.004","90.098","0.016","96.73","0.02","98.318","0.018","2280.3","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 O11 Os3 -","- C18 H10 O11 Os3 -","- C72 H40 O44 Os12 -","4","2","","Te-Wei Chiu; Yen-Hsiang Liu; Kai-Ming Chi; Yuh-Sheng Wen; Kuang-Lieh Lu","Synthesis, Structure, and Transformation of Novel Osmium Azine and Ylide Complexes","Inorganic Chemistry","2005","44","","6425","6430","10.1021/ic050431o","","","0.71073","MoKα","","0.0863","0.0551","","","0.15","0.1694","","","","","","1.013","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309492","24.546","0.008","7.363","0.002","14.062","0.004","90","","118.35","0.02","90","","2236.6","1.2","293","2","295.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B H3 K3 O12 P3 -","- B H3 K3 O12 P3 -","- B8 H24 K24 O96 P24 -","8","1","","Bastian Ewald; Yurii Prots; Prashanth Menezes; Srinivasan Natarajan; Hui Zhang; Rüdiger Kniep","Chain Structures in Alkali Borophosphates: Synthesis and Characterization of K~3~[BP~3~O~9~(OH)~3~] and Rb~3~[B~2~P~3~O~11~(OH)~2~]","Inorganic Chemistry","2005","44","","6431","6438","10.1021/ic050441p","","","0.7107","MoKα","","","0.0431","","","","0.082","","","","","","1.397","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309493","7.816","0.002","6.673","0.002","24.248","0.005","90","","92.88","0.01","90","","1263.1","0.6","293","2","295.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B2 H2 O13 P3 Rb3 -","- B2 H2 O13 P3 Rb3 -","- B8 H8 O52 P12 Rb12 -","4","1","","Bastian Ewald; Yurii Prots; Prashanth Menezes; Srinivasan Natarajan; Hui Zhang; Rüdiger Kniep","Chain Structures in Alkali Borophosphates: Synthesis and Characterization of K~3~[BP~3~O~9~(OH)~3~] and Rb~3~[B~2~P~3~O~11~(OH)~2~]","Inorganic Chemistry","2005","44","","6431","6438","10.1021/ic050441p","","","0.7107","MoKα","","","0.029","","","","0.06","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309494","24.8385","0.0004","17.952","0.0004","13.3714","0.0002","90","","89.699","0.002","90","","5962.24","0.19","298.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H51 Cl2 Cr N4 O2 P -","- C66.5 H43 Cl2 Cr N4 O2 P -","- C266 H172 Cl8 Cr4 N16 O8 P4 -","4","1","","Masahiko Inamo; Nao Matsubara; Kiyohiko Nakajima; Tsutomu S. Iwayama; Hiroshi Okimi; Mikio Hoshino","Laser Photolysis Studies of the Reaction of Chromium(III) Octaethylporphyrin Complex with Triphenylphosphine and Triphenylphosphine Oxide","Inorganic Chemistry","2005","44","","6445","6455","10.1021/ic0504487","","","0.7107","MoKα","","","0.0838","","","","0.1174","","","","","","2.841","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309495","8.4735","0.0007","10.8836","0.0009","11.1301","0.0002","64.333","0.019","80.33","0.03","73.76","0.02","886.94","0.19","173","","173","","","","","","","","","4","P -1","-P 1","2","","[Nd(bta)(H2O)2]-4.35(H2O)","","- C12 H21.69 Nd O12.35 -","- C12 H9 Nd O12.345 -","- C24 H18 Nd2 O24.69 -","2","1","","Zheng-Hua Zhang; Taka-aki Okamura; Yasuchika Hasegawa; Hiroyuki Kawaguchi; Ling-Yan Kong; Wei-Yin Sun; Norikazu Ueyama","Syntheses, Structures, and Luminescent and Magnetic Properties of Novel Three-Dimensional Lanthanide Complexes with 1,3,5-Benzenetriacetate","Inorganic Chemistry","2005","44","","6219","6227","10.1021/ic050453a","","","0.7107","MoKα","","0.0492","0.0456","","","0.1227","0.1257","","","","","","1.128","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309496","8.431","0.0011","10.841","0.002","11.114","0.0001","64.43","0.04","80.44","0.06","73.82","0.05","878.8","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","[Sm(bta)(H2O)2]-4.5(H2O)","","- C12 H22 O12.5 Sm -","- C12 H9 O12.5 Sm -","- C24 H18 O25 Sm2 -","2","1","","Zheng-Hua Zhang; Taka-aki Okamura; Yasuchika Hasegawa; Hiroyuki Kawaguchi; Ling-Yan Kong; Wei-Yin Sun; Norikazu Ueyama","Syntheses, Structures, and Luminescent and Magnetic Properties of Novel Three-Dimensional Lanthanide Complexes with 1,3,5-Benzenetriacetate","Inorganic Chemistry","2005","44","","6219","6227","10.1021/ic050453a","","","0.7107","MoKα","","0.1381","0.1189","","","0.2969","0.3095","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309497","7.727","0.002","9.705","0.003","10.58","0.003","106.61","0.03","105.28","0.03","100.69","0.03","703.6","0.4","200","","200","","","","","","","","","4","P -1","-P 1","2","","[Eu(bta)(H2O)]n-1.48n(H2O)","","- C12 H13.96 Eu O8.48 -","- C12 H9 Eu O8.481 -","- C24 H18 Eu2 O16.962 -","2","1","","Zheng-Hua Zhang; Taka-aki Okamura; Yasuchika Hasegawa; Hiroyuki Kawaguchi; Ling-Yan Kong; Wei-Yin Sun; Norikazu Ueyama","Syntheses, Structures, and Luminescent and Magnetic Properties of Novel Three-Dimensional Lanthanide Complexes with 1,3,5-Benzenetriacetate","Inorganic Chemistry","2005","44","","6219","6227","10.1021/ic050453a","","","0.71075","MoKα","","0.0316","0.0261","","","0.0551","0.0558","","","","","","0.972","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309498","7.673","0.003","9.661","0.003","10.533","0.004","106.54","0.03","105.28","0.03","100.62","0.03","693.1","0.5","200","","200","","","","","","","","","4","P -1","-P 1","2","","[Tb(bta)(H2O)]n-1.31n(H2O)","","- C12 H13.31 O8.31 Tb -","- C12 H9 O8.311 Tb -","- C24 H18 O16.622 Tb2 -","2","1","","Zheng-Hua Zhang; Taka-aki Okamura; Yasuchika Hasegawa; Hiroyuki Kawaguchi; Ling-Yan Kong; Wei-Yin Sun; Norikazu Ueyama","Syntheses, Structures, and Luminescent and Magnetic Properties of Novel Three-Dimensional Lanthanide Complexes with 1,3,5-Benzenetriacetate","Inorganic Chemistry","2005","44","","6219","6227","10.1021/ic050453a","","","0.71075","MoKα","","0.0289","0.0245","","","0.0537","0.0542","","","","","","0.98","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309499","6.044","0.006","10.78","0.01","11.486","0.01","68.71","0.07","75.01","0.08","87.61","0.06","672.4","1.2","200","","200","","","","","","","","","4","P -1","-P 1","2","","[Yb(bta)(H2O)]-H2O","","- C12 H13 O8 Yb -","- C12 H9 O8 Yb -","- C24 H18 O16 Yb2 -","2","1","","Zheng-Hua Zhang; Taka-aki Okamura; Yasuchika Hasegawa; Hiroyuki Kawaguchi; Ling-Yan Kong; Wei-Yin Sun; Norikazu Ueyama","Syntheses, Structures, and Luminescent and Magnetic Properties of Novel Three-Dimensional Lanthanide Complexes with 1,3,5-Benzenetriacetate","Inorganic Chemistry","2005","44","","6219","6227","10.1021/ic050453a","","","0.71075","MoKα","","0.0902","0.0826","","","0.2253","0.2364","","","","","","1.016","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309500","8.2044","0.0013","11.7633","0.0017","18.087","0.003","79.757","0.012","88.807","0.013","70.442","0.014","1617.2","0.5","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H34 Mo N6 O5.5 P S -","- C30 H29 Mo N6 O5.5 P S -","- C60 H58 Mo2 N12 O11 P2 S2 -","2","1","","Alexander Schiller; Rosario Scopelliti; Meriem Benmelouka; Kay Severin","Highly Cross-linked Polymers Containing N,N',N''-Chelate Ligands for the Cu(II)-Mediated Hydrolysis of Phosphoesters","Inorganic Chemistry","2005","44","","6482","6492","10.1021/ic0504588","","","0.71073","MoKα","","0.1218","0.0602","","","0.1192","0.1366","","","","","","0.879","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309501","7.9426","0.0014","9.506","0.004","11.93","0.005","89.12","0.04","80.58","0.02","77.85","0.02","868.5","0.5","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N6 P -","- C18 H18 N6 P -","- C36 H36 N12 P2 -","2","1","","Alexander Schiller; Rosario Scopelliti; Meriem Benmelouka; Kay Severin","Highly Cross-linked Polymers Containing N,N',N''-Chelate Ligands for the Cu(II)-Mediated Hydrolysis of Phosphoesters","Inorganic Chemistry","2005","44","","6482","6492","10.1021/ic0504588","","","0.7107","MoKα","","0.0581","0.0497","","","0.1355","0.1492","","","","","","1.097","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309502","14.908","0.005","15.273","0.005","18.302","0.003","90","","90","","90","","4167","2","140","2","140","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C32 H39 Cl2 N12 O10.5 P2 Zn -","- C32 H38 Cl2 N12 O10.5 P2 Zn -","- C128 H152 Cl8 N48 O42 P8 Zn4 -","4","0.5","","Alexander Schiller; Rosario Scopelliti; Meriem Benmelouka; Kay Severin","Highly Cross-linked Polymers Containing N,N',N''-Chelate Ligands for the Cu(II)-Mediated Hydrolysis of Phosphoesters","Inorganic Chemistry","2005","44","","6482","6492","10.1021/ic0504588","","","0.7107","MoKα","","0.078","0.0503","","","0.1319","0.1474","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309503","10.7335","0.0004","16.0022","0.001","13.629","0.0009","90","","94.322","0.005","90","","2334.3","0.2","140","2","140","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 B F4 Mo N6 O2 P -","- C20 H20 B F4 Mo N6 O2 P -","- C80 H80 B4 F16 Mo4 N24 O8 P4 -","4","1","","Alexander Schiller; Rosario Scopelliti; Meriem Benmelouka; Kay Severin","Highly Cross-linked Polymers Containing N,N',N''-Chelate Ligands for the Cu(II)-Mediated Hydrolysis of Phosphoesters","Inorganic Chemistry","2005","44","","6482","6492","10.1021/ic0504588","","","0.71073","MoKα","","0.047","0.0371","","","0.0943","0.0983","","","","","","1.055","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309504","10.263","0.002","12.009","0.002","12.669","0.003","87.16","0.03","70.83","0.03","74.77","0.03","1421.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","trimeric perfluoro-o-phenylene mercury TEMPO adduct","","","- C27 H18 F12 Hg3 N O -","- C27 H18 F12 Hg3 N O -","- C54 H36 F24 Hg6 N2 O2 -","2","1","","Mason R. Haneline; François P. Gabbaï","Coordination of Nitroxide and Nitronyl-nitroxide Organic Radicals to Trimeric Perfluoro-o-phenylene Mercury","Inorganic Chemistry","2005","44","","6248","6255","10.1021/ic050528a","","","0.71073","MoKα","","0.0638","0.0596","","","0.1329","0.135","","","","","","1.066","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309505","17.963","0.004","15.835","0.003","20.652","0.004","90","","115.67","0.03","90","","5295","2","293","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2:1 trimeric perfluoro-o-phenylene mercury:NIT-Ph","","","- C49 H17 F24 Hg6 N2 O2 -","- C49 H17 F24 Hg6 N2 O2 -","- C196 H68 F96 Hg24 N8 O8 -","4","0.5","","Mason R. Haneline; François P. Gabbaï","Coordination of Nitroxide and Nitronyl-nitroxide Organic Radicals to Trimeric Perfluoro-o-phenylene Mercury","Inorganic Chemistry","2005","44","","6248","6255","10.1021/ic050528a","","","0.71073","MoKα","","0.04","0.0272","","","0.0643","0.0897","","","","","","1.095","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309506","11.559","0.003","11.559","0.003","44.627","0.014","90","","90","","120","","5164","2","110","2","110","2","","","","","","","","6","P 61","P 61","169","1:1 trimeric perfluoro-o-phenylene mercury:NIT-Ph","","","- C31 H17 F12 Hg3 N2 O2 -","- C31 H17 F12 Hg3 N2 O2 -","- C186 H102 F72 Hg18 N12 O12 -","6","1","","Mason R. Haneline; François P. Gabbaï","Coordination of Nitroxide and Nitronyl-nitroxide Organic Radicals to Trimeric Perfluoro-o-phenylene Mercury","Inorganic Chemistry","2005","44","","6248","6255","10.1021/ic050528a","","","0.71073","MoKα","","0.0554","0.0478","","","0.1215","0.1389","","","","","","1.089","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309507","16.4017","0.0003","33.846","0.0005","45.234","0.0005","90","","90","","90","","25110.8","0.7","293","2","293","2","","","","","","","","11","P b c n","-P 2n 2ab","60","","","","- C110 H101 Au Cl0.5 Cu8 F3 N0 O4.5 P6 S10 Sb0.5 -","- C110 H91 Au Cl0.5 Cu8 F3 O4.5 P6 S10 Sb0.5 -","- C880 H728 Au8 Cl4 Cu64 F24 O36 P48 S80 Sb4 -","8","1","","Yan-Dan Chen; Li-Yi Zhang; Yong-Hai Qin; Zhong-Ning Chen","Heterovalent AuIII-MI (M = Cu, Ag, Au) Complexes Derived from Incorporation of [Au(tdt)2]- (tdt = Toluene-3,4-dithiolate) with [M2(dppm)2]2+ (dppm = Bis(diphenylphosphino)methane)","Inorganic Chemistry","2005","44","","6456","6462","10.1021/ic050542n","","","0.71073","MoKα","","0.23","0.1219","","","0.2844","0.3796","","","","","","1.219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309508","37.5166","0.0006","24.9903","0.0002","21.4683","0.0004","90","","90.189","0.001","90","","20127.5","0.5","293","2","293","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C79.5 H74 Ag4 Au1.5 Cl2 F3 N0 O1.5 P4.5 S8 -","- C79.5 H67 Ag4 Au1.5 Cl2 F3 O1.5 P4.5 S8 -","- C636 H536 Ag32 Au12 Cl16 F24 O12 P36 S64 -","8","1","","Yan-Dan Chen; Li-Yi Zhang; Yong-Hai Qin; Zhong-Ning Chen","Heterovalent AuIII-MI (M = Cu, Ag, Au) Complexes Derived from Incorporation of [Au(tdt)2]- (tdt = Toluene-3,4-dithiolate) with [M2(dppm)2]2+ (dppm = Bis(diphenylphosphino)methane)","Inorganic Chemistry","2005","44","","6456","6462","10.1021/ic050542n","","","0.71073","MoKα","","0.1739","0.0973","","","0.2234","0.2844","","","","","","1.26","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309509","15.716","0.004","15.77","0.003","26.735","0.007","81.948","0.009","85.843","0.009","64.465","0.005","5919","2","293","2","130.15","","","","","","","","","9","P -1","-P 1","2","","","","- C114 H97 Au5 F18 N0 O0 P8 S4 Sb3 -","- C114 H98 Au5 F18 P8 S4 Sb3 -","- C228 H196 Au10 F36 P16 S8 Sb6 -","2","1","","Yan-Dan Chen; Li-Yi Zhang; Yong-Hai Qin; Zhong-Ning Chen","Heterovalent AuIII-MI (M = Cu, Ag, Au) Complexes Derived from Incorporation of [Au(tdt)2]- (tdt = Toluene-3,4-dithiolate) with [M2(dppm)2]2+ (dppm = Bis(diphenylphosphino)methane)","Inorganic Chemistry","2005","44","","6456","6462","10.1021/ic050542n","","","0.71073","MoKα","","0.0732","0.0585","","","0.1322","0.1423","","","","","","1.095","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309510","21.477","0.002","8.6688","0.0004","22.343","0.002","90","","118.5","","90","","3655.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl O10 Tl -","- C12 H24 Cl O10 Tl -","- C96 H192 Cl8 O80 Tl8 -","8","2","","Anja-Verena Mudring; Franziska Rieger","Lone Pair Effect in Thallium(I) Macrocyclic Compounds","Inorganic Chemistry","2005","44","","6240","6243","10.1021/ic050547k","","","0.71073","MoKα","","0.0399","0.0258","","","0.0505","0.0538","","","","","","1.002","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309511","8.409","0.0007","21.104","0.002","14.6444","0.0013","90","","101.968","0.007","90","","2542.4","0.4","293","2","293","2","","","","","","","as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 I4 O6 Tl2 -","- C12 I4 O6 Tl2 -","- C48 I16 O24 Tl8 -","4","1","","Anja-Verena Mudring; Franziska Rieger","Lone Pair Effect in Thallium(I) Macrocyclic Compounds","Inorganic Chemistry","2005","44","","6240","6243","10.1021/ic050547k","","","0.71073","MoKα","","0.0524","0.0388","","0.1046","0.0922","","","","0.65","0.647","0.647","","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309512","16.4355","0.0006","16.4355","0.0006","13.9077","0.0006","90","","90","","90","","3756.8","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H18 Cu N8 O3 -","- C24 H18 Cu N8 O3 -","- C96 H72 Cu4 N32 O12 -","4","0.5","","Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang; Mark D. Smith; Cheng-Yong Su","Spontaneously Resolved Chiral Three-Fold Interpenetrating Diamondoidlike Cu(II) Coordination Polymers with Temperature-Driven Crystal-to-Crystal Transformation","Inorganic Chemistry","2005","44","","6143","6145","10.1021/ic0505504","","","0.71073","MoKα","","0.0328","0.0291","","","0.0746","0.0755","","","","","","0.971","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309513","13.7327","0.0014","16.4189","0.0016","16.5975","0.0016","90","","90","","90","","3742.3","0.6","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Cl Cu N8 O7 -","- C24 H18 Cl Cu N8 O7 -","- C96 H72 Cl4 Cu4 N32 O28 -","4","1","","Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang; Mark D. Smith; Cheng-Yong Su","Spontaneously Resolved Chiral Three-Fold Interpenetrating Diamondoidlike Cu(II) Coordination Polymers with Temperature-Driven Crystal-to-Crystal Transformation","Inorganic Chemistry","2005","44","","6143","6145","10.1021/ic0505504","","","0.71073","MoKα","","0.0706","0.0633","","","0.1625","0.1683","","","","","","0.992","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309514","16.403","0.002","16.403","0.002","13.905","0.003","90","","90","","90","","3741.3","1","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C24 H22 Cl2 Cu N8 O12 -","- C24 H20 Cl2 Cu N8 O12 -","- C96 H80 Cl8 Cu4 N32 O48 -","4","0.5","","Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang; Mark D. Smith; Cheng-Yong Su","Spontaneously Resolved Chiral Three-Fold Interpenetrating Diamondoidlike Cu(II) Coordination Polymers with Temperature-Driven Crystal-to-Crystal Transformation","Inorganic Chemistry","2005","44","","6143","6145","10.1021/ic0505504","","","0.71073","MoKα","","0.1084","0.071","","","0.1689","0.1871","","","","","","0.979","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309515","4.0763","0.0013","13.864","0.004","10.541","0.003","90","","90","","90","","595.7","0.3","571","2","571","2","","","","","","","","4","C m c m","-C 2c 2","63","pdcd258","potassium Copper thorium trisulfide","","- Cu K S3 Th -","- Cu K S3 Th -","- Cu4 K4 S12 Th4 -","4","0.25","","Hugh D. Selby; Benny C. Chan; Ryan F. Hess; Kent D. Abney; Peter K. Dorhout","Three New Phases in the K/Cu/Th /S System: KCuThS~3~, K~2~Cu~2~ThS~4~, and K~3~Cu~3~Th~2~S~7~","Inorganic Chemistry","2005","44","","6463","6469","10.1021/ic050561x","","","0.71073","MoKα","","0.0374","0.0236","","","0.0455","0.0495","","","","","","1.112","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309516","14.522","0.011","4.026","0.003","7.566","0.006","90","","109.949","0.014","90","","415.8","0.6","571","2","571","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","dipostassium dicopper(I) thorium(IV) tetrasulfide","","- Cu2 K2 S4 Th -","- Cu2 K2 S4 Th -","- Cu4 K4 S8 Th2 -","2","0.25","","Hugh D. Selby; Benny C. Chan; Ryan F. Hess; Kent D. Abney; Peter K. Dorhout","Three New Phases in the K/Cu/Th /S System: KCuThS~3~, K~2~Cu~2~ThS~4~, and K~3~Cu~3~Th~2~S~7~","Inorganic Chemistry","2005","44","","6463","6469","10.1021/ic050561x","","","0.71073","MoKα","","0.0414","0.0337","","","0.0708","0.0724","","","","","","1.008","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309517","4.051","0.002","14.023","0.008","24.633","0.013","90","","90","","90","","1399.3","1.3","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","tripotassium tricopper dithorium heptasulfide","","- Cu3 K3 S7 Th2 -","- Cu3 K3 S7 Th2 -","- Cu12 K12 S28 Th8 -","4","0.5","","Hugh D. Selby; Benny C. Chan; Ryan F. Hess; Kent D. Abney; Peter K. Dorhout","Three New Phases in the K/Cu/Th /S System: KCuThS~3~, K~2~Cu~2~ThS~4~, and K~3~Cu~3~Th~2~S~7~","Inorganic Chemistry","2005","44","","6463","6469","10.1021/ic050561x","","","0.71073","MoKα","","0.1451","0.0785","","","0.1937","0.2169","","","","","","0.832","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309518","7.9608","0.0015","18.256","0.004","16.595","0.003","90","","98.9","0.003","90","","2382.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl Ir N2 -","- C28 H30 Cl Ir N2 -","- C112 H120 Cl4 Ir4 N8 -","4","1","","Alex S. Ionkin; William J. Marshall","Novel η1-N,η2-C,C-Binding Mode between Pyridinyl-Functionalized Cyclopentadienyl Ligands and Iridium","Inorganic Chemistry","2005","44","","6244","6247","10.1021/ic0505854","","","0.71069","MoKα","","0.0359","0.0245","","","0.0568","0.0623","","","","","","1.03","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309519","10.9554","0.0011","17.2237","0.0017","20.213","0.002","90","","96.322","0.002","90","","3790.8","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 F6 Ir N O P2 -","- C42 H38 F6 Ir N O P2 -","- C168 H152 F24 Ir4 N4 O4 P8 -","4","1","","Alex S. Ionkin; William J. Marshall","Novel η1-N,η2-C,C-Binding Mode between Pyridinyl-Functionalized Cyclopentadienyl Ligands and Iridium","Inorganic Chemistry","2005","44","","6244","6247","10.1021/ic0505854","","","0.71069","MoKα","","0.0323","0.023","","","0.0495","0.054","","","","","","1.083","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309520","13.387","0.002","15.805","0.003","35.961","0.006","90","","90","","90","","7609","2","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H37 B2 Cu K N7 O6 -","- C32 H37 B2 Cu K N7 O6 -","- C256 H296 B16 Cu8 K8 N56 O48 -","8","1","","Haijun Yao; Matthew L. Kuhlman; Thomas B. Rauchfuss; Scott R. Wilson","Organo-Tricyanoborates as Tectons: Illustrative Coordination Polymers Based on Copper(I) Derivatives","Inorganic Chemistry","2005","44","","6256","6264","10.1021/ic0506153","","","0.71073","MoKα","","0.0734","0.0398","","","0.0837","0.0934","","","","","","1.021","","","","has coordinates","288260","2023-12-12","16:08:19",""
"4309521","10.442","0.002","15.998","0.004","25.863","0.006","90","","90","","90","","4320.4","1.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Ga N4 -","- C20 H31 Ga N4 -","- C160 H248 Ga8 N32 -","8","1","","Haijun Yao; Matthew L. Kuhlman; Thomas B. Rauchfuss; Scott R. Wilson","Organo-Tricyanoborates as Tectons: Illustrative Coordination Polymers Based on Copper(I) Derivatives","Inorganic Chemistry","2005","44","","6256","6264","10.1021/ic0506153","","","0.71073","MoKα","","0.0488","0.0285","","","0.0779","0.085","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309522","12.874","0.004","7.821","0.003","21.225","0.007","90","","106.493","0.005","90","","2049.2","1.2","193","2","193","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C15 H23 B Cu N5 -","- C14.9996 H22.9994 B Cu N4.9998 -","- C59.9984 H91.9976 B4 Cu4 N19.9992 -","4","0.5","","Haijun Yao; Matthew L. Kuhlman; Thomas B. Rauchfuss; Scott R. Wilson","Organo-Tricyanoborates as Tectons: Illustrative Coordination Polymers Based on Copper(I) Derivatives","Inorganic Chemistry","2005","44","","6256","6264","10.1021/ic0506153","","","0.71073","MoKα","","0.086","0.0492","","","0.0996","0.1095","","","","","","0.969","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4309523","8.464","0.005","7.613","0.005","13.176","0.008","90","","90.482","0.009","90","","849","0.9","193","2","193","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C24 H19 B2 Cu2 N9 -","- C24 H19 B2 Cu2 N8.875 -","- C24 H19 B2 Cu2 N8.875 -","1","0.5","","Haijun Yao; Matthew L. Kuhlman; Thomas B. Rauchfuss; Scott R. Wilson","Organo-Tricyanoborates as Tectons: Illustrative Coordination Polymers Based on Copper(I) Derivatives","Inorganic Chemistry","2005","44","","6256","6264","10.1021/ic0506153","","","0.71073","MoKα","","0.2367","0.0948","","","0.2165","0.2699","","","","","","0.919","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4309524","14.591","0.009","14.19","0.008","21.788","0.012","90","","98.372","0.011","90","","4463","4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H71 B Cu N3 P2 -","- C45 H71 B Cu N3 P2 -","- C180 H284 B4 Cu4 N12 P8 -","4","1","","Haijun Yao; Matthew L. Kuhlman; Thomas B. Rauchfuss; Scott R. Wilson","Organo-Tricyanoborates as Tectons: Illustrative Coordination Polymers Based on Copper(I) Derivatives","Inorganic Chemistry","2005","44","","6256","6264","10.1021/ic0506153","","","0.71073","MoKα","","0.1217","0.0529","","","0.0988","0.1186","","","","","","0.954","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4309525","7.7544","0.0002","16.983","0.0004","9.0732","0.0002","90","","97.998","0.001","90","","1183.25","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Cu3 N10 O6 -","- C17 H22 Cu3 N10 O6 -","- C34 H44 Cu6 N20 O12 -","2","1","","Maurizio Casarin; Carlo Corvaja; Corrado Di Nicola; Daniele Falcomer; Lorenzo Franco; Magda Monari; Luciano Pandolfo; Claudio Pettinari; Fabio Piccinelli","One-Dimensional and Two-Dimensional Coordination Polymers from Self-Assembling of Trinuclear Triangular Cu(II) Secondary Building Units","Inorganic Chemistry","2005","44","","6265","6276","10.1021/ic050678l","","","0.71073","MoKα","","0.0363","0.0321","","","0.074","0.0758","","","","","","0.985","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309526","10.3056","0.0004","10.7908","0.0004","11.2778","0.0004","99.1881","0.0009","114.487","0.0008","90.8244","0.0009","1122.17","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H26 Cu3 N6 O6 -","- C17 H26 Cu3 N6 O6 -","- C34 H52 Cu6 N12 O12 -","2","1","","Maurizio Casarin; Carlo Corvaja; Corrado Di Nicola; Daniele Falcomer; Lorenzo Franco; Magda Monari; Luciano Pandolfo; Claudio Pettinari; Fabio Piccinelli","One-Dimensional and Two-Dimensional Coordination Polymers from Self-Assembling of Trinuclear Triangular Cu(II) Secondary Building Units","Inorganic Chemistry","2005","44","","6265","6276","10.1021/ic050678l","","","0.71069","MoKα","","0.0332","0.0287","","","0.0748","0.0771","","","","","","1.026","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309527","10.3803","0.001","11.4712","0.0011","11.9532","0.0012","98.536","0.003","113.362","0.002","99.324","0.003","1253.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Cu3 N6 O7 -","- C18 H30 Cu3 N6 O7 -","- C36 H60 Cu6 N12 O14 -","2","1","","Maurizio Casarin; Carlo Corvaja; Corrado Di Nicola; Daniele Falcomer; Lorenzo Franco; Magda Monari; Luciano Pandolfo; Claudio Pettinari; Fabio Piccinelli","One-Dimensional and Two-Dimensional Coordination Polymers from Self-Assembling of Trinuclear Triangular Cu(II) Secondary Building Units","Inorganic Chemistry","2005","44","","6265","6276","10.1021/ic050678l","","","0.71073","MoKα","","0.0825","0.0548","","","0.1339","0.1496","","","","","","0.985","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309528","7.0192","0.0005","16.7279","0.0011","40.818","0.003","90","","92.187","0.001","90","","4789.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","EISSC02","","","- C47 H40 F12 N6 O4 P2 Pt -","- C47 H40 F12 N6 O4 P2 Pt -","- C188 H160 F48 N24 O16 P8 Pt4 -","4","1","","Soma Chakraborty; Thaddeus J. Wadas; Heidi Hester; Christine Flaschenreim; Russell Schmehl; Richard Eisenberg","Synthesis, Structure, Characterization, and Photophysical Studies of a New Platinum Terpyridyl-Based Triad with Covalently Linked Donor and Acceptor Groups","Inorganic Chemistry","2005","44","","6284","6293","10.1021/ic050688m","","","0.71073","MoKα","","0.0548","0.0487","","","0.1137","0.1165","","","","","","1.109","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309529","14.055","0.004","20.27","0.005","15.082","0.004","90","","101.748","0.005","90","","4206.8","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cd N12 O6 -","- C42 H34 Cd N12 O8 -","- C168 H136 Cd4 N48 O32 -","4","1","","Brandon L. Dietrich; Jonathan Egbert; Aimee M. Morris; Mark Wicholas; Oren P. Anderson; Susie M. Miller","Cd(II), Zn(II), and Pd(II) Complexes of an Isoindoline Pincer Ligand: Consequences of Steric Crowding","Inorganic Chemistry","2005","44","","6476","6481","10.1021/ic0506916","","","0.71073","MoKα","","0.0517","0.0425","","","0.1061","0.1122","","","","","","0.984","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4309530","13.969","0.002","12.547","0.002","15.301","0.003","90","","116.096","0.003","90","","2408.4","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N6 O2 Zn -","- C28 H20 N6 O2 Zn -","- C112 H80 N24 O8 Zn4 -","4","1","","Brandon L. Dietrich; Jonathan Egbert; Aimee M. Morris; Mark Wicholas; Oren P. Anderson; Susie M. Miller","Cd(II), Zn(II), and Pd(II) Complexes of an Isoindoline Pincer Ligand: Consequences of Steric Crowding","Inorganic Chemistry","2005","44","","6476","6481","10.1021/ic0506916","","","0.71073","MoKα","","0.0516","0.044","","","0.1066","0.1123","","","","","","0.936","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309531","7.4036","0.0008","11.0386","0.0011","14.139","0.0015","73.811","0.002","79.324","0.002","79.795","0.002","1080.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N5 O Pd -","- C24 H24 Cl N5 O Pd -","- C48 H48 Cl2 N10 O2 Pd2 -","2","1","","Brandon L. Dietrich; Jonathan Egbert; Aimee M. Morris; Mark Wicholas; Oren P. Anderson; Susie M. Miller","Cd(II), Zn(II), and Pd(II) Complexes of an Isoindoline Pincer Ligand: Consequences of Steric Crowding","Inorganic Chemistry","2005","44","","6476","6481","10.1021/ic0506916","","","0.71073","MoKα","","0.047","0.0419","","","0.108","0.1113","","","","","","1.079","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309532","12.5167","0.0008","14.8098","0.0009","15.1124","0.0009","62.845","0.001","66.846","0.001","65.94","0.001","2200.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 Co2 N8 O9 -","- C48 H46 Co2 N8 O9 -","- C96 H92 Co4 N16 O18 -","2","1","","Subramanya Gupta Sreerama; Samudranil Pal","Dinuclear Triple Helicates with Diazine Ligands: X-ray Structural, Electrochemical, and Magnetic Studies","Inorganic Chemistry","2005","44","","6299","6307","10.1021/ic050704f","","","0.71073","MoKα","","0.1025","0.051","","","0.1029","0.1162","","","","","","0.867","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309533","14.282","0.002","14.282","0.003","37.451","0.006","90","","90","","120","","6616","2","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H46 Co2 N6 O8 -","- C48 H42 Co2 N6 O8 -","- C288 H252 Co12 N36 O48 -","6","0.333333","","Subramanya Gupta Sreerama; Samudranil Pal","Dinuclear Triple Helicates with Diazine Ligands: X-ray Structural, Electrochemical, and Magnetic Studies","Inorganic Chemistry","2005","44","","6299","6307","10.1021/ic050704f","","","0.71073","MoKα","","0.2113","0.084","","","0.1834","0.2415","","","","","","0.981","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309534","11.931","0.003","13.555","0.004","15.319","0.004","82.267","0.005","88.161","0.004","76.548","0.004","2387.6","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Cl4 Fe2 N6 O6 -","- C50 H46 Cl4 Fe2 N6 O6 -","- C100 H92 Cl8 Fe4 N12 O12 -","2","1","","Subramanya Gupta Sreerama; Samudranil Pal","Dinuclear Triple Helicates with Diazine Ligands: X-ray Structural, Electrochemical, and Magnetic Studies","Inorganic Chemistry","2005","44","","6299","6307","10.1021/ic050704f","","","0.71073","MoKα","","0.1617","0.0786","","","0.1454","0.1743","","","","","","0.99","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309535","9.463","0.0005","22.3836","0.0012","16.7534","0.0008","90","","91.899","0.002","90","","3546.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 F8 N6 O6 U2 Zn2 -","- C30 H28 F8 N6 O6 U2 Zn2 -","- C120 H112 F32 N24 O24 U8 Zn8 -","4","1","","Chih-Min Wang; Chia-Hsien Liao; Hsien-Ming Kao; Kwang-Hwa Lii","Hydrothermal Synthesis and Characterization of [(UO2)2F8(H2O)2Zn2(4,4'-bpy)2].(4,4'-bpy), a Mixed-Metal Uranyl Aquofluoride with a Pillared Layer Structure","Inorganic Chemistry","2005","44","","6294","6298","10.1021/ic0507060","","","0.71073","MoKα","","0.0368","0.0192","","","0.0324","0.0336","","","","","","0.841","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309536","19.94","0.01","13.286","0.006","17.739","0.006","90","","90.862","0.016","90","","4699","4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Co2 O16 P4 -","- C32 H72 Co2 O16 P4 -","- C128 H288 Co8 O64 P16 -","4","1","","Ramasamy Pothiraja; Malaichamy Sathiyendiran; Ray J. Butcher; Ramaswamy Murugavel","Non-Interpenetrating Transition Metal Diorganophosphate 2-Dimensional Rectangular Grids from Their 1-Dimensional Wires: Structural Transformations under Mild Conditions","Inorganic Chemistry","2005","44","","6314","6323","10.1021/ic050742z","","","0.71073","MoKα","","0.0899","0.0473","","","0.0992","0.1129","","","","","","0.999","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309537","15.9627","0.0014","11.7157","0.0012","23.502","0.002","90","","92.783","0.008","90","","4390","0.7","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Mn(dtbp)2(44'-bpy)(H2O)2","","","- C36 H56 Mn N4 O10 P2 -","- C36 H56 Mn N4 O10 P2 -","- C144 H224 Mn4 N16 O40 P8 -","4","1","","Ramasamy Pothiraja; Malaichamy Sathiyendiran; Ray J. Butcher; Ramaswamy Murugavel","Non-Interpenetrating Transition Metal Diorganophosphate 2-Dimensional Rectangular Grids from Their 1-Dimensional Wires: Structural Transformations under Mild Conditions","Inorganic Chemistry","2005","44","","6314","6323","10.1021/ic050742z","","","0.71073","MoKα","","0.0686","0.0455","","","0.1301","0.1369","","","","","","1.098","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309538","15.846","0.003","11.452","0.002","23.008","0.005","90","","92.77","0.03","90","","4170.3","1.4","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H56 Co N4 O10 P2 -","- C36 H56 Co N4 O10 P2 -","- C144 H224 Co4 N16 O40 P8 -","4","1","","Ramasamy Pothiraja; Malaichamy Sathiyendiran; Ray J. Butcher; Ramaswamy Murugavel","Non-Interpenetrating Transition Metal Diorganophosphate 2-Dimensional Rectangular Grids from Their 1-Dimensional Wires: Structural Transformations under Mild Conditions","Inorganic Chemistry","2005","44","","6314","6323","10.1021/ic050742z","","","0.71073","MoKα","","0.1512","0.0954","","","0.2337","0.2597","","","","","","1.022","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309539","50.0409","0.001","11.792","0.0003","23.5506","0.0005","90","","106.073","0.003","90","","13353.6","0.6","153","2","253","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Cd N4 O10 P2 -","- C36 H38 Cd N4 O10 P2 -","- C432 H456 Cd12 N48 O120 P24 -","12","1.5","","Ramasamy Pothiraja; Malaichamy Sathiyendiran; Ray J. Butcher; Ramaswamy Murugavel","Non-Interpenetrating Transition Metal Diorganophosphate 2-Dimensional Rectangular Grids from Their 1-Dimensional Wires: Structural Transformations under Mild Conditions","Inorganic Chemistry","2005","44","","6314","6323","10.1021/ic050742z","","","0.71073","MoKα","","0.1022","0.0497","","","0.1261","0.1456","","","","","","0.92","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309540","4.674","0.0001","18.036","0.008","8.161","0.002","90","","98.55","0.02","90","","680.3","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N2 O8 P2 -","- C10 H14 N2 O8 P2 -","- C20 H28 N4 O16 P4 -","2","0.5","","Ramasamy Pothiraja; Malaichamy Sathiyendiran; Ray J. Butcher; Ramaswamy Murugavel","Non-Interpenetrating Transition Metal Diorganophosphate 2-Dimensional Rectangular Grids from Their 1-Dimensional Wires: Structural Transformations under Mild Conditions","Inorganic Chemistry","2005","44","","6314","6323","10.1021/ic050742z","","","0.71073","MoKα","","0.0283","0.0258","","","0.0656","0.0671","","","","","","1.089","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309541","25.4765","0.0014","20.933","0.0011","31.2061","0.0017","90","","90","","90","","16642.2","1.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C150 H174 Cl8 Mn12 N2 O50 -","- C146 H158 Mn12 N2 O50 -","- C584 H632 Mn48 N8 O200 -","4","0.5","","Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","[Mn12O12(OMe)2(O2CPh)16(H2O)2]2- Single-Molecule Magnets and Other Manganese Compounds from a Reductive Aggregation Procedure","Inorganic Chemistry","2005","44","","6324","6338","10.1021/ic050868w","","","0.71073","MoKα","","0.1254","0.0642","","","0.1585","0.1819","","","","","","0.921","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309542","16.3566","0.001","17.48","0.002","17.6166","0.0011","105.982","0.002","111.329","0.002","108.68","0.002","3982.5","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C147 H168 Cl2 Mn12 N2 O50 -","- C114.804 H88 Cl2 Mn12 O49.196 -","- C114.804 H88 Cl2 Mn12 O49.196 -","1","0.5","","Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","[Mn12O12(OMe)2(O2CPh)16(H2O)2]2- Single-Molecule Magnets and Other Manganese Compounds from a Reductive Aggregation Procedure","Inorganic Chemistry","2005","44","","6324","6338","10.1021/ic050868w","","","0.71073","MoKα","","0.1283","0.0696","","","0.1731","0.1951","","","","","","0.933","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309543","6.7757","0.0009","10.0737","0.0013","11.3144","0.0014","89.49","0.002","79.478","0.002","86.15","0.002","757.58","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Mn O5 -","- C15 H13 Mn O5 -","- C30 H26 Mn2 O10 -","2","1","","Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","[Mn12O12(OMe)2(O2CPh)16(H2O)2]2- Single-Molecule Magnets and Other Manganese Compounds from a Reductive Aggregation Procedure","Inorganic Chemistry","2005","44","","6324","6338","10.1021/ic050868w","","","0.71073","MoKα","","0.109","0.0545","","","0.1085","0.1297","","","","","","0.991","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309544","11.1439","0.0009","11.8189","0.0009","12.4652","0.001","100.433","0.002","94.589","0.002","98.936","0.002","1585.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H64 Mn4 O24 -","- C62 H64 Mn4 O24 -","- C62 H64 Mn4 O24 -","1","0.5","","Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","[Mn12O12(OMe)2(O2CPh)16(H2O)2]2- Single-Molecule Magnets and Other Manganese Compounds from a Reductive Aggregation Procedure","Inorganic Chemistry","2005","44","","6324","6338","10.1021/ic050868w","","","0.71073","MoKα","","0.0535","0.0488","","","0.1098","0.1117","","","","","","1.255","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309545","20.4122","0.0012","21.4515","0.0013","35.657","0.002","90","","94.933","0.002","90","","15555.4","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H134 Cl12 Mn12 N O47 -","- C128 H122 Mn12 N O47 -","- C512 H488 Mn48 N4 O188 -","4","1","","Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","[Mn12O12(OMe)2(O2CPh)16(H2O)2]2- Single-Molecule Magnets and Other Manganese Compounds from a Reductive Aggregation Procedure","Inorganic Chemistry","2005","44","","6324","6338","10.1021/ic050868w","","","0.71073","MoKα","","0.1197","0.0554","","","0.1044","0.1169","","","","","","0.895","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309546","9.5962","0.0005","12.6495","0.0007","14.5038","0.0008","104.342","0.001","90.559","0.001","105.38","0.001","1639.25","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 O8 Re2 Sn2 -","- C32 H20 O8 Re2 Sn2 -","- C64 H40 O16 Re4 Sn4 -","2","1","","Richard D. Adams; Burjor Captain; Rolfe H. Herber; Mikael Johansson; Israel Nowik; Jack L. Smith; Mark D. Smith","Addition of Palladium and Platinum Tri-tert-Butylphosphine Groups to Re-Sn and Re-Ge Bonds","Inorganic Chemistry","2005","44","","6346","6358","10.1021/ic051077x","","","0.71073","MoKα","","0.0491","0.0389","","","0.0956","0.103","","","","","","1.019","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309547","10.8119","0.0007","12.4429","0.0008","12.9946","0.0008","80.117","0.001","68.988","0.001","71.927","0.001","1547.82","0.17","293","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H74 O8 P2 Pd2 Re2 Sn2 -","- C56 H74 O8 P2 Pd2 Re2 Sn2 -","- C56 H74 O8 P2 Pd2 Re2 Sn2 -","1","0.5","","Richard D. Adams; Burjor Captain; Rolfe H. Herber; Mikael Johansson; Israel Nowik; Jack L. Smith; Mark D. Smith","Addition of Palladium and Platinum Tri-tert-Butylphosphine Groups to Re-Sn and Re-Ge Bonds","Inorganic Chemistry","2005","44","","6346","6358","10.1021/ic051077x","","","0.71073","MoKα","","0.042","0.0365","","","0.0887","0.0913","","","","","","1.042","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309548","12.4615","0.0008","10.7519","0.0007","23.8216","0.0015","90","","100.837","0.001","90","","3134.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 O8 Re2 Sn2 -","- C32 H20 O8 Re2 Sn2 -","- C128 H80 O32 Re8 Sn8 -","4","0.5","","Richard D. Adams; Burjor Captain; Rolfe H. Herber; Mikael Johansson; Israel Nowik; Jack L. Smith; Mark D. Smith","Addition of Palladium and Platinum Tri-tert-Butylphosphine Groups to Re-Sn and Re-Ge Bonds","Inorganic Chemistry","2005","44","","6346","6358","10.1021/ic051077x","","","0.71073","MoKα","","0.0204","0.0192","","","0.0498","0.0503","","","","","","1.214","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309549","12.7904","0.0006","10.8809","0.0005","24.0014","0.0012","90","","102.283","0.001","90","","3263.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 O8 Re2 Sn2 -","- C32 H20 O8 Re2 Sn2 -","- C128 H80 O32 Re8 Sn8 -","4","0.5","","Richard D. Adams; Burjor Captain; Rolfe H. Herber; Mikael Johansson; Israel Nowik; Jack L. Smith; Mark D. Smith","Addition of Palladium and Platinum Tri-tert-Butylphosphine Groups to Re-Sn and Re-Ge Bonds","Inorganic Chemistry","2005","44","","6346","6358","10.1021/ic051077x","","","0.71073","MoKα","","0.0248","0.0211","","","0.0536","0.0551","","","","","","1.068","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309550","14.0667","0.0011","10.6056","0.0008","12.097","0.001","90","","117.384","0.001","90","","1602.5","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C32 H20 Ge2 O8 Re2 -","- C32 H20 Ge2 O8 Re2 -","- C64 H40 Ge4 O16 Re4 -","2","0.25","","Richard D. Adams; Burjor Captain; Rolfe H. Herber; Mikael Johansson; Israel Nowik; Jack L. Smith; Mark D. Smith","Addition of Palladium and Platinum Tri-tert-Butylphosphine Groups to Re-Sn and Re-Ge Bonds","Inorganic Chemistry","2005","44","","6346","6358","10.1021/ic051077x","","","0.71073","MoKα","","0.028","0.0254","","","0.0593","0.0604","","","","","","1.152","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309551","11.5715","0.0005","23.1038","0.001","17.8097","0.0007","90","","102.155","0.001","90","","4654.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 O8 P Pt Re2 Sn2 -","- C44 H47 O8 P Pt Re2 Sn2 -","- C176 H188 O32 P4 Pt4 Re8 Sn8 -","4","1","","Richard D. Adams; Burjor Captain; Rolfe H. Herber; Mikael Johansson; Israel Nowik; Jack L. Smith; Mark D. Smith","Addition of Palladium and Platinum Tri-tert-Butylphosphine Groups to Re-Sn and Re-Ge Bonds","Inorganic Chemistry","2005","44","","6346","6358","10.1021/ic051077x","","","0.71073","MoKα","","0.0576","0.0381","","","0.0745","0.0828","","","","","","1.016","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309552","14.0204","0.0007","14.6505","0.0007","17.9884","0.0009","90","","108.718","0.001","90","","3499.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H86 O8 P2 Pt2 Re2 Sn2 -","- C68 H86 O8 P2 Pt2 Re2 Sn2 -","- C136 H172 O16 P4 Pt4 Re4 Sn4 -","2","0.5","","Richard D. Adams; Burjor Captain; Rolfe H. Herber; Mikael Johansson; Israel Nowik; Jack L. Smith; Mark D. Smith","Addition of Palladium and Platinum Tri-tert-Butylphosphine Groups to Re-Sn and Re-Ge Bonds","Inorganic Chemistry","2005","44","","6346","6358","10.1021/ic051077x","","","0.71073","MoKα","","0.0281","0.0229","","","0.0571","0.0603","","","","","","1.048","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309553","11.7436","0.0004","14.572","0.0005","14.9178","0.0006","105.046","0.001","109.342","0.001","94.871","0.001","2284.91","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H47 Ge2 O8 P Pt Re2 -","- C44 H47 Ge2 O8 P Pt Re2 -","- C88 H94 Ge4 O16 P2 Pt2 Re4 -","2","1","","Richard D. Adams; Burjor Captain; Rolfe H. Herber; Mikael Johansson; Israel Nowik; Jack L. Smith; Mark D. Smith","Addition of Palladium and Platinum Tri-tert-Butylphosphine Groups to Re-Sn and Re-Ge Bonds","Inorganic Chemistry","2005","44","","6346","6358","10.1021/ic051077x","","","0.71073","MoKα","","0.041","0.0321","","","0.0694","0.0728","","","","","","1.027","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309554","9.74","0.002","6.644","0.002","5.334","0.001","90","","90.58","0.02","90","","345.16","0.14","183.2","","183.2","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- F6 N S2 Sb -","- F6 N0.5 S2 Sb0.5 -","- F12 N S4 Sb -","2","0.25","","T. Stanley Cameron; Aaron Mailman; Jack Passmore; Konstantin V. Shuvaev","Convenient Preparation and Full Characterization of a Synthetically Useful Salt of the Dithianitronium Cation, SNSSbF6, from Readily Available Starting Materials","Inorganic Chemistry","2005","44","","6524","6528","10.1021/ic0483139","","","0.7107","MoKα","","0.0198","0.019","","0.019","","0.048","","","1.93","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309555","17.017","0.003","11.686","0.0008","18.6414","0.0014","90","","90","","90","","3707","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 O9 Ru -","- C18 H15 O9 Ru -","- C144 H120 O72 Ru8 -","8","1","","David C. Kennedy; Adam Wu; Brian O. Patrick; Brian R. James","Tris(pyronato)- and Tris(pyridonato)-ruthenium(III) Complexes and Solution NMR Studies","Inorganic Chemistry","2005","44","","6529","6535","10.1021/ic050034d","","","0.71069","MoKα","","0.0945","0.045","","","0.106","0.1201","","","","","","0.82","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309556","12.8406","0.0002","13.0298","0.0002","17.0583","0.0002","89.3523","0.0008","69.6674","0.0009","79.1592","0.0008","2623.91","0.07","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H42 Cl4 Fe N2 O2 P2 S4 -","- C52 H42 Cl4 Fe N2 O2 P2 S4 -","- C104 H84 Cl8 Fe2 N4 O4 P4 S8 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Hao-Wen Chen; Jo-Lu Hsu; Gene-Hsiang Lee; Wen-Feng Liaw","Nitrosylated Iron-Thiolate-Sulfinate Complexes with {Fe(NO)}6/7 Electronic Cores: Relevance to the Transformation between the Active and Inactive NO-Bound Forms of Iron-Containing Nitrile Hydratases","Inorganic Chemistry","2005","44","","6670","6679","10.1021/ic050108l","","","0.71073","MoKα","","0.0961","0.0541","","","0.1497","0.1843","","","","","","1.034","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309557","14.735","0.0003","11.9001","0.0002","26.7468","0.0005","90","","102.679","0.001","90","","4575.64","0.15","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Fe N2 O3 P2 S4 -","- C50 H42 Fe N2 O3 P2 S4 -","- C200 H168 Fe4 N8 O12 P8 S16 -","4","1","","Chien-Ming Lee; Chien-Hong Chen; Hao-Wen Chen; Jo-Lu Hsu; Gene-Hsiang Lee; Wen-Feng Liaw","Nitrosylated Iron-Thiolate-Sulfinate Complexes with {Fe(NO)}6/7 Electronic Cores: Relevance to the Transformation between the Active and Inactive NO-Bound Forms of Iron-Containing Nitrile Hydratases","Inorganic Chemistry","2005","44","","6670","6679","10.1021/ic050108l","","","0.71073","MoKα","","0.144","0.081","","","0.2041","0.233","","","","","","1.07","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309558","10.6561","0.0005","16.9552","0.0007","17.4344","0.0008","108.809","0.001","106.494","0.001","100.559","0.001","2724.9","0.2","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C108 H86 Cl8 Fe2 N10 O6 P4 S8 -","- C108 H86 Cl8 Fe2 N10 O6 P4 S8 -","- C108 H86 Cl8 Fe2 N10 O6 P4 S8 -","1","0.5","","Chien-Ming Lee; Chien-Hong Chen; Hao-Wen Chen; Jo-Lu Hsu; Gene-Hsiang Lee; Wen-Feng Liaw","Nitrosylated Iron-Thiolate-Sulfinate Complexes with {Fe(NO)}6/7 Electronic Cores: Relevance to the Transformation between the Active and Inactive NO-Bound Forms of Iron-Containing Nitrile Hydratases","Inorganic Chemistry","2005","44","","6670","6679","10.1021/ic050108l","","","0.71073","MoKα","","0.0745","0.0502","","","0.1178","0.1387","","","","","","1.056","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309559","11.4343","0.0002","12.9804","0.0002","13.789","0.0002","71.1592","0.0007","68.2465","0.0008","85.3665","0.0008","1797.23","0.05","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H68 Fe N3 O3 P4 S4 -","- C84 H68 Fe N3 O3 P4 S4 -","- C84 H68 Fe N3 O3 P4 S4 -","1","0.5","","Chien-Ming Lee; Chien-Hong Chen; Hao-Wen Chen; Jo-Lu Hsu; Gene-Hsiang Lee; Wen-Feng Liaw","Nitrosylated Iron-Thiolate-Sulfinate Complexes with {Fe(NO)}6/7 Electronic Cores: Relevance to the Transformation between the Active and Inactive NO-Bound Forms of Iron-Containing Nitrile Hydratases","Inorganic Chemistry","2005","44","","6670","6679","10.1021/ic050108l","","","0.71073","MoKα","","0.0857","0.0744","","","0.1689","0.1732","","","","","","1.299","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309560","11.1789","0.0004","14.9918","0.0005","22.354","0.0008","93.472","0.001","101.722","0.001","91.693","0.001","3658.1","0.2","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C86 H72 Fe N3 O3 P4 S4 -","- C86 H72 Fe N3 O3 P4 S4 -","- C172 H144 Fe2 N6 O6 P8 S8 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Hao-Wen Chen; Jo-Lu Hsu; Gene-Hsiang Lee; Wen-Feng Liaw","Nitrosylated Iron-Thiolate-Sulfinate Complexes with {Fe(NO)}6/7 Electronic Cores: Relevance to the Transformation between the Active and Inactive NO-Bound Forms of Iron-Containing Nitrile Hydratases","Inorganic Chemistry","2005","44","","6670","6679","10.1021/ic050108l","","","0.71073","MoKα","","0.1668","0.0757","","","0.1627","0.2085","","","","","","0.991","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309561","25.9866","0.0003","18.5541","0.0002","18.0985","0.0002","90","","102.173","0.0004","90","","8530.14","0.16","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C88 H72 Cl4 Fe N5 O4 P4 S4 -","- C88 H72 Cl4 Fe N5 O4 P4 S4 -","- C352 H288 Cl16 Fe4 N20 O16 P16 S16 -","4","1","","Chien-Ming Lee; Chien-Hong Chen; Hao-Wen Chen; Jo-Lu Hsu; Gene-Hsiang Lee; Wen-Feng Liaw","Nitrosylated Iron-Thiolate-Sulfinate Complexes with {Fe(NO)}6/7 Electronic Cores: Relevance to the Transformation between the Active and Inactive NO-Bound Forms of Iron-Containing Nitrile Hydratases","Inorganic Chemistry","2005","44","","6670","6679","10.1021/ic050108l","","","0.71073","MoKα","","0.1836","0.1187","","","0.3069","0.3581","","","","","","1.133","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309562","12.1268","0.0001","12.3848","0.0001","13.4054","0.0002","93.0356","0.0005","91.4618","0.0005","115.283","0.0005","1815.33","0.04","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C86 H71 Fe N4 O P4 S4 -","- C86 H71 Fe N4 O P4 S4 -","- C86 H71 Fe N4 O P4 S4 -","1","0.5","","Chien-Ming Lee; Chien-Hong Chen; Hao-Wen Chen; Jo-Lu Hsu; Gene-Hsiang Lee; Wen-Feng Liaw","Nitrosylated Iron-Thiolate-Sulfinate Complexes with {Fe(NO)}6/7 Electronic Cores: Relevance to the Transformation between the Active and Inactive NO-Bound Forms of Iron-Containing Nitrile Hydratases","Inorganic Chemistry","2005","44","","6670","6679","10.1021/ic050108l","","","0.71073","MoKα","","0.0856","0.058","","","0.1578","0.1768","","","","","","1.095","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309563","9.8468","0.0001","13.6419","0.0001","21.3562","0.0002","100.558","0.0004","98.2603","0.0005","90.6909","0.0004","2788.76","0.04","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H65 Fe N4 O P2 S4 -","- C60 H65 Fe N4 O P2 S4 -","- C120 H130 Fe2 N8 O2 P4 S8 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Hao-Wen Chen; Jo-Lu Hsu; Gene-Hsiang Lee; Wen-Feng Liaw","Nitrosylated Iron-Thiolate-Sulfinate Complexes with {Fe(NO)}6/7 Electronic Cores: Relevance to the Transformation between the Active and Inactive NO-Bound Forms of Iron-Containing Nitrile Hydratases","Inorganic Chemistry","2005","44","","6670","6679","10.1021/ic050108l","","","0.71073","MoKα","","0.1175","0.0615","","","0.1481","0.1912","","","","","","1.126","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309564","9.5562","0.0001","16.7249","0.0002","19.2269","0.0003","90","","90","","90","","3072.97","0.07","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl4 Fe N4 O S4 -","- C22 H31 Cl4 Fe N4 O S4 -","- C88 H124 Cl16 Fe4 N16 O4 S16 -","4","1","","Chien-Ming Lee; Chien-Hong Chen; Hao-Wen Chen; Jo-Lu Hsu; Gene-Hsiang Lee; Wen-Feng Liaw","Nitrosylated Iron-Thiolate-Sulfinate Complexes with {Fe(NO)}6/7 Electronic Cores: Relevance to the Transformation between the Active and Inactive NO-Bound Forms of Iron-Containing Nitrile Hydratases","Inorganic Chemistry","2005","44","","6670","6679","10.1021/ic050108l","","","0.71073","MoKα","","0.0968","0.0574","","","0.1276","0.1537","","","","","","1.024","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309565","18.936","0.004","8.028","0.002","19.18","0.004","90","","91.64","0.03","90","","2914.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","mer-trichlorotripyrazoloruthenium(III)","","- C9 H12 Cl3 N6 Ru -","- C9 H12 Cl3 N6 Ru -","- C72 H96 Cl24 N48 Ru8 -","8","2","","Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler","Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes","Inorganic Chemistry","2005","44","","6704","6716","10.1021/ic0503737","","","0.71073","MoKα","","0.0578","0.0314","","","0.0622","0.0697","","","","","","1.069","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309566","15.748","0.003","13.699","0.003","16.564","0.003","90","","93.66","0.03","90","","3566.1","1.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mer-trichlorotripyrazoloruthenium(III)","","- C33 H38 Cl3 N8 O2 Ru -","- C33 H38 Cl3 N8 O2 Ru -","- C132 H152 Cl12 N32 O8 Ru4 -","4","1","","Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler","Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes","Inorganic Chemistry","2005","44","","6704","6716","10.1021/ic0503737","","","0.71073","MoKα","","0.0398","0.0302","","","0.0818","0.0871","","","","","","1.025","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309567","11.313","0.002","11.546","0.002","13.456","0.003","90","","90","","90","","1757.6","0.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mer-trichlorotripyrazoloruthenium(III)","","- C12 H18 Cl3 N6 Ru -","- C12 H18 Cl3 N6 Ru -","- C48 H72 Cl12 N24 Ru4 -","4","1","","Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler","Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes","Inorganic Chemistry","2005","44","","6704","6716","10.1021/ic0503737","","","0.71073","MoKα","","0.0223","0.02","","","0.0443","0.0451","","","","","","1.068","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309568","9.6322","0.0019","18.979","0.004","9.6991","0.0019","90","","90.01","0.03","90","","1773.1","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","mer-trichlorotripyrazoloruthenium(III)","","- C12 H16 Cl3 N8 Ru -","- C12 H16 Cl3 N8 Ru -","- C48 H64 Cl12 N32 Ru4 -","4","0.5","","Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler","Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes","Inorganic Chemistry","2005","44","","6704","6716","10.1021/ic0503737","","","0.71073","MoKα","","0.0201","0.0186","","","0.0443","0.0449","","","","","","1.098","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309569","7.9169","0.0016","8.4136","0.0017","14.658","0.003","102.9","0.03","90.93","0.03","110.6","0.03","886","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","mer-trichlorotripyrazoloruthenium(III)","","- C12 H16 Cl3 N8 Ru -","- C12 H16 Cl3 N8 Ru -","- C24 H32 Cl6 N16 Ru2 -","2","1","","Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler","Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes","Inorganic Chemistry","2005","44","","6704","6716","10.1021/ic0503737","","","0.71073","MoKα","","0.037","0.0257","","","0.0527","0.0559","","","","","","1.058","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309570","8.1046","0.0016","14.693","0.003","11.754","0.002","90","","98.29","0.03","90","","1385.1","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","mer-trichlorotripyrazoloruthenium(III)","","- C6 H11 Cl3 N9 O Ru -","- C6 H11 Cl3 N9 O Ru -","- C24 H44 Cl12 N36 O4 Ru4 -","4","1","","Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler","Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes","Inorganic Chemistry","2005","44","","6704","6716","10.1021/ic0503737","","","0.71073","MoKα","","0.0327","0.0243","","","0.0519","0.0545","","","","","","1.076","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309571","7.45","0.0015","7.6149","0.0015","10.55","0.002","81.82","0.03","88.66","0.03","63.26","0.03","528.5","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","mer-trichlorotripyrazoloruthenium(III)","","- C8 H16 Cl2 F6 N12 O2 Ru Sb -","- C8 H16 Cl2 F6 N12 O2 Ru Sb -","- C8 H16 Cl2 F6 N12 O2 Ru Sb -","1","0.5","","Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler","Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes","Inorganic Chemistry","2005","44","","6704","6716","10.1021/ic0503737","","","0.71073","MoKα","","0.0536","0.043","","","0.114","0.1199","","","","","","1.058","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309572","7.139","0.001","19.878","0.004","12.167","0.002","90","","92.62","0.03","90","","1724.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","mer-trichlorotripyrazoloruthenium(III)","","- C9 H15 Cl3 N9 Ru -","- C9 H15 Cl3 N9 Ru -","- C36 H60 Cl12 N36 Ru4 -","4","1","","Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler","Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes","Inorganic Chemistry","2005","44","","6704","6716","10.1021/ic0503737","","","0.71073","MoKα","","0.0351","0.0291","","","0.0695","0.072","","","","","","1.111","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309573","12.194","0.002","12.194","0.002","17.336","0.003","90","","90","","120","","2232.4","0.6","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","mer-trichlorotripyrazoloruthenium(III)","","- C18 H30 B2 F8 N18 Ru -","- C18 H30 B2 F8 N18 Ru -","- C54 H90 B6 F24 N54 Ru3 -","3","0.166667","","Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler","Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes","Inorganic Chemistry","2005","44","","6704","6716","10.1021/ic0503737","","","0.71073","MoKα","","0.0301","0.0281","","","0.0717","0.0724","","","","","","0.979","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309574","17.73","0.004","10.794","0.002","27.802","0.006","90","","90.35","0.03","90","","5320.6","1.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","mer-trichlorotripyrazoloruthenium(III)","","- C21 H36 Cl3 N6 Ru -","- C21 H36 Cl3 N6 Ru -","- C168 H288 Cl24 N48 Ru8 -","8","2","","Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler","Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes","Inorganic Chemistry","2005","44","","6704","6716","10.1021/ic0503737","","","0.71073","MoKα","","0.0465","0.031","","","0.0829","0.0959","","","","","","1.085","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309575","14.1299","0.0015","12.178","0.0013","19.27","0.002","90","","105.851","0.002","90","","3189.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Ir2 N2 O6 -","- C14 H8 Ir2 N2 O6 -","- C112 H64 Ir16 N16 O48 -","8","1","","B. Eva Villarroya; Cristina Tejel; Marie-Madeleine Rohmer; Luis A. Oro; Miguel A. Ciriano; Marc Bénard","Discrete Iridium Pyridonate Chains with Variable Metal Valence: Nature and Energetics of the Ir-Ir Bonding from DFT Calculations","Inorganic Chemistry","2005","44","","6536","6544","10.1021/ic050419w","","","0.71073","MoKα","","0.0544","0.0319","","","0.0653","0.0703","","","","","","0.854","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309576","9.457","0.0002","10.6507","0.0002","16.4342","0.0005","79.5093","0.0008","85.0207","0.0008","65.3736","0.0017","1479.49","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 F24 Mn2 N6 O10 -","- C48 H36 F23.94 Mn2 N6 O10 -","- C48 H36 F23.94 Mn2 N6 O10 -","1","0.5","","Martha Baskett; Paul M. Lahti; Armando Paduan-Filho; Nei F. Oliveira","Cyclic M2(RL)2 Coordination Complexes of 5-(3-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine with Paramagnetic Transition Metal Dications","Inorganic Chemistry","2005","44","","6725","6735","10.1021/ic050435t","","","0.71073","MoKα","","0.1111","0.0971","","","0.2514","0.2668","","","","","","1.042","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309577","9.008","0.0001","10.1214","0.0002","16.6591","0.0003","79.5635","0.0008","86.6765","0.0008","69.2349","0.0009","1396.68","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 F24 Mn2 N6 O10 -","- C48 H36 F23.94 Mn2 N6 O10 -","- C48 H36 F23.94 Mn2 N6 O10 -","1","0.5","","Martha Baskett; Paul M. Lahti; Armando Paduan-Filho; Nei F. Oliveira","Cyclic M2(RL)2 Coordination Complexes of 5-(3-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine with Paramagnetic Transition Metal Dications","Inorganic Chemistry","2005","44","","6725","6735","10.1021/ic050435t","","","0.71073","MoKα","","0.045","0.0417","","","0.102","0.1048","","","","","","1.043","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309578","9.4474","0.0002","10.604","0.0003","16.493","0.0005","78.6172","0.0009","85.0945","0.001","64.9927","0.0014","1467.92","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Co2 F24 N6 O10 -","- C48 H36 Co2 F23.94 N6 O10 -","- C48 H36 Co2 F23.94 N6 O10 -","1","0.5","","Martha Baskett; Paul M. Lahti; Armando Paduan-Filho; Nei F. Oliveira","Cyclic M2(RL)2 Coordination Complexes of 5-(3-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine with Paramagnetic Transition Metal Dications","Inorganic Chemistry","2005","44","","6725","6735","10.1021/ic050435t","","","0.71073","MoKα","","0.1085","0.0882","","","0.2212","0.2392","","","","","","1.052","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309579","9.231","0.0002","10.3568","0.0002","16.4551","0.0004","79.1122","0.0008","85.5223","0.0009","66.7499","0.001","1419.38","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Co2 F24 N6 O10 -","- C48 H36 Co2 F23.94 N6 O10 -","- C48 H36 Co2 F23.94 N6 O10 -","1","0.5","","Martha Baskett; Paul M. Lahti; Armando Paduan-Filho; Nei F. Oliveira","Cyclic M2(RL)2 Coordination Complexes of 5-(3-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine with Paramagnetic Transition Metal Dications","Inorganic Chemistry","2005","44","","6725","6735","10.1021/ic050435t","","","0.71073","MoKα","","0.0568","0.0526","","","0.1297","0.1332","","","","","","1.06","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309580","9.6557","0.0002","16.0424","0.0003","19.6212","0.0004","76.6264","0.0006","81.6717","0.0006","82.552","0.0009","2911.11","0.1","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cu2 F24 N6 O10 -","- C48 H36 Cu2 F24 N6 O10 -","- C96 H72 Cu4 F48 N12 O20 -","2","1","","Martha Baskett; Paul M. Lahti; Armando Paduan-Filho; Nei F. Oliveira","Cyclic M2(RL)2 Coordination Complexes of 5-(3-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine with Paramagnetic Transition Metal Dications","Inorganic Chemistry","2005","44","","6725","6735","10.1021/ic050435t","","","0.71073","MoKα","","0.1111","0.0793","","","0.1932","0.214","","","","","","1.026","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309581","9.5184","0.0001","15.8656","0.0002","19.4793","0.0003","76.6884","0.0005","81.6336","0.0005","82.0372","0.0007","2815.27","0.06","173","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cu2 F24 N6 O10 -","- C48 H36 Cu2 F24 N6 O10 -","- C96 H72 Cu4 F48 N12 O20 -","2","1","","Martha Baskett; Paul M. Lahti; Armando Paduan-Filho; Nei F. Oliveira","Cyclic M2(RL)2 Coordination Complexes of 5-(3-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine with Paramagnetic Transition Metal Dications","Inorganic Chemistry","2005","44","","6725","6735","10.1021/ic050435t","","","0.71073","MoKα","","0.0899","0.0667","","","0.1579","0.1732","","","","","","1.015","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309582","9.4423","0.0001","15.7864","0.0002","19.4298","0.0004","76.6127","0.0006","81.7446","0.0006","81.6369","0.0008","2769.31","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cu2 F24 N6 O10 -","- C48 H36 Cu2 F24 N6 O10 -","- C96 H72 Cu4 F48 N12 O20 -","2","1","","Martha Baskett; Paul M. Lahti; Armando Paduan-Filho; Nei F. Oliveira","Cyclic M2(RL)2 Coordination Complexes of 5-(3-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine with Paramagnetic Transition Metal Dications","Inorganic Chemistry","2005","44","","6725","6735","10.1021/ic050435t","","","0.71073","MoKα","","0.0702","0.0522","","","0.1234","0.1336","","","","","","1.029","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309583","10.359","0.0001","10.404","0.0001","14.887","0.0002","91.856","0.001","94.65","0.001","113.865","0.001","1458.69","0.03","293","","293","","","","","","","","synthesis as described","6","P -1","-P 1","2","MB4147","","","- C25 H19 Cu F12 N2 O5 -","- C25 H19 Cu F12 N2 O5 -","- C50 H38 Cu2 F24 N4 O10 -","2","1","","Martha Baskett; Paul M. Lahti; Armando Paduan-Filho; Nei F. Oliveira","Cyclic M2(RL)2 Coordination Complexes of 5-(3-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine with Paramagnetic Transition Metal Dications","Inorganic Chemistry","2005","44","","6725","6735","10.1021/ic050435t","","x-ray","0.71073","MoKα","","0.0425","0.0326","","","0.0813","0.0874","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309584","10.1242","0.0004","10.1242","0.0004","15.1091","0.001","90","","90","","90","","1548.67","0.13","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- In9 Li2 Y5 -","- In9 Li2 Y5 -","- In36 Li8 Y20 -","4","0.25","","Zhong-Ming Sun; Jiang-Gao Mao; Da-Chun Pan","Novel Corrugated In9 Anionic Layer in Li2Y5In9: Square Pyramidal In5 Clusters Interconnected by Unusual Butterfly In4 Clusters","Inorganic Chemistry","2005","44","","6545","6549","10.1021/ic050462j","","","0.71073","MoKα","","0.0383","0.0319","","","0.0516","0.0535","","","","","","1.157","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309585","15.2165","0.0014","15.2165","0.0014","15.2165","0.0014","90","","90","","90","","3523.3","0.6","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba6 In4.78 N2.72 -","- Ba6 In4.778 N2.72 -","- Ba48 In38.224 N21.76 -","8","0.0416667","","Mark S. Bailey; Daniel Y. Shen; Michael A. McGuire; Daniel C. Fredrickson; Brian H. Toby; Francis J. DiSalvo; Hisanori Yamane; Shinya Sasaki; Masahiko Shimada","The Indium Subnitrides Ae6In4(InxLiy)N3-z (Ae = Sr and Ba)","Inorganic Chemistry","2005","44","","6680","6690","10.1021/ic050613i","","","0.71073","MoKα","","0.0291","0.0238","","","0.053","0.0545","","","","","","1.181","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309586","14.3752","0.0004","14.3752","","14.3752","","90","","90","","90","","2970.58","0.08","173","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Lithium Strontium Indium Nitride","","","- In4.32 Li0.92 N2.49 Sr6 -","- In4.32 Li0.92 N2.49 Sr6 -","- In34.56 Li7.36 N19.92 Sr48 -","8","0.0416667","","Mark S. Bailey; Daniel Y. Shen; Michael A. McGuire; Daniel C. Fredrickson; Brian H. Toby; Francis J. DiSalvo; Hisanori Yamane; Shinya Sasaki; Masahiko Shimada","The Indium Subnitrides Ae6In4(InxLiy)N3-z (Ae = Sr and Ba)","Inorganic Chemistry","2005","44","","6680","6690","10.1021/ic050613i","powder diffraction","","","","","","","","","","","","","1.03","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309587","12.051","0.004","13.227","0.006","21.673","0.005","90","","94.78","0.02","90","","3443","2","301.2","","301.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 N5 O2 Ru -","- C34 H50 N5 O2 Ru -","- C136 H200 N20 O8 Ru4 -","4","1","","Wai-Fun Yeung; Pui-Ha Lau; Tai-Chu Lau; Hai-Yan Wei; Hao-Ling Sun; Song Gao; Zhi-Da Chen; Wing-Tak Wong","Heterometallic MIIRuIII2 Compounds Constructed from trans-[Ru(Salen)(CN)2]- and trans-[Ru(Acac)2(CN)2]-. Synthesis, Structures, Magnetic Properties, and Density Functional Theoretical Study","Inorganic Chemistry","2005","44","","6579","6590","10.1021/ic0506456","","","0.7107","MoKα","","","0.096","","","0.1001","","","","","2.566","2.566","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309588","13.4134","0.0007","18.1077","0.0009","12.8645","0.0006","90","","103.853","0.01","90","","3033.7","0.3","298.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72 Mn N8 O16 Ru2 -","- C46 H58 Mn N8 O16 Ru2 -","- C92 H116 Mn2 N16 O32 Ru4 -","2","0.5","","Wai-Fun Yeung; Pui-Ha Lau; Tai-Chu Lau; Hai-Yan Wei; Hao-Ling Sun; Song Gao; Zhi-Da Chen; Wing-Tak Wong","Heterometallic MIIRuIII2 Compounds Constructed from trans-[Ru(Salen)(CN)2]- and trans-[Ru(Acac)2(CN)2]-. Synthesis, Structures, Magnetic Properties, and Density Functional Theoretical Study","Inorganic Chemistry","2005","44","","6579","6590","10.1021/ic0506456","","","0.7107","MoKα","","","0.039","","","","0.048","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309589","14.799","0.0009","14.799","0.0009","17.114","0.001","90","","90","","90","","3748.1","0.4","298","2","298","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C36 H34 Mn N8 O7 Ru2 -","- C36 H28 Mn N8 O7 Ru2 -","- C144 H112 Mn4 N32 O28 Ru8 -","4","0.25","","Wai-Fun Yeung; Pui-Ha Lau; Tai-Chu Lau; Hai-Yan Wei; Hao-Ling Sun; Song Gao; Zhi-Da Chen; Wing-Tak Wong","Heterometallic MIIRuIII2 Compounds Constructed from trans-[Ru(Salen)(CN)2]- and trans-[Ru(Acac)2(CN)2]-. Synthesis, Structures, Magnetic Properties, and Density Functional Theoretical Study","Inorganic Chemistry","2005","44","","6579","6590","10.1021/ic0506456","","","0.7107","MoKα","","","0.0508","","","0.0557","","","","","1.522","1.522","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309590","7.622","0.001","11.908","0.001","14.448","0.001","70.41","0.01","81.31","0.01","87.32","0.01","1221.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 N8 Ni O12 Ru2 -","- C36 H52 N8 Ni O12 Ru2 -","- C36 H52 N8 Ni O12 Ru2 -","1","0.5","","Wai-Fun Yeung; Pui-Ha Lau; Tai-Chu Lau; Hai-Yan Wei; Hao-Ling Sun; Song Gao; Zhi-Da Chen; Wing-Tak Wong","Heterometallic MIIRuIII2 Compounds Constructed from trans-[Ru(Salen)(CN)2]- and trans-[Ru(Acac)2(CN)2]-. Synthesis, Structures, Magnetic Properties, and Density Functional Theoretical Study","Inorganic Chemistry","2005","44","","6579","6590","10.1021/ic0506456","","","0.7107","MoKα","","","0.059","","","","0.064","","","","","","1.221","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309591","13.425","0.002","13.425","0.002","8.224","0.002","90","","90","","90","","1482.2","0.5","296.2","","296.2","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C24 H28 Co N4 O8 Ru2 -","- C28 H28 Co N16 O16 Ru2 -","- C56 H56 Co2 N32 O32 Ru4 -","2","0.25","","Wai-Fun Yeung; Pui-Ha Lau; Tai-Chu Lau; Hai-Yan Wei; Hao-Ling Sun; Song Gao; Zhi-Da Chen; Wing-Tak Wong","Heterometallic MIIRuIII2 Compounds Constructed from trans-[Ru(Salen)(CN)2]- and trans-[Ru(Acac)2(CN)2]-. Synthesis, Structures, Magnetic Properties, and Density Functional Theoretical Study","Inorganic Chemistry","2005","44","","6579","6590","10.1021/ic0506456","","","0.7107","MoKalpha","","","0.0312","","","0.0444","","","","","1.431","1.431","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309592","15.22","0.004","11.916","0.003","17.379","0.004","90","","103.893","0.0009","90","","3059.7","1.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-carbaphosphatrane","","","- C34 H43 O3 P -","- C34 H43 O3 P -","- C136 H172 O12 P4 -","4","1","","Shin-ya Nakafuji; Junji Kobayashi; Takayuki Kawashima; Michael W. Schmidt","Solvent-Dependent Crystallization of 1-Hydro-6-carbaphosphatrane and Its Tautomer","Inorganic Chemistry","2005","44","","6500","6502","10.1021/ic050679d","","","0.7107","MoKα","","0.067","0.0602","","","0.1576","0.1639","","","","","","1.048","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309593","11.74","0.016","10.492","0.014","23.8","0.03","90","0.007","90.617","0.007","90","0.007","2931","7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phosphonite","","","- C34 H43 O3 P -","- C34 H43 O3 P -","- C136 H172 O12 P4 -","4","1","","Shin-ya Nakafuji; Junji Kobayashi; Takayuki Kawashima; Michael W. Schmidt","Solvent-Dependent Crystallization of 1-Hydro-6-carbaphosphatrane and Its Tautomer","Inorganic Chemistry","2005","44","","6500","6502","10.1021/ic050679d","","","0.7107","MoKα","","0.1246","0.0882","","","0.1891","0.2117","","","","","","1.128","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309594","14.7258","0.0002","20.327","0.0002","25.0991","0.0003","90","","90","","90","","7512.95","0.15","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39.5 H35 Cl3 Cu2 N8 -","- C39.5 H35 Cl3 Cu2 N8 -","- C316 H280 Cl24 Cu16 N64 -","8","1","","Jacqueline M. Veauthier; Elisa Tomat; Vincent M. Lynch; Jonathan L. Sessler; Utkir Mirsaidov; John T. Markert","Calix[4]pyrrole Schiff Base Macrocycles: Novel Binucleating Ligands for Cu(I) and Cu(II)","Inorganic Chemistry","2005","44","","6736","6743","10.1021/ic050690d","","","0.71073","MoKα","","0.1135","0.0544","","","0.1125","0.1337","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309595","16.9594","0.0001","15.0893","0.0001","18.967","0.0002","90","","114.511","0.0005","90","","4416.35","0.06","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 Cl2 Cu2 N8 O2 -","- C46 H52 Cl2 Cu2 N8 O2 -","- C184 H208 Cl8 Cu8 N32 O8 -","4","1","","Jacqueline M. Veauthier; Elisa Tomat; Vincent M. Lynch; Jonathan L. Sessler; Utkir Mirsaidov; John T. Markert","Calix[4]pyrrole Schiff Base Macrocycles: Novel Binucleating Ligands for Cu(I) and Cu(II)","Inorganic Chemistry","2005","44","","6736","6743","10.1021/ic050690d","","","0.71073","MoKα","","0.0809","0.0456","","","0.1088","0.1222","","","","","","1.142","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309596","24.239","0.0006","15.9732","0.0004","14.2036","0.0004","90","","98.937","0.001","90","","5432.5","0.2","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H74 Cl2 Cu2 N8 O3 -","- C46 H52 Cl2 Cu2 N8 -","- C184 H208 Cl8 Cu8 N32 -","4","0.5","","Jacqueline M. Veauthier; Elisa Tomat; Vincent M. Lynch; Jonathan L. Sessler; Utkir Mirsaidov; John T. Markert","Calix[4]pyrrole Schiff Base Macrocycles: Novel Binucleating Ligands for Cu(I) and Cu(II)","Inorganic Chemistry","2005","44","","6736","6743","10.1021/ic050690d","","","0.71073","MoKα","","0.1366","0.0567","","","0.1135","0.122","","","","","","1.415","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309597","12.884","0.0002","13.3","0.0002","23.956","0.0004","89.044","0.0006","76.486","0.0006","68.324","0.0006","3698.11","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34.5 H39 Cl3 Cu1.5 N6 O4.5 -","- C39.5 H32 Cl3 Cu2 N8 -","- C158 H128 Cl12 Cu8 N32 -","4","2","","Jacqueline M. Veauthier; Elisa Tomat; Vincent M. Lynch; Jonathan L. Sessler; Utkir Mirsaidov; John T. Markert","Calix[4]pyrrole Schiff Base Macrocycles: Novel Binucleating Ligands for Cu(I) and Cu(II)","Inorganic Chemistry","2005","44","","6736","6743","10.1021/ic050690d","","","0.71073","MoKα","","0.1679","0.0867","","","0.1706","0.1932","","","","","","1.906","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309598","18.1883","0.0003","21.1087","0.0004","23.0192","0.0004","90","","128.202","0.0006","90","","6945.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 N10 O6 Pt3 -","- C52 H68 N10 O6 Pt3 -","- C208 H272 N40 O24 Pt12 -","4","1","","Catelijne H. M. Amijs; Alexsandro Berger; Fouad Soulimani; Tom Visser; Gerard P. M. van Klink; Martin Lutz; Anthony L. Spek; Gerard van Koten","Neutral Pyridyl-Functionalized C,N-ortho-Chelated Aminoaryl Platinum(II) Corner Building Blocks for Application in Coordination Reactions","Inorganic Chemistry","2005","44","","6567","6578","10.1021/ic050697v","","","0.71073","MoKα","","0.0567","0.0405","","","0.1074","0.1138","","","","","","1.08","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309599","9.1884","0.001","10.7555","0.0017","12.6573","0.001","98.903","0.007","103.582","0.006","92.374","0.01","1197.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N4 Pt -","- C28 H30 N4 Pt -","- C56 H60 N8 Pt2 -","2","1","","Catelijne H. M. Amijs; Alexsandro Berger; Fouad Soulimani; Tom Visser; Gerard P. M. van Klink; Martin Lutz; Anthony L. Spek; Gerard van Koten","Neutral Pyridyl-Functionalized C,N-ortho-Chelated Aminoaryl Platinum(II) Corner Building Blocks for Application in Coordination Reactions","Inorganic Chemistry","2005","44","","6567","6578","10.1021/ic050697v","","","0.71073","MoKα","","0.0326","0.0267","","","0.0641","0.0664","","","","","","1.085","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309600","10.5554","0.0004","12.5362","0.0004","10.829","0.0002","90","","90","","90","","1432.94","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H19 N3 O3 Pt -","- C12 H19 N3 O3 Pt -","- C48 H76 N12 O12 Pt4 -","4","1","","Catelijne H. M. Amijs; Alexsandro Berger; Fouad Soulimani; Tom Visser; Gerard P. M. van Klink; Martin Lutz; Anthony L. Spek; Gerard van Koten","Neutral Pyridyl-Functionalized C,N-ortho-Chelated Aminoaryl Platinum(II) Corner Building Blocks for Application in Coordination Reactions","Inorganic Chemistry","2005","44","","6567","6578","10.1021/ic050697v","","","0.71073","MoKα","","0.0273","0.0214","","","0.0443","0.0464","","","","","","1.032","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309601","8.8915","0.0003","9.0104","0.0002","9.6808","0.0002","77.947","0.002","87.79","0.002","77.378","0.002","740.14","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H21 N3 O4 Pt -","- C12 H21 N3 O4 Pt -","- C24 H42 N6 O8 Pt2 -","2","1","","Catelijne H. M. Amijs; Alexsandro Berger; Fouad Soulimani; Tom Visser; Gerard P. M. van Klink; Martin Lutz; Anthony L. Spek; Gerard van Koten","Neutral Pyridyl-Functionalized C,N-ortho-Chelated Aminoaryl Platinum(II) Corner Building Blocks for Application in Coordination Reactions","Inorganic Chemistry","2005","44","","6567","6578","10.1021/ic050697v","","","0.71073","MoKα","","0.0142","0.0134","","","0.0331","0.0334","","","","","","1.19","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309602","15.846","0.002","9.5722","0.0012","11.624","0.0015","90","","104.272","0.002","90","","1708.7","0.4","81","2","81","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N3 O3 Re S -","- C17 H16 N3 O3 Re S -","- C68 H64 N12 O12 Re4 S4 -","4","1","","Neva Lazarova; John Babich; John Valliant; Paul Schaffer; Shelly James; Jon Zubieta","Thiol- and Thioether-Based Bifunctional Chelates for the {M(CO)3}+ Core (M = Tc, Re)","Inorganic Chemistry","2005","44","","6763","6770","10.1021/ic050735a","","","0.71073","MoKα","","0.0197","0.0181","","","0.045","0.0457","","","","","","1.045","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309603","11.2217","0.0007","19.7326","0.0012","12.3746","0.0007","90","","100","0.001","90","","2698.5","0.3","101","2","101","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br2 N3 O6 Re2 S -","- C22 H21 Br2 N3 O6 Re2 S -","- C88 H84 Br8 N12 O24 Re8 S4 -","4","1","","Neva Lazarova; John Babich; John Valliant; Paul Schaffer; Shelly James; Jon Zubieta","Thiol- and Thioether-Based Bifunctional Chelates for the {M(CO)3}+ Core (M = Tc, Re)","Inorganic Chemistry","2005","44","","6763","6770","10.1021/ic050735a","","","0.71073","MoKα","","0.1091","0.0961","","","0.1873","0.1924","","","","","","1.296","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309604","7.612","0.0001","7.612","","49.4945","0.0009","90","","90","","90","","2867.84","0.06","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C10 H6 Ag Cu N4 O8 Re -","- C10 H6 Ag Cu N4 O8 Re -","- C80 H48 Ag8 Cu8 N32 O64 Re8 -","8","1","","Bangbo Yan; Michael D. Capracotta; Paul A. Maggard","Structural Origin of Chirality and Properties of a Remarkable Helically Pillared Solid","Inorganic Chemistry","2005","44","","6509","6511","10.1021/ic050794o","","","0.71073","MoKα","","0.0471","0.0329","","","0.0791","0.0827","","","","","","1.074","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309605","10.292","0.004","10.794","0.004","11.399","0.005","98.894","0.005","102.36","0.006","90.319","0.005","1221.1","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H10 Ag2 F6 N2 O7 S2 -","- C20 H10 Ag2 F6 N2 O7 S2 -","- C40 H20 Ag4 F12 N4 O14 S4 -","2","1","","Yu-Bin Dong; Qiang Zhang; Le Wang; Jian-Ping Ma; Ru-Qi Huang; Da-Zhong Shen; De-Zhan Chen","Organometallic Coordination Polymers Generated from Bent Bis(acetylenylphenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","6591","6608","10.1021/ic0508223","","","0.71073","MoKα","","0.0659","0.0559","","","0.1513","0.1601","","","","","","1","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309606","8.5153","0.0016","19.722","0.004","10.32","0.002","90","","105.307","0.003","90","","1671.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Ag Cl N2 O5 -","- C18 H10 Ag Cl N2 O5 -","- C72 H40 Ag4 Cl4 N8 O20 -","4","1","","Yu-Bin Dong; Qiang Zhang; Le Wang; Jian-Ping Ma; Ru-Qi Huang; Da-Zhong Shen; De-Zhan Chen","Organometallic Coordination Polymers Generated from Bent Bis(acetylenylphenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","6591","6608","10.1021/ic0508223","","","0.71073","MoKα","","0.0854","0.0728","","","0.1458","0.1528","","","","","","1.065","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309607","19.059","0.009","12.922","0.006","15.609","0.007","90","","90","","90","","3844","3","298","2","298","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C18 H10 Ag F6 N2 O Sb -","- C18 H10 Ag F6 N2 O Sb -","- C144 H80 Ag8 F48 N16 O8 Sb8 -","8","","","Yu-Bin Dong; Qiang Zhang; Le Wang; Jian-Ping Ma; Ru-Qi Huang; Da-Zhong Shen; De-Zhan Chen","Organometallic Coordination Polymers Generated from Bent Bis(acetylenylphenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","6591","6608","10.1021/ic0508223","","","0.71073","MoKα","","0.087","0.0738","","","0.1736","0.1821","","","","","","1.07","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309608","19.128","0.003","12.6042","0.0018","28.003","0.004","90","","90","","90","","6751.3","1.7","298","2","298","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C18 H10 Ag B F4 N2 O -","- C18 H10 Ag B F4 N2 O -","- C288 H160 Ag16 B16 F64 N32 O16 -","16","","","Yu-Bin Dong; Qiang Zhang; Le Wang; Jian-Ping Ma; Ru-Qi Huang; Da-Zhong Shen; De-Zhan Chen","Organometallic Coordination Polymers Generated from Bent Bis(acetylenylphenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","6591","6608","10.1021/ic0508223","","","0.71073","MoKα","","0.0771","0.0683","","","0.1764","0.1826","","","","","","1.091","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309609","9.0605","0.0013","10.4956","0.0015","10.8085","0.0016","101.666","0.002","109.269","0.002","100.944","0.002","912.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H10 Ag F3 N2 O4 S -","- C19 H10 Ag F3 N2 O4 S -","- C38 H20 Ag2 F6 N4 O8 S2 -","2","1","","Yu-Bin Dong; Qiang Zhang; Le Wang; Jian-Ping Ma; Ru-Qi Huang; Da-Zhong Shen; De-Zhan Chen","Organometallic Coordination Polymers Generated from Bent Bis(acetylenylphenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","6591","6608","10.1021/ic0508223","","","0.71073","MoKα","","0.0302","0.0284","","","0.0755","0.077","","","","","","1","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309610","32.18","0.006","17.027","0.003","8.1453","0.0015","90","","102.541","0.003","90","","4356.6","1.4","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C18 H12 Ag B F4 N2 O2 -","- C18 H12 Ag B F4 N2 O2 -","- C144 H96 Ag8 B8 F32 N16 O16 -","8","1","","Yu-Bin Dong; Qiang Zhang; Le Wang; Jian-Ping Ma; Ru-Qi Huang; Da-Zhong Shen; De-Zhan Chen","Organometallic Coordination Polymers Generated from Bent Bis(acetylenylphenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","6591","6608","10.1021/ic0508223","","","0.71073","MoKα","","0.11","0.072","","","0.1718","0.1907","","","","","","1.041","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309611","8.146","0.001","17.326","0.002","30.345","0.004","90","","97.71","","90","","4244.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Ag2 Cl2 N4 O11 -","- C44 H32 Ag2 Cl2 N4 O11 -","- C176 H128 Ag8 Cl8 N16 O44 -","4","1","","Yu-Bin Dong; Qiang Zhang; Le Wang; Jian-Ping Ma; Ru-Qi Huang; Da-Zhong Shen; De-Zhan Chen","Organometallic Coordination Polymers Generated from Bent Bis(acetylenylphenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","6591","6608","10.1021/ic0508223","","","0.71073","MoKα","","0.0469","0.0393","","","0.1078","0.1117","","","","","","1.054","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309612","11.9974","0.0011","11.7111","0.0011","10.7768","0.001","90","","90","","90","","1514.2","0.2","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Al Cl9 N3 P3 -","- Al Cl9 N3 P3 -","- Al4 Cl36 N12 P12 -","4","1","","Amy J. Heston; Matthew J. Panzner; Wiley J. Youngs; Claire A. Tessier","Lewis Acid Adducts of [PCl2N]3","Inorganic Chemistry","2005","44","","6518","6520","10.1021/ic050974y","","","0.71073","MoKα","","0.0446","0.0428","","","0.0874","0.0881","","","","","","1.275","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309613","11.7624","0.0011","10.7999","0.001","23.873","0.002","90","","91.989","0.002","90","","3030.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl9 Ga N3 P3 -","- Cl9 Ga N3 P3 -","- Cl72 Ga8 N24 P24 -","8","2","","Amy J. Heston; Matthew J. Panzner; Wiley J. Youngs; Claire A. Tessier","Lewis Acid Adducts of [PCl2N]3","Inorganic Chemistry","2005","44","","6518","6520","10.1021/ic050974y","","","0.71073","MoKα","","0.0503","0.0405","","","0.0847","0.0882","","","","","","1.085","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309614","13.5337","0.0016","13.5337","0.0016","13.5337","0.0016","90","","90","","90","","2478.8","0.5","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","Na3AuIn2","","","- Au In2 Na3 -","- Au In2 Na3 -","- Au16 In32 Na48 -","16","0.0833333","","Bin Li; John D. Corbett","Participation of Sodium in the Bonding of Anionic Networks: Synthesis, Structure, and Bonding of Na3MIn2 (M = Au, Ag)","Inorganic Chemistry","2005","44","","6515","6517","10.1021/ic050979v","","","0.71073","MoKα","","0.0148","0.0146","","","0.0344","0.0344","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309615","10.2001","0.0002","14.9237","0.0003","18.8682","0.0003","90","","97.967","0.001","90","","2844.46","0.09","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 Al Cl4 N3 O P2 -","- C21 H38 Al Cl4 N3 O P2 -","- C84 H152 Al4 Cl16 N12 O4 P8 -","4","1","","Eric Rivard; Paul J. Ragogna; Andrew R. McWilliams; Alan J. Lough; Ian Manners","Reversible Skeletal Transmetalations of Inorganic Rings: Isolation of Aluminatophosphazenes, a Zwitterionic Phosphazene, and a Donor-Stabilized Alumazine-Phosphazene Hybrid Cation","Inorganic Chemistry","2005","44","","6789","6798","10.1021/ic0509938","","","0.71073","MoKα","","0.0496","0.0354","","","0.0838","0.0903","","","","","","1.036","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309616","6.3252","0.0001","12.2722","0.0003","15.961","0.0004","90","","96.0266","0.0012","90","","1232.11","0.05","150","1","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 Cl4 F4 N3 P3 -","- C2 H6 Cl4 F4 N3 P3 -","- C8 H24 Cl16 F16 N12 P12 -","4","1","","Eric Rivard; Paul J. Ragogna; Andrew R. McWilliams; Alan J. Lough; Ian Manners","Reversible Skeletal Transmetalations of Inorganic Rings: Isolation of Aluminatophosphazenes, a Zwitterionic Phosphazene, and a Donor-Stabilized Alumazine-Phosphazene Hybrid Cation","Inorganic Chemistry","2005","44","","6789","6798","10.1021/ic0509938","","","0.71073","MoKα","","0.0622","0.0353","","","0.0765","0.0866","","","","","","1.041","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309617","20.5414","0.0009","21.3611","0.0009","18.455","0.0008","90","","90","","90","","8097.8","0.6","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C29 H34 O14.5 P Pt Ru5 -","- C29 H34 O14.5 P Pt Ru5 -","- C232 H272 O116 P8 Pt8 Ru40 -","8","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Synthesis of PtRu5(CO)14(PBut3)(μ-H)2(μ6-C) and Its Reactions with Pt(PBut3)2, HGePh3, and HSnPh3","Inorganic Chemistry","2005","44","","6623","6631","10.1021/ic051007q","","","0.71073","MoKα","","0.0339","0.0241","","","0.0556","0.0611","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309618","12.9564","0.0006","14.6621","0.0007","14.7665","0.0007","77.736","0.001","81.399","0.001","83.69","0.001","2701.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H66 O15 P2 Pt2 Ru5 -","- C43 H66 O15 P2 Pt2 Ru5 -","- C86 H132 O30 P4 Pt4 Ru10 -","2","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Synthesis of PtRu5(CO)14(PBut3)(μ-H)2(μ6-C) and Its Reactions with Pt(PBut3)2, HGePh3, and HSnPh3","Inorganic Chemistry","2005","44","","6623","6631","10.1021/ic051007q","","","0.71073","MoKα","","0.0474","0.0389","","","0.0682","0.0706","","","","","","1.117","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309619","10.0021","0.0006","15.1699","0.001","36.261","0.002","90","","91.561","0.001","90","","5499.9","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 Ge O13 P Pt Ru5 -","- C47 H52 Ge O13 P Pt Ru5 -","- C188 H208 Ge4 O52 P4 Pt4 Ru20 -","4","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Synthesis of PtRu5(CO)14(PBut3)(μ-H)2(μ6-C) and Its Reactions with Pt(PBut3)2, HGePh3, and HSnPh3","Inorganic Chemistry","2005","44","","6623","6631","10.1021/ic051007q","","","0.71073","MoKα","","0.0718","0.0508","","","0.1031","0.1101","","","","","","1.158","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309620","12.1956","0.0007","18.267","0.001","20.5553","0.0012","90","","106.154","0.001","90","","4398.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H39 Ge O13 P Pt Ru5 -","- C38 H39 Ge O13 P Pt Ru5 -","- C152 H156 Ge4 O52 P4 Pt4 Ru20 -","4","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Synthesis of PtRu5(CO)14(PBut3)(μ-H)2(μ6-C) and Its Reactions with Pt(PBut3)2, HGePh3, and HSnPh3","Inorganic Chemistry","2005","44","","6623","6631","10.1021/ic051007q","","","0.71073","MoKα","","0.0309","0.0276","","","0.0604","0.0616","","","","","","1.093","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309621","9.742","0.0004","13.8504","0.0005","18.2328","0.0007","83.738","0.001","87.63","0.001","72.989","0.001","2338.38","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H39 O13 P Pt Ru5 Sn -","- C38 H39 O13 P Pt Ru5 Sn -","- C76 H78 O26 P2 Pt2 Ru10 Sn2 -","2","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Synthesis of PtRu5(CO)14(PBut3)(μ-H)2(μ6-C) and Its Reactions with Pt(PBut3)2, HGePh3, and HSnPh3","Inorganic Chemistry","2005","44","","6623","6631","10.1021/ic051007q","","","0.71073","MoKα","","0.0382","0.0279","","","0.0598","0.0652","","","","","","0.997","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309622","12.5968","0.0004","19.5102","0.0006","34.6185","0.0011","90","","93.803","0.001","90","","8489.3","0.5","300","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H88 N16 O13 Re4 W2 -","- C72 H88 N16 O13 Re4 W2 -","- C288 H352 N64 O52 Re16 W8 -","4","1","","Michael Q. Dequeant; Robert McGuire; David R. McMillin; Tong Ren","One-Dimensional Supramolecular Assemblies Based on a Re2(III,III) Synthon and Their Solid-State Phosphorescence","Inorganic Chemistry","2005","44","","6521","6523","10.1021/ic051070f","","","0.71073","MoKα","","0.1209","0.058","","","0.122","0.1503","","","","","","1.001","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309623","21.1694","0.0016","10.514","0.0008","21.321","0.003","90","","104.496","0.001","90","","4594.4","0.8","300","2","300","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H48 N8 O6 Re2 -","- C44 H48 N8 O6 Re2 -","- C176 H192 N32 O24 Re8 -","4","0.5","","Michael Q. Dequeant; Robert McGuire; David R. McMillin; Tong Ren","One-Dimensional Supramolecular Assemblies Based on a Re2(III,III) Synthon and Their Solid-State Phosphorescence","Inorganic Chemistry","2005","44","","6521","6523","10.1021/ic051070f","","","0.71073","MoKα","","0.0827","0.0398","","","0.0709","0.0817","","","","","","1","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309624","21.857","0.005","16.632","0.004","18.846","0.005","90","","94.451","0.005","90","","6830","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H99 B2 O8 Si Y -","- C76 H99 B2 O8 Si Y -","- C304 H396 B8 O32 Si4 Y4 -","4","1","","Benjamin R. Elvidge; Stefan Arndt; Peter M. Zeimentz; Thomas P. Spaniol; Jun Okuda","Cationic Rare-Earth Metal Trimethylsilylmethyl Complexes Supported by THF and 12-Crown-4 Ligands: Synthesis and Structural Characterization","Inorganic Chemistry","2005","44","","6777","6788","10.1021/ic0511165","","","0.71073","MoKα","","0.1171","0.0636","","","0.1695","0.2019","","","","","","1.045","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4309625","10.849","0.004","15.69","0.002","17.256","0.003","90","","97.5","0.02","90","","2912.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H49 O4 Sc Si3 -","- C20 H49 O4 Sc Si3 -","- C80 H196 O16 Sc4 Si12 -","4","1","","Benjamin R. Elvidge; Stefan Arndt; Peter M. Zeimentz; Thomas P. Spaniol; Jun Okuda","Cationic Rare-Earth Metal Trimethylsilylmethyl Complexes Supported by THF and 12-Crown-4 Ligands: Synthesis and Structural Characterization","Inorganic Chemistry","2005","44","","6777","6788","10.1021/ic0511165","","","0.71073","MoKα","","0.0944","0.0503","","","0.1055","0.1227","","","","","","1.011","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4309626","6.7618","0.0005","22.3456","0.0015","8.5338","0.0006","90","","109.077","0.001","90","","1218.61","0.15","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","citrato molybdenum potassium","","","- C12 H21 K Mo2 O23 -","- C12 H21 K Mo2 O23 -","- C24 H42 K2 Mo4 O46 -","2","0.5","","Zhao-Hui Zhou; Yuan-Fu Deng; Ze-Xing Cao; Rong-Hua Zhang; Yuan L. Chow","Dimeric Dioxomolybdenum(VI) and Oxomolybdenum(V) Complexes with Citrate at Very Low pH and Neutral Conditions","Inorganic Chemistry","2005","44","","6912","6914","10.1021/ic048330y","","","0.71073","MoKα","","0.0883","0.078","","","0.1522","0.1581","","","","","","1.169","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309627","9.6932","0.0005","10.6198","0.0007","15.1487","0.0005","109.629","0.004","99.707","0.003","73.106","0.005","1401.03","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Ammonia molybdenum(V) citrate","","","- C12 H38 Mo2 N6 O21 -","- C12 H38 Mo2 N6 O21 -","- C24 H76 Mo4 N12 O42 -","2","1","","Zhao-Hui Zhou; Yuan-Fu Deng; Ze-Xing Cao; Rong-Hua Zhang; Yuan L. Chow","Dimeric Dioxomolybdenum(VI) and Oxomolybdenum(V) Complexes with Citrate at Very Low pH and Neutral Conditions","Inorganic Chemistry","2005","44","","6912","6914","10.1021/ic048330y","","","0.71073","MoKα","","0.0526","0.0386","","","0.0954","0.1026","","","","","","1.099","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309628","13.8092","0.0013","12.9422","0.001","16.9409","0.0014","90","","90.026","0.011","90","","3027.7","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Cl Fe I3 N10 -","- C21 H30 Cl Fe I3 N10 -","- C84 H120 Cl4 Fe4 I12 N40 -","4","1","","Masahiro Yamada; Eri Fukumoto; Makoto Ooidemizu; Nicolas Bréfuel; Naohide Matsumoto; Seiichiro Iijima; Masaaki Kojima; Nazzareno Re; Françoise Dahan; Jean-Pierre Tuchagues","A 2D Layered Spin Crossover Complex Constructed by NH...Cl-Hydrogen Bonds: [FeIIH3LMe]Cl.I3 (H3LMe= Tris[2-(((2-methylimidazoyl-4-yl)methylidene)amino)ethyl]amine","Inorganic Chemistry","2005","44","","6967","6974","10.1021/ic050008f","","","0.71073","MoKα","","0.0367","0.0362","","","0.044","0.0481","","","","","","1.425","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309629","14.0532","0.0016","13.0076","0.0009","17.2046","0.0018","90","","90.035","0.013","90","","3145","0.5","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Cl Fe I3 N10 -","- C21 H30 Cl Fe I3 N10 -","- C84 H120 Cl4 Fe4 I12 N40 -","4","1","","Masahiro Yamada; Eri Fukumoto; Makoto Ooidemizu; Nicolas Bréfuel; Naohide Matsumoto; Seiichiro Iijima; Masaaki Kojima; Nazzareno Re; Françoise Dahan; Jean-Pierre Tuchagues","A 2D Layered Spin Crossover Complex Constructed by NH...Cl-Hydrogen Bonds: [FeIIH3LMe]Cl.I3 (H3LMe= Tris[2-(((2-methylimidazoyl-4-yl)methylidene)amino)ethyl]amine","Inorganic Chemistry","2005","44","","6967","6974","10.1021/ic050008f","","","0.71073","MoKα","","0.0376","0.0342","","","0.0673","0.07","","","","","","1.038","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309630","13.5122","0.001","14.356","0.0011","22.119","0.0015","90","","105.798","0.001","90","","4128.6","0.5","146","2","146","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H80 B4 Co2 Fe4 N40 O14 -","- C56 H80 B4 Co2 Fe4 N40 O14 -","- C112 H160 B8 Co4 Fe8 N80 O28 -","2","0.5","","Jinkwon Kim; Sujin Han; Konstantin I. Pokhodnya; Jesse M. Migliori; Joel S. Miller","Cyano-Bridged Hexanuclear Fe4M2 (M = Ni, Co, Mn) Clusters: Spin-Canted Antiferromagnetic Ordering of Fe4Ni2 Cluster","Inorganic Chemistry","2005","44","","6983","6988","10.1021/ic0500356","","","0.71073","MoKα","","0.0787","0.0438","","","0.1003","0.1106","","","","","","0.919","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309631","13.594","0.002","14.505","0.003","22.493","0.004","90","","105.49","0.02","90","","4274.1","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H80 B4 Fe4 Mn2 N40 O14 -","- C56 H80 B4 Fe4 Mn2 N40 O14 -","- C112 H160 B8 Fe8 Mn4 N80 O28 -","2","0.5","","Jinkwon Kim; Sujin Han; Konstantin I. Pokhodnya; Jesse M. Migliori; Joel S. Miller","Cyano-Bridged Hexanuclear Fe4M2 (M = Ni, Co, Mn) Clusters: Spin-Canted Antiferromagnetic Ordering of Fe4Ni2 Cluster","Inorganic Chemistry","2005","44","","6983","6988","10.1021/ic0500356","","","0.71073","MoKα","","0.07","0.0535","","","0.1409","0.1518","","","","","","1.057","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309632","13.485","0.006","14.332","0.006","21.954","0.009","90","","106.222","0.009","90","","4074","3","146","2","146","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H80 B4 Fe4 N40 Ni2 O14 -","- C56 H80 B4 Fe4 N40 Ni2 O14 -","- C112 H160 B8 Fe8 N80 Ni4 O28 -","2","0.5","","Jinkwon Kim; Sujin Han; Konstantin I. Pokhodnya; Jesse M. Migliori; Joel S. Miller","Cyano-Bridged Hexanuclear Fe4M2 (M = Ni, Co, Mn) Clusters: Spin-Canted Antiferromagnetic Ordering of Fe4Ni2 Cluster","Inorganic Chemistry","2005","44","","6983","6988","10.1021/ic0500356","","","0.71073","MoKα","","0.1782","0.1318","","","0.232","0.2501","","","","","","1.206","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309633","10.1334","0.0005","20.1075","0.0011","15.9863","0.0009","90","","105.508","0.001","90","","3138.7","0.3","173","2","173","2","","","","","","","Anne M. Reynolds","4","P 1 21/c 1","-P 2ybc","14","03189","(PhMe)LiPr2Cu(MeCN)","","- C34 H44 Cu N3 -","- C34 H44 Cu N3 -","- C136 H176 Cu4 N12 -","4","1","","Anne M. Reynolds; Benjamin F. Gherman; Christopher J. Cramer; William B. Tolman","Characterization of a 1:1 Cu-O2 Adduct Supported by an Anilido Imine Ligand","Inorganic Chemistry","2005","44","","6989","6997","10.1021/ic050280p","","","0.71073","MoKα","","0.0541","0.0369","","","0.0932","0.1037","","","","","","1.015","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309634","36.846","0.006","9.2961","0.0014","24.176","0.004","90","","125.372","0.002","90","","6752.3","1.9","173","2","173","2","","","","","","","Anne M. Reynolds","5","C 1 2/c 1","-C 2yc","15","04300","(PhMe)LiPr2CuO2","","- C32 H41 Cu N2 O2 -","- C32 H41 Cu N2 O2 -","- C256 H328 Cu8 N16 O16 -","8","1","","Anne M. Reynolds; Benjamin F. Gherman; Christopher J. Cramer; William B. Tolman","Characterization of a 1:1 Cu-O2 Adduct Supported by an Anilido Imine Ligand","Inorganic Chemistry","2005","44","","6989","6997","10.1021/ic050280p","","","0.71073","MoKα","","0.0768","0.0446","","","0.1014","0.1102","","","","","","0.973","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309635","10.3187","0.001","13.6651","0.0014","16.1419","0.0016","102.047","0.008","108.58","0.009","99.147","0.008","2046.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H43 N8 O13 P3 Zn2 -","- C36 H41 N8 O13 P3 Zn2 -","- C72 H82 N16 O26 P6 Zn4 -","2","1","","Jian Fan; Brian E. Hanson","Novel Zinc Phosphate Topologies Defined by Organic Ligands","Inorganic Chemistry","2005","44","","6998","7008","10.1021/ic050314t","","x-ray","0.71073","MoKα","","0.0767","0.0613","","","0.1452","0.1543","","","","","","0.939","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309636","9.0382","0.0009","13.6616","0.001","13.7094","0.0009","99.997","0.006","101.158","0.007","108.14","0.008","1527.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 N6 O10 P2 Zn2 -","- C27 H29 N6 O10 P2 Zn2 -","- C54 H58 N12 O20 P4 Zn4 -","2","1","","Jian Fan; Brian E. Hanson","Novel Zinc Phosphate Topologies Defined by Organic Ligands","Inorganic Chemistry","2005","44","","6998","7008","10.1021/ic050314t","","x-ray","0.71073","MoKα","","0.0525","0.0475","","","0.1263","0.1319","","","","","","1.068","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309637","14.941","0.001","14.6445","0.0007","15.8209","0.0011","90","","109.503","0.006","90","","3263.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N8 O16 P4 Zn3 -","- C22 H28 N8 O16 P4 Zn3 -","- C88 H112 N32 O64 P16 Zn12 -","4","1","","Jian Fan; Brian E. Hanson","Novel Zinc Phosphate Topologies Defined by Organic Ligands","Inorganic Chemistry","2005","44","","6998","7008","10.1021/ic050314t","","x-ray","0.71073","MoKα","","0.0588","0.0388","","","0.103","0.1236","","","","","","0.825","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309638","8.762","0.0007","28.368","0.003","8.7638","0.0007","90","","90","","90","","2178.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H9 N2 O4 P Zn -","- C9 H9 N2 O4 P Zn -","- C72 H72 N16 O32 P8 Zn8 -","8","1","","Jian Fan; Brian E. Hanson","Novel Zinc Phosphate Topologies Defined by Organic Ligands","Inorganic Chemistry","2005","44","","6998","7008","10.1021/ic050314t","","x-ray","0.71073","MoKα","","0.0662","0.0608","","","0.1117","0.1146","","","","","","1.287","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309639","19.715","0.003","8.4865","0.001","9.9938","0.001","90","","95.485","0.009","90","","1664.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N2 O4 P Zn -","- C18 H15 N2 O4 P Zn -","- C72 H60 N8 O16 P4 Zn4 -","4","1","","Jian Fan; Brian E. Hanson","Novel Zinc Phosphate Topologies Defined by Organic Ligands","Inorganic Chemistry","2005","44","","6998","7008","10.1021/ic050314t","","x-ray","0.71073","MoKα","","0.0848","0.0689","","","0.1536","0.1648","","","","","","1.164","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309640","5.2956","0.0006","20.243","0.002","7.5816","0.0009","90","","100.041","0.01","90","","800.29","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N2 O4 P Zn -","- C6 H6 N2 O4 P Zn -","- C24 H24 N8 O16 P4 Zn4 -","4","1","","Jian Fan; Brian E. Hanson","Novel Zinc Phosphate Topologies Defined by Organic Ligands","Inorganic Chemistry","2005","44","","6998","7008","10.1021/ic050314t","","x-ray","0.71073","MoKα","","0.0512","0.037","","","0.0863","0.094","","","","","","1.049","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309641","23.7408","0.0006","61.7408","0.0016","13.9414","0.0004","90","","90","","90","","20435","0.9","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C62.5 H45 F6 Fe N8 O1.5 -","- C62.5 H45 F6 Fe N8 O1.5 -","- C1000 H720 F96 Fe16 N128 O24 -","16","1","","Eunsuk Kim; Matthew E. Helton; Shen Lu; Pierre Moënne-Loccoz; Christopher D. Incarvito; Arnold L. Rheingold; Susan Kaderli; Andreas D. Zuberbühler; Kenneth D. Karlin","Tridentate Copper Ligand Influences on Heme-Peroxo-Copper Formation and Properties: Reduced, Superoxo, and μ-Peroxo Iron/Copper Complexes","Inorganic Chemistry","2005","44","","7014","7029","10.1021/ic050446m","","","0.71073","MoKα","","0.0731","0.0445","","","0.1023","0.1148","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309642","29.858","0.002","11.1802","0.0008","17.2993","0.0012","90","","125.186","0.001","90","","4719.7","0.6","293","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","tetra(5,5-dimethylhydantoinato)aurate","","","- C30 H60 Au Cl N12 Na2 O20 -","- C30 H45 Au Cl N12 Na2 O20 -","- C120 H180 Au4 Cl4 N48 Na8 O80 -","4","1","","Kenichi Oyaizu; Yutaka Ohtani; Asako Shiozawa; Kenji Sugawara; Takashi Saito; Makoto Yuasa","Highly Stable Gold(III) Complex with a Hydantoin Ligand in Alkaline Media","Inorganic Chemistry","2005","44","","6915","6917","10.1021/ic050515x","","","0.71073","MoKα","","0.0471","0.0378","","","0.0932","0.0958","","","","","","1.006","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309643","10.7492","0.0003","7.3125","0.0002","7.4387","0.0002","90","","90","","90","","584.71","0.03","220","2","220","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- O7 Ru Sm3 -","- O7 Ru Sm3 -","- O28 Ru4 Sm12 -","4","0.25","","William R. Gemmill; Mark D. Smith; Yurij A. Mozharivsky; Gordon J. Miller; Hans-Conrad zur Loye","Crystal Growth, Structural Transitions, and Magnetic Properties of the Fluorite-Related Osmates: Sm3OsO7, Eu3OsO7, and Gd3OsO7","Inorganic Chemistry","2005","44","","7047","7055","10.1021/ic0506106","","","0.71073","MoKα","","0.02","0.0191","","","0.0482","0.0487","","","","","","1.124","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309644","10.7412","0.0003","14.6661","0.0004","7.4154","0.0002","90","","90","","90","","1168.16","0.06","150","2","150","2","","","","","","","","3","P 21 n b","P -2bc 2a","33","","","","- O7 Ru Sm3 -","- O7 Ru Sm3 -","- O56 Ru8 Sm24 -","8","2","","William R. Gemmill; Mark D. Smith; Yurij A. Mozharivsky; Gordon J. Miller; Hans-Conrad zur Loye","Crystal Growth, Structural Transitions, and Magnetic Properties of the Fluorite-Related Osmates: Sm3OsO7, Eu3OsO7, and Gd3OsO7","Inorganic Chemistry","2005","44","","7047","7055","10.1021/ic0506106","","","0.71073","MoKα","","0.0309","0.0279","","","0.0561","0.0579","","","","","","1.115","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309645","10.6926","0.0005","7.3087","0.0003","7.4107","0.0003","90","","90","","90","","579.14","0.04","294","2","294","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu3 O7 Ru -","- Eu3 O7 Ru -","- Eu12 O28 Ru4 -","4","0.25","","William R. Gemmill; Mark D. Smith; Yurij A. Mozharivsky; Gordon J. Miller; Hans-Conrad zur Loye","Crystal Growth, Structural Transitions, and Magnetic Properties of the Fluorite-Related Osmates: Sm3OsO7, Eu3OsO7, and Gd3OsO7","Inorganic Chemistry","2005","44","","7047","7055","10.1021/ic0506106","","","0.71073","MoKα","","0.03","0.0264","","","0.0546","0.0559","","","","","","1.176","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309646","10.6783","0.0003","14.6397","0.0004","7.3823","0.0002","90","","90","","90","","1154.05","0.05","150","2","150","2","","","","","","","","3","P 21 n b","P -2bc 2a","33","","","","- Eu3 O7 Ru -","- Eu3 O7 Ru -","- Eu24 O56 Ru8 -","8","2","","William R. Gemmill; Mark D. Smith; Yurij A. Mozharivsky; Gordon J. Miller; Hans-Conrad zur Loye","Crystal Growth, Structural Transitions, and Magnetic Properties of the Fluorite-Related Osmates: Sm3OsO7, Eu3OsO7, and Gd3OsO7","Inorganic Chemistry","2005","44","","7047","7055","10.1021/ic0506106","","","0.71073","MoKα","","0.0393","0.0355","","","0.0817","0.0841","","","","","","1.079","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309647","16.33","0.012","22.908","0.016","13.866","0.01","90","","90.317","0.013","90","","5187","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H76 N16 Ni4 O2 -","- C40 H74 N16 Ni4 O2 -","- C160 H296 N64 Ni16 O8 -","4","1","","Long Jiang; Tong-Bu Lu; Xiao-Long Feng","Two Supramolecular Isomers of Molecular Squares and 1D Helical Chains with Alternating Right- and Left-Handed Chirality","Inorganic Chemistry","2005","44","","7056","7062","10.1021/ic050626w","","","0.71073","MoKα","","0.1231","0.0659","","","0.1574","0.1942","","","","","","1.051","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309648","8.636","0.003","13.335","0.004","19.179","0.006","90","","90","","90","","2208.7","1.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H40 N6 Ni O2 -","- C18 H40 N6 Ni O2 -","- C72 H160 N24 Ni4 O8 -","4","1","","Long Jiang; Tong-Bu Lu; Xiao-Long Feng","Two Supramolecular Isomers of Molecular Squares and 1D Helical Chains with Alternating Right- and Left-Handed Chirality","Inorganic Chemistry","2005","44","","7056","7062","10.1021/ic050626w","","","0.71073","MoKα","","0.0625","0.0402","","","0.0981","0.1082","","","","","","1.085","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309649","9.9619","0.0019","10.368","0.002","28.389","0.006","90","","91.548","0.004","90","","2931.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H45 N8 Ni2 O4.5 -","- C20 H45 N8 Ni2 O4.5 -","- C80 H180 N32 Ni8 O18 -","4","1","","Long Jiang; Tong-Bu Lu; Xiao-Long Feng","Two Supramolecular Isomers of Molecular Squares and 1D Helical Chains with Alternating Right- and Left-Handed Chirality","Inorganic Chemistry","2005","44","","7056","7062","10.1021/ic050626w","","","0.71073","MoKα","","0.0652","0.0373","","","0.0903","0.1101","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309650","8.9692","0.0003","15.1424","0.0005","15.7846","0.0005","69.819","0.001","86.037","0.001","89.055","0.001","2007.3","0.11","100","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H57 Cu1.5 Mo N17 O6 -","- C29 H51 Cu1.5 Mo N17 O6 -","- C58 H102 Cu3 Mo2 N34 O12 -","2","1","","Young Sin You; Jung Hee Yoon; Jeong Hak Lim; Hyoung Chan Kim; Chang Seop Hong","Cyano-Bridged CuII-MV (M = Mo, W) Bimetallic Layered Complexes Exhibiting Novel Honeycomblike Structures","Inorganic Chemistry","2005","44","","7063","7069","10.1021/ic050634c","","","0.71073","MoKα","","0.1044","0.0569","","","0.1308","0.1499","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309651","9.022","0.0005","15.2639","0.0009","15.816","0.0009","69.52","0.002","85.966","0.002","89.063","0.002","2035.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H57 Cu1.5 N17 O6 W -","- C29 H51 Cu1.5 N17 O6 W -","- C58 H102 Cu3 N34 O12 W2 -","2","1","","Young Sin You; Jung Hee Yoon; Jeong Hak Lim; Hyoung Chan Kim; Chang Seop Hong","Cyano-Bridged CuII-MV (M = Mo, W) Bimetallic Layered Complexes Exhibiting Novel Honeycomblike Structures","Inorganic Chemistry","2005","44","","7063","7069","10.1021/ic050634c","","","0.71073","MoKα","","0.0795","0.0431","","","0.0957","0.1062","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309652","10.2122","0.0004","11.4899","0.0004","15.7032","0.0006","87.195","0.001","87.701","0.001","66.531","0.001","1687.69","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 Fe2 La2 N20 O16 -","- C52 H64 Fe2 La2 N20 O16 -","- C52 H64 Fe2 La2 N20 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; Miquel Llunell; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetic Properties of Cyano-Bridged Ln3±M3+ Complexes. Part I: Trinuclear Complexes (Ln3+= La, Ce, Pr, Nd, Sm; M3+= FeLS, Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6939","6948","10.1021/ic050648i","","","0.71073","MoKα","","0.0232","0.0211","","","0.0563","0.0574","","","","","","1.037","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309653","10.1999","0.0005","11.4896","0.0005","15.66","0.0007","87.165","0.001","87.692","0.001","66.409","0.001","1679.38","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 Ce2 Fe2 N20 O16 -","- C52 H64 Ce2 Fe2 N20 O16 -","- C52 H64 Ce2 Fe2 N20 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; Miquel Llunell; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetic Properties of Cyano-Bridged Ln3±M3+ Complexes. Part I: Trinuclear Complexes (Ln3+= La, Ce, Pr, Nd, Sm; M3+= FeLS, Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6939","6948","10.1021/ic050648i","","","0.71073","MoKα","","0.0274","0.0232","","","0.058","0.0597","","","","","","1.005","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309654","10.1882","0.0005","11.4854","0.0006","15.637","0.0008","87.157","0.001","87.596","0.001","66.349","0.001","1673.53","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 Fe2 N20 O16 Pr2 -","- C52 H64 Fe2 N20 O16 Pr2 -","- C52 H64 Fe2 N20 O16 Pr2 -","1","0.5","","Albert Figuerola; Joan Ribas; Miquel Llunell; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetic Properties of Cyano-Bridged Ln3±M3+ Complexes. Part I: Trinuclear Complexes (Ln3+= La, Ce, Pr, Nd, Sm; M3+= FeLS, Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6939","6948","10.1021/ic050648i","","","0.71073","MoKα","","0.0399","0.0294","","","0.0644","0.0678","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309655","10.1849","0.0013","11.4934","0.0014","15.618","0.002","87.131","0.002","87.587","0.002","66.321","0.002","1671.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 Fe2 N20 Nd2 O16 -","- C52 H64 Fe2 N20 Nd2 O16 -","- C52 H64 Fe2 N20 Nd2 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; Miquel Llunell; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetic Properties of Cyano-Bridged Ln3±M3+ Complexes. Part I: Trinuclear Complexes (Ln3+= La, Ce, Pr, Nd, Sm; M3+= FeLS, Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6939","6948","10.1021/ic050648i","","","0.71073","MoKα","","0.0276","0.0231","","","0.0578","0.0597","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309656","10.2305","0.0005","11.519","0.0006","15.6614","0.0007","87.009","0.001","87.742","0.001","66.525","0.001","1690.21","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 Ce2 Co2 N20 O16 -","- C52 H64 Ce2 Co2 N20 O16 -","- C52 H64 Ce2 Co2 N20 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; Miquel Llunell; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetic Properties of Cyano-Bridged Ln3±M3+ Complexes. Part I: Trinuclear Complexes (Ln3+= La, Ce, Pr, Nd, Sm; M3+= FeLS, Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6939","6948","10.1021/ic050648i","","","0.71073","MoKα","","0.0292","0.0236","","","0.0549","0.0577","","","","","","1.033","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309657","10.1529","0.0018","11.443","0.002","15.481","0.003","86.955","0.003","87.608","0.003","66.418","0.003","1645.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 Co2 N20 Nd2 O16 -","- C52 H64 Co2 N20 Nd2 O16 -","- C52 H64 Co2 N20 Nd2 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; Miquel Llunell; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetic Properties of Cyano-Bridged Ln3±M3+ Complexes. Part I: Trinuclear Complexes (Ln3+= La, Ce, Pr, Nd, Sm; M3+= FeLS, Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6939","6948","10.1021/ic050648i","","","0.71073","MoKα","","0.0334","0.0274","","","0.0721","0.0758","","","","","","0.966","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309658","10.1612","0.0013","11.4376","0.0015","15.524","0.002","86.931","0.002","87.685","0.002","66.436","0.002","1651","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 Co2 N20 O16 Pr2 -","- C52 H64 Co2 N20 O16 Pr2 -","- C52 H64 Co2 N20 O16 Pr2 -","1","0.5","","Albert Figuerola; Joan Ribas; Miquel Llunell; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetic Properties of Cyano-Bridged Ln3±M3+ Complexes. Part I: Trinuclear Complexes (Ln3+= La, Ce, Pr, Nd, Sm; M3+= FeLS, Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6939","6948","10.1021/ic050648i","","","0.71073","MoKα","","0.0223","0.0196","","","0.0495","0.0506","","","","","","1.054","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309659","10.095","0.001","11.39","0.001","15.48","0.001","86.997","0.001","87.38","0.001","66.456","0.001","1628.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Co N10 O8 Sm -","- C26 H32 Co N10 O8 Sm -","- C52 H64 Co2 N20 O16 Sm2 -","2","1","","Albert Figuerola; Joan Ribas; Miquel Llunell; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetic Properties of Cyano-Bridged Ln3±M3+ Complexes. Part I: Trinuclear Complexes (Ln3+= La, Ce, Pr, Nd, Sm; M3+= FeLS, Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6939","6948","10.1021/ic050648i","","","0.71073","MoKα","","0.0357","0.029","","","0.072","0.0746","","","","","","0.995","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309660","10.678","0.001","14.646","0.001","18.326","0.001","109.106","0.002","98.516","0.002","106.3","0.001","2506.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[bis(μ-(4-hydroxy-butyric acid-O,O"")-bis(μ~2~- (tetraphenylimidophosphinato-O,O,O'))-(tetraphenylimidophosphinato- O,O')-dibarium","","- C104 H96 Ba2 N4 O14 P8 -","- C104 H96 Ba2 N4 O14 P8 -","- C104 H96 Ba2 N4 O14 P8 -","1","0.5","","Jesús Morales-Juárez; Raymundo Cea-Olivares; Mónica M. Moya-Cabrera; Vojtech Jancik; Verónica García-Montalvo; Rubén A. Toscano","Oxidative Degradation of Ethers Promoted by Strontium and Barium Tetraphenylimidodiphosphinates","Inorganic Chemistry","2005","44","","6924","6926","10.1021/ic050724h","","","0.71073","MoKα","","0.1562","0.0591","","","0.0962","0.1309","","","","","","1.005","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309661","13.76","0.001","14.015","0.001","14.379","0.001","81.482","0.001","65.576","0.002","82.575","0.001","2489.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[bis(μ-(Methoxyacetic acid-O,O"")-bis(μ~2~-(tetraphenylimido phosphinato-O,O'))-bis(tetraphenylimidophosphinato-O,O')]-distrontium","","- C102 H92 N4 O14 P8 Sr2 -","- C102 H92 N4 O14 P8 Sr2 -","- C102 H92 N4 O14 P8 Sr2 -","1","0.5","","Jesús Morales-Juárez; Raymundo Cea-Olivares; Mónica M. Moya-Cabrera; Vojtech Jancik; Verónica García-Montalvo; Rubén A. Toscano","Oxidative Degradation of Ethers Promoted by Strontium and Barium Tetraphenylimidodiphosphinates","Inorganic Chemistry","2005","44","","6924","6926","10.1021/ic050724h","","","0.71073","MoKα","","0.1547","0.0559","","","0.0654","0.0746","","","","","","0.989","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4309662","13.126","0.0008","14.7812","0.0008","24.6345","0.0014","90","","90","","90","","4779.5","0.5","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 P2 Pt S2 -","- C58 H54 P2 Pt S2 -","- C232 H216 P8 Pt4 S8 -","4","1","","José Vicente; Pablo González-Herrero; María Pérez-Cadenas; Peter G. Jones; Delia Bautista","(Fluoren-9-ylidene)methanedithiolato Complexes of Platinum: Synthesis, Reactivity, and Luminescence1","Inorganic Chemistry","2005","44","","7200","7213","10.1021/ic050748o","","","0.71073","MoKα","","0.0256","0.0193","","","0.039","0.0405","","","","","","0.994","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309663","8.1462","0.0004","17.0641","0.0009","24.0539","0.0013","90","","90","","90","","3343.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 Cl2 N2 O2 Pt S2 -","- C35 H35 Cl2 N2 O2 Pt S2 -","- C140 H140 Cl8 N8 O8 Pt4 S8 -","4","1","","José Vicente; Pablo González-Herrero; María Pérez-Cadenas; Peter G. Jones; Delia Bautista","(Fluoren-9-ylidene)methanedithiolato Complexes of Platinum: Synthesis, Reactivity, and Luminescence1","Inorganic Chemistry","2005","44","","7200","7213","10.1021/ic050748o","","","0.71073","MoKα","","0.0283","0.0279","","","0.0668","0.067","","","","","","1.177","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309664","18.489","0.003","18.634","0.003","19.573","0.003","99.389","0.004","94.922","0.004","108.726","0.003","6231.6","1.7","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C136 H136 Cl4 P2 Pt2 S8 -","- C138 Cl4 P2 Pt2 S8 -","- C276 Cl8 P4 Pt4 S16 -","2","1","","José Vicente; Pablo González-Herrero; María Pérez-Cadenas; Peter G. Jones; Delia Bautista","(Fluoren-9-ylidene)methanedithiolato Complexes of Platinum: Synthesis, Reactivity, and Luminescence1","Inorganic Chemistry","2005","44","","7200","7213","10.1021/ic050748o","","","0.71073","MoKα","","0.1695","0.1299","","","0.3624","0.3706","","","","","","2.196","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309665","11.1285","0.0003","11.7383","0.0004","14.7611","0.0002","87.7231","0.0016","70.8954","0.0014","67.5294","0.0012","1675.63","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Cl2 N5 Ni O9 -","- C35 H35 Cl2 N5 Ni O9 -","- C70 H70 Cl4 N10 Ni2 O18 -","2","1","","Katarzyna Rudzka; Atta M. Arif; Lisa M. Berreau","Chemistry of a Ni(II) Acetohydroxamic Acid Complex: Formation, Reactivity with Water, and Attempted Preparation of Zinc and Cobalt Analogues","Inorganic Chemistry","2005","44","","7234","7242","10.1021/ic0508122","","","0.71073","MoKα","","0.0433","0.0332","","","0.074","0.0793","","","","","","1.043","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309666","11.1799","0.0003","11.8178","0.0002","14.6539","0.0004","86.8463","0.0015","70.8582","0.0012","67.8369","0.0013","1688.68","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Cl2 N5 O9 Zn -","- C35 H35 Cl2 N5 O9 Zn -","- C70 H70 Cl4 N10 O18 Zn2 -","2","1","","Katarzyna Rudzka; Atta M. Arif; Lisa M. Berreau","Chemistry of a Ni(II) Acetohydroxamic Acid Complex: Formation, Reactivity with Water, and Attempted Preparation of Zinc and Cobalt Analogues","Inorganic Chemistry","2005","44","","7234","7242","10.1021/ic0508122","","","0.71073","MoKα","","0.0628","0.0417","","","0.0852","0.0952","","","","","","1.071","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309667","11.1919","0.0002","11.7809","0.0002","14.6419","0.0003","86.6445","0.0013","70.8059","0.0011","67.9376","0.0011","1685.06","0.06","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Cl2 Co N5 O9 -","- C35 H35 Cl2 Co N5 O9 -","- C70 H70 Cl4 Co2 N10 O18 -","2","1","","Katarzyna Rudzka; Atta M. Arif; Lisa M. Berreau","Chemistry of a Ni(II) Acetohydroxamic Acid Complex: Formation, Reactivity with Water, and Attempted Preparation of Zinc and Cobalt Analogues","Inorganic Chemistry","2005","44","","7234","7242","10.1021/ic0508122","","","0.71073","MoKα","","0.0565","0.0384","","","0.0786","0.0878","","","","","","1.07","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309668","14.3827","0.0019","14.3827","0.0019","19.992","0.004","90","","90","","120","","3581.5","1","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C24 H81 N6 O48 P12 Ru6 -","- C24 H81.012 N6 O48.002 P12 Ru6 -","- C48 H162.024 N12 O96.004 P24 Ru12 -","2","0.166667","","Bin Liu; Yi-Zhi Li; Li-Min Zheng","Mixed-Valent Diruthenium Diphosphonate with Kagomé Structure","Inorganic Chemistry","2005","44","","6921","6923","10.1021/ic050821a","","","0.71073","MoKα","","0.0696","0.045","","","0.0755","0.0793","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309669","8.7205","0.0006","18.799","0.001","20.008","0.002","99.49","0.01","90.83","0.01","91.99","0.01","3232.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H47 Fe N4 P -","- C36 H47 Fe N4 P -","- C144 H188 Fe4 N16 P4 -","4","2","","Krzysztof Chłopek; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Five-Coordinate Complexes of Iron(II/III) Containingo-Diiminobenzosemiquinonate(1-) π Radical Ligands","Inorganic Chemistry","2005","44","","7087","7098","10.1021/ic050829k","","","0.71073","MoKα","","0.0915","0.0534","","","0.0924","0.1053","","","","","","1.074","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309670","11.5157","0.0003","19.7687","0.0003","16.9228","0.0003","90","","106.98","0.01","90","","3684.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 F6 Fe N4 P2 -","- C36 H47 F6 Fe N4 P2 -","- C144 H188 F24 Fe4 N16 P8 -","4","1","","Krzysztof Chłopek; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Five-Coordinate Complexes of Iron(II/III) Containingo-Diiminobenzosemiquinonate(1-) π Radical Ligands","Inorganic Chemistry","2005","44","","7087","7098","10.1021/ic050829k","","","0.71073","MoKα","","0.0495","0.035","","0.0831","0.077","","","","1.024","1.059","1.059","","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309671","8.8303","0.0003","8.9151","0.0003","32.2025","0.0008","90","","90","","90","","2535.08","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Fe I N4 O -","- C28 H28 Fe I N4 O -","- C112 H112 Fe4 I4 N16 O4 -","4","1","","Krzysztof Chłopek; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Five-Coordinate Complexes of Iron(II/III) Containingo-Diiminobenzosemiquinonate(1-) π Radical Ligands","Inorganic Chemistry","2005","44","","7087","7098","10.1021/ic050829k","","","0.71073","MoKα","","0.0332","0.0286","","","0.0599","0.0617","","","","","","1.042","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309672","9.7055","0.0003","10.1735","0.0003","13.8527","0.0006","85.01","0.01","71.42","0.01","75.98","0.01","1257.82","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 Fe N5 -","- C31 H31 Fe N5 -","- C62 H62 Fe2 N10 -","2","1","","Krzysztof Chłopek; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Five-Coordinate Complexes of Iron(II/III) Containingo-Diiminobenzosemiquinonate(1-) π Radical Ligands","Inorganic Chemistry","2005","44","","7087","7098","10.1021/ic050829k","","","0.71073","MoKα","","0.0636","0.0579","","0.1426","0.139","","","","1.047","1.075","1.075","","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309673","10.4433","0.0003","17.7647","0.0006","17.0145","0.0006","90","","98.334","0.005","90","","3123.23","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H31 Fe N6 -","- C39 H31 Fe N6 -","- C156 H124 Fe4 N24 -","4","1","","Krzysztof Chłopek; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Five-Coordinate Complexes of Iron(II/III) Containingo-Diiminobenzosemiquinonate(1-) π Radical Ligands","Inorganic Chemistry","2005","44","","7087","7098","10.1021/ic050829k","","","0.71073","MoKα","","0.0566","0.0434","","0.1","0.0934","","","","1.075","1.111","1.111","","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309674","10.0549","0.0004","13.2152","0.0008","18.2622","0.001","90.92","0.01","104.33","0.01","100.85","0.01","2304.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H58 Fe N6 -","- C56 H58 Fe N6 -","- C112 H116 Fe2 N12 -","2","1","","Krzysztof Chłopek; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Five-Coordinate Complexes of Iron(II/III) Containingo-Diiminobenzosemiquinonate(1-) π Radical Ligands","Inorganic Chemistry","2005","44","","7087","7098","10.1021/ic050829k","","","0.71073","MoKα","","0.101","0.0668","","","0.1312","0.1467","","","","","","1.029","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309675","8.1962","0.0006","10.7105","0.0009","13.3665","0.0012","68.48","0.01","73","0.01","85.1","0.01","1043.57","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cl N4 O4 -","- C24 H19 Cl N4 O4 -","- C48 H38 Cl2 N8 O8 -","2","1","","Krzysztof Chłopek; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Five-Coordinate Complexes of Iron(II/III) Containingo-Diiminobenzosemiquinonate(1-) π Radical Ligands","Inorganic Chemistry","2005","44","","7087","7098","10.1021/ic050829k","","","0.71073","MoKα","","0.0569","0.0397","","0.0956","0.086","","","","1.04","1.076","1.076","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309676","7.2157","0.0004","11.5439","0.0006","7.3909","0.0004","90","","101.296","0.001","90","","603.72","0.06","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","hydrazine zinc telluride - alpha phase","hydrazine zinc telluride","","- H8 N4 Te Zn -","- H8 N4 Te Zn -","- H32 N16 Te4 Zn4 -","4","2","","David B. Mitzi","Polymorphic One-Dimensional (N2H4)2ZnTe: Soluble Precursors for the Formation of Hexagonal or Cubic Zinc Telluride","Inorganic Chemistry","2005","44","","7078","7086","10.1021/ic050833w","","","0.7093","MolybdenumKα","","0.015","0.015","","0.019","0.019","","","","","0.95","0.95","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309677","8.1301","0.0005","6.958","0.0005","10.738","0.0007","90","","91.703","0.001","90","","607.17","0.07","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","hydrazine zinc telluride - beta phase","","","- H8 N4 Te Zn -","- H8 N4.5 Te Zn -","- H32 N18 Te4 Zn4 -","4","2","","David B. Mitzi","Polymorphic One-Dimensional (N2H4)2ZnTe: Soluble Precursors for the Formation of Hexagonal or Cubic Zinc Telluride","Inorganic Chemistry","2005","44","","7078","7086","10.1021/ic050833w","","","0.7093","MolybdenumKα","","0.015","0.015","","0.019","0.019","","","","","0.78","0.78","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309678","12.0784","0.0008","7.0847","0.0005","13.1862","0.0009","90","","111.19","0.001","90","","1052.07","0.12","295","2","295","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H20 Cu F12 N2 O2 -","- C14 H20 Cu F12 N2 O2 -","- C28 H40 Cu2 F24 N4 O4 -","2","0.5","","Eddy Lay; Yi-Hwa Song; Yuan-Chieh Chiu; Yang-Miin Lin; Yun Chi; Arthur J. Carty; Shie-Ming Peng; Gene-Hsiang Lee","New CVD Precursors Capable of Depositing Copper Metal under Mixed O2/Ar Atmosphere","Inorganic Chemistry","2005","44","","7226","7233","10.1021/ic050845h","","","0.71073","MoKα","","0.0542","0.048","","","0.1286","0.1334","","","","","","1.073","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309679","28.705","0.006","27.685","0.006","29.579","0.006","90","","106.41","0.03","90","","22549","9","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H144 Co4 N4 O16 P4 Si8 -","- C73.5 H144 Co4 N4 O16 P4 Si8 -","- C588 H1152 Co32 N32 O128 P32 Si64 -","8","2","","Umesh N. Nehete; Herbert W. Roesky; Hongping Zhu; Sharanappa Nembenna; Hans-Georg Schmidt; Mathias Noltemeyer; Dmitrij Bogdanov; Konrad Samwer","Polyhedral Cobalt(II) and Iron(II) Siloxanes: Synthesis and X-ray Crystal Structure of [(RSi(OH)O2)Co(OPMe3)]4 and [(RSiO3)2(RSi(OH)O2)4(μ3-OH)2Fe8(THF)4] (R = (2,6-iPr2C6H3)N(SiMe3))","Inorganic Chemistry","2005","44","","7243","7248","10.1021/ic050859n","","","0.71073","MoKα","","0.2562","0.0676","","","0.1319","0.1844","","","","","","0.697","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309680","16.129","0.0013","16.7869","0.0013","17.4643","0.0014","61.551","0.004","81.352","0.005","86.545","0.005","4109.9","0.6","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H236 Fe8 N6 O24 Si12 -","- C148 H236 Fe8 N6 O24 Si12 -","- C148 H236 Fe8 N6 O24 Si12 -","1","0.5","","Umesh N. Nehete; Herbert W. Roesky; Hongping Zhu; Sharanappa Nembenna; Hans-Georg Schmidt; Mathias Noltemeyer; Dmitrij Bogdanov; Konrad Samwer","Polyhedral Cobalt(II) and Iron(II) Siloxanes: Synthesis and X-ray Crystal Structure of [(RSi(OH)O2)Co(OPMe3)]4 and [(RSiO3)2(RSi(OH)O2)4(μ3-OH)2Fe8(THF)4] (R = (2,6-iPr2C6H3)N(SiMe3))","Inorganic Chemistry","2005","44","","7243","7248","10.1021/ic050859n","","","0.71073","MoKα","","0.1466","0.0693","","","0.123","0.1433","","","","","","0.927","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309681","25.671","0.0004","24.8786","0.0004","17.9867","0.0003","90","","105.5","0.01","90","","11069.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H69 F6 Fe N3 O3 -","- C60 H69 F6 Fe N3 O3 -","- C480 H552 F48 Fe8 N24 O24 -","8","1","","Soumen Mukherjee; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt; Phalguni Chaudhuri","Tuning of Spin Transition in Radical-Containing Iron(III) Complexes by Remote Ligand Substituents","Inorganic Chemistry","2005","44","","7099","7108","10.1021/ic050885l","","","0.71073","MoKα","","0.0458","0.0384","","","0.0946","0.0989","","","","","","1.038","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309682","16.656","0.002","14.648","0.002","33.433","0.003","90","","97.32","0.01","90","","8090.4","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H123 Fe N3 O3 -","- C84 H123 Fe N3 O3 -","- C336 H492 Fe4 N12 O12 -","4","1","","Soumen Mukherjee; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt; Phalguni Chaudhuri","Tuning of Spin Transition in Radical-Containing Iron(III) Complexes by Remote Ligand Substituents","Inorganic Chemistry","2005","44","","7099","7108","10.1021/ic050885l","","","0.71073","MoKα","","0.069","0.0485","","","0.1093","0.1195","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309683","17.0012","0.0008","14.8159","0.0006","33.897","0.002","90","","96.76","0.01","90","","8478.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H123 Fe N3 O3 -","- C84 H123 Fe N3 O3 -","- C336 H492 Fe4 N12 O12 -","4","1","","Soumen Mukherjee; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt; Phalguni Chaudhuri","Tuning of Spin Transition in Radical-Containing Iron(III) Complexes by Remote Ligand Substituents","Inorganic Chemistry","2005","44","","7099","7108","10.1021/ic050885l","","","0.71073","MoKα","","0.1024","0.0688","","","0.1563","0.1748","","","","","","1.023","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309684","5.2239","0.0013","10.145","0.003","25.113","0.006","90","","91.289","0.005","90","","1330.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Rohith P. John; Kyungjae Lee; Beom Jin Kim; Byoung Jin Suh; Hackjune Rhee; Myoung Soo Lah","Modulation of the Ring Size and Nuclearity of Metallamacrocycles via the Steric Effect of Ligands: Preparation and Characterization of 18-Membered Hexanuclear, 24-Membered Octanuclear, and 30-Membered Decanuclear Manganese Metalladiazamacrocycles with α- and β-Branched N-Acylsalicylhydrazides","Inorganic Chemistry","2005","44","","7109","7121","10.1021/ic050891h","","","0.71073","MoKα","","0.1108","0.0481","","","0.0992","0.1241","","","","","","0.973","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309685","18.1966","0.0007","18.1966","0.0007","31.898","0.003","90","","90","","120","","9146.9","1","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16 H25 Mn N2 O5 S2 -","- C16 H25 Mn N2 O5 S2 -","- C288 H450 Mn18 N36 O90 S36 -","18","1","","Rohith P. John; Kyungjae Lee; Beom Jin Kim; Byoung Jin Suh; Hackjune Rhee; Myoung Soo Lah","Modulation of the Ring Size and Nuclearity of Metallamacrocycles via the Steric Effect of Ligands: Preparation and Characterization of 18-Membered Hexanuclear, 24-Membered Octanuclear, and 30-Membered Decanuclear Manganese Metalladiazamacrocycles with α- and β-Branched N-Acylsalicylhydrazides","Inorganic Chemistry","2005","44","","7109","7121","10.1021/ic050891h","","","0.71073","MoKα","","0.0568","0.0497","","","0.13","0.1382","","","","","","1.038","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309686","14.517","0.002","15.045","0.003","15.957","0.003","62.116","0.003","81.716","0.003","85.744","0.003","3048.3","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H126 Mn6 N12 O28 S10 -","- C110 H126 Mn6 N12 O28 S10 -","- C110 H126 Mn6 N12 O28 S10 -","1","0.5","","Rohith P. John; Kyungjae Lee; Beom Jin Kim; Byoung Jin Suh; Hackjune Rhee; Myoung Soo Lah","Modulation of the Ring Size and Nuclearity of Metallamacrocycles via the Steric Effect of Ligands: Preparation and Characterization of 18-Membered Hexanuclear, 24-Membered Octanuclear, and 30-Membered Decanuclear Manganese Metalladiazamacrocycles with α- and β-Branched N-Acylsalicylhydrazides","Inorganic Chemistry","2005","44","","7109","7121","10.1021/ic050891h","","","0.71073","MoKα","","0.1021","0.0548","","","0.116","0.1347","","","","","","1.01","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309687","18.4008","0.0016","18.4008","0.0016","64.805","0.011","90","","90","","120","","19003","4","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C17 H27 Mn N2 O5 S2 -","- C17 H27 Mn N2 O5 S2 -","- C612 H972 Mn36 N72 O180 S72 -","36","1","","Rohith P. John; Kyungjae Lee; Beom Jin Kim; Byoung Jin Suh; Hackjune Rhee; Myoung Soo Lah","Modulation of the Ring Size and Nuclearity of Metallamacrocycles via the Steric Effect of Ligands: Preparation and Characterization of 18-Membered Hexanuclear, 24-Membered Octanuclear, and 30-Membered Decanuclear Manganese Metalladiazamacrocycles with α- and β-Branched N-Acylsalicylhydrazides","Inorganic Chemistry","2005","44","","7109","7121","10.1021/ic050891h","","","0.71073","MoKα","","0.0661","0.0444","","","0.1145","0.137","","","","","","1.046","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309688","20.185","0.008","23.59","0.01","36.387","0.015","91.366","0.008","100.792","0.009","110.964","0.008","15815","11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C242 H387 Mn16 N32 O87.5 S32 -","- C242 H176 Mn16 N32 O87.5 S32 -","- C484 H352 Mn32 N64 O175 S64 -","2","1","","Rohith P. John; Kyungjae Lee; Beom Jin Kim; Byoung Jin Suh; Hackjune Rhee; Myoung Soo Lah","Modulation of the Ring Size and Nuclearity of Metallamacrocycles via the Steric Effect of Ligands: Preparation and Characterization of 18-Membered Hexanuclear, 24-Membered Octanuclear, and 30-Membered Decanuclear Manganese Metalladiazamacrocycles with α- and β-Branched N-Acylsalicylhydrazides","Inorganic Chemistry","2005","44","","7109","7121","10.1021/ic050891h","","","0.71073","MoKα","","0.2377","0.1193","","","0.2598","0.306","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309689","39.044","0.003","20.705","0.0017","28.139","0.002","90","","118.231","0.002","90","","20042","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C165 H235 Mn10 N35 O45 -","- C165 H234 Mn10 N35 O45 -","- C660 H936 Mn40 N140 O180 -","4","0.5","","Rohith P. John; Kyungjae Lee; Beom Jin Kim; Byoung Jin Suh; Hackjune Rhee; Myoung Soo Lah","Modulation of the Ring Size and Nuclearity of Metallamacrocycles via the Steric Effect of Ligands: Preparation and Characterization of 18-Membered Hexanuclear, 24-Membered Octanuclear, and 30-Membered Decanuclear Manganese Metalladiazamacrocycles with α- and β-Branched N-Acylsalicylhydrazides","Inorganic Chemistry","2005","44","","7109","7121","10.1021/ic050891h","","","0.71073","MoKα","","0.2326","0.0821","","","0.1958","0.2583","","","","","","0.855","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309690","39.187","0.005","20.494","0.005","28.283","0.005","90","0.005","118.755","0.005","90","0.005","19913","7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C168 H246 Mn10 N36 O48 -","- C167.1 H229.9 Mn10 N35.7 O46.86 -","- C668.4 H919.6 Mn40 N142.8 O187.44 -","4","0.5","","Rohith P. John; Kyungjae Lee; Beom Jin Kim; Byoung Jin Suh; Hackjune Rhee; Myoung Soo Lah","Modulation of the Ring Size and Nuclearity of Metallamacrocycles via the Steric Effect of Ligands: Preparation and Characterization of 18-Membered Hexanuclear, 24-Membered Octanuclear, and 30-Membered Decanuclear Manganese Metalladiazamacrocycles with α- and β-Branched N-Acylsalicylhydrazides","Inorganic Chemistry","2005","44","","7109","7121","10.1021/ic050891h","","","0.71069","MoKα","","0.313","0.1044","","","0.2527","0.3435","","","","","","0.911","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309691","21.43","0.014","25.11","0.015","22.833","0.013","90","","108.593","0.016","90","","11645","12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C215 H253.5 Mn10 N40 O40.5 -","- C214.77 H251.056 Mn10 N40 O39.274 -","- C429.54 H502.112 Mn20 N80 O78.548 -","2","0.5","","Rohith P. John; Kyungjae Lee; Beom Jin Kim; Byoung Jin Suh; Hackjune Rhee; Myoung Soo Lah","Modulation of the Ring Size and Nuclearity of Metallamacrocycles via the Steric Effect of Ligands: Preparation and Characterization of 18-Membered Hexanuclear, 24-Membered Octanuclear, and 30-Membered Decanuclear Manganese Metalladiazamacrocycles with α- and β-Branched N-Acylsalicylhydrazides","Inorganic Chemistry","2005","44","","7109","7121","10.1021/ic050891h","","","0.71073","MoKα","","0.2087","0.0915","","","0.2039","0.2557","","","","","","0.969","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309692","9.939","0.002","8.6219","0.0017","15.731","0.003","90","","90","","90","","1348","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H7 N2 O8 Sm -","- C14 H7 N2 O8 Sm -","- C56 H28 N8 O32 Sm4 -","4","0.5","","Chao Qin; Xin-Long Wang; En-Bo Wang; Zhong-Min Su","A Series of Three-Dimensional Lanthanide Coordination Polymers with Rutile and Unprecedented Rutile-Related Topologies","Inorganic Chemistry","2005","44","","7122","7129","10.1021/ic050906b","","","0.71073","MoKα","","0.0215","0.0172","","","0.0375","0.0391","","","","","","1.08","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309693","9.969","0.002","8.6644","0.0017","15.736","0.003","90","","90","","90","","1359.2","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H7 Eu N2 O8 -","- C14 H7 Eu N2 O8 -","- C56 H28 Eu4 N8 O32 -","4","0.5","","Chao Qin; Xin-Long Wang; En-Bo Wang; Zhong-Min Su","A Series of Three-Dimensional Lanthanide Coordination Polymers with Rutile and Unprecedented Rutile-Related Topologies","Inorganic Chemistry","2005","44","","7122","7129","10.1021/ic050906b","","","0.71073","MoKα","","0.025","0.0204","","","0.0407","0.0422","","","","","","1.073","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309694","9.932","0.002","8.6161","0.0017","15.717","0.003","90","","90","","90","","1345","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H7 Gd N2 O8 -","- C14 H7 Gd N2 O8 -","- C56 H28 Gd4 N8 O32 -","4","0.5","","Chao Qin; Xin-Long Wang; En-Bo Wang; Zhong-Min Su","A Series of Three-Dimensional Lanthanide Coordination Polymers with Rutile and Unprecedented Rutile-Related Topologies","Inorganic Chemistry","2005","44","","7122","7129","10.1021/ic050906b","","","0.71073","MoKα","","0.0198","0.0166","","","0.0338","0.0347","","","","","","1.095","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309695","9.2735","0.0019","14.244","0.003","10.579","0.002","90","","95.65","0.03","90","","1390.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N O7 Sm -","- C14 H10 N O7 Sm -","- C56 H40 N4 O28 Sm4 -","4","1","","Chao Qin; Xin-Long Wang; En-Bo Wang; Zhong-Min Su","A Series of Three-Dimensional Lanthanide Coordination Polymers with Rutile and Unprecedented Rutile-Related Topologies","Inorganic Chemistry","2005","44","","7122","7129","10.1021/ic050906b","","","0.71073","MoKα","","0.0319","0.0272","","","0.0557","0.0573","","","","","","1.072","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309696","9.2498","0.0018","14.169","0.003","10.514","0.002","90","","95.77","0.03","90","","1371","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Gd N O7 -","- C14 H10 Gd N O7 -","- C56 H40 Gd4 N4 O28 -","4","1","","Chao Qin; Xin-Long Wang; En-Bo Wang; Zhong-Min Su","A Series of Three-Dimensional Lanthanide Coordination Polymers with Rutile and Unprecedented Rutile-Related Topologies","Inorganic Chemistry","2005","44","","7122","7129","10.1021/ic050906b","","","0.71073","MoKα","","0.0326","0.0255","","","0.0478","0.0495","","","","","","1.084","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309697","14.8806","0.0004","14.8806","0.0004","23.7853","0.0007","90","","90","","90","","5266.8","0.3","150","1","150","1","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C84 H140 Cl12 O8 P8 Pt4 -","- C84 H140 Cl12 O8 P8 Pt4 -","- C168 H280 Cl24 O16 P16 Pt8 -","2","0.25","","Neeladri Das; Ashutosh Ghosh; Atta M. Arif; Peter J. Stang","Self-Assembly of Neutral Platinum-Based Supramolecular Ensembles Incorporating Oxocarbon Dianions and Oxalate","Inorganic Chemistry","2005","44","","7130","7137","10.1021/ic050919p","","","0.71073","MoKα","","0.0712","0.0485","","","0.0971","0.1087","","","","","","1.07","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309698","17.526","0.0003","14.8251","0.0003","18.8229","0.0003","90","","104.654","0.001","90","","4731.57","0.15","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H140 Cl4 O8 P8 Pt4 -","- C86 H140 Cl4 O8 P8 Pt4 -","- C172 H280 Cl8 O16 P16 Pt8 -","2","0.5","","Neeladri Das; Ashutosh Ghosh; Atta M. Arif; Peter J. Stang","Self-Assembly of Neutral Platinum-Based Supramolecular Ensembles Incorporating Oxocarbon Dianions and Oxalate","Inorganic Chemistry","2005","44","","7130","7137","10.1021/ic050919p","","","0.71073","MoKα","","0.0594","0.0396","","","0.0794","0.0867","","","","","","1.034","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309699","27.4052","0.0005","15.0715","0.0003","23.8497","0.0003","90","","99.2702","0.001","90","","9722.2","0.3","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H138 Cl6 O10 P8 Pt4 -","- C88 H138 Cl6 O10 P8 Pt4 -","- C352 H552 Cl24 O40 P32 Pt16 -","4","0.5","","Neeladri Das; Ashutosh Ghosh; Atta M. Arif; Peter J. Stang","Self-Assembly of Neutral Platinum-Based Supramolecular Ensembles Incorporating Oxocarbon Dianions and Oxalate","Inorganic Chemistry","2005","44","","7130","7137","10.1021/ic050919p","","","0.71073","MoKα","","0.0488","0.036","","","0.0845","0.092","","","","","","1.02","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309700","19.7622","0.0003","14.19","0.0002","19.9798","0.0002","90","","97.2834","0.0008","90","","5557.64","0.13","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H140 Cl12 O10 P8 Pt4 -","- C90 H140 Cl12 O10 P8 Pt4 -","- C180 H280 Cl24 O20 P16 Pt8 -","2","0.5","","Neeladri Das; Ashutosh Ghosh; Atta M. Arif; Peter J. Stang","Self-Assembly of Neutral Platinum-Based Supramolecular Ensembles Incorporating Oxocarbon Dianions and Oxalate","Inorganic Chemistry","2005","44","","7130","7137","10.1021/ic050919p","","","0.71073","MoKα","","0.0439","0.032","","","0.0738","0.0794","","","","","","1.031","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309701","17.378","0.006","15.932","0.005","26.895","0.008","90","","108.438","0.006","90","","7064","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Au2(tfepm)3Cl2","","- C39 H54 Au2 Cl2 F36 O15 P6 -","- C39 H54 Au2 Cl2 F36 O15 P6 -","- C156 H216 Au8 Cl8 F144 O60 P24 -","4","1","","Jillian L. Dempsey; Arthur J. Esswein; David R. Manke; Joel Rosenthal; Jake D. Soper; Daniel G. Nocera","Molecular Chemistry of Consequence to Renewable Energy","Inorganic Chemistry","2005","44","","6879","6892","10.1021/ic0509276","","","0.71073","MoKα","","0.0225","0.0209","","","0.0534","0.054","","","","","","1.152","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309702","26.651","0.004","13.2594","0.0018","18.991","0.003","90","","102.282","0.003","90","","6557.4","1.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Au(dppm)Rh(CNtBu)2Cl2","","- C63 H68 Au Cl8 N2 P4 Rh -","- C63 H68 Au Cl8 N2 P4 Rh -","- C252 H272 Au4 Cl32 N8 P16 Rh4 -","4","1","","Jillian L. Dempsey; Arthur J. Esswein; David R. Manke; Joel Rosenthal; Jake D. Soper; Daniel G. Nocera","Molecular Chemistry of Consequence to Renewable Energy","Inorganic Chemistry","2005","44","","6879","6892","10.1021/ic0509276","","","0.71073","MoKα","","0.0844","0.0683","","","0.1595","0.1661","","","","","","1.131","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309703","17.88","0.005","17.88","0.005","8.254","0.004","90","","90","","90","","2638.8","1.7","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C11 H10 Cl N4 O5 Zn0.5 -","- C11 H10 Cl N4 O5 Zn0.5 -","- C88 H80 Cl8 N32 O40 Zn4 -","8","1","","D. Krishna Kumar; D. Amilan Jose; Amitava Das; Parthasarathi Dastidar","From Diamondoid Network to (4,4) Net: Effect of Ligand Topology on the Supramolecular Structural Diversity","Inorganic Chemistry","2005","44","","6933","6935","10.1021/ic050972d","","","0.71073","MoKα","","0.0545","0.0443","","","0.087","0.0909","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309704","12.0544","0.001","12.0544","0.001","9.2802","0.0015","90","","90","","90","","1348.5","0.3","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C5.5 H5 Cl0.5 N2 O2.02 Zn0.25 -","- C5.5 H5 Cl0.5 N2 O2.03 Zn0.25 -","- C44 H40 Cl4 N16 O16.24 Zn2 -","8","1","","D. Krishna Kumar; D. Amilan Jose; Amitava Das; Parthasarathi Dastidar","From Diamondoid Network to (4,4) Net: Effect of Ligand Topology on the Supramolecular Structural Diversity","Inorganic Chemistry","2005","44","","6933","6935","10.1021/ic050972d","","","0.71073","MoKα","","0.0605","0.058","","","0.1776","0.1813","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309705","16.8992","0.0007","16.8992","0.0007","18.4603","0.0014","90","","90","","90","","5271.9","0.5","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C11 H10 Cl N4 O5 Zn0.5 -","- C11 H10 Cl N4 O5 Zn0.5 -","- C176 H160 Cl16 N64 O80 Zn8 -","16","1","","D. Krishna Kumar; D. Amilan Jose; Amitava Das; Parthasarathi Dastidar","From Diamondoid Network to (4,4) Net: Effect of Ligand Topology on the Supramolecular Structural Diversity","Inorganic Chemistry","2005","44","","6933","6935","10.1021/ic050972d","","","0.71073","MoKα","","0.0294","0.0251","","","0.065","0.0675","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309706","24.556","0.0003","24.556","0.0002","59.4158","0.0003","90","","90","","120","","31027.6","0.5","233","2","233","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C144 H72 Cl84 Mn3 O24 -","- C144 H72 Cl84 Mn3 O24 -","- C864 H432 Cl504 Mn18 O144 -","6","0.166667","","Daniel Maspoch; Jordi Gómez-Segura; Neus Domingo; Daniel Ruiz-Molina; Klaus Wurst; Concepció Rovira; Javier Tejada; Jaume Veciana","An Unusually Stable Trinuclear Manganese(II) Complex Bearing Bulk Carboxylic Radical Ligands","Inorganic Chemistry","2005","44","","6936","6938","10.1021/ic050977a","","","0.71073","MoKα","","0.0473","0.0354","","","0.0901","0.0977","","","","","","1.055","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309707","14.193","0.003","9.2745","0.0019","8.0839","0.0016","90","","90","","90","","1064.1","0.4","150","2","150","2","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Cl12 Ga8 H2 -","- Cl12 Ga8 H2 -","- Cl24 Ga16 H4 -","2","0.5","","Christina Y. Tang; Anthony J. Downs; Tim M. Greene; Sarah Marchant; Simon Parsons","Decomposition of Monochlorogallane, [H2GaCl]n, and Adducts with Amine and Phosphine Bases: Formation of Cationic Gallane Derivatives","Inorganic Chemistry","2005","44","","7143","7150","10.1021/ic050986j","","","0.71073","MoKα","","0.0227","0.0218","","","0.0447","0.0448","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309708","6.215","0.003","9.704","0.005","7.286","0.003","90","","115.153","0.006","90","","397.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H11 Cl Ga P -","- C3 H11 Cl Ga P -","- C6 H22 Cl2 Ga2 P2 -","2","0.5","","Christina Y. Tang; Anthony J. Downs; Tim M. Greene; Sarah Marchant; Simon Parsons","Decomposition of Monochlorogallane, [H2GaCl]n, and Adducts with Amine and Phosphine Bases: Formation of Cationic Gallane Derivatives","Inorganic Chemistry","2005","44","","7143","7150","10.1021/ic050986j","","","0.71073","MoKα","","0.0514","0.0464","","","0.1","0.1023","","","","","","1.178","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309709","8.316","0.0008","10.795","0.0011","15.2538","0.0016","90","","96.351","0.002","90","","1360.9","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Cl Ga N2 -","- C8 H24 Cl Ga N2 -","- C32 H96 Cl4 Ga4 N8 -","4","1","","Christina Y. Tang; Anthony J. Downs; Tim M. Greene; Sarah Marchant; Simon Parsons","Decomposition of Monochlorogallane, [H2GaCl]n, and Adducts with Amine and Phosphine Bases: Formation of Cationic Gallane Derivatives","Inorganic Chemistry","2005","44","","7143","7150","10.1021/ic050986j","","","0.71073","MoKα","","0.0293","0.026","","0.0637","0.0625","0.0637","","","","","","0.9661","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309710","5.6404","0.0002","11.4417","0.0004","21.3438","0.0009","90","","96.744","0.002","90","","1367.91","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Cl Ga N2 -","- C8 H24 Cl Ga N2 -","- C32 H96 Cl4 Ga4 N8 -","4","1","","Christina Y. Tang; Anthony J. Downs; Tim M. Greene; Sarah Marchant; Simon Parsons","Decomposition of Monochlorogallane, [H2GaCl]n, and Adducts with Amine and Phosphine Bases: Formation of Cationic Gallane Derivatives","Inorganic Chemistry","2005","44","","7143","7150","10.1021/ic050986j","","","0.71073","MoKα","","0.0727","0.066","","","0.1772","0.1815","","","","","","1.131","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4309711","16.675","0.003","16.675","0.003","13.222","0.003","90","","90","","90","","3676.5","1.3","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C7 H7 N O7 Zn -","- C7 H7 N O7 Zn -","- C112 H112 N16 O112 Zn16 -","16","1","","Li-Li Wen; Dong-Bin Dang; Chun-Ying Duan; Yi-Zhi Li; Zheng-Fang Tian; Qing-Jin Meng","1D Helix, 2D Brick-Wall and Herringbone, and 3D Interpenetration d10 Metal-Organic Framework Structures Assembled from Pyridine-2,6-dicarboxylic AcidN-Oxide","Inorganic Chemistry","2005","44","","7161","7170","10.1021/ic0509985","","","0.71073","MoKα","","0.0665","0.0589","","","0.1468","0.1518","","","","","","1.043","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309712","10.825","0.002","16.86","0.003","11.004","0.002","90","","99.03","0.03","90","","1983.4","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 N6 O15 Zn2 -","- C34 H32 N6 O15 Zn2 -","- C68 H64 N12 O30 Zn4 -","2","1","","Li-Li Wen; Dong-Bin Dang; Chun-Ying Duan; Yi-Zhi Li; Zheng-Fang Tian; Qing-Jin Meng","1D Helix, 2D Brick-Wall and Herringbone, and 3D Interpenetration d10 Metal-Organic Framework Structures Assembled from Pyridine-2,6-dicarboxylic AcidN-Oxide","Inorganic Chemistry","2005","44","","7161","7170","10.1021/ic0509985","","","0.71073","MoKα","","0.0497","0.0426","","","0.0929","0.0944","","","","","","1.029","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309713","20.74","0.002","8.4415","0.001","11.4863","0.0014","90","","90","","90","","2011","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H17 N5 O5 Zn -","- C21 H17 N5 O5 Zn -","- C84 H68 N20 O20 Zn4 -","4","1","","Li-Li Wen; Dong-Bin Dang; Chun-Ying Duan; Yi-Zhi Li; Zheng-Fang Tian; Qing-Jin Meng","1D Helix, 2D Brick-Wall and Herringbone, and 3D Interpenetration d10 Metal-Organic Framework Structures Assembled from Pyridine-2,6-dicarboxylic AcidN-Oxide","Inorganic Chemistry","2005","44","","7161","7170","10.1021/ic0509985","","","0.71073","MoKα","","0.0614","0.05","","","0.1026","0.1057","","","","","","1.054","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309714","12.807","0.003","16.145","0.004","17.415","0.004","90","","90","","90","","3600.9","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H72 N20 O22 Zn4 -","- C68 H72 N20 O22 Zn4 -","- C136 H144 N40 O44 Zn8 -","2","0.25","","Li-Li Wen; Dong-Bin Dang; Chun-Ying Duan; Yi-Zhi Li; Zheng-Fang Tian; Qing-Jin Meng","1D Helix, 2D Brick-Wall and Herringbone, and 3D Interpenetration d10 Metal-Organic Framework Structures Assembled from Pyridine-2,6-dicarboxylic AcidN-Oxide","Inorganic Chemistry","2005","44","","7161","7170","10.1021/ic0509985","","","0.71073","MoKα","","0.0641","0.0467","","","0.0928","0.0957","","","","","","0.976","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309715","16.457","0.004","9.193","0.002","21.244","0.004","90","","113.523","0.014","90","","2946.9","1.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C112 H108 Cd4 N28 O26 -","- C112 H108 Cd4 N28 O26 -","- C112 H108 Cd4 N28 O26 -","1","0.25","","Li-Li Wen; Dong-Bin Dang; Chun-Ying Duan; Yi-Zhi Li; Zheng-Fang Tian; Qing-Jin Meng","1D Helix, 2D Brick-Wall and Herringbone, and 3D Interpenetration d10 Metal-Organic Framework Structures Assembled from Pyridine-2,6-dicarboxylic AcidN-Oxide","Inorganic Chemistry","2005","44","","7161","7170","10.1021/ic0509985","","","0.71073","MoKα","","0.0928","0.0484","","","0.0885","0.0963","","","","","","0.986","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309716","10.4274","0.0007","10.6231","0.0007","14.3549","0.001","81.971","0.001","85.073","0.001","73.501","0.001","1507.9","0.18","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Magnesium porphyrinogen(delta)","","","- C31 H37 Cl2 Mg N5 -","- C31 H37 Cl2 Mg N5 -","- C62 H74 Cl4 Mg2 N10 -","2","1","","Julien Bachmann; Daniel G. Nocera","Structural Tuning of Ligand-Based Two-Electron Intervalence Charge Transfer","Inorganic Chemistry","2005","44","","6930","6932","10.1021/ic0511017","","","0.71073","MoKα","","0.1104","0.0928","","","0.2691","0.2888","","","","","","1.032","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309717","11.855","0.002","20.514","0.004","16.602","0.002","90","","90.368","0.011","90","","4037.4","1.1","383","2","383","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 B Cl F4 N6 O8 Rh2 -","- C35.997 H39 B Cl F4 N6 O8 Rh2 -","- C143.988 H156 B4 Cl4 F16 N24 O32 Rh8 -","4","1","","Alfredo M. Angeles-Boza; Patricia M. Bradley; Patty K.-L. Fu; Mikhail Shatruk; Matthew G. Hilfiger; Kim R. Dunbar; Claudia Turro","Photocytotoxicity of a New Rh2(II,II) Complex: Increase in Cytotoxicity upon Irradiation Similar to That of PDT Agent Hematoporphyrin","Inorganic Chemistry","2005","44","","7262","7264","10.1021/ic0500715","","","0.71073","MoKα","","0.0975","0.0473","","","0.0974","0.127","","","","","","1.087","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309718","15.1602","0.0017","22.5242","0.0017","16.9832","0.0013","90","","110.724","0.008","90","","5424","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl F5 N7 O5 Pd -","- C22 H23 Cl F5 N7 O5 Pd -","- C176 H184 Cl8 F40 N56 O40 Pd8 -","8","2","","José Ruiz; Natalia Cutillas; Consuelo Vicente; María Dolores Villa; Gregorio López; Julia Lorenzo; Francesc X. Avilés; Virtudes Moreno; Delia Bautista","New Palladium(II) and Platinum(II) Complexes with the Model Nucleobase 1-Methylcytosine: Antitumor Activity and Interactions with DNA","Inorganic Chemistry","2005","44","","7365","7376","10.1021/ic0502372","","","0.71073","MoKα","","0.0529","0.0333","","","0.0721","0.0766","","","","","","0.906","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309719","13.6323","0.0006","13.9239","0.0006","14.2497","0.0006","90","","116.498","0.002","90","","2420.66","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 Cl N4 O7 Pt S -","- C19 H31 Cl N4 O7 Pt S -","- C76 H124 Cl4 N16 O28 Pt4 S4 -","4","1","","José Ruiz; Natalia Cutillas; Consuelo Vicente; María Dolores Villa; Gregorio López; Julia Lorenzo; Francesc X. Avilés; Virtudes Moreno; Delia Bautista","New Palladium(II) and Platinum(II) Complexes with the Model Nucleobase 1-Methylcytosine: Antitumor Activity and Interactions with DNA","Inorganic Chemistry","2005","44","","7365","7376","10.1021/ic0502372","","","0.71073","MoKα","","0.0245","0.0239","","","0.0523","0.0525","","","","","","1.199","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309720","9.7297","0.0011","16.7595","0.0019","18.023","0.002","96.245","0.002","96.146","0.002","104.737","0.002","2797.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 F10 N6 O3 Pd -","- C25 H20 F10 N6 O3 Pd -","- C100 H80 F40 N24 O12 Pd4 -","4","2","","José Ruiz; Natalia Cutillas; Consuelo Vicente; María Dolores Villa; Gregorio López; Julia Lorenzo; Francesc X. Avilés; Virtudes Moreno; Delia Bautista","New Palladium(II) and Platinum(II) Complexes with the Model Nucleobase 1-Methylcytosine: Antitumor Activity and Interactions with DNA","Inorganic Chemistry","2005","44","","7365","7376","10.1021/ic0502372","","","0.71073","MoKα","","0.0356","0.033","","","0.0744","0.0758","","","","","","1.101","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309721","33.7","0.002","12.1319","0.0011","13.9242","0.0011","90","","90","","90","","5692.8","0.8","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C21 H23 Cl F5 N7 O6 Pd -","- C21 H23 Cl F5 N7 O6 Pd -","- C168 H184 Cl8 F40 N56 O48 Pd8 -","8","1","","José Ruiz; Natalia Cutillas; Consuelo Vicente; María Dolores Villa; Gregorio López; Julia Lorenzo; Francesc X. Avilés; Virtudes Moreno; Delia Bautista","New Palladium(II) and Platinum(II) Complexes with the Model Nucleobase 1-Methylcytosine: Antitumor Activity and Interactions with DNA","Inorganic Chemistry","2005","44","","7365","7376","10.1021/ic0502372","","","0.71073","MoKα","","0.0724","0.0401","","","0.0922","0.0997","","","","","","0.898","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309722","14.5032","0.0003","14.5032","0.0003","25.2982","0.0013","90","","90","","90","","5321.3","0.3","176","2","176","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{[bis(N,N,N',N'-tetramethyl-(1R,2R)-trans-cyclohexanediamine- κ^2^N,N')copper(I)][bis(N,N,N',N'-tetramethyl-(1S,2S)-trans- cyclohexanediamine-κ^2^N,N')copper(I)]} bis(trifluoromethanesulfonate)","","- C21 H44 Cu F3 N4 O3 S -","- C21 H44 Cu F3 N4 O3 S -","- C168 H352 Cu8 F24 N32 O24 S8 -","8","2","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.71069","MoKα","","0.071","0.0523","","","0.1056","0.112","","","","","","0.975","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309723","8.1394","0.001","9.0186","0.001","12.2394","0.001","68.486","0.007","74.855","0.005","67.025","0.007","762.19","0.15","203","2","203","2","","","","","","","","8","P 1","P 1","1","","(triphenylphosphine-κP)(N,N,N',N'-tetramethyl-(1R,2R)-trans- cyclohexanediamine-κ^2^N,N')copper(I) trifluoromethanesulfonate","","- C29 H37 Cu F3 N2 O3 P S -","- C29 H37 Cu F3 N2 O3 P S -","- C29 H37 Cu F3 N2 O3 P S -","1","1","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.71069","MoKα","","0.0293","0.0282","","","0.0748","0.0756","","","","","","1.073","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309724","13.77","0.002","8.508","0.001","15.258","0.001","90","","108.212","0.008","90","","1698","0.3","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","di-μ-hydroxo-bis((N,N,N',N'-tetramethyl-(1R,2R)-trans- cyclohexanediamine-κ^2^N,N')copper(II)) bis(trifluoromethanesulfonate)","","- C22 H46 Cu2 F6 N4 O8 S2 -","- C22 H46 Cu2 F6 N4 O8 S2 -","- C44 H92 Cu4 F12 N8 O16 S4 -","2","1","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.7107","MoKα","","0.076","0.0532","","","0.1361","0.1497","","","","","","1.069","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309725","8.35","0.01","15.53","0.01","26.16","0.02","90","","90","","90","","3392","5","203","2","203","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(N,N,N',N'-tetramethyl-(1R,2R)-trans-cyclohexanediamine-1κ^2^N,N') (N,N,N',N'-tetramethyl-(1S,2S)-trans-cyclohexanediamine-2κ^2^N,N') (bis(μ-hydroxo-1:2κ^2^O))dicopper(II) bis(trifluoromethanesulfonate)","","- C22 H46 Cu2 F6 N4 O8 S2 -","- C22 H46 Cu2 F6 N4 O8 S2 -","- C88 H184 Cu8 F24 N16 O32 S8 -","4","0.5","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.71069","MoKα","","0.1154","0.0605","","","0.1583","0.1878","","","","","","1.042","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309726","12.1336","0.0002","11.9387","0.0003","18.4717","0.0003","90","","108.387","0.001","90","","2539.19","0.09","143","2","143","2","","","","","","","","8","P 1 21 1","P 2yb","4","","di-μ-oxo-bis(N,N'-diethyl-N,N'-dimethyl-(1R,2R)-trans-cyclohexanediamine- κ^2^N,N')copper(III) bis(trifluoromethanesulfonate) dichloromethane solvate","","- C30 H60 Cl8 Cu2 F6 N4 O8 S2 -","- C30 H60 Cl8 Cu2 F6 N4 O8 S2 -","- C60 H120 Cl16 Cu4 F12 N8 O16 S4 -","2","1","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.71069","MoKα","","0.0653","0.055","","","0.1211","0.1287","","","","","","1.075","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309727","10.1266","0.001","8.2904","0.001","13.9796","0.001","90","","105.516","0.01","90","","1130.9","0.2","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(acetonitrile-κN)(N,N,N',N'-tetraethyl-(1R,2R)-trans-cyclohexanediamine- κ^2^N,N')copper(I) trifluoromethanesulfonate","","- C17 H33 Cu F3 N3 O3 S -","- C17 H33 Cu F3 N3 O3 S -","- C34 H66 Cu2 F6 N6 O6 S2 -","2","1","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.71069","MoKα","","0.0544","0.0396","","","0.1012","0.1086","","","","","","1.045","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309728","9.3741","0.0002","36.4637","0.0007","11.3652","0.0003","90","","93.314","0.001","90","","3878.29","0.15","159","2","159","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(acetonitrile-κN)(N,N,N',N'-tetrabenzyl-(1R,2R)-trans-cyclohexanediamine- κ^2^N,N')copper(I) trifluoromethanesulfonate dichloromethane solvate","","- C38 H43 Cl2 Cu F3 N3 O3 S -","- C38 H43 Cl2 Cu F3 N3 O3 S -","- C152 H172 Cl8 Cu4 F12 N12 O12 S4 -","4","2","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.71069","MoKα","","0.0489","0.036","","","0.0666","0.0707","","","","","","1.004","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309729","27.552","0.0014","11.7024","0.0006","14.9337","0.0008","90","","113.151","0.001","90","","4427.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H10 F10 O Pt -","- C27 H10 F10 O Pt -","- C216 H80 F80 O8 Pt8 -","8","1","","Jesús R. Berenguer; Juan Forniés; L. Francisco Martín; Antonio Martín; Babil Menjón","Unassisted η2-Coordination of Polycyclic Aromatic Hydrocarbons to Platinum(II)","Inorganic Chemistry","2005","44","","7265","7267","10.1021/ic050405q","","","0.71073","MoKα","","0.0175","0.0167","","","0.0457","0.0462","","","","","","1.009","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309730","11.3831","0.0007","17.0652","0.0014","24.2939","0.0016","90","","100.017","0.008","90","","4647.3","0.6","173","","173","1","","","","","","","see text","4","P 1 21/m 1","-P 2yb","11","","","","- C174 H256 Rh16 S19.22 -","- C174 H256 Rh16 S19.232 -","- C174 H256 Rh16 S19.232 -","1","0.25","","Andreas Lange; Marek M. Kubicki; Joachim Wachter; Manfred Zabel","Chemistry of Transition-Metal Clusters with Mixed Sb/S Ligands: Evidence for a Terminal SbS Double Bond in Cp*3Rh3Sb2S5 (Cp* = C5Me5)","Inorganic Chemistry","2005","44","","7328","7332","10.1021/ic050493e","","","0.71073","MoKα","","0.0722","0.0449","","","0.098","0.1054","","","","","","0.924","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309731","10.0804","0.0005","18.5111","0.001","21.9383","0.0011","90","","95.435","0.006","90","","4075.3","0.4","173","","173","1","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H53 O Rh3 S5 Sb2 -","- C34 H53 O Rh3 S5 Sb2 -","- C136 H212 O4 Rh12 S20 Sb8 -","4","1","","Andreas Lange; Marek M. Kubicki; Joachim Wachter; Manfred Zabel","Chemistry of Transition-Metal Clusters with Mixed Sb/S Ligands: Evidence for a Terminal SbS Double Bond in Cp*3Rh3Sb2S5 (Cp* = C5Me5)","Inorganic Chemistry","2005","44","","7328","7332","10.1021/ic050493e","","","0.71073","MoKα","","0.039","0.0271","","","0.0594","0.0615","","","","","","0.919","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309732","10.9169","0.0019","10.9169","0.0019","21.622","0.005","90","","90","","120","","2231.6","0.8","203","2","203","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C18 H27 I7 N9 U2 -","- C18 H18 I7 N9 U2 -","- C36 H36 I14 N18 U4 -","2","0.166667","","Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu","Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex","Inorganic Chemistry","2005","44","","7403","7413","10.1021/ic050578f","","","0.71073","MoKα","","0.0749","0.0694","","","0.2141","0.2167","","","","","","1.867","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309733","16.898","0.005","16.898","0.005","11.615","0.003","90","","90","","90","","3316.6","1.6","203","2","203","2","","","","","","","","5","I -4","I -4","82","","","","- C28 H20 I4 N4 U -","- C28 H20 I4 N4 U -","- C112 H80 I16 N16 U4 -","4","0.5","","Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu","Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex","Inorganic Chemistry","2005","44","","7403","7413","10.1021/ic050578f","","","0.71073","MoKα","","0.0608","0.0571","","","0.1429","0.1449","","","","","","1.33","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4309734","17.943","0.009","18.658","0.009","20.265","0.01","90","","116.276","0.006","90","","6083","5","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 B I3 N6 U -","- C15 H22 B I3 N6 U -","- C120 H176 B8 I24 N48 U8 -","8","2","","Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu","Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex","Inorganic Chemistry","2005","44","","7403","7413","10.1021/ic050578f","","","0.71073","MoKα","","0.0751","0.0606","","","0.1252","0.1289","","","","","","1.441","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309735","12.221","0.003","12.221","0.003","10.806","0.004","90","","90","","90","","1613.9","0.8","203","2","203","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C56 H40 I7 N8 U -","- C64 I7 N8 U2 -","- C64 I7 N8 U2 -","1","0.125","","Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu","Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex","Inorganic Chemistry","2005","44","","7403","7413","10.1021/ic050578f","","","0.71073","MoKα","","0.1195","0.0811","","","0.1642","0.1714","","","","","","1.487","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309736","17.021","0.006","8.725","0.003","19.189","0.007","90","","104.294","0.006","90","","2761.5","1.7","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 I2 N U -","- C27 H35 I2 N U -","- C108 H140 I8 N4 U4 -","4","1","","Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu","Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex","Inorganic Chemistry","2005","44","","7403","7413","10.1021/ic050578f","","","0.71073","MoKα","","0.0992","0.082","","","0.2522","0.2621","","","","","","1.988","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309737","14.538","0.004","10.323","0.003","17.448","0.005","90","","99.301","0.005","90","","2584.1","1.3","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 B I3 N7 U -","- C17 H25 B I3 N7 U -","- C68 H100 B4 I12 N28 U4 -","4","1","","Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu","Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex","Inorganic Chemistry","2005","44","","7403","7413","10.1021/ic050578f","","","0.71073","MoKα","","0.0447","0.0353","","","0.0852","0.0893","","","","","","1.359","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309738","10.908","0.003","10.928","0.003","11.246","0.003","85.227","0.005","65.923","0.004","79.528","0.006","1203.5","0.6","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 B4 I6 N12 U -","- C30 H42 B4 I6 N12 U -","- C30 H42 B4 I6 N12 U -","1","0.5","","Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu","Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex","Inorganic Chemistry","2005","44","","7403","7413","10.1021/ic050578f","","","0.71073","MoKα","","0.0741","0.0591","","","0.1544","0.1679","","","","","","1.244","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309739","18.52","0.004","11.972","0.003","24.861","0.005","90","","107.242","0.004","90","","5265","2","203","2","203","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H29 B I N8 O0.5 U -","- C20 H29 B I N8 O0.5 U -","- C160 H232 B8 I8 N64 O4 U8 -","8","1","","Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu","Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex","Inorganic Chemistry","2005","44","","7403","7413","10.1021/ic050578f","","","0.71073","MoKα","","0.0768","0.0672","","","0.1701","0.1755","","","","","","1.425","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309740","14.9507","0.0011","26.6917","0.0013","16.8354","0.0011","90","","118.376","0.003","90","","5911.1","0.7","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H134 Cl4 Mn4 N20 O30 -","- C110 H134 Cl4 Mn4 N20 O30 -","- C220 H268 Cl8 Mn8 N40 O60 -","2","0.5","","Yuji Mikata; Motoko Wakamatsu; Haruka So; Yuriko Abe; Masahiro Mikuriya; Kôichi Fukui; Shigenobu Yano","N,N,N',N'-Tetrakis(2-quinolylmethyl)-2-hydroxy-1,3-propanediamine (Htqhpn) as a Supporting Ligand for a Low-Valent (μ-O)2 Tetranuclear Manganese Core","Inorganic Chemistry","2005","44","","7268","7270","10.1021/ic050582r","","","0.7107","MoKalpha","","","0.061","","","","0.133","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309741","10.2413","0.0002","11.1121","0.0002","16.3122","0.0002","73.573","0.011","80.353","0.012","77.915","0.012","1729.47","0.13","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H38 N6 O -","- C43 H38 N6 O -","- C86 H76 N12 O2 -","2","1","","Yuji Mikata; Motoko Wakamatsu; Haruka So; Yuriko Abe; Masahiro Mikuriya; Kôichi Fukui; Shigenobu Yano","N,N,N',N'-Tetrakis(2-quinolylmethyl)-2-hydroxy-1,3-propanediamine (Htqhpn) as a Supporting Ligand for a Low-Valent (μ-O)2 Tetranuclear Manganese Core","Inorganic Chemistry","2005","44","","7268","7270","10.1021/ic050582r","","","0.7107","MoKalpha","","","0.048","","","","0.099","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309742","14.178","0.004","14.3","0.004","15.741","0.004","73.948","0.012","69.661","0.011","69.339","0.011","2756.6","1.3","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C106 H116 Cl4 Mn4 N18 O24 -","- C106 H116 Cl4 Mn4 N18 O24 -","- C106 H116 Cl4 Mn4 N18 O24 -","1","0.5","","Yuji Mikata; Motoko Wakamatsu; Haruka So; Yuriko Abe; Masahiro Mikuriya; Kôichi Fukui; Shigenobu Yano","N,N,N',N'-Tetrakis(2-quinolylmethyl)-2-hydroxy-1,3-propanediamine (Htqhpn) as a Supporting Ligand for a Low-Valent (μ-O)2 Tetranuclear Manganese Core","Inorganic Chemistry","2005","44","","7268","7270","10.1021/ic050582r","","","0.7107","MoKalpha","","","0.054","","","","0.129","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309743","9.5719","0.0011","9.5719","0.0011","9.5719","0.0011","90","","90","","90","","876.99","0.17","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Bi K Pb -","- Bi K Pb -","- Bi8 K8 Pb8 -","8","0.0833333","","Siméon Ponou; Noémi Müller; Thomas F. Fässler; Ulrich Häussermann","KBi2-xPbx (0 < x <= 1): A Zintl Phase Evolving from a Distortion of the Cubic Laves-Phase Structure","Inorganic Chemistry","2005","44","","7423","7430","10.1021/ic050603h","","","0.71073","MoKα","","0.0677","0.0527","","","0.1072","0.1106","","","","","","1.075","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309744","9.92","0.003","6.9793","0.0018","8.293","0.002","90","","111.094","0.006","90","","535.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lead maleate","","","- C4 H2 O4 Pb -","- C4 H2 O4 Pb -","- C16 H8 O16 Pb4 -","4","1","","François Bonhomme; Todd M. Alam; Aaron J. Celestian; David R. Tallant; Timothy J. Boyle; Brian R. Cherry; Ralph G. Tissot; Mark A. Rodriguez; John B. Parise; May Nyman","Tribasic Lead Maleate and Lead Maleate: Synthesis and Structural and Spectroscopic Characterizations","Inorganic Chemistry","2005","44","","7394","7402","10.1021/ic050611y","","","0.71073","MoKα","","0.0428","0.0338","","","0.0785","0.0853","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309745","12.8473","0.0015","13.3709","0.0016","13.3952","0.0016","102.369","0.002","96.125","0.002","115.455","0.002","1977.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 B N9 Zn -","- C44 H40 B N9 Zn -","- C88 H80 B2 N18 Zn2 -","2","1","","Hongshan He; David T. Puerta; Seth M. Cohen; Kenton R. Rodgers","Structural and Spectroscopic Study of Reactions between Chelating Zinc-Binding Groups and Mimics of the Matrix Metalloproteinase and Disintegrin Metalloprotease Catalytic Sites: The Coordination Chemistry of Metalloprotease Inhibition","Inorganic Chemistry","2005","44","","7431","7442","10.1021/ic050723p","","","0.71073","MoKα","","0.0544","0.0477","","","0.1278","0.1328","","","","","","1.049","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309746","15.2835","0.0015","11.7403","0.0012","21.487","0.002","90","","101.066","0.002","90","","3783.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H41 B Cl N7 O5 Zn -","- C40 H41 B Cl N7 O5 Zn -","- C160 H164 B4 Cl4 N28 O20 Zn4 -","4","1","","Hongshan He; David T. Puerta; Seth M. Cohen; Kenton R. Rodgers","Structural and Spectroscopic Study of Reactions between Chelating Zinc-Binding Groups and Mimics of the Matrix Metalloproteinase and Disintegrin Metalloprotease Catalytic Sites: The Coordination Chemistry of Metalloprotease Inhibition","Inorganic Chemistry","2005","44","","7431","7442","10.1021/ic050723p","","","0.71073","MoKα","","0.0624","0.0452","","","0.099","0.1048","","","","","","1.028","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309747","21.503","0.003","18.071","0.003","25.455","0.004","90","","90","","90","","9891","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H60 Cu3 N7 O7 -","- C46 H60 Cu3 N7 O7 -","- C368 H480 Cu24 N56 O56 -","8","1","","Gellert Mezei; John E. McGrady; Raphael G. Raptis","First Structural Characterization of a Delocalized, Mixed-Valent, Triangular Cu37+ Species: Chemical and Electrochemical Oxidation of a CuII3(μ3-O) Pyrazolate and Electronic Structure of the Oxidation Product","Inorganic Chemistry","2005","44","","7271","7273","10.1021/ic050729e","","","0.71073","MoKα","","0.1156","0.0452","","","0.1097","0.1357","","","","","","0.909","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309748","9.9232","0.0002","11.6281","0.0002","13.8553","0.0002","73.1948","0.0011","76.8339","0.0011","88.5853","0.0007","1488.77","0.05","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H30 Cl2 N6 O9 Zn -","- C25 H30 Cl2 N6 O9 Zn -","- C50 H60 Cl4 N12 O18 Zn2 -","2","1","","Ewa Szajna; Magdalena M. Makowska-Grzyska; Chad C. Wasden; Atta M. Arif; Lisa M. Berreau","A Deprotonated Intermediate in the Amide Methanolysis Reaction of an N4O-Ligated Mononuclear Zinc Complex","Inorganic Chemistry","2005","44","","7595","7605","10.1021/ic050750f","","","0.71073","MoKα","","0.0747","0.0538","","","0.1643","0.2347","","","","","","1.065","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309749","9.8819","0.0007","10.7594","0.0008","12.7185","0.0009","93.098","0.002","96.393","0.002","100.469","0.002","1317.67","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H60 K2 N4 O4 P2 -","- C54 H60 K2 N4 O4 P2 -","- C54 H60 K2 N4 O4 P2 -","1","0.5","","Ignacio Fernández; Frank Breher; Paul S. Pregosin; Zhaofu Fei; Paul J. Dyson","NMR, PGSE Diffusion, and X-ray Diffraction Studies of Lithium and Potassium Salts Derived from Diphenylphosphino(o-cyanophenyl)aniline and Their Crown Ether Complexes","Inorganic Chemistry","2005","44","","7616","7623","10.1021/ic050753s","","","0.71073","MoKα","","0.0942","0.0783","","","0.2019","0.2155","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309750","10.571","0.0012","22.826","0.003","7.9743","0.0009","90","","90","","90","","1924.1","0.4","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H10 Cl2 N2 Pt -","- C6 H10 Cl2 N2 Pt -","- C48 H80 Cl16 N16 Pt8 -","8","1","","Geraldine McGowan; Simon Parsons; Peter J. Sadler","Contrasting Chemistry of cis- and trans-Platinum(II) Diamine Anticancer Compounds: Hydrolysis Studies of Picoline Complexes","Inorganic Chemistry","2005","44","","7459","7467","10.1021/ic050763t","","","0.71073","MoKα","","0.0518","0.0431","","","0.09","0.0921","","","","","","1.361","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309751","8.5867","0.0002","22.8583","0.0007","9.8514","0.0003","90","","93.506","0.002","90","","1929.99","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl2 N2 Pt -","- C6 H10 Cl2 N2 Pt -","- C48 H80 Cl16 N16 Pt8 -","8","2","","Geraldine McGowan; Simon Parsons; Peter J. Sadler","Contrasting Chemistry of cis- and trans-Platinum(II) Diamine Anticancer Compounds: Hydrolysis Studies of Picoline Complexes","Inorganic Chemistry","2005","44","","7459","7467","10.1021/ic050763t","","","0.71073","MoKα","","0.0464","0.0386","","","0.0835","0.0865","","","","","","1.149","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4309752","11.5185","0.0004","22.3413","0.0007","7.6232","0.0003","90","","90","","90","","1961.74","0.12","150","2","150","2","","","","","","","Geraldine McGowan, reaction GM77","5","P c c n","-P 2ab 2ac","56","","","","- C6 H10 Cl2 N2 Pt -","- C6 H10 Cl2 N2 Pt -","- C48 H80 Cl16 N16 Pt8 -","8","1","","Geraldine McGowan; Simon Parsons; Peter J. Sadler","Contrasting Chemistry of cis- and trans-Platinum(II) Diamine Anticancer Compounds: Hydrolysis Studies of Picoline Complexes","Inorganic Chemistry","2005","44","","7459","7467","10.1021/ic050763t","","","0.71073","MoKα","","0.0468","0.0307","","","0.0629","0.0668","","","","","","1.048","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4309753","21.4","0.02","21.68","0.02","14.78","0.02","90","","90","0.03","90","","6857","13","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H108 O20 P4 Re4 U -","- C48 H108 O20 P4 Re4 U -","- C192 H432 O80 P16 Re16 U4 -","4","1","","Gordon H. John; Iain May; Clint A. Sharrad; Andrew D. Sutton; David Collison; Madeleine Helliwell; Mark J. Sarsfield","The Synthesis, Structural, and Spectroscopic Characterization of Uranium(IV) Perrhenate Complexes","Inorganic Chemistry","2005","44","","7606","7615","10.1021/ic0507971","","","0.71069","MoKα","","0.0329","0.0322","","","0.0799","0.0803","","","","","","1.042","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309754","13.4198","0.0013","13.4198","0.0013","14.932","0.002","90","","90","","90","","2689.1","0.5","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C24 H56 O32 P4 Re4 U -","- C24 H56 O32 P4 Re4 U -","- C48 H112 O64 P8 Re8 U2 -","2","0.25","","Gordon H. John; Iain May; Clint A. Sharrad; Andrew D. Sutton; David Collison; Madeleine Helliwell; Mark J. Sarsfield","The Synthesis, Structural, and Spectroscopic Characterization of Uranium(IV) Perrhenate Complexes","Inorganic Chemistry","2005","44","","7606","7615","10.1021/ic0507971","","","0.71073","MoKα","","0.0268","0.024","","","0.0521","0.0528","","","","","","1.009","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309755","18.3426","0.0013","18.5254","0.0013","19.2253","0.0014","90","","95.064","0.001","90","","6507.3","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 N3 O19 P3 Re4 U -","- C60 H54 N3 O19 P3 Re4 U -","- C240 H216 N12 O76 P12 Re16 U4 -","4","1","","Gordon H. John; Iain May; Clint A. Sharrad; Andrew D. Sutton; David Collison; Madeleine Helliwell; Mark J. Sarsfield","The Synthesis, Structural, and Spectroscopic Characterization of Uranium(IV) Perrhenate Complexes","Inorganic Chemistry","2005","44","","7606","7615","10.1021/ic0507971","","","0.71073","MoKα","","0.066","0.0501","","","0.1231","0.1356","","","","","","0.971","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309756","13.2883","0.0007","29.7796","0.0016","20.2358","0.0011","90","","90.171","0.001","90","","8007.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H73 N2 O19 P6 Re3 U -","- C79 H73 N2 O19 P6 Re3 U -","- C316 H292 N8 O76 P24 Re12 U4 -","4","1","","Gordon H. John; Iain May; Clint A. Sharrad; Andrew D. Sutton; David Collison; Madeleine Helliwell; Mark J. Sarsfield","The Synthesis, Structural, and Spectroscopic Characterization of Uranium(IV) Perrhenate Complexes","Inorganic Chemistry","2005","44","","7606","7615","10.1021/ic0507971","","","0.71073","MoKα","","0.0617","0.0432","","","0.0918","0.1114","","","","","","0.998","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309757","13.099","0.008","27.192","0.016","8.263","0.006","90","0","98.5","0.06","90","0","2911","3","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 B Cl Mo N6 O2 P -","- C21 H34 B Cl Mo N6 O2 P -","- C84 H136 B4 Cl4 Mo4 N24 O8 P4 -","4","1","","Victor N. Nemykin; Partha Basu","Oxygen Atom Transfer Reactivity from a Dioxo-Mo(VI) Complex to Tertiary Phosphines: Synthesis, Characterization, and Structure of Phosphoryl Intermediate Complexes","Inorganic Chemistry","2005","44","","7494","7502","10.1021/ic0508324","","","0.71073","MoKα","","0.2005","0.0706","","0.358","0.1607","0.1607","","","","","","0.9347","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309758","13.67","0.03","16.59","0.02","14.722","0.015","90","","91.88","0.13","90","","3337","9","293","","293","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C29 H39 B Cl Mo N6 O2 P -","- C29 H39 B Cl Mo N6 O2 P -","- C116 H156 B4 Cl4 Mo4 N24 O8 P4 -","4","1","","Victor N. Nemykin; Partha Basu","Oxygen Atom Transfer Reactivity from a Dioxo-Mo(VI) Complex to Tertiary Phosphines: Synthesis, Characterization, and Structure of Phosphoryl Intermediate Complexes","Inorganic Chemistry","2005","44","","7494","7502","10.1021/ic0508324","","","0.71073","MoKα","","0.2369","0.0761","","0.2341","0.1599","0.1599","","","","","","0.9845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309759","11.93","0.004","13.353","0.004","19.586","0.006","95.982","0.005","95.414","0.006","98.142","0.005","3052.9","1.7","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H51 Cs2 Ge Na4 O53.5 Ru2 W9 -","- C12 H12 Cs1.5 Ge Na3.5 O53.5 Ru2 W9 -","- C24 H24 Cs3 Ge2 Na7 O107 Ru4 W18 -","2","1","","Li-Hua Bi; Ulrich Kortz; Michael H. Dickman; Bineta Keita; Louis Nadjo","Trilacunary Heteropolytungstates Functionalized by Organometallic Ruthenium(II), [(RuC6H6)2XW9O34]6- (X = Si, Ge)","Inorganic Chemistry","2005","44","","7485","7493","10.1021/ic0508627","","","0.71073","MoKα","","0.1375","0.0612","","","0.1117","0.1466","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309760","11.9415","0.0002","13.3123","0.0002","19.4927","0.0004","96.646","0.001","95.157","0.001","98.256","0.001","3028.08","0.09","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H54 Na4 O55 Rb2 Ru2 Si W9 -","- C12 H12 Na3.9 O55 Rb1.25 Ru2 Si W9 -","- C24 H24 Na7.8 O110 Rb2.5 Ru4 Si2 W18 -","2","1","","Li-Hua Bi; Ulrich Kortz; Michael H. Dickman; Bineta Keita; Louis Nadjo","Trilacunary Heteropolytungstates Functionalized by Organometallic Ruthenium(II), [(RuC6H6)2XW9O34]6- (X = Si, Ge)","Inorganic Chemistry","2005","44","","7485","7493","10.1021/ic0508627","","","0.71073","MoKα","","0.0478","0.0382","","","0.0981","0.1037","","","","","","1.017","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309761","22.276","0.005","8.075","0.005","29.333","0.005","90","","92.088","0.005","90","","5273","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H54 Cl2 Co N4 O12 -","- C57 H54 Cl2 Co N4 O12 -","- C228 H216 Cl8 Co4 N16 O48 -","4","1","","Suman Maji; Anil Kumar; Kuntal Pal; Sabyasachi Sarkar","Reversible Penta- and Hexacoordination Motifs in [Co(TMPP)] Resulting in Interchange of 1D and 2D Supramolecular Designs","Inorganic Chemistry","2005","44","","7277","7279","10.1021/ic050900m","","","0.71069","MoKα","","0.135","0.0872","","","0.2077","0.2312","","","","","","1.044","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309762","21.255","0.005","21.255","0.005","28.31","0.005","90","","90","","120","","11076","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C56 H52 Co N4 O12 -","- C56 H52 Co N4 O12 -","- C504 H468 Co9 N36 O108 -","9","0.5","","Suman Maji; Anil Kumar; Kuntal Pal; Sabyasachi Sarkar","Reversible Penta- and Hexacoordination Motifs in [Co(TMPP)] Resulting in Interchange of 1D and 2D Supramolecular Designs","Inorganic Chemistry","2005","44","","7277","7279","10.1021/ic050900m","","","0.71069","MoKα","","0.0818","0.0504","","","0.1016","0.109","","","","","","0.875","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309763","8.8751","0.0006","9.7031","0.0007","14.2263","0.0012","90","","90","","90","","1225.11","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N O3 Si -","- C10 H21 N O3 Si -","- C40 H84 N4 O12 Si4 -","4","1","","Evgenios M. Evgeniou; Spyros A. Pergantis; Epameinondas Leontidis; Anastasios D. Keramidas","NMR Investigation of the Interaction of Vanadate with Carbasilatranes in Aqueous Solutions","Inorganic Chemistry","2005","44","","7511","7522","10.1021/ic050929q","","","0.71073","MoKα","","0.0297","0.0286","","","0.0782","0.0794","","","","","","1.118","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309764","9.7277","0.0018","10.947","0.002","23.382","0.004","83.703","0.004","78.379","0.004","69.488","0.004","2282.2","0.7","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H58 Cl Ge N2 O P2 Rh Si2 -","- C43 H58 Cl Ge N2 O P2 Rh Si2 -","- C86 H116 Cl2 Ge2 N4 O2 P4 Rh2 Si4 -","2","1","","Wing-Por Leung; Cheuk-Wai So; Kwok-Wai Kan; Hoi-Shan Chan; Thomas C. W. Mak","Synthesis of a Manganese Germavinylidene Complex from Bis(germavinylidene)","Inorganic Chemistry","2005","44","","7286","7288","10.1021/ic050969u","","","0.71073","MoKα","","0.0746","0.0403","","","0.0936","0.1157","","","","","","1.013","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309765","19.929","0.009","10.072","0.005","22.51","0.01","90","","116.226","0.007","90","","4053","3","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C38 H43 Ge Mn N2 O2 P2 Si2 -","- C38 H43 Ge Mn N2 O2 P2 Si2 -","- C152 H172 Ge4 Mn4 N8 O8 P8 Si8 -","4","1","","Wing-Por Leung; Cheuk-Wai So; Kwok-Wai Kan; Hoi-Shan Chan; Thomas C. W. Mak","Synthesis of a Manganese Germavinylidene Complex from Bis(germavinylidene)","Inorganic Chemistry","2005","44","","7286","7288","10.1021/ic050969u","","","0.71073","MoKα","","0.0416","0.0291","","","0.065","0.0712","","","","","","1.001","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309766","14.647","0.003","16.688","0.003","19.783","0.004","90.842","0.003","98.92","0.003","113.425","0.003","4367.8","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H102 Mn N8 Ni O7 S4 -","- C86 H98 Mn N8 Ni O7 S4 -","- C172 H196 Mn2 N16 Ni2 O14 S8 -","2","1","","Louise N. Dawe; Jesse Miglioi; Laura Turnbow; Michelle L. Taliaferro; William W. Shum; Joshua D. Bagnato; Lev N. Zakharov; Arnold L. Rheingold; Atta M. Arif; Marc Fourmigué; Joel S. Miller","Structure and Magnetic Properties of (meso-Tetraphenylporphinato)manganese(III) Bis(dithiolato)nickelates","Inorganic Chemistry","2005","44","","7530","7539","10.1021/ic050980u","","","0.71073","MoKα","","0.1803","0.0756","","","0.1522","0.189","","","","","","1.017","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309767","10.656","0.0003","10.7154","0.0004","10.8898","0.0002","97.8288","0.0018","117.355","0.0016","98.5935","0.0015","1061.86","0.06","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H30 Mn N6 Ni S4 -","- C50 H30 Mn N6 Ni S4 -","- C50 H30 Mn N6 Ni S4 -","1","0.5","","Louise N. Dawe; Jesse Miglioi; Laura Turnbow; Michelle L. Taliaferro; William W. Shum; Joshua D. Bagnato; Lev N. Zakharov; Arnold L. Rheingold; Atta M. Arif; Marc Fourmigué; Joel S. Miller","Structure and Magnetic Properties of (meso-Tetraphenylporphinato)manganese(III) Bis(dithiolato)nickelates","Inorganic Chemistry","2005","44","","7530","7539","10.1021/ic050980u","","","0.71073","MoKα","","0.0411","0.0322","","","0.071","0.0768","","","","","","1.054","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309768","10.4769","0.0009","10.8561","0.0009","11.2213","0.0009","99.06","0.002","101.452","0.002","113.512","0.001","1106.54","0.16","218","2","218","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H28 Mn N8 Ni S4 -","- C52 H28 Mn N8 Ni S4 -","- C52 H28 Mn N8 Ni S4 -","1","0.5","","Louise N. Dawe; Jesse Miglioi; Laura Turnbow; Michelle L. Taliaferro; William W. Shum; Joshua D. Bagnato; Lev N. Zakharov; Arnold L. Rheingold; Atta M. Arif; Marc Fourmigué; Joel S. Miller","Structure and Magnetic Properties of (meso-Tetraphenylporphinato)manganese(III) Bis(dithiolato)nickelates","Inorganic Chemistry","2005","44","","7530","7539","10.1021/ic050980u","","","0.71073","MoKα","","0.057","0.0435","","","0.1092","0.1345","","","","","","1.141","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309769","7.9563","0.0003","13.3147","0.0004","25.5","0.0007","80.666","0.002","86.254","0.002","84","0.002","2647.77","0.15","183.2","","183.2","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Mn2 N9 O19 -","- C48 H42 Mn2 N9 O19 -","- C96 H84 Mn4 N18 O38 -","2","1","","Hongyu Chen; Ranitendranath Tagore; Siddhartha Das; Christopher Incarvito; J. W. Faller; Robert H. Crabtree; Gary W. Brudvig","General Synthesis of Di-μ-oxo Dimanganese Complexes as Functional Models for the Oxygen Evolving Complex of Photosystem II","Inorganic Chemistry","2005","44","","7661","7670","10.1021/ic0509940","","","0.7107","MoKα","","0.0676","0.068","","0.087","","0.087","","","2.172","","","2.17","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309770","12.16","0.002","9.756","0.002","16.676","0.003","90","","106.68","0.03","90","","1895.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl2 Mn N3 -","- C21 H15 Cl2 Mn N3 -","- C84 H60 Cl8 Mn4 N12 -","4","1","","Hongyu Chen; Ranitendranath Tagore; Siddhartha Das; Christopher Incarvito; J. W. Faller; Robert H. Crabtree; Gary W. Brudvig","General Synthesis of Di-μ-oxo Dimanganese Complexes as Functional Models for the Oxygen Evolving Complex of Photosystem II","Inorganic Chemistry","2005","44","","7661","7670","10.1021/ic0509940","","","0.71073","MoKα","","0.0843","0.041","","","0.0813","0.0918","","","","","","1.006","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309771","11.694","0.002","12.843","0.003","14.854","0.003","90","","97.59","0.03","90","","2211.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cl2 Mn N3 -","- C24 H21 Cl2 Mn N3 -","- C96 H84 Cl8 Mn4 N12 -","4","1","","Hongyu Chen; Ranitendranath Tagore; Siddhartha Das; Christopher Incarvito; J. W. Faller; Robert H. Crabtree; Gary W. Brudvig","General Synthesis of Di-μ-oxo Dimanganese Complexes as Functional Models for the Oxygen Evolving Complex of Photosystem II","Inorganic Chemistry","2005","44","","7661","7670","10.1021/ic0509940","","","0.71073","MoKα","","0.088","0.0462","","","0.1059","0.116","","","","","","1.017","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309772","7.5455","0.0015","9.5624","0.0019","12.599","0.003","95.91","0.03","97.55","0.03","110.33","0.03","834.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 Cl2 Mn N3 -","- C19 H11 Cl2 Mn N3 -","- C38 H22 Cl4 Mn2 N6 -","2","1","","Hongyu Chen; Ranitendranath Tagore; Siddhartha Das; Christopher Incarvito; J. W. Faller; Robert H. Crabtree; Gary W. Brudvig","General Synthesis of Di-μ-oxo Dimanganese Complexes as Functional Models for the Oxygen Evolving Complex of Photosystem II","Inorganic Chemistry","2005","44","","7661","7670","10.1021/ic0509940","","","0.71073","MoKα","","0.0954","0.0399","","","0.0775","0.1003","","","","","","1.003","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309773","16.02","0.003","14.58","0.003","17.62","0.004","90","","90.74","0.03","90","","4115.2","1.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H102 N6 O22 P6 Zn3 -","- C64 H86 N6 O22 P6 Zn3 -","- C128 H172 N12 O44 P12 Zn6 -","2","0.5","","Zhiyong Fu; Tristram Chivers","{Zn3(Et2O)2[(EtO)PO2(C6H5NH)]6.2THF}: A Trinuclear Zinc Amidophosphate with an Hourglass Structure","Inorganic Chemistry","2005","44","","7292","7294","10.1021/ic051012u","","","0.71073","MoKα","","0.0984","0.0599","","","0.1637","0.1918","","","","","","1.035","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309774","8.6311","0.0011","11.3015","0.0014","11.9468","0.0015","112.066","0.002","100.134","0.002","108.468","0.002","965","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H25 N12 Ni3 O12 -","- C36 H24 N12 Ni3 O12 -","- C36 H24 N12 Ni3 O12 -","1","0.5","","Fu-Chen Liu; Yong-Fei Zeng; Jian-Rong Li; Xian-He Bu; Hong-Jie Zhang; Joan Ribas","Novel 3-D Framework Nickel(II) Complex with Azide, Nicotinic Acid, and Nicotinate(1-) as Coligands: Hydrothermal Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2005","44","","7298","7300","10.1021/ic051030b","","","0.71073","MoKα","","0.0437","0.0358","","","0.1024","0.106","","","","","","1.062","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309775","19.011","0.001","21.985","0.001","23.38","0.001","90","","98.37","0.002","90","","9667.7","0.8","133.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C113 H132 B2 Co N6 O3 -","- C113 H132 B2 Co N6 O3 -","- C452 H528 B8 Co4 N24 O12 -","4","1","","Shinya Hayami; Reiko Moriyama; Yuji Shigeyoshi; Ryo Kawajiri; Tadaoki Mitani; Motoko Akita; Katsuya Inoue; Yonezo Maeda","Spin-Crossover Cobalt(II) Compound with Banana-Shaped Structure","Inorganic Chemistry","2005","44","","7295","7297","10.1021/ic051059f","","","0.7107","MoKα","","","0.0819","","","","0.1984","","","","","","2.229","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309776","9.189","0.0002","14.012","0.0003","15.318","0.0003","89.232","0.0007","82.074","0.0006","83.017","0.0012","1938.95","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Cl8 N8 O2 Zn2 -","- C24 H53.5 Cl8 N8 O2 Zn2 -","- C48 H107 Cl16 N16 O4 Zn4 -","2","1","","Martin Chadim; Pilar Díaz; Enrique García-España; Jana Hodačová; Julio Latorre; Malva Liu-González; Santiago V. Luis; José M. Llinares; Jiří Závada","Role of Anions on the Crystal Structures of Copper(II) and Zinc(II) Complexes of a Tunable Butterfly Cyclophane Macrocycle","Inorganic Chemistry","2005","44","","7503","7510","10.1021/ic051099j","","","0.71073","MoKα","","0.0714","0.0392","","","0.1127","0.1406","","","","","","0.903","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309777","9.938","0.0002","30.247","0.0006","53.143","0.0013","90","","90","","90","","15974.5","0.6","293","2","293","2","","","","","","","","6","F 2 d d","F -2d 2","43","Compound jhs4cu","","","- C24 H58 Cl4 Cu2 N8 O14 -","- C21.3333 H40.8889 Cl3.55556 Cu1.77778 N7.11111 O12.4444 -","- C384 H736 Cl64 Cu32 N128 O224 -","18","1.125","","Martin Chadim; Pilar Díaz; Enrique García-España; Jana Hodačová; Julio Latorre; Malva Liu-González; Santiago V. Luis; José M. Llinares; Jiří Závada","Role of Anions on the Crystal Structures of Copper(II) and Zinc(II) Complexes of a Tunable Butterfly Cyclophane Macrocycle","Inorganic Chemistry","2005","44","","7503","7510","10.1021/ic051099j","","","0.71073","MoKα","","0.1668","0.0572","","","0.129","0.1624","","","","","","0.777","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309778","8.472","0.005","9.31","0.005","13.745","0.005","84.262","0.005","77.49","0.005","73.558","0.005","1014.2","0.9","293","2","293","2","","","","","","","synthesis as described","8","P -1","-P 1","2","Compound jm1_3","","","- C13 H25 Cl F3 N4 O3.3 S Zn -","- C13 H25 Cl F3 N4 O3.3 S Zn -","- C26 H50 Cl2 F6 N8 O6.6 S2 Zn2 -","2","1","","Martin Chadim; Pilar Díaz; Enrique García-España; Jana Hodačová; Julio Latorre; Malva Liu-González; Santiago V. Luis; José M. Llinares; Jiří Závada","Role of Anions on the Crystal Structures of Copper(II) and Zinc(II) Complexes of a Tunable Butterfly Cyclophane Macrocycle","Inorganic Chemistry","2005","44","","7503","7510","10.1021/ic051099j","","x-ray","0.71069","MoKα","","0.2171","0.0858","","99.99","0.2014","0.2783","","","32.865","35.529","35.529","0.971","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4309779","12.598","0.009","9.471","0.006","7.095","0.006","90","","117.768","0.012","90","","749.1","1","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H8 Cu3 N5 S -","- C13 H8 Cu3 N5 S -","- C26 H16 Cu6 N10 S2 -","2","0.25","","Xian-Ming Zhang; Zheng-Ming Hao; Hai-Shun Wu","Cuprophilicity-Induced Cocrystallization of [Cu2(4,4'-bpy)(CN)2]n Sheets and [Cu(SCN)]n Chains into a 3-D Pseudopolyrotaxane","Inorganic Chemistry","2005","44","","7301","7303","10.1021/ic051104j","","","0.71073","MoKα","","0.101","0.0737","","","0.2159","0.2576","","","","","","1.146","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309780","10.342","0.008","15.17","0.01","15.71","0.01","75.06","0.06","78.1","0.07","77.56","0.07","2296","3","90","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H38 B2 Cu2 F8 N16 O3 -","- C43 H38 B2 Cu2 F8 N16 O3 -","- C86 H76 B4 Cu4 F16 N32 O6 -","2","1","","Takayuki Ishida; Kenji Yanagi; Takashi Nogami","Trans-Fused Macrobicycle ""Betweenanene"" around a Planar Cu2(μ-CH3O)2 Core Showing Remarkable Antiferromagnetic Interaction","Inorganic Chemistry","2005","44","","7307","7309","10.1021/ic051133u","","","0.7107","MoKα","","","0.053","","","","0.07","","","","","","1.621","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309781","11.2082","0.0017","6.2933","0.0009","21.808","0.003","90","","102.352","0.003","90","","1502.7","0.4","173","2","173","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C25 H42 Br2 N4 Ni2 O S2 -","- C24 H38 Br2 N4 Ni2 S2 -","- C48 H76 Br4 N8 Ni4 S4 -","2","0.5","","David P. Goldberg; Robert C. di Targiani; Frances Namuswe; Ellen C. Minnihan; SeChin Chang; Lev N. Zakharov; Arnold L. Rheingold","Phosphate Triester Hydrolysis Promoted by an N2S(thiolate)Zn Complex: Mechanistic Implications for the Metal-Dependent Reactivity of Peptide Deformylase","Inorganic Chemistry","2005","44","","7559","7569","10.1021/ic0511571","","","0.71073","MoKα","","0.0527","0.0441","","","0.1194","0.128","","","","","","0.976","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309782","9.232","0.003","9.634","0.003","16.524","0.005","93.439","0.017","94.924","0.018","107.698","0.017","1389.2","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H38 Cl2 Fe2 N4 S2 -","- C24 H38 Cl2 Fe2 N4 S2 -","- C48 H76 Cl4 Fe4 N8 S4 -","2","1","","David P. Goldberg; Robert C. di Targiani; Frances Namuswe; Ellen C. Minnihan; SeChin Chang; Lev N. Zakharov; Arnold L. Rheingold","Phosphate Triester Hydrolysis Promoted by an N2S(thiolate)Zn Complex: Mechanistic Implications for the Metal-Dependent Reactivity of Peptide Deformylase","Inorganic Chemistry","2005","44","","7559","7569","10.1021/ic0511571","","","0.71073","MoKα","","0.0811","0.0566","","","0.1333","0.1762","","","","","","1.129","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309783","9.7149","0.0006","11.3826","0.0007","19.0621","0.0011","90","","102.725","0.001","90","","2056.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl6 N2 O2 P2 U -","- C38 H36 Cl6 N2 O2 P2 U -","- C76 H72 Cl12 N4 O4 P4 U2 -","2","0.5","","Mark J. Sarsfield; Iain May; Stephanie M. Cornet; Madeleine Helliwell","Preference for Nitrogen versus Oxygen Donor Coordination in Uranyl- and Neptunyl(VI) Complexes","Inorganic Chemistry","2005","44","","7310","7312","10.1021/ic051161c","","","0.71073","MoKα","","0.0177","0.0149","","","0.0358","0.0366","","","","","","1.041","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309784","9.3293","0.0006","10.8783","0.0007","12.2488","0.0007","101.626","0.001","107.701","0.001","111.912","0.001","1026.55","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Cu Mo6 O31 -","- C24 H40 Cu Mo6 O31 -","- C24 H40 Cu Mo6 O31 -","1","0.5","","Vaddypally Shivaiah; Samar K. Das","Inclusion of a Cu2+ Ion by a Large-Cavity Crown Ether Dibenzo-24-Crown-8 through Supramolecular Interactions","Inorganic Chemistry","2005","44","","7313","7315","10.1021/ic051176a","","","0.71073","MoKα","","0.0273","0.0241","","","0.0613","0.0627","","","","","","1.055","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309785","11.157","0.011","7.528","0.007","20.34","0.02","90","","96.805","0.012","90","","1696","3","113","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Fe N2 -","- C22 H18 Fe N2 -","- C88 H72 Fe4 N8 -","4","1","","Aiko Sakamoto; Akira Hirooka; Kosuke Namiki; Masato Kurihara; Masaki Murata; Manabu Sugimoto; Hiroshi Nishihara","Photon-, Electron-, and Proton-Induced Isomerization Behavior of Ferrocenylazobenzenes","Inorganic Chemistry","2005","44","","7547","7558","10.1021/ic051184r","","","0.7107","MoKα","","","0.0473","","","","0.0904","","","","","","1.115","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309786","10.61","0.01","7.825","0.01","21.57","0.03","90","","92.808","0.008","90","","1789","4","113","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl Fe N2 -","- C22 H17 Cl Fe N2 -","- C88 H68 Cl4 Fe4 N8 -","4","1","","Aiko Sakamoto; Akira Hirooka; Kosuke Namiki; Masato Kurihara; Masaki Murata; Manabu Sugimoto; Hiroshi Nishihara","Photon-, Electron-, and Proton-Induced Isomerization Behavior of Ferrocenylazobenzenes","Inorganic Chemistry","2005","44","","7547","7558","10.1021/ic051184r","","","0.71069","MoKα","","","0.0416","","","","0.0988","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309787","25.55","0.02","11.318","0.007","5.848","0.004","90","","90","","90","","1691","2","113","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 Fe N2 O -","- C22 H18 Fe N2 O -","- C88 H72 Fe4 N8 O4 -","4","1","","Aiko Sakamoto; Akira Hirooka; Kosuke Namiki; Masato Kurihara; Masaki Murata; Manabu Sugimoto; Hiroshi Nishihara","Photon-, Electron-, and Proton-Induced Isomerization Behavior of Ferrocenylazobenzenes","Inorganic Chemistry","2005","44","","7547","7558","10.1021/ic051184r","","","0.7107","MoKα","","","0.041","","","","0.092","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309788","14.002","0.003","20.058","0.004","17.647","0.004","90","","104.511","0.004","90","","4798.1","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H62 I4 N8 O6.57 -","- C36 H62 I4 N8 O6.57 -","- C144 H248 I16 N32 O26.28 -","4","1","","P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh","Counteranion-Controlled Water Cluster Recognition in a Protonated Octaamino Cryptand","Inorganic Chemistry","2005","44","","7540","7546","10.1021/ic051191f","","","0.71073","MoKα","","0.0601","0.05","","","0.1234","0.13","","","","","","1.053","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309789","20.8971","0.0014","12.3263","0.0008","21.86","0.0015","90","","105.205","0.001","90","","5433.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 Br4.5 N4 O2 -","- C18 H32 Br4.5 N4 O2 -","- C144 H256 Br36 N32 O16 -","8","1","","P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh","Counteranion-Controlled Water Cluster Recognition in a Protonated Octaamino Cryptand","Inorganic Chemistry","2005","44","","7540","7546","10.1021/ic051191f","","","0.71073","MoKα","","0.0436","0.0309","","","0.0767","0.0879","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309790","12.548","0.002","12.548","0.002","20.391","0.007","90","","90","","120","","2780.5","1.1","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C6 H10 Cl1.17 N1.33 O1.81 -","- C6 H10 Cl1.16667 N1.33333 O1.81333 -","- C72 H120 Cl14 N16 O21.76 -","12","1","","P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh","Counteranion-Controlled Water Cluster Recognition in a Protonated Octaamino Cryptand","Inorganic Chemistry","2005","44","","7540","7546","10.1021/ic051191f","","","0.71073","MoKα","","0.106","0.0826","","","0.1792","0.1969","","","","","","1.226","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309791","9.697","0.0019","13.235","0.003","14.971","0.003","93.74","0.03","96.9","0.03","107.5","0.03","1808.7","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H35 B Cl4 N7 Nb S3 -","- C25 H35 B Cl4 N7 Nb S3 -","- C50 H70 B2 Cl8 N14 Nb2 S6 -","2","1","","Anthony F. Hill; A. David Rae; Matthew K. Smith","Niobium and Tantalum Tris(methimazolyl)borate Complexes [M(NC6H3iPr2-2,6)Cl2{HB(mt)3}] (M = Nb, Ta; mt = Methimazolyl)","Inorganic Chemistry","2005","44","","7316","7318","10.1021/ic051218v","","","0.71073","MoKα","","0.0726","0.0447","","","0.0904","0.1018","","","","","","1.025","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309792","18.799","0.004","14.606","0.003","12.791","0.003","90","","90","","90","","3512.1","1.3","200","2","200","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C28 H41 B Cl2 N7 O S3 Ta -","- C28 H41 B Cl2 N7 O S3 Ta -","- C112 H164 B4 Cl8 N28 O4 S12 Ta4 -","4","0.5","","Anthony F. Hill; A. David Rae; Matthew K. Smith","Niobium and Tantalum Tris(methimazolyl)borate Complexes [M(NC6H3iPr2-2,6)Cl2{HB(mt)3}] (M = Nb, Ta; mt = Methimazolyl)","Inorganic Chemistry","2005","44","","7316","7318","10.1021/ic051218v","","","0.71073","MoKα","","0.092","0.039","","","0.036","0.036","","","","","","1.5","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309793","11.4158","0.0005","18.434","0.0008","20.0106","0.0009","112.227","0.001","94.731","0.001","100.766","0.001","3774.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H101 Mo N7 O2 Ti -","- C79 H101 Mo N7 O2 Ti -","- C158 H202 Mo2 N14 O4 Ti2 -","2","1","","Arjun Mendiratta; Christopher C. Cummins","Heterobimetallic Reductive Cross-Coupling of Benzonitrile with Carbon Dioxide, Pyridine, and Benzophenone","Inorganic Chemistry","2005","44","","7319","7321","10.1021/ic051320s","","","0.71073","MoKα","","0.0675","0.0492","","","0.1258","0.1354","","","","","","1.04","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309794","26.29","0.003","13.1974","0.0012","28.668","0.003","90","","111.657","0.002","90","","9244.5","1.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98 H137 Mo N7 O2 Ti -","- C98 H137 Mo N7 O2 Ti -","- C392 H548 Mo4 N28 O8 Ti4 -","4","1","","Arjun Mendiratta; Christopher C. Cummins","Heterobimetallic Reductive Cross-Coupling of Benzonitrile with Carbon Dioxide, Pyridine, and Benzophenone","Inorganic Chemistry","2005","44","","7319","7321","10.1021/ic051320s","","","0.71073","MoKα","","0.2109","0.1022","","","0.2247","0.2942","","","","","","0.859","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309795","12.0545","0.0005","13.3731","0.0005","14.7826","0.0006","100.86","0.001","94.265","0.001","114.653","0.001","2095.58","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[MeB(3-(CF3)Pz)3]CuSnCl[(Bn)2ATI]-Tol","","","- C41 H36 B Cl Cu F9 N8 Sn -","- C41 H36 B Cl Cu F9 N8 Sn -","- C82 H72 B2 Cl2 Cu2 F18 N16 Sn2 -","2","1","","H. V. Rasika Dias; Xiaoyu Wang; Himashinie V. K. Diyabalanage","Fluorinated Tris(pyrazolyl)borate Ligands without the Problematic Hydride Moiety: Isolation of Copper(I) Ethylene and Copper(I)-Tin(II) Complexes Using [MeB(3-(CF3)Pz)3]-","Inorganic Chemistry","2005","44","","7322","7324","10.1021/ic0513235","","","0.71073","MoKα","","0.0316","0.0268","","","0.0625","0.0729","","","","","","1.122","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309796","15.9205","0.0009","13.5795","0.0008","8.4035","0.0005","90","","90","","90","","1816.77","0.18","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[MeB(3-(CF3)Pz)3]Tl","","","- C13 H9 B F9 N6 Tl -","- C13 H9 B F9 N6 Tl -","- C52 H36 B4 F36 N24 Tl4 -","4","0.5","","H. V. Rasika Dias; Xiaoyu Wang; Himashinie V. K. Diyabalanage","Fluorinated Tris(pyrazolyl)borate Ligands without the Problematic Hydride Moiety: Isolation of Copper(I) Ethylene and Copper(I)-Tin(II) Complexes Using [MeB(3-(CF3)Pz)3]-","Inorganic Chemistry","2005","44","","7322","7324","10.1021/ic0513235","","","0.71073","MoKα","","0.0161","0.0157","","","0.0413","0.0415","","","","","","1.108","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309797","21.19","0.004","10.405","0.002","20.33","0.004","90","","117.336","0.002","90","","3981.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[MeB(3-(CF3)Pz)3]CuC2H4","","","- C15 H13 B Cu F9 N6 -","- C15 H13 B Cu F9 N6 -","- C120 H104 B8 Cu8 F72 N48 -","8","1","","H. V. Rasika Dias; Xiaoyu Wang; Himashinie V. K. Diyabalanage","Fluorinated Tris(pyrazolyl)borate Ligands without the Problematic Hydride Moiety: Isolation of Copper(I) Ethylene and Copper(I)-Tin(II) Complexes Using [MeB(3-(CF3)Pz)3]-","Inorganic Chemistry","2005","44","","7322","7324","10.1021/ic0513235","","","0.71073","MoKα","","0.0402","0.0359","","","0.0899","0.0929","","","","","","1.039","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309798","15.2088","0.0001","18.5883","0.0003","25.7347","0.0002","90","","90","","90","","7275.35","0.14","203","2","203","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H24 Ag F6 N9 O6 P4 -","- C30 H24 Ag F6 N9 O6 P4 -","- C240 H192 Ag8 F48 N72 O48 P32 -","8","1","","Eric W. Ainscough; Andrew M. Brodie; Craig V. Depree; Geoffrey B. Jameson; Carl A. Otter","Polymer Building Blocks: Self-Assembly of Silver(I) Cyclotriphosphazene Cationic Columns","Inorganic Chemistry","2005","44","","7325","7327","10.1021/ic051334y","","","0.71073","MoKα","","0.0349","0.029","","","0.0751","0.08","","","","","","1.139","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309799","18.8252","0.0001","10.7023","0.0002","21.6663","0.0003","90","","91.268","0.001","90","","4364.1","0.1","84","2","84","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37.33 H38.66 Ag Cl2.66 N10 O9 P3 -","- C36.292 H36 Ag N10 O9 P3 -","- C145.168 H144 Ag4 N40 O36 P12 -","4","1","","Eric W. Ainscough; Andrew M. Brodie; Craig V. Depree; Geoffrey B. Jameson; Carl A. Otter","Polymer Building Blocks: Self-Assembly of Silver(I) Cyclotriphosphazene Cationic Columns","Inorganic Chemistry","2005","44","","7325","7327","10.1021/ic051334y","","","0.71073","MoKα","","0.0794","0.054","","","0.1468","0.1602","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309800","19.1972","0.0002","33.2535","0.0004","16.5053","0.0002","90","","114.932","0.001","90","","9554.6","0.2","84","2","84","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H85 Cu2 F12 N21 O14 P8 -","- C82 H82 Cu2 F12 N21 O14 P8 -","- C328 H328 Cu8 F48 N84 O56 P32 -","4","1","","Eric W. Ainscough; Andrew M. Brodie; Craig V. Depree; Geoffrey B. Jameson; Carl A. Otter","Polymer Building Blocks: Self-Assembly of Silver(I) Cyclotriphosphazene Cationic Columns","Inorganic Chemistry","2005","44","","7325","7327","10.1021/ic051334y","","","0.71073","MoKα","","0.1742","0.0838","","","0.1424","0.1754","","","","","","1.039","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309801","11.372","0.001","17.2717","0.001","5.7028","0.001","90","","114.25","","90","","1021.3","0.2","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H2 O7 Pb4 -","- C4 H2 O7.5 Pb4 -","- C16 H8 O30 Pb16 -","4","0.5","","François Bonhomme; Todd M. Alam; Aaron J. Celestian; David R. Tallant; Timothy J. Boyle; Brian R. Cherry; Ralph G. Tissot; Mark A. Rodriguez; John B. Parise; May Nyman","Tribasic Lead Maleate and Lead Maleate: Synthesis and Structural and Spectroscopic Characterizations","Inorganic Chemistry","2005","44","","7394","7402","10.1021/ic050611y","","","","","","","","","","","","","","","","","","","","","has coordinates","208247","2020-10-21","18:00:00",""
"4309802","16.4039","0.0002","16.1017","0.0002","14.0453","0.0002","90","","96.354","0.001","90","","3687.01","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cl1.5 Er3 N3 O19.5 -","- Cl1.5 Er3 N3 O19.5 -","- Cl12 Er24 N24 O156 -","8","1","","Mahé, N.; Guillou, O.; Daiguebonne, C.; Gérault, Y.; Caneschi, A.; Sangregorio, C.; Chane-Ching, J. Y.; Car, P. E.; Roisnel, T.","Polynuclear Lanthanide Hydroxo Complexes: New Chemical Precursors for Coordination Polymers","Inorganic Chemistry","2005","44","22","7743","7750","10.1021/ic0401086","","","0.71073","MoKα","","0.0507","0.0389","","","0.0977","0.1042","","","","","","1.042","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309803","10.2125","0.0002","12.5924","0.0002","15.3708","0.0003","83.231","0.0007","87.42","0.0007","87.065","0.0014","1958.81","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl Er6 N7 O44 -","- Cl Er6 N7 O44 -","- Cl2 Er12 N14 O88 -","2","1","","Mahé, N.; Guillou, O.; Daiguebonne, C.; Gérault, Y.; Caneschi, A.; Sangregorio, C.; Chane-Ching, J. Y.; Car, P. E.; Roisnel, T.","Polynuclear Lanthanide Hydroxo Complexes: New Chemical Precursors for Coordination Polymers","Inorganic Chemistry","2005","44","22","7743","7750","10.1021/ic0401086","","","0.71069","MoKα","","0.0904","0.0619","","","0.1561","0.1753","","","","","","1.04","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309804","12.5809","0.0002","10.18","0.0002","15.6655","0.0003","90","","97.629","0.0007","90","","1988.58","0.06","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cluster oxo hydroxo hexanuclear of yttrium nitrate hydrate","mu6-oxo octa-mu3-hydroxo hexa-nitrato dodeca-aquo hexa-yttrium dinitrato dihydrate","","- N4 O23.5 Y3 -","- N4 O23.5 Y3 -","- N16 O94 Y12 -","4","1","","Mahé, N.; Guillou, O.; Daiguebonne, C.; Gérault, Y.; Caneschi, A.; Sangregorio, C.; Chane-Ching, J. Y.; Car, P. E.; Roisnel, T.","Polynuclear Lanthanide Hydroxo Complexes: New Chemical Precursors for Coordination Polymers","Inorganic Chemistry","2005","44","22","7743","7750","10.1021/ic0401086","","x-ray","0.71069","MoKα","","0.0809","0.0511","","","0.1167","0.1298","","","","","","1.053","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309805","12.7255","0.0003","18.9817","0.0004","17.5142","0.0004","90","","106.968","0.0011","90","","4046.42","0.16","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- N8 O50 Y6 -","- N8 O50 Y6 -","- N32 O200 Y24 -","4","0.5","","Mahé, N.; Guillou, O.; Daiguebonne, C.; Gérault, Y.; Caneschi, A.; Sangregorio, C.; Chane-Ching, J. Y.; Car, P. E.; Roisnel, T.","Polynuclear Lanthanide Hydroxo Complexes: New Chemical Precursors for Coordination Polymers","Inorganic Chemistry","2005","44","22","7743","7750","10.1021/ic0401086","","","0.71069","MoKα","","0.0809","0.0473","","","0.108","0.1239","","","","","","1.065","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309806","9.995","0.0001","10.0266","0.0002","11.308","0.0002","96.524","0.0007","108.701","0.0007","110.792","0.0011","969.84","0.03","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- N8 O49 Yb6 -","- N8 O49 Yb6 -","- N8 O49 Yb6 -","1","0.5","","Mahé, N.; Guillou, O.; Daiguebonne, C.; Gérault, Y.; Caneschi, A.; Sangregorio, C.; Chane-Ching, J. Y.; Car, P. E.; Roisnel, T.","Polynuclear Lanthanide Hydroxo Complexes: New Chemical Precursors for Coordination Polymers","Inorganic Chemistry","2005","44","22","7743","7750","10.1021/ic0401086","","","0.71073","MoKα","","0.0429","0.036","","","0.0851","0.089","","","","","","1.084","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309807","8.139","0.002","12.057","0.004","15.201","0.005","95.69","0.01","105.07","0.01","94.69","0.02","1424.3","0.8","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H39 N3 O2 Si2 Zn -","- C25 H39 N3 O2 Si2 Zn -","- C50 H78 N6 O4 Si4 Zn2 -","2","1","","Malcolm H. Chisholm; Judith C. Gallucci; Khamphee Phomphrai","Comparative Study of the Coordination Chemistry and Lactide Polymerization of Alkoxide and Amide Complexes of Zinc and Magnesium with a β-Diiminato Ligand Bearing Ether Substituents","Inorganic Chemistry","2005","44","","8004","8010","10.1021/ic048363d","","","0.71073","MoKα","","0.0788","0.0595","","0.1571","","0.1434","","","1.047","","","1.079","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309808","10.507","0.001","23.713","0.002","11.334","0.001","90","","90.19","0.01","90","","2823.9","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 Mg N3 O2 Si2 -","- C25 H39 Mg N3 O2 Si2 -","- C100 H156 Mg4 N12 O8 Si8 -","4","1","","Malcolm H. Chisholm; Judith C. Gallucci; Khamphee Phomphrai","Comparative Study of the Coordination Chemistry and Lactide Polymerization of Alkoxide and Amide Complexes of Zinc and Magnesium with a β-Diiminato Ligand Bearing Ether Substituents","Inorganic Chemistry","2005","44","","8004","8010","10.1021/ic048363d","","","0.71073","MoKα","","0.0656","0.0413","","0.1207","","0.1086","","","1.033","","","1.113","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309809","11.219","0.001","19.481","0.003","11.319","0.001","90","","109.44","0.01","90","","2332.8","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H60 Mg2 N4 O6 -","- C46 H60 Mg2 N4 O6 -","- C92 H120 Mg4 N8 O12 -","2","0.5","","Malcolm H. Chisholm; Judith C. Gallucci; Khamphee Phomphrai","Comparative Study of the Coordination Chemistry and Lactide Polymerization of Alkoxide and Amide Complexes of Zinc and Magnesium with a β-Diiminato Ligand Bearing Ether Substituents","Inorganic Chemistry","2005","44","","8004","8010","10.1021/ic048363d","","","0.71073","MoKα","","0.0826","0.0513","","0.1457","","0.1257","","","1.02","","","1.064","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309810","8.7114","0.001","26.102","0.004","15.8323","0.0014","90","","104.134","0.006","90","","3491","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H86 F12 Fe2 N8 O3 P2 -","- C70 H85.574 F12 Fe2 N8 O3 P2 -","- C140 H171.148 F24 Fe4 N16 O6 P4 -","2","0.5","","Mozhgan Khorasani-Motlagh; Nasser Safari; Meissam Noroozifar; Jilla Saffari; Mahtab Biabani; Júlio S. Rebouças; Brian O. Patrick","New Class of Verdoheme Analogues with Weakly Coordinating Anions: The Structure of (μ-Oxo)bis[(octaethyloxoporphinato)iron(III)] Hexafluorophosphate","Inorganic Chemistry","2005","44","","7762","7769","10.1021/ic050211a","","","0.71073","MoKα","","0.1058","0.0546","","","0.1145","0.1331","","","","","","1.016","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309811","10.3424","0.0004","12.9104","0.0005","19.8601","0.0007","90","","104.316","0.0009","90","","2569.46","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 F7 Ir N7 -","- C27 H15 F7 Ir N7 -","- C108 H60 F28 Ir4 N28 -","4","1","","Cheng-Han Yang; Shih-Wen Li; Yun Chi; Yi-Ming Cheng; Yu-Shan Yeh; Pi-Tai Chou; Gene-Hsiang Lee; Chih-Hsiang Wang; Ching-Fong Shu","Heteroleptic Cyclometalated Iridium(III) Complexes Displaying Blue Phosphorescence in Solution and Solid State at Room Temperature","Inorganic Chemistry","2005","44","","7770","7780","10.1021/ic050311g","","","0.71073","MoKα","","0.0348","0.0274","","","0.0663","0.0696","","","","","","1.017","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309812","9.3973","0.0004","12.6736","0.0005","17.8433","0.0007","103.941","0.001","99.917","0.001","107.633","0.001","1895.27","0.13","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl4 F9 Ir N8 -","- C34 H28 Cl4 F9 Ir N8 -","- C68 H56 Cl8 F18 Ir2 N16 -","2","1","","Cheng-Han Yang; Shih-Wen Li; Yun Chi; Yi-Ming Cheng; Yu-Shan Yeh; Pi-Tai Chou; Gene-Hsiang Lee; Chih-Hsiang Wang; Ching-Fong Shu","Heteroleptic Cyclometalated Iridium(III) Complexes Displaying Blue Phosphorescence in Solution and Solid State at Room Temperature","Inorganic Chemistry","2005","44","","7770","7780","10.1021/ic050311g","","","0.71073","MoKα","","0.0302","0.0279","","","0.0673","0.0687","","","","","","1.064","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309813","10.1579","0.0007","10.364","0.0008","33.313","0.004","90","","90","","90","","3507.1","0.6","293","2","293","2","","","","","","","","5","C 2 c b","C -2ac 2","41","","","","- C19 H16 Cu N2 O5 -","- C19 H14 Cu N2 O5 -","- C152 H112 Cu8 N16 O40 -","8","","","Jorge Pasán; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","Polymeric Networks of Copper(II) Phenylmalonate with Heteroaromatic N-donor Ligands: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2005","44","","7794","7801","10.1021/ic0503986","","x-ray","0.71073","MoKα","","0.0577","0.0485","","","0.1228","0.1282","","","","","","1.038","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309814","9.0837","0.0006","9.3514","0.0004","11.0831","0.0008","90","","107.807","0.006","90","","896.35","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Cu N2 O6 -","- C19 H14 Cu N2 O6 -","- C38 H28 Cu2 N4 O12 -","2","1","","Jorge Pasán; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","Polymeric Networks of Copper(II) Phenylmalonate with Heteroaromatic N-donor Ligands: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2005","44","","7794","7801","10.1021/ic0503986","","x-ray","0.71073","MoKα","","0.0525","0.0394","","","0.0858","0.0907","","","","","","1.025","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309815","13.176","0.002","22.736","0.004","19.606","0.003","90","","96.132","0.003","90","","5839.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H170 Cu6 N16 O37 -","- C74 H170 Cu6 N16 O37 -","- C148 H340 Cu12 N32 O74 -","2","0.5","","Jian-Hao Zhou; Ru-Mei Cheng; You Song; Yi-Zhi Li; Zhi Yu; Xue-Tai Chen; Zi-Ling Xue; Xiao-Zeng You","Syntheses, Structures, and Magnetic Properties of Unusual Nonlinear Polynuclear Copper(II) Complexes Containing Derivatives of 1,2,4-Triazole and Pivalate Ligands","Inorganic Chemistry","2005","44","","8011","8022","10.1021/ic050475x","","","0.71073","MoKα","","0.0684","0.0494","","","0.1163","0.1231","","","","","","0.999","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309816","13.9418","0.0015","19.2427","0.0019","11.7282","0.0012","90","","101.708","0.002","90","","3081","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H148 Cu8 N16 O34 -","- C72 H148 Cu8 N16 O34 -","- C72 H148 Cu8 N16 O34 -","1","0.25","","Jian-Hao Zhou; Ru-Mei Cheng; You Song; Yi-Zhi Li; Zhi Yu; Xue-Tai Chen; Zi-Ling Xue; Xiao-Zeng You","Syntheses, Structures, and Magnetic Properties of Unusual Nonlinear Polynuclear Copper(II) Complexes Containing Derivatives of 1,2,4-Triazole and Pivalate Ligands","Inorganic Chemistry","2005","44","","8011","8022","10.1021/ic050475x","","","0.71073","MoKα","","0.1244","0.0641","","","0.1534","0.1736","","","","","","1.03","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309817","9.933","0.005","13.475","0.007","13.758","0.007","110.756","0.009","101.8","0.009","104.429","0.009","1578.1","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H86 Cu4 N6 O18 -","- C42 H86 Cu4 N6 O18 -","- C42 H86 Cu4 N6 O18 -","1","0.5","","Jian-Hao Zhou; Ru-Mei Cheng; You Song; Yi-Zhi Li; Zhi Yu; Xue-Tai Chen; Zi-Ling Xue; Xiao-Zeng You","Syntheses, Structures, and Magnetic Properties of Unusual Nonlinear Polynuclear Copper(II) Complexes Containing Derivatives of 1,2,4-Triazole and Pivalate Ligands","Inorganic Chemistry","2005","44","","8011","8022","10.1021/ic050475x","","","0.71073","MoKα","","0.0733","0.0541","","","0.1159","0.1202","","","","","","0.983","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309818","14.843","0.003","16.772","0.003","16.935","0.003","69.443","0.004","89.05","0.003","65.844","0.003","3561.7","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H202 Cu8 N32 O41 -","- C92 H202 Cu8 N32 O41 -","- C92 H202 Cu8 N32 O41 -","1","0.5","","Jian-Hao Zhou; Ru-Mei Cheng; You Song; Yi-Zhi Li; Zhi Yu; Xue-Tai Chen; Zi-Ling Xue; Xiao-Zeng You","Syntheses, Structures, and Magnetic Properties of Unusual Nonlinear Polynuclear Copper(II) Complexes Containing Derivatives of 1,2,4-Triazole and Pivalate Ligands","Inorganic Chemistry","2005","44","","8011","8022","10.1021/ic050475x","","","0.71073","MoKα","","0.0741","0.0544","","","0.1086","0.113","","","","","","1.058","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309819","11.2411","0.0008","14.4222","0.001","13.7402","0.001","90","","110.559","0.001","90","","2085.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Cl2 Cu2 N5 S -","- C21 H14 Cl2 Cu2 N5 S -","- C84 H56 Cl8 Cu8 N20 S4 -","4","1","","Lei Hou; Dan Li; Wen-Juan Shi; Ye-Gao Yin; Seik Weng Ng","Ligand-Controlled Mixed-Valence Copper Rectangular Grid-Type Coordination Polymers Based on Pyridylterpyridine","Inorganic Chemistry","2005","44","","7825","7832","10.1021/ic050558d","","","0.71073","MoKα","","0.0785","0.0521","","","0.1087","0.1198","","","","","","1.053","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309820","8.9683","0.0005","9.3766","0.0005","13.6302","0.0008","74.33","0.001","78.684","0.001","84.784","0.001","1081.27","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cl Cu2 I2 N4 -","- C20 H14 Cl Cu2 I2 N4 -","- C40 H28 Cl2 Cu4 I4 N8 -","2","1","","Lei Hou; Dan Li; Wen-Juan Shi; Ye-Gao Yin; Seik Weng Ng","Ligand-Controlled Mixed-Valence Copper Rectangular Grid-Type Coordination Polymers Based on Pyridylterpyridine","Inorganic Chemistry","2005","44","","7825","7832","10.1021/ic050558d","","","0.71073","MoKα","","0.0348","0.0295","","","0.0766","0.0867","","","","","","1.105","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309821","8.8681","0.0018","9.2275","0.0018","13.892","0.003","73.87","0.03","76.38","0.03","84.53","0.03","1060.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Br3 Cu2 N4 -","- C20 H14 Br3 Cu2 N4 -","- C40 H28 Br6 Cu4 N8 -","2","1","","Lei Hou; Dan Li; Wen-Juan Shi; Ye-Gao Yin; Seik Weng Ng","Ligand-Controlled Mixed-Valence Copper Rectangular Grid-Type Coordination Polymers Based on Pyridylterpyridine","Inorganic Chemistry","2005","44","","7825","7832","10.1021/ic050558d","","","0.71073","MoKα","","0.0746","0.0593","","","0.1757","0.1882","","","","","","1.07","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309822","22.767","0.005","13.547","0.003","15.01","0.003","90","","92.18","0.004","90","","4626.1","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 Cu2 N7 S3 -","- C23 H14 Cu2 N7 S3 -","- C184 H112 Cu16 N56 S24 -","8","1","","Lei Hou; Dan Li; Wen-Juan Shi; Ye-Gao Yin; Seik Weng Ng","Ligand-Controlled Mixed-Valence Copper Rectangular Grid-Type Coordination Polymers Based on Pyridylterpyridine","Inorganic Chemistry","2005","44","","7825","7832","10.1021/ic050558d","","","0.71073","MoKα","","0.1006","0.0678","","","0.1435","0.1615","","","","","","1.103","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309823","8.2121","0.0005","11.8356","0.0008","13.4445","0.0009","71.227","0.001","88.312","0.001","73.112","0.001","1180.91","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H14 Cu2 N7 S3 -","- C23 H14 Cu2 N7 S3 -","- C46 H28 Cu4 N14 S6 -","2","1","","Lei Hou; Dan Li; Wen-Juan Shi; Ye-Gao Yin; Seik Weng Ng","Ligand-Controlled Mixed-Valence Copper Rectangular Grid-Type Coordination Polymers Based on Pyridylterpyridine","Inorganic Chemistry","2005","44","","7825","7832","10.1021/ic050558d","","","0.71073","MoKα","","0.055","0.043","","","0.11","0.122","","","","","","1.04","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309824","7.2969","0.0006","13.2198","0.001","13.2833","0.001","111.543","0.001","96.854","0.001","93.909","0.001","1174.59","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H14 Cu2 N7 S3 -","- C23 H14 Cu2 N7 S3 -","- C46 H28 Cu4 N14 S6 -","2","1","","Lei Hou; Dan Li; Wen-Juan Shi; Ye-Gao Yin; Seik Weng Ng","Ligand-Controlled Mixed-Valence Copper Rectangular Grid-Type Coordination Polymers Based on Pyridylterpyridine","Inorganic Chemistry","2005","44","","7825","7832","10.1021/ic050558d","","","0.71073","MoKα","","0.055","0.0415","","","0.1052","0.1247","","","","","","1.097","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309825","26.729","0.003","13.0101","0.001","20.98","0.002","90","","95.253","0.01","90","","7265.1","1.2","220","2","220","2","","","","","","","Synthesized by the authors. See text","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 Ag2 F12 O2 P2 S8 -","- C66 H76 Ag2 F12 O2 P2 S8 -","- C264 H304 Ag8 F48 O8 P8 S32 -","4","1","","Mohamed Osman Awaleh; Antonella Badia; François Brisse","Coordination Networks with Flexible Ligands Based on Silver(I) Salts: Complexes of 1,3-Bis(phenylthio)propane with Silver(I) Salts of PF6-, CF3COO-, CF3CF2COO-, CF3CF2CF2COO-,p-TsO-, and CF3SO3-","Inorganic Chemistry","2005","44","","7833","7845","10.1021/ic050617n","","","1.54178","CuKα","","0.0727","0.0622","","","0.1746","0.1831","","","","","","1.072","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309826","26.1193","0.002","11.2175","0.001","7.637","0.001","90","","91.709","0.01","90","","2236.6","0.4","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Ag2 F6 O4 S2 -","- C19 H16 Ag2 F6 O4 S2 -","- C76 H64 Ag8 F24 O16 S8 -","4","1","","Mohamed Osman Awaleh; Antonella Badia; François Brisse","Coordination Networks with Flexible Ligands Based on Silver(I) Salts: Complexes of 1,3-Bis(phenylthio)propane with Silver(I) Salts of PF6-, CF3COO-, CF3CF2COO-, CF3CF2CF2COO-,p-TsO-, and CF3SO3-","Inorganic Chemistry","2005","44","","7833","7845","10.1021/ic050617n","","","1.54178","CuKα","","0.0495","0.0446","","","0.1099","0.1129","","","","","","1.007","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309827","25.5907","0.0003","8.4233","0.0001","29.4683","0.0003","90","","107.886","0.001","90","","6045.13","0.12","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Ag2 F10 O5 S2 -","- C24 H22 Ag2 F10 O5 S2 -","- C192 H176 Ag16 F80 O40 S16 -","8","1","","Mohamed Osman Awaleh; Antonella Badia; François Brisse","Coordination Networks with Flexible Ligands Based on Silver(I) Salts: Complexes of 1,3-Bis(phenylthio)propane with Silver(I) Salts of PF6-, CF3COO-, CF3CF2COO-, CF3CF2CF2COO-,p-TsO-, and CF3SO3-","Inorganic Chemistry","2005","44","","7833","7845","10.1021/ic050617n","","","1.54178","CuKα","","0.0545","0.0527","","","0.1357","0.1378","","","","","","1.053","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309828","17.1456","0.0002","8.3145","0.0001","30.1588","0.0003","90","","105.543","0.001","90","","4142.12","0.08","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Ag F7 O2 S2 -","- C19 H16 Ag F7 O2 S2 -","- C152 H128 Ag8 F56 O16 S16 -","8","1","","Mohamed Osman Awaleh; Antonella Badia; François Brisse","Coordination Networks with Flexible Ligands Based on Silver(I) Salts: Complexes of 1,3-Bis(phenylthio)propane with Silver(I) Salts of PF6-, CF3COO-, CF3CF2COO-, CF3CF2CF2COO-,p-TsO-, and CF3SO3-","Inorganic Chemistry","2005","44","","7833","7845","10.1021/ic050617n","","","1.54178","CuKα","","0.0426","0.0367","","","0.0878","0.0902","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309829","15.0658","0.0002","8.8692","0.0001","16.2685","0.0002","90","","93.76","0.001","90","","2169.14","0.05","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Ag O3 S3 -","- C22 H23 Ag O3 S3 -","- C88 H92 Ag4 O12 S12 -","4","1","","Mohamed Osman Awaleh; Antonella Badia; François Brisse","Coordination Networks with Flexible Ligands Based on Silver(I) Salts: Complexes of 1,3-Bis(phenylthio)propane with Silver(I) Salts of PF6-, CF3COO-, CF3CF2COO-, CF3CF2CF2COO-,p-TsO-, and CF3SO3-","Inorganic Chemistry","2005","44","","7833","7845","10.1021/ic050617n","","","1.54178","CuKα","","0.0511","0.0452","","","0.1264","0.1309","","","","","","1.055","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309830","14.6787","0.0003","9.846","0.0002","15.7897","0.0004","90","","99.383","0.002","90","","2251.5","0.09","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Ag O3 S3 -","- C22 H23 Ag O3 S3 -","- C88 H92 Ag4 O12 S12 -","4","1","","Mohamed Osman Awaleh; Antonella Badia; François Brisse","Coordination Networks with Flexible Ligands Based on Silver(I) Salts: Complexes of 1,3-Bis(phenylthio)propane with Silver(I) Salts of PF6-, CF3COO-, CF3CF2COO-, CF3CF2CF2COO-,p-TsO-, and CF3SO3-","Inorganic Chemistry","2005","44","","7833","7845","10.1021/ic050617n","","","1.54178","CuKα","","0.0624","0.0461","","","0.1157","0.1226","","","","","","0.975","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309831","8.4179","0.0002","24.166","0.0004","13.9928","0.0002","90","","93.96","0.001","90","","2839.72","0.09","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Ag2 F6 O7 S4 -","- C20 H22 Ag2 F6 O7 S4 -","- C80 H88 Ag8 F24 O28 S16 -","4","1","","Mohamed Osman Awaleh; Antonella Badia; François Brisse","Coordination Networks with Flexible Ligands Based on Silver(I) Salts: Complexes of 1,3-Bis(phenylthio)propane with Silver(I) Salts of PF6-, CF3COO-, CF3CF2COO-, CF3CF2CF2COO-,p-TsO-, and CF3SO3-","Inorganic Chemistry","2005","44","","7833","7845","10.1021/ic050617n","","","1.54178","CuKα","","0.0669","0.0561","","","0.1366","0.1433","","","","","","0.975","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309832","28.9764","0.001","4.8104","0.0002","20.3261","0.0007","90","","119.012","0.001","90","","2477.7","0.16","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H8 Ag F3 O3 S2 -","- C8.5 H8 Ag F3 O3 S2 -","- C68 H64 Ag8 F24 O24 S16 -","8","1","","Mohamed Osman Awaleh; Antonella Badia; François Brisse","Coordination Networks with Flexible Ligands Based on Silver(I) Salts: Complexes of 1,3-Bis(phenylthio)propane with Silver(I) Salts of PF6-, CF3COO-, CF3CF2COO-, CF3CF2CF2COO-,p-TsO-, and CF3SO3-","Inorganic Chemistry","2005","44","","7833","7845","10.1021/ic050617n","","","1.54178","CuKα","","0.0608","0.0367","","","0.0727","0.0778","","","","","","0.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309833","8.1416","0.0001","23.6395","0.0002","12.3921","0.0001","90","","90.7567","0.001","90","","2384.82","0.04","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Ag2 F6 O6 S4 -","- C17 H16 Ag2 F6 O6 S4 -","- C68 H64 Ag8 F24 O24 S16 -","4","1","","Mohamed Osman Awaleh; Antonella Badia; François Brisse","Coordination Networks with Flexible Ligands Based on Silver(I) Salts: Complexes of 1,3-Bis(phenylthio)propane with Silver(I) Salts of PF6-, CF3COO-, CF3CF2COO-, CF3CF2CF2COO-,p-TsO-, and CF3SO3-","Inorganic Chemistry","2005","44","","7833","7845","10.1021/ic050617n","","","1.54178","CuKα","","0.0511","0.0476","","","0.1298","0.1516","","","","","","1.111","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309834","6.3778","0.0005","9.1886","0.0007","14.2064","0.0009","90","","93.633","0.008","90","","830.87","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H7 Cu N11 -","- C2 H7 Cu N11 -","- C8 H28 Cu4 N44 -","4","1","","Manfred Friedrich; Juan Carlos Gálvez-Ruiz; Thomas M. Klapötke; Peter Mayer; Birgit Weber; Jan J. Weigand","BTA Copper Complexes","Inorganic Chemistry","2005","44","","8044","8052","10.1021/ic050657r","","","0.71073","MoKα","","0.0356","0.0241","","","0.0539","0.0561","","","","","","0.952","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309835","7.5962","0.0015","13.056","0.003","9.1695","0.0018","90","","94.2","0.03","90","","907","0.3","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H9 Cu N11 O -","- C2 H9 Cu N11 O -","- C8 H36 Cu4 N44 O4 -","4","1","","Manfred Friedrich; Juan Carlos Gálvez-Ruiz; Thomas M. Klapötke; Peter Mayer; Birgit Weber; Jan J. Weigand","BTA Copper Complexes","Inorganic Chemistry","2005","44","","8044","8052","10.1021/ic050657r","","","0.71073","MoKα","","0.0293","0.025","","","0.0664","0.0686","","","","","","1.025","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309836","10.2299","0.0011","15.7752","0.0017","18.864","0.002","69.257","0.002","77.285","0.002","73.252","0.002","2702.4","0.5","173","2","173","2","","","","","","","","6","P 1","P 1","1","Fe2O(O2CCH2C10H7)2tren2","","","- C50 H65 B Fe2 N10 O11 -","- C50 H65 B Fe2 N10 O11 -","- C100 H130 B2 Fe4 N20 O22 -","2","2","","Laura B. Picraux; Amanda L. Smeigh; Dong Guo; James K. McCusker","Intramolecular Energy Transfer Involving Heisenberg Spin-Coupled Dinuclear Iron-Oxo Complexes","Inorganic Chemistry","2005","44","","7846","7859","10.1021/ic0506761","","","0.71073","MoKα","","0.1404","0.0685","","","0.0783","0.0919","","","","","","0.911","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309837","22.489","0.005","22.414","0.005","10.422","0.002","90","","90","","90","","5253.4","1.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","[Fe2OnapTPA2](ClO4)3","","","- C48 H45 Cl3 Fe2 N8 O16 -","- C48 H45 Cl3 Fe2 N8 O16 -","- C192 H180 Cl12 Fe8 N32 O64 -","4","1","","Laura B. Picraux; Amanda L. Smeigh; Dong Guo; James K. McCusker","Intramolecular Energy Transfer Involving Heisenberg Spin-Coupled Dinuclear Iron-Oxo Complexes","Inorganic Chemistry","2005","44","","7846","7859","10.1021/ic0506761","","","0.71073","MoKα","","0.0563","0.0475","","","0.1238","0.1304","","","","","","1.058","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309838","15.412","0.003","23.799","0.005","13.06","0.003","90","","90","","90","","4790.3","1.8","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Fe2O(O2CCH2C10H7)2Tp2","","","- C46 H44 B2 Fe2 N14 O5 -","- C46 H44 B2 Fe2 N14 O5 -","- C184 H176 B8 Fe8 N56 O20 -","4","0.5","","Laura B. Picraux; Amanda L. Smeigh; Dong Guo; James K. McCusker","Intramolecular Energy Transfer Involving Heisenberg Spin-Coupled Dinuclear Iron-Oxo Complexes","Inorganic Chemistry","2005","44","","7846","7859","10.1021/ic0506761","","","0.71073","MoKα","","0.0739","0.0395","","","0.0734","0.0836","","","","","","0.941","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309839","11.561","0.003","12.747","0.002","13.333","0.002","98.03","0.02","99.01","0.01","115.28","0.01","1707.2","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H39 Cl Fe N5 O9 Zn -","- C31 H39 Cl Fe N5 O9 Zn -","- C62 H78 Cl2 Fe2 N10 O18 Zn2 -","2","1","","Rosely A. Peralta; Ademir Neves; Adailton J. Bortoluzzi; Annelise Casellato; Ademir dos Anjos; Alessandra Greatti; Fernando R. Xavier; Bruno Szpoganicz","First-Transition-Metal Complexes Containing the Ligands 6-Amino-6-methylperhydro-1,4-diazepine (AAZ) and a New Functionalized Derivative: Can AAZ Act as a Mimetic Ligand for 1,4,7-Triazacyclononane?","Inorganic Chemistry","2005","44","","7690","7692","10.1021/ic050755c","","","0.71069","MoKα","","0.1203","0.0501","","","0.1219","0.1447","","","","","","1.022","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309840","9.3031","0.0007","13.7491","0.0011","9.383","0.0014","90","","119.673","0.005","90","","1042.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl2 N6 Ni O8 -","- C12 H30 Cl2 N6 Ni O8 -","- C24 H60 Cl4 N12 Ni2 O16 -","2","0.5","","Rosely A. Peralta; Ademir Neves; Adailton J. Bortoluzzi; Annelise Casellato; Ademir dos Anjos; Alessandra Greatti; Fernando R. Xavier; Bruno Szpoganicz","First-Transition-Metal Complexes Containing the Ligands 6-Amino-6-methylperhydro-1,4-diazepine (AAZ) and a New Functionalized Derivative: Can AAZ Act as a Mimetic Ligand for 1,4,7-Triazacyclononane?","Inorganic Chemistry","2005","44","","7690","7692","10.1021/ic050755c","","","0.71069","MoKα","","0.0457","0.0311","","","0.0761","0.0817","","","","","","1.067","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309841","12.088","0.002","9.614","0.001","16.7819","0.0007","90","","107.343","0.006","90","","1861.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H29 As Cl N -","- C18 H29 As Cl N -","- C72 H116 As4 Cl4 N4 -","4","1","","Neil Burford; T. Stanley Cameron; Charles L. B. Macdonald; Katherine N. Robertson; Robert Schurko; Denise Walsh; Robert McDonald; Roderick E. Wasylishen","Dissociation of 2,4-Bis(2,4,6-tri-tert-butylphenyl)-cyclo-1,3-dipnicta-2,4-diazanes (pnict = P, As, Sb) Imposed by Substituent Steric Strain: A Cyclobutane/Olefin Analogy","Inorganic Chemistry","2005","44","","8058","8064","10.1021/ic050770h","","","1.5418","CuKα","","0.0949","0.0364","","","0.0919","0.1101","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4309842","11.368","0.002","16.429","0.003","12.013","0.002","90","","90.59","0.03","90","","2243.5","0.7","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 F6 N2 O6 P2 S2 -","- C38 H58 F6 N2 O6 P2 S2 -","- C76 H116 F12 N4 O12 P4 S4 -","2","0.5","","Neil Burford; T. Stanley Cameron; Charles L. B. Macdonald; Katherine N. Robertson; Robert Schurko; Denise Walsh; Robert McDonald; Roderick E. Wasylishen","Dissociation of 2,4-Bis(2,4,6-tri-tert-butylphenyl)-cyclo-1,3-dipnicta-2,4-diazanes (pnict = P, As, Sb) Imposed by Substituent Steric Strain: A Cyclobutane/Olefin Analogy","Inorganic Chemistry","2005","44","","8058","8064","10.1021/ic050770h","","","1.54178","CuKα","","0.1389","0.0465","","","0.0863","0.0969","","","","","","1.448","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309843","10.397","0.007","17.611","0.006","11.442","0.007","90","","113.66","0.04","90","","1919","2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 As2 Cl2 N2 -","- C36 H58 As2 Cl2 N2 -","- C72 H116 As4 Cl4 N4 -","2","0.5","","Neil Burford; T. Stanley Cameron; Charles L. B. Macdonald; Katherine N. Robertson; Robert Schurko; Denise Walsh; Robert McDonald; Roderick E. Wasylishen","Dissociation of 2,4-Bis(2,4,6-tri-tert-butylphenyl)-cyclo-1,3-dipnicta-2,4-diazanes (pnict = P, As, Sb) Imposed by Substituent Steric Strain: A Cyclobutane/Olefin Analogy","Inorganic Chemistry","2005","44","","8058","8064","10.1021/ic050770h","","","0.7107","MoKα","","0.266","0.0554","","","0.1191","0.1738","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309844","11.4948","0.0006","16.5251","0.0009","12.0097","0.0007","90","","90.1491","0.001","90","","2281.3","0.2","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 F6 N2 O6 S2 Sb2 -","- C38 H58 F6 N2 O6 S2 Sb2 -","- C76 H116 F12 N4 O12 S4 Sb4 -","2","0.5","","Neil Burford; T. Stanley Cameron; Charles L. B. Macdonald; Katherine N. Robertson; Robert Schurko; Denise Walsh; Robert McDonald; Roderick E. Wasylishen","Dissociation of 2,4-Bis(2,4,6-tri-tert-butylphenyl)-cyclo-1,3-dipnicta-2,4-diazanes (pnict = P, As, Sb) Imposed by Substituent Steric Strain: A Cyclobutane/Olefin Analogy","Inorganic Chemistry","2005","44","","8058","8064","10.1021/ic050770h","","","0.71073","MoKα","","0.0526","0.0493","","","0.1226","0.1238","","","","","","1.292","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309845","16.412","0.003","25.188","0.002","10.088","0.003","90","","90","","90","","4170.2","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H30 As Cl2 N -","- C18 H30 As Cl2 N -","- C144 H240 As8 Cl16 N8 -","8","1","","Neil Burford; T. Stanley Cameron; Charles L. B. Macdonald; Katherine N. Robertson; Robert Schurko; Denise Walsh; Robert McDonald; Roderick E. Wasylishen","Dissociation of 2,4-Bis(2,4,6-tri-tert-butylphenyl)-cyclo-1,3-dipnicta-2,4-diazanes (pnict = P, As, Sb) Imposed by Substituent Steric Strain: A Cyclobutane/Olefin Analogy","Inorganic Chemistry","2005","44","","8058","8064","10.1021/ic050770h","","","1.5418","CuKα","","0.1551","0.0442","","","0.1169","0.156","","","","","","0.999","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4309846","19.771","0.002","19.607","0.002","12.94","0.002","90","","90","","90","","5016.2","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H38 As Cl2 N Si -","- C21 H38 As Cl2 N Si -","- C168 H304 As8 Cl16 N8 Si8 -","8","1","","Neil Burford; T. Stanley Cameron; Charles L. B. Macdonald; Katherine N. Robertson; Robert Schurko; Denise Walsh; Robert McDonald; Roderick E. Wasylishen","Dissociation of 2,4-Bis(2,4,6-tri-tert-butylphenyl)-cyclo-1,3-dipnicta-2,4-diazanes (pnict = P, As, Sb) Imposed by Substituent Steric Strain: A Cyclobutane/Olefin Analogy","Inorganic Chemistry","2005","44","","8058","8064","10.1021/ic050770h","","","1.5418","CuKα","","0.1299","0.0349","","","0.087","0.1138","","","","","","1.013","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4309847","12.84","0.0008","8.6442","0.0005","23.889","0.0015","90","","93.957","0.001","90","","2645.2","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F3 N4 O6 Ru S2 -","- C24 H21 F3 N4 O6 Ru S2 -","- C96 H84 F12 N16 O24 Ru4 S8 -","4","1","","Aaron A. Rachford; Jeffrey L. Petersen; Jeffrey J. Rack","Designing Molecular Bistability in Ruthenium Dimethyl Sulfoxide Complexes","Inorganic Chemistry","2005","44","","8065","8075","10.1021/ic050778r","","","0.71073","MoKα","","0.0505","0.0351","","","0.0823","0.0888","","","","","","1.025","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309848","19.8629","0.0011","10.0815","0.0005","16.1698","0.0009","90","","104.651","0.001","90","","3132.7","0.3","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 F12 N5 O P2 Ru S -","- C23 H33 F12 N5 O P2 Ru S -","- C92 H132 F48 N20 O4 P8 Ru4 S4 -","4","1","","Aaron A. Rachford; Jeffrey L. Petersen; Jeffrey J. Rack","Designing Molecular Bistability in Ruthenium Dimethyl Sulfoxide Complexes","Inorganic Chemistry","2005","44","","8065","8075","10.1021/ic050778r","","","0.71073","MoKα","","0.0551","0.0414","","","0.1061","0.1147","","","","","","1.043","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309849","9.2333","0.0005","13.1204","0.0008","13.6893","0.0008","69.54","0.001","73.733","0.001","80.341","0.001","1487.06","0.15","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H30 F6 N3 O4 P Ru S2 -","- C22 H24 F6 N3 O3 P Ru S -","- C44 H48 F12 N6 O6 P2 Ru2 S2 -","2","1","","Aaron A. Rachford; Jeffrey L. Petersen; Jeffrey J. Rack","Designing Molecular Bistability in Ruthenium Dimethyl Sulfoxide Complexes","Inorganic Chemistry","2005","44","","8065","8075","10.1021/ic050778r","","","0.71073","MoKα","","0.0524","0.0415","","","0.1126","0.1191","","","","","","1.071","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309850","25.9361","0.0016","8.7363","0.0006","20.6139","0.0013","90","","107.902","0.001","90","","4444.7","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N3 O7.5 Ru S -","- C20 H24 N3 O7.5 Ru S -","- C160 H192 N24 O60 Ru8 S8 -","8","1","","Aaron A. Rachford; Jeffrey L. Petersen; Jeffrey J. Rack","Designing Molecular Bistability in Ruthenium Dimethyl Sulfoxide Complexes","Inorganic Chemistry","2005","44","","8065","8075","10.1021/ic050778r","","","0.71073","MoKα","","0.0414","0.0378","","","0.1074","0.1132","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309851","11.589","0.006","8.894","0.004","20.509","0.01","90","","101.832","0.01","90","","2069","1.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O7 Ru S -","- C19 H17 N3 O7 Ru S -","- C76 H68 N12 O28 Ru4 S4 -","4","1","","Aaron A. Rachford; Jeffrey L. Petersen; Jeffrey J. Rack","Designing Molecular Bistability in Ruthenium Dimethyl Sulfoxide Complexes","Inorganic Chemistry","2005","44","","8065","8075","10.1021/ic050778r","","x-ray","0.71073","MoKα","","0.1026","0.0385","","","0.0734","0.0948","","","","","","0.895","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309852","11.052","0.0005","11.4473","0.0005","16.7726","0.0006","98.987","0.004","93.439","0.004","104.73","0.003","2015.99","0.15","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cl2 Cu2 N12 O8 -","- C36 H38 Cl2 Cu2 N12 O8 -","- C72 H76 Cl4 Cu4 N24 O16 -","2","1","","Stefania Tanase; Iryna A. Koval; Elisabeth Bouwman; René de Gelder; Jan Reedijk","Ligand Conformation Enforces Trigonal Bipyramidal Coordination Geometry in a New Dinuclear Bis(pyrazolato)-Bridged Copper(II) Complex: Synthesis, Crystal Structure, and Properties of [Cu(Npy2pz)]2(ClO4)2.2CH3CN","Inorganic Chemistry","2005","44","","7860","7865","10.1021/ic050793w","","","0.71073","MoKα","","0.0816","0.049","","0.1129","0.1015","0.1129","","","1.026","","","1.026","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4309853","10.5939","0.0009","5.1252","0.0003","22.1","0.001","90","","100.365","0.009","90","","1180.36","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 N8 O6 -","- C18 H40 N8 O6 -","- C36 H80 N16 O12 -","2","0.5","","François Cuenot; Michel Meyer; Enrique Espinosa; Roger Guilard","Synthesis, Characterization, and X-ray Crystal Structures of Cyclam Derivatives. 8. Thermodynamic and Kinetic Appraisal of Lead(II) Chelation by Octadentate Carbamoyl-Armed Macrocycles1","Inorganic Chemistry","2005","44","","7895","7910","10.1021/ic0508019","","","0.71073","MoKα","","0.0872","0.0672","","","0.1809","0.1925","","","","","","1.073","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309854","8.52","0.0003","8.883","0.0003","10.606","0.0004","98.904","0.002","108.55","0.002","111.047","0.002","676.6","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H42 N10 O12 -","- C18 H42 N10 O12 -","- C18 H42 N10 O12 -","1","0.5","","François Cuenot; Michel Meyer; Enrique Espinosa; Roger Guilard","Synthesis, Characterization, and X-ray Crystal Structures of Cyclam Derivatives. 8. Thermodynamic and Kinetic Appraisal of Lead(II) Chelation by Octadentate Carbamoyl-Armed Macrocycles1","Inorganic Chemistry","2005","44","","7895","7910","10.1021/ic0508019","","","0.7107","MoKα","","0.0587","0.0406","","","0.0939","0.1048","","","","","","1.02","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309855","5.187","0.004","9.3113","0.0008","8.847","0.006","90","","100.81","0.03","90","","419.7","0.4","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C2 H7 N S -","- C2 H7 N S -","- C8 H28 N4 S4 -","4","1","","Holger Fleischer; Yvonne Dienes; Bernd Mathiasch; Volker Schmitt; Dieter Schollmeyer","Cysteamine and Its Homoleptic Complexes with Group 12 Metal Ions. Differences in the Coordination Chemistry of ZnII, CdII, and HgII with a Small N,S-Donor Ligand","Inorganic Chemistry","2005","44","","8087","8096","10.1021/ic050814m","","","1.54178","CuKα","","0.0513","0.0513","","","0.1338","0.1338","","","","","","1.25","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4309856","18.2166","0.0015","4.9242","0.0003","10.0513","0.0008","90","","105.647","0.004","90","","868.21","0.11","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 N2 S2 Zn -","- C4 H12 N2 S2 Zn -","- C16 H48 N8 S8 Zn4 -","4","0.5","","Holger Fleischer; Yvonne Dienes; Bernd Mathiasch; Volker Schmitt; Dieter Schollmeyer","Cysteamine and Its Homoleptic Complexes with Group 12 Metal Ions. Differences in the Coordination Chemistry of ZnII, CdII, and HgII with a Small N,S-Donor Ligand","Inorganic Chemistry","2005","44","","8087","8096","10.1021/ic050814m","","","1.54178","CuKα","","0.0336","0.0328","","","0.0949","0.0957","","","","","","1.156","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309857","9.0834","0.0012","11.953","0.0016","8.284","0.0011","90","","113.141","0.002","90","","827.06","0.19","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cd N2 S2 -","- C4 H12 Cd N2 S2 -","- C16 H48 Cd4 N8 S8 -","4","1","","Holger Fleischer; Yvonne Dienes; Bernd Mathiasch; Volker Schmitt; Dieter Schollmeyer","Cysteamine and Its Homoleptic Complexes with Group 12 Metal Ions. Differences in the Coordination Chemistry of ZnII, CdII, and HgII with a Small N,S-Donor Ligand","Inorganic Chemistry","2005","44","","8087","8096","10.1021/ic050814m","","","0.71069","MoKα","","0.0352","0.0294","","","0.0676","0.07","","","","","","1.027","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309858","9.7018","0.0002","9.1374","0.0002","10.5649","0.0002","90","","111.562","0.0014","90","","871.03","0.03","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Hg N2 S2 -","- C4 H12 Hg N2 S2 -","- C16 H48 Hg4 N8 S8 -","4","1","","Holger Fleischer; Yvonne Dienes; Bernd Mathiasch; Volker Schmitt; Dieter Schollmeyer","Cysteamine and Its Homoleptic Complexes with Group 12 Metal Ions. Differences in the Coordination Chemistry of ZnII, CdII, and HgII with a Small N,S-Donor Ligand","Inorganic Chemistry","2005","44","","8087","8096","10.1021/ic050814m","","","0.71069","MoKα","","0.0428","0.0411","","","0.1124","0.1139","","","","","","1.155","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309859","13.979","0.003","17.444","0.003","18.672","0.003","73.179","0.003","71.998","0.003","80.578","0.003","4131.2","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H230 N10 O24 P8 Pt4 -","- C138 H206 N10 O24 P8 Pt4 -","- C138 H206 N10 O24 P8 Pt4 -","1","0.5","","Duckhyun Kim; Jong Hyub Paek; Moo-Jin Jun; Jin Yong Lee; Sang Ook Kang; Jaejung Ko","Self-Assembly of Rectangles and Prisms via a Molecular ""Clip""","Inorganic Chemistry","2005","44","","7886","7894","10.1021/ic0508369","","","0.71073","MoKα","","0.2091","0.0763","","","0.2014","0.2789","","","","","","0.956","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309860","14.922","0.002","27.176","0.004","28","0.004","85.828","0.003","76.42","0.003","76.017","0.003","10709","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H103 N3 O6 P4 Pt2 -","- C66 H103 N3 O6 P4 Pt2 -","- C396 H618 N18 O36 P24 Pt12 -","6","3","","Kim, Duckhyun; Paek, Jong Hyub; Jun, Moo-Jin; Lee, Jin Yong; Kang, Sang Ook; Ko, Jaejung","Self-Assembly of Rectangles and Prisms via a Molecular ""Clip""","Inorganic Chemistry","2005","44","22","7886","7894","10.1021/ic0508369","","","0.71073","MoKα","","0.272","0.0963","","","0.1987","0.2623","","","","","","0.904","","","","has coordinates","210301","2020-10-21","18:00:00",""
"4309861","11.5527","0.0011","19.064","0.0013","27.5589","0.0011","75.844","0.005","82.549","0.008","82.366","0.007","5803.2","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C250 H164 N26 O0.66 P2 Zn5 -","- C250 H164 N26 O0.66 P2 Zn5 -","- C250 H164 N26 O0.66 P2 Zn5 -","1","0.5","","Arjan W. Kleij; Mark Kuil; Duncan M. Tooke; Anthony L. Spek; Joost N. H. Reek","Template-Assisted Ligand Encapsulation; the Impact of an Unusual Coordination Geometry on a Supramolecular Pyridylphosphine-Zn(II)porphyrin Assembly","Inorganic Chemistry","2005","44","","7696","7698","10.1021/ic050858v","","","0.71073","MoKα","","0.0576","0.0427","","","0.1038","0.1086","","","","","","1.069","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309862","11.696","0.005","16.749","0.005","24.767","0.005","90.663","0.005","96.54","0.005","95.869","0.005","4794","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H128 Cl2 Fe2 N13 -","- C111 H128 Cl2 Fe2 N13 -","- C222 H256 Cl4 Fe4 N26 -","2","1","","Dibyendu Bhattacharya; Soumen Dey; Suman Maji; Kuntal Pal; Sabyasachi Sarkar","Direct Incorporation of a Ferric Ion in the Porphyrinogen Core: Tetrakis(cyclohexyl)iron Porphyrinogen Anion with Different Conformers and Its Reaction with Iodine","Inorganic Chemistry","2005","44","","7699","7701","10.1021/ic050890p","","","0.71069","MoKα","","0.1412","0.0936","","","0.2003","0.2272","","","","","","1.039","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309863","13.64","0.005","18.548","0.005","20.75","0.005","90","","90","","90","","5250","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H74 Cl6 Fe N5 -","- C51 H74 Cl6 Fe N5 -","- C204 H296 Cl24 Fe4 N20 -","4","1","","Dibyendu Bhattacharya; Soumen Dey; Suman Maji; Kuntal Pal; Sabyasachi Sarkar","Direct Incorporation of a Ferric Ion in the Porphyrinogen Core: Tetrakis(cyclohexyl)iron Porphyrinogen Anion with Different Conformers and Its Reaction with Iodine","Inorganic Chemistry","2005","44","","7699","7701","10.1021/ic050890p","","","0.71069","MoKα","","0.1038","0.065","","","0.1496","0.1704","","","","","","1.012","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309864","11.742","0.005","13.001","0.005","17.686","0.005","85.904","0.005","72.965","0.005","72.1","0.005","2456","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Cl4 Fe I6 N4 -","- C42 H52 Cl4 Fe I6 N4 -","- C84 H104 Cl8 Fe2 I12 N8 -","2","1","","Dibyendu Bhattacharya; Soumen Dey; Suman Maji; Kuntal Pal; Sabyasachi Sarkar","Direct Incorporation of a Ferric Ion in the Porphyrinogen Core: Tetrakis(cyclohexyl)iron Porphyrinogen Anion with Different Conformers and Its Reaction with Iodine","Inorganic Chemistry","2005","44","","7699","7701","10.1021/ic050890p","","","0.71069","MoKα","","0.0823","0.0743","","","0.219","0.2259","","","","","","1.062","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309865","11.768","0.004","26.186","0.007","8.497","0.003","90","","92.57","0.03","90","","2615.8","1.5","203","2","203","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H22 F6 Fe N4 O6 S2 -","- C18 H22 F6 Fe N4 O6 S2 -","- C72 H88 F24 Fe4 N16 O24 S8 -","4","1","","George J. P. Britovsek; Jason England; Andrew J. P. White","Non-heme Iron(II) Complexes Containing Tripodal Tetradentate Nitrogen Ligands and Their Application in Alkane Oxidation Catalysis","Inorganic Chemistry","2005","44","","8125","8134","10.1021/ic0509229","","","0.71073","MoKα","","0.0348","0.0293","","","0.0661","0.0683","","","","","","1.018","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309866","11.248","0.007","13.345","0.006","16.345","0.011","90","","95.17","0.06","90","","2443","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 F6 Fe N4 O6 S2 -","- C14 H30 F6 Fe N4 O6 S2 -","- C56 H120 F24 Fe4 N16 O24 S8 -","4","1","","George J. P. Britovsek; Jason England; Andrew J. P. White","Non-heme Iron(II) Complexes Containing Tripodal Tetradentate Nitrogen Ligands and Their Application in Alkane Oxidation Catalysis","Inorganic Chemistry","2005","44","","8125","8134","10.1021/ic0509229","","","0.71073","MoKα","","0.0958","0.0511","","","0.1061","0.1191","","","","","","0.961","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309867","16.83","0.003","20.701","0.004","18.17","0.004","90","","113.26","0.03","90","","5816","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexanitrato-opytrizediam-tricopper(II)","","- C48 H38 Cu3 N26 O18 -","- C48 H38 Cu3 N26 O18 -","- C192 H152 Cu12 N104 O72 -","4","0.5","","Hélène Casellas; Patrick Gamez; Jan Reedijk; Ilpo Mutikainen; Urho Turpeinen; Norberto Masciocchi; Simona Galli; Angelo Sironi","Moisture-Triggered 1,3,5-Triazine-Based CuII Molecular Switch: a Combined X-ray Single-Crystal and Powder Diffraction Study","Inorganic Chemistry","2005","44","","7918","7924","10.1021/ic0509231","","","0.71073","MoKα","","0.0921","0.0443","","","0.0896","0.1049","","","","","","1.019","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309868","16.63451","0.00058","20.83709","0.00082","19.12837","0.00095","90","","116.124","0.0028","90","","5952.9","0.5","","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper Complex, Hydrated Phase","pentranitrato-opytrizediam-tricopper(ii) nitrate monohydrate","","- C48 H40 Cu3 N26 O19 -","- C48 H38 Cu3 N26 O19 -","- C192 H152 Cu12 N104 O76 -","4","1","","Hélène Casellas; Patrick Gamez; Jan Reedijk; Ilpo Mutikainen; Urho Turpeinen; Norberto Masciocchi; Simona Galli; Angelo Sironi","Moisture-Triggered 1,3,5-Triazine-Based CuII Molecular Switch: a Combined X-ray Single-Crystal and Powder Diffraction Study","Inorganic Chemistry","2005","44","","7918","7924","10.1021/ic0509231","","x-ray","1.5406","CuKα1","","","","","","","","","","","","","","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309869","13.0099","0.0002","13.5022","0.0003","16.3638","0.0004","70.651","0.001","80.928","0.001","68.97","0.001","2529.04","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H140 N4 O20 Zn -","- C108 H140 N4 O20 Zn -","- C108 H140 N4 O20 Zn -","1","0.5","","Joo-Eun Jee; Siegfried Eigler; Frank Hampel; Norbert Jux; Maria Wolak; Achim Zahl; Grazyna Stochel; Rudi van Eldik","Kinetic and Mechanistic Studies on the Reaction of Nitric Oxide with a Water-Soluble Octa-anionic Iron(III) Porphyrin Complex","Inorganic Chemistry","2005","44","","7717","7731","10.1021/ic050924t","","","0.71073","MoKα","","0.0821","0.0631","","","0.1753","0.1925","","","","","","1.022","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309870","8.901","0.003","9.145","0.003","35.075","0.01","90","","95.403","0.005","90","","2842.4","1.6","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","7-(9-anthracenylmethyl)-3,11-dithia-7,17- diazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-?4S,N,S',N'- perchloratocopper(II) perchlorate","","- C28 H30 Cl2 Cu N2 O8 S2 -","- C28 H30 Cl2 Cu N2 O8 S2 -","- C112 H120 Cl8 Cu4 N8 O32 S8 -","4","1","","Abel Tamayo; Carlos Lodeiro; Lluis Escriche; Jaume Casabó; Berta Covelo; Pablo González","New Fluorescence PET Systems Based on N2S2 Pyridine-Anthracene-Containing Macrocyclic Ligands. Spectrophotometric, Spectrofluorimetric, and Metal Ion Binding Studies","Inorganic Chemistry","2005","44","","8105","8115","10.1021/ic050926d","","","0.71073","MoKα","","0.1012","0.0485","","","0.1092","0.1421","","","","","","1.081","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309871","12.237","0.005","15.088","0.005","13.302","0.005","90","0.005","100.598","0.005","90","0.005","2414.1","1.6","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","7-(9-anthracenylmethyl)-3,11-dithia-7,17- diazabicyclo[11.3.1]heptadeca-1(17),13,15-triene","","- C28 H30 N2 S2 -","- C28 H30 N2 S2 -","- C112 H120 N8 S8 -","4","1","","Abel Tamayo; Carlos Lodeiro; Lluis Escriche; Jaume Casabó; Berta Covelo; Pablo González","New Fluorescence PET Systems Based on N2S2 Pyridine-Anthracene-Containing Macrocyclic Ligands. Spectrophotometric, Spectrofluorimetric, and Metal Ion Binding Studies","Inorganic Chemistry","2005","44","","8105","8115","10.1021/ic050926d","","","0.71069","MoKα","","0.0447","0.0345","","","0.0866","0.0946","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309872","10.796","0.001","28.138","0.002","11.649","0.005","90","","115.86","0.01","90","","3184.4","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chloro(cycloocta-1,5-diene)(η^1^-1,3-di(tert-butyl)- 2,4-bis(2-methoxyphenoxy)-[1,3,2,4]diazadiphosphetidine rhodium(I)","","- C30 H44 Cl N2 O4 P2 Rh -","- C30 H44 Cl N2 O4 P2 Rh -","- C120 H176 Cl4 N8 O16 P8 Rh4 -","4","1","","P. Chandrasekaran; Joel T. Mague; Maravanji S. Balakrishna","Cyclodiphosphazanes with Hemilabile Ponytails: Synthesis, Transition Metal Chemistry (Ru(II), Rh(I), Pd(II), Pt(II)), and Crystal and Molecular Structures of Mononuclear (Pd(II), Rh(I)) and Bi- and Tetranuclear Rhodium(I) Complexes","Inorganic Chemistry","2005","44","","7925","7932","10.1021/ic0509478","","","0.71073","MoKα","","0.0741","0.0484","","","0.0994","0.1068","","","","","","0.901","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309873","9.339","0.0009","18.286","0.002","14.916","0.001","90","","99.753","0.001","90","","2510.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetra(μ-chloro)tetracarbonylbis(μ-(1,3-di-tert -butyl-2,4-bis(2-methoxyethoxy)-[1,3,2,4] diazadiphosphetidine,κ,P;κ,P)tetrarhodium(I)","","- C16 H32 Cl2 N2 O6 P2 Rh2 -","- C16 H32 Cl2 N2 O6 P2 Rh2 -","- C64 H128 Cl8 N8 O24 P8 Rh8 -","4","1","","P. Chandrasekaran; Joel T. Mague; Maravanji S. Balakrishna","Cyclodiphosphazanes with Hemilabile Ponytails: Synthesis, Transition Metal Chemistry (Ru(II), Rh(I), Pd(II), Pt(II)), and Crystal and Molecular Structures of Mononuclear (Pd(II), Rh(I)) and Bi- and Tetranuclear Rhodium(I) Complexes","Inorganic Chemistry","2005","44","","7925","7932","10.1021/ic0509478","","","0.71073","MoKα","","0.0368","0.032","","","0.0816","0.0839","","","","","","1.095","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309874","14.078","0.001","12.709","0.001","18.035","0.002","90","","109.882","0.001","90","","3034.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H41 Cl2 N5 O4 P2 Rh2 -","- C20 H41 Cl2 N5 O4 P2 Rh2 -","- C80 H164 Cl8 N20 O16 P8 Rh8 -","4","1","","P. Chandrasekaran; Joel T. Mague; Maravanji S. Balakrishna","Cyclodiphosphazanes with Hemilabile Ponytails: Synthesis, Transition Metal Chemistry (Ru(II), Rh(I), Pd(II), Pt(II)), and Crystal and Molecular Structures of Mononuclear (Pd(II), Rh(I)) and Bi- and Tetranuclear Rhodium(I) Complexes","Inorganic Chemistry","2005","44","","7925","7932","10.1021/ic0509478","","","0.71073","MoKα","","0.0329","0.0273","","","0.0629","0.065","","","","","","1.05","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309875","10.1978","0.0009","19.0612","0.0002","15.449","0.001","90","","107.108","0.001","90","","2870.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-Dichloro(1,3-di-tert-butyl-2,4-bis(2- methoxyphenoxy)-[1,3,2,4]-diazadiphosphetidine) palladium(II) Dichloromethane solvate","","- C46 H68 Cl6 N4 O8 P4 Pd -","- C46 H68 Cl6 N4 O8 P4 Pd -","- C92 H136 Cl12 N8 O16 P8 Pd2 -","2","0.5","","P. Chandrasekaran; Joel T. Mague; Maravanji S. Balakrishna","Cyclodiphosphazanes with Hemilabile Ponytails: Synthesis, Transition Metal Chemistry (Ru(II), Rh(I), Pd(II), Pt(II)), and Crystal and Molecular Structures of Mononuclear (Pd(II), Rh(I)) and Bi- and Tetranuclear Rhodium(I) Complexes","Inorganic Chemistry","2005","44","","7925","7932","10.1021/ic0509478","","","0.71073","MoKα","","0.0422","0.0371","","","0.0947","0.0979","","","","","","1.048","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309876","22.008","0.003","9.453","0.001","16.257","0.002","90","","90","","90","","3382.1","0.7","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","cis-Dichloro(triethylphosphine)(1,3-di-tert-butyl- 2,4-bis(2-methoxyphenoxy)-[1,3,2,4]diazadiphosphetidine- κ-P)palladium(II)","","- C28 H47 Cl2 N2 O4 P3 Pd -","- C28 H47 Cl2 N2 O4 P3 Pd -","- C112 H188 Cl8 N8 O16 P12 Pd4 -","4","1","","P. Chandrasekaran; Joel T. Mague; Maravanji S. Balakrishna","Cyclodiphosphazanes with Hemilabile Ponytails: Synthesis, Transition Metal Chemistry (Ru(II), Rh(I), Pd(II), Pt(II)), and Crystal and Molecular Structures of Mononuclear (Pd(II), Rh(I)) and Bi- and Tetranuclear Rhodium(I) Complexes","Inorganic Chemistry","2005","44","","7925","7932","10.1021/ic0509478","","","0.71073","MoKα","","0.0243","0.0228","","","0.0517","0.0523","","","","","","1.033","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309877","18.6413","0.0008","18.6413","0.0008","12.9868","0.0007","90","","90","","120","","3908.3","0.3","150","2","150","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C9 K5 N9 Se3 Te W3 -","- C9 K5.02 N9 Se3 Te W3 -","- C54 K30.12 N54 Se18 Te6 W18 -","6","0.5","","Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin","Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family","Inorganic Chemistry","2005","44","","8116","8124","10.1021/ic050962c","","x-ray","0.71073","MoKα","","0.1105","0.0615","","","0.1212","0.1476","","","","","","1.124","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309878","25.626","0.009","60.07","0.02","15.614","0.005","90","","90","","90","","24035","14","296","2","296","2","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C12 H10 Cl2 Cs2 K4 N12 O5 Te14 W6 -","- C12 Cl2 Cs2 K4 N12 O5 Te14 W6 -","- C192 Cl32 Cs32 K64 N192 O80 Te224 W96 -","16","1","","Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin","Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family","Inorganic Chemistry","2005","44","","8116","8124","10.1021/ic050962c","","","0.71073","MoKα","","0.1161","0.0544","","","0.1173","0.1304","","","","","","0.846","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309879","8.5031","0.0008","17.1626","0.0013","20.4991","0.0019","90","","93.24","0.002","90","","2986.8","0.5","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C6 Br K3 N6 O6 Se3 Te4 W3 -","- C6 Br K3 N6 O6 Se3 Te4 W3 -","- C24 Br4 K12 N24 O24 Se12 Te16 W12 -","4","2","","Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin","Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family","Inorganic Chemistry","2005","44","","8116","8124","10.1021/ic050962c","","x-ray","0.71073","MoKα","","0.0895","0.0515","","","0.1116","0.1211","","","","","","0.967","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309880","13.1066","0.0003","13.1066","0.0003","23.9243","0.0011","90","","90","","120","","3559.2","0.2","295","2","295","2","","","","","","","","9","P -3 c 1","-P 3 2""c","165","","","","- C6 H9 Br2.5 Cs3.5 K N6 O4.5 Te7 W3 -","- C6 Br2.5 Cs3.5 K0.999 N6 O4.5 Te7 W3 -","- C24 Br10 Cs14 K3.996 N24 O18 Te28 W12 -","4","0.333333","","Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin","Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family","Inorganic Chemistry","2005","44","","8116","8124","10.1021/ic050962c","","","0.71073","MoKα","","0.0474","0.0351","","","0.0921","0.0956","","","","","","1.029","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309881","12.916","0.0015","12.916","0.0015","23.08","0.006","90","","90","","120","","3334.4","1","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C6 H15 I2.5 K3 Mo3 N7.5 O4.5 Se7 -","- C6 I2.5 K3 Mo3 N7.495 O4.5 Se7 -","- C24 I10 K12 Mo12 N29.98 O18 Se28 -","4","0.333333","","Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin","Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family","Inorganic Chemistry","2005","44","","8116","8124","10.1021/ic050962c","","x-ray","0.71073","MoKα","","0.0627","0.0423","","","0.1112","0.1185","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309882","19.426","0.007","19.031","0.006","23.78","0.008","90","","102.885","0.008","90","","8570","5","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C78 H62 Br N6 O P3 Te7 W3 -","- C78 H60 Br N6 O P3 Te7 W3 -","- C312 H240 Br4 N24 O4 P12 Te28 W12 -","4","1","","Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin","Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family","Inorganic Chemistry","2005","44","","8116","8124","10.1021/ic050962c","","","0.71073","MoKα","","0.1128","0.0637","","","0.1343","0.1544","","","","","","1.002","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309883","8.54","0.001","17.163","0.003","13.769","0.002","90","","97.287","0.004","90","","2001.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl N2 O2 Rh -","- C22 H26 Cl N2 O2 Rh -","- C88 H104 Cl4 N8 O8 Rh4 -","4","1","","Claudio Pettinari; Riccardo Pettinari; Mauro Fianchini; Fabio Marchetti; Brian W. Skelton; Allan H. White","Syntheses, Structures, and Reactivity of New Pentamethylcyclopentadienyl-Rhodium(III) and -iridium(III) 4-Acyl-5-Pyrazolonate Complexes","Inorganic Chemistry","2005","44","","7933","7942","10.1021/ic050985r","","","0.71073","MoKα","","0.064","0.044","","0.055","","0.05","","","1.073","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309884","8.6997","0.0006","17.049","0.001","13.936","0.0009","90","","96.47","0.002","90","","2053.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl Ir N2 O2 -","- C22 H26 Cl Ir N2 O2 -","- C88 H104 Cl4 Ir4 N8 O8 -","4","1","","Claudio Pettinari; Riccardo Pettinari; Mauro Fianchini; Fabio Marchetti; Brian W. Skelton; Allan H. White","Syntheses, Structures, and Reactivity of New Pentamethylcyclopentadienyl-Rhodium(III) and -iridium(III) 4-Acyl-5-Pyrazolonate Complexes","Inorganic Chemistry","2005","44","","7933","7942","10.1021/ic050985r","","","0.71073","MoKα","","0.064","0.035","","0.045","","0.04","","","0.984","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309885","16.059","0.005","19.606","0.007","8.081","0.003","90","","92.177","0.007","90","","2542.5","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cl N2 O2 Rh -","- C26 H34 Cl N2 O2 Rh -","- C104 H136 Cl4 N8 O8 Rh4 -","4","1","","Claudio Pettinari; Riccardo Pettinari; Mauro Fianchini; Fabio Marchetti; Brian W. Skelton; Allan H. White","Syntheses, Structures, and Reactivity of New Pentamethylcyclopentadienyl-Rhodium(III) and -iridium(III) 4-Acyl-5-Pyrazolonate Complexes","Inorganic Chemistry","2005","44","","7933","7942","10.1021/ic050985r","","","0.71073","MoKα","","0.228","0.079","","0.184","","0.103","","","1.328","","","1.221","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309886","7.582","0.002","21.345","0.006","15.458","0.005","90","","102.037","0.007","90","","2446.7","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl N2 O2 Rh -","- C28 H30 Cl N2 O2 Rh -","- C112 H120 Cl4 N8 O8 Rh4 -","4","1","","Claudio Pettinari; Riccardo Pettinari; Mauro Fianchini; Fabio Marchetti; Brian W. Skelton; Allan H. White","Syntheses, Structures, and Reactivity of New Pentamethylcyclopentadienyl-Rhodium(III) and -iridium(III) 4-Acyl-5-Pyrazolonate Complexes","Inorganic Chemistry","2005","44","","7933","7942","10.1021/ic050985r","","","0.71073","MoKα","","0.061","0.043","","0.085","","0.067","","","1.12","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309887","7.5905","0.0007","21.337","0.002","15.56","0.002","90","","101.893","0.002","90","","2466","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl Ir N2 O2 -","- C28 H30 Cl Ir N2 O2 -","- C112 H120 Cl4 Ir4 N8 O8 -","4","1","","Claudio Pettinari; Riccardo Pettinari; Mauro Fianchini; Fabio Marchetti; Brian W. Skelton; Allan H. White","Syntheses, Structures, and Reactivity of New Pentamethylcyclopentadienyl-Rhodium(III) and -iridium(III) 4-Acyl-5-Pyrazolonate Complexes","Inorganic Chemistry","2005","44","","7933","7942","10.1021/ic050985r","","","0.71073","MoKα","","0.058","0.037","","0.052","","0.049","","","1.068","","","1.132","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309888","8.2875","0.0006","13.778","0.001","14.61","0.001","109.429","0.002","95.937","0.002","106.875","0.002","1468.07","0.18","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Cl N2 O2 Rh -","- C34 H34 Cl N2 O2 Rh -","- C68 H68 Cl2 N4 O4 Rh2 -","2","1","","Claudio Pettinari; Riccardo Pettinari; Mauro Fianchini; Fabio Marchetti; Brian W. Skelton; Allan H. White","Syntheses, Structures, and Reactivity of New Pentamethylcyclopentadienyl-Rhodium(III) and -iridium(III) 4-Acyl-5-Pyrazolonate Complexes","Inorganic Chemistry","2005","44","","7933","7942","10.1021/ic050985r","","","0.71073","MoKα","","0.062","0.043","","0.047","","0.044","","","1.108","","","1.162","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309889","7.6184","0.001","21.329","0.004","15.605","0.003","90","","101.784","0.003","90","","2482.3","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Br N2 O2 Rh -","- C28 H30 Br N2 O2 Rh -","- C112 H120 Br4 N8 O8 Rh4 -","4","1","","Claudio Pettinari; Riccardo Pettinari; Mauro Fianchini; Fabio Marchetti; Brian W. Skelton; Allan H. White","Syntheses, Structures, and Reactivity of New Pentamethylcyclopentadienyl-Rhodium(III) and -iridium(III) 4-Acyl-5-Pyrazolonate Complexes","Inorganic Chemistry","2005","44","","7933","7942","10.1021/ic050985r","","","0.71073","MoKα","","0.06","0.038","","0.047","","0.043","","","1.1","","","1.154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309890","15.7628","0.0018","10.3155","0.0012","17.774","0.002","90","","92.647","0.002","90","","2887","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 N2 Ni O -","- C30 H41 N2 Ni O -","- C120 H164 N8 Ni4 O4 -","4","1","","Nathan A. Eckert; Adriana Dinescu; Thomas R. Cundari; Patrick L. Holland","A T-Shaped Three-Coordinate Nickel(I) Carbonyl Complex and the Geometric Preferences of Three-Coordinate d9 Complexes","Inorganic Chemistry","2005","44","","7702","7704","10.1021/ic0510213","","","0.71073","MoKα","","0.073","0.0465","","","0.1041","0.1139","","","","","","1.055","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309891","19.4207","0.0011","13.4855","0.0008","25.6477","0.0014","90","","95.159","0.001","90","","6689.9","0.7","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H31 N4 O5.5 Pb S2 -","- C32.5 H31 N4 O5.5 Pb S2 -","- C260 H248 N32 O44 Pb8 S16 -","8","1","","Robert J. Alvarado; Jay M. Rosenberg; Aileen Andreu; Jeffrey C. Bryan; Wei-Zhong Chen; Tong Ren; Konstantinos Kavallieratos","Structural Insights into the Coordination and Extraction of Pb(II) by Disulfonamide Ligands Derived from o-Phenylenediamine","Inorganic Chemistry","2005","44","","7951","7959","10.1021/ic051103r","","","0.71073","MoKα","","0.0542","0.0356","","","0.0779","0.0813","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309892","10.4577","0.0019","13.246","0.003","25.935","0.009","90","","92.566","0.016","90","","3589","1.6","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N2 O6 Pb S4 -","- C30 H39 N2 O6 Pb S4 -","- C120 H156 N8 O24 Pb4 S16 -","4","1","","Robert J. Alvarado; Jay M. Rosenberg; Aileen Andreu; Jeffrey C. Bryan; Wei-Zhong Chen; Tong Ren; Konstantinos Kavallieratos","Structural Insights into the Coordination and Extraction of Pb(II) by Disulfonamide Ligands Derived from o-Phenylenediamine","Inorganic Chemistry","2005","44","","7951","7959","10.1021/ic051103r","","","0.71073","MoKα","","0.0965","0.0416","","","0.0666","0.0757","","","","","","1.008","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309893","9.8218","0.0003","32.0317","0.0008","17.1394","0.0006","90","","105.964","0.0011","90","","5184.3","0.3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 Cl2 N4 O4 P2 Pd S2 -","- C54 H54 Cl2 N4 O4 P2 Pd S2 -","- C216 H216 Cl8 N16 O16 P8 Pd4 S8 -","4","1","","Paul A. Duckmanton; Alexander J. Blake; Jason B. Love","Palladium and Rhodium Ureaphosphine Complexes: Exploring Structural and Catalytic Consequences of Anion Binding","Inorganic Chemistry","2005","44","","7708","7710","10.1021/ic051110f","","","0.71073","MoKα","","0.125","0.0594","","","0.114","0.137","","","","","","1.01","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309894","9.4731","0.001","22.807","0.002","14.223","0.002","90","","90.221","0.002","90","","3072.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C66 H78 Cl3 N5 O2 P2 Pd -","- C66 H78 Cl3 N5 O2 P2 Pd -","- C132 H156 Cl6 N10 O4 P4 Pd2 -","2","0.5","","Paul A. Duckmanton; Alexander J. Blake; Jason B. Love","Palladium and Rhodium Ureaphosphine Complexes: Exploring Structural and Catalytic Consequences of Anion Binding","Inorganic Chemistry","2005","44","","7708","7710","10.1021/ic051110f","","","0.71073","MoKα","","0.0947","0.0533","","","0.105","0.122","","","","","","1.03","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309895","9.7282","0.0015","12.0324","0.0016","13.36","0.003","100.44","0.009","97.678","0.018","107.274","0.01","1439","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C23.5 H33 B10 Cl N Ni O P -","- C23.5 H33 B10 Cl N Ni O P -","- C47 H66 B20 Cl2 N2 Ni2 O2 P2 -","2","1","","Thomas D. McGrath; Andreas Franken; Jason A. Kautz; F. Gordon A. Stone","Synthesis of Nickel-Monocarbollide Complexes by Oxidative Insertion","Inorganic Chemistry","2005","44","","8135","8144","10.1021/ic051115c","","","0.71073","MoKα","","0.0734","0.0424","","","0.0968","0.1062","","","","","","0.947","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309896","14.542","0.002","18.249","0.004","15.482","0.003","90","","101.796","0.008","90","","4021.8","1.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 B10 N Ni O2 P2 -","- C39 H41 B10 N Ni O2 P2 -","- C156 H164 B40 N4 Ni4 O8 P8 -","4","1","","Thomas D. McGrath; Andreas Franken; Jason A. Kautz; F. Gordon A. Stone","Synthesis of Nickel-Monocarbollide Complexes by Oxidative Insertion","Inorganic Chemistry","2005","44","","8135","8144","10.1021/ic051115c","","","0.71073","MoKα","","0.0775","0.0421","","","0.1026","0.1092","","","","","","0.98","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309897","12.558","0.003","18.357","0.004","16.282","0.004","90","","111.944","0.004","90","","3481.5","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H39 B10 Cl2 N3 Ni -","- C29 H39 B10 Cl2 N3 Ni -","- C116 H156 B40 Cl8 N12 Ni4 -","4","1","","Thomas D. McGrath; Andreas Franken; Jason A. Kautz; F. Gordon A. Stone","Synthesis of Nickel-Monocarbollide Complexes by Oxidative Insertion","Inorganic Chemistry","2005","44","","8135","8144","10.1021/ic051115c","","","0.71073","MoKα","","0.0774","0.0547","","","0.1559","0.1676","","","","","","1.016","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309898","32.049","0.006","11.7723","0.0017","18.731","0.004","90","","124.065","0.019","90","","5854","2","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H33 B10 Ni O2 P -","- C27.697 H33 B10 Ni O2 P -","- C221.576 H264 B80 Ni8 O16 P8 -","8","1","","Thomas D. McGrath; Andreas Franken; Jason A. Kautz; F. Gordon A. Stone","Synthesis of Nickel-Monocarbollide Complexes by Oxidative Insertion","Inorganic Chemistry","2005","44","","8135","8144","10.1021/ic051115c","","","0.71073","MoKα","","0.0772","0.0481","","","0.1126","0.1299","","","","","","1.02","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309899","10.5001","0.0003","22.8914","0.0007","20.9785","0.0005","90","","101.76","0.0013","90","","4936.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H45 N4 P Si -","- C21 H45 N4 P Si -","- C168 H360 N32 P8 Si8 -","8","2","","Andrea F. Armstrong; Tristram Chivers; Heikki M. Tuononen; Masood Parvez; René T. Boeré","Cubic and Spirocyclic Radicals Containing a Tetraimidophosphate Dianion [P(NR)3(NR')].2-","Inorganic Chemistry","2005","44","","7981","7991","10.1021/ic051128q","","","0.71073","MoKα","","0.1289","0.0634","","","0.1519","0.1864","","","","","","0.988","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309900","15.399","0.002","11.4167","0.0017","25.431","0.004","90","","101.009","0.003","90","","4388.6","1.1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H45 Ir N6 -","- C54 H45 Ir N6 -","- C216 H180 Ir4 N24 -","4","1","","Tissa Sajoto; Peter I. Djurovich; Arnold Tamayo; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson; Russell J. Holmes; Stephen R. Forrest","Blue and Near-UV Phosphorescence from Iridium Complexes with Cyclometalated Pyrazolyl or N-Heterocyclic Carbene Ligands","Inorganic Chemistry","2005","44","","7992","8003","10.1021/ic051296i","","","0.71073","MoKα","","0.0819","0.0554","","","0.1337","0.1527","","","","","","1.021","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309901","14.4106","0.0013","20.9","0.0019","14.5159","0.0013","90","","116.061","0.001","90","","3927.4","0.6","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H37 Cl4 Ir N6 -","- C44 H37 Cl4 Ir N6 -","- C176 H148 Cl16 Ir4 N24 -","4","1","","Tissa Sajoto; Peter I. Djurovich; Arnold Tamayo; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson; Russell J. Holmes; Stephen R. Forrest","Blue and Near-UV Phosphorescence from Iridium Complexes with Cyclometalated Pyrazolyl or N-Heterocyclic Carbene Ligands","Inorganic Chemistry","2005","44","","7992","8003","10.1021/ic051296i","","","0.71073","MoKα","","0.0855","0.0549","","","0.1277","0.1427","","","","","","1.124","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309902","11.0771","0.0008","19.0169","0.0014","15.5378","0.0011","90","","92.072","0.001","90","","3270.9","0.4","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 Ir N6 -","- C42 H33 Ir N6 -","- C168 H132 Ir4 N24 -","4","1","","Tissa Sajoto; Peter I. Djurovich; Arnold Tamayo; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson; Russell J. Holmes; Stephen R. Forrest","Blue and Near-UV Phosphorescence from Iridium Complexes with Cyclometalated Pyrazolyl or N-Heterocyclic Carbene Ligands","Inorganic Chemistry","2005","44","","7992","8003","10.1021/ic051296i","","","0.71073","MoKα","","0.049","0.035","","","0.0756","0.0798","","","","","","1.035","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309903","8.4715","0.0012","10.525","0.0015","11.9813","0.0016","99.29","0.004","100.791","0.004","107.102","0.004","976","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Mn0.5 N8 O3 W -","- C16 H8 Mn0.5 N8 O3 W -","- C32 H16 Mn N16 O6 W2 -","2","1","","Jung Hee Yoon; Hyoung Chan Kim; Chang Seop Hong","Cyanide-Bridged W(V)-Mn(II) Bimetallic Double-Zigzag Chains with a Metamagnetic Nature","Inorganic Chemistry","2005","44","","7714","7716","10.1021/ic051415u","","","0.71073","MoKα","","0.0666","0.0634","","","0.1839","0.1858","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309904","13.052","0.007","18.085","0.008","11.542","0.005","91.36","0.04","109.63","0.04","82.13","0.05","2541","2","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Fe2 N4 Ni S4 -","- C34 H30 Fe2 N4 Ni S4 -","- C102 H90 Fe6 N12 Ni3 S12 -","3","1.5","","Tomoyuki Mochida; Kousuke Takazawa; Hideaki Matsui; Masashi Takahashi; Masuo Takeda; Michiko Sato; Yutaka Nishio; Koji Kajita; Hatsumi Mori","Biferrocene-M(mnt)2 Charge-Transfer Complexes (M = Ni, Co; mnt = Maleonitriledithiolate). Structure, Valence States, and Magnetic Properties","Inorganic Chemistry","2005","44","","8628","8641","10.1021/ic048285u","","","0.7107","MoKα","","","0.0463","","","","0.143","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309905","12.86","0.03","17.74","0.05","21.91","0.06","85.97","0.12","76.01","0.11","81.14","0.12","4789","2","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Fe2 N4 Ni S4 -","- C34 H30 Fe2 N4 Ni S4 -","- C204 H180 Fe12 N24 Ni6 S24 -","6","3","","Tomoyuki Mochida; Kousuke Takazawa; Hideaki Matsui; Masashi Takahashi; Masuo Takeda; Michiko Sato; Yutaka Nishio; Koji Kajita; Hatsumi Mori","Biferrocene-M(mnt)2 Charge-Transfer Complexes (M = Ni, Co; mnt = Maleonitriledithiolate). Structure, Valence States, and Magnetic Properties","Inorganic Chemistry","2005","44","","8628","8641","10.1021/ic048285u","","","0.7107","MoKα","","","0.055","","","","0.201","","","","","","0.972","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309906","13.45","0.04","14.31","0.04","19.42","0.07","107.48","0.05","103.4","0.04","98.18","0.05","3376","18","296.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C68 H60 Co2 Fe4 N8 S8 -","- C68 H60 Co2 Fe4 N8 S8 -","- C136 H120 Co4 Fe8 N16 S16 -","2","2","","Tomoyuki Mochida; Kousuke Takazawa; Hideaki Matsui; Masashi Takahashi; Masuo Takeda; Michiko Sato; Yutaka Nishio; Koji Kajita; Hatsumi Mori","Biferrocene-M(mnt)2 Charge-Transfer Complexes (M = Ni, Co; mnt = Maleonitriledithiolate). Structure, Valence States, and Magnetic Properties","Inorganic Chemistry","2005","44","","8628","8641","10.1021/ic048285u","","","0.7107","MoKα","","","0.05","","","","0.155","","","","","","1.004","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4309907","13.301","0.004","14.159","0.004","19.387","0.006","106.709","0.004","103.572","0.002","98.124","0.003","3312.7","1.7","90","","","","","","","","","","","6","P 1","P 1","1","","","","- C68 H60 Co2 Fe4 N8 S8 -","- C68 H60 Co2 Fe4 N8 S8 -","- C136 H120 Co4 Fe8 N16 S16 -","2","2","","Tomoyuki Mochida; Kousuke Takazawa; Hideaki Matsui; Masashi Takahashi; Masuo Takeda; Michiko Sato; Yutaka Nishio; Koji Kajita; Hatsumi Mori","Biferrocene-M(mnt)2 Charge-Transfer Complexes (M = Ni, Co; mnt = Maleonitriledithiolate). Structure, Valence States, and Magnetic Properties","Inorganic Chemistry","2005","44","","8628","8641","10.1021/ic048285u","","","0.7107","MoKα","","","0.031","","","","0.106","","","","","","1.002","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4309908","8.409","0.003","23.667","0.004","19.336","0.004","90","","94.75","0.03","90","","3835","1.7","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Fe2 N4 Ni S4 -","- C38 H38 Fe2 N4 Ni S4 -","- C152 H152 Fe8 N16 Ni4 S16 -","4","1","","Tomoyuki Mochida; Kousuke Takazawa; Hideaki Matsui; Masashi Takahashi; Masuo Takeda; Michiko Sato; Yutaka Nishio; Koji Kajita; Hatsumi Mori","Biferrocene-M(mnt)2 Charge-Transfer Complexes (M = Ni, Co; mnt = Maleonitriledithiolate). Structure, Valence States, and Magnetic Properties","Inorganic Chemistry","2005","44","","8628","8641","10.1021/ic048285u","","","0.7107","MoKα","","","0.0487","","","","0.1445","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309909","12.3","0.004","13.212","0.003","12.063","0.003","92.66","0.02","96.93","0.02","100.13","0.02","1911.1","0.9","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Co Fe2 N4 S4 -","- C38 H38 Co Fe2 N4 S4 -","- C76 H76 Co2 Fe4 N8 S8 -","2","1","","Tomoyuki Mochida; Kousuke Takazawa; Hideaki Matsui; Masashi Takahashi; Masuo Takeda; Michiko Sato; Yutaka Nishio; Koji Kajita; Hatsumi Mori","Biferrocene-M(mnt)2 Charge-Transfer Complexes (M = Ni, Co; mnt = Maleonitriledithiolate). Structure, Valence States, and Magnetic Properties","Inorganic Chemistry","2005","44","","8628","8641","10.1021/ic048285u","","","0.7107","MoKα","","","0.0365","","","","0.1113","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309910","12.5147","0.0013","22.536","0.003","4.2994","0.0005","90","","90","","90","","1212.6","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-methyl-benzothiazole-2-thione-di-iodine","","- C8 H7 I2 N S2 -","- C8 H7 I2 N S2 -","- C32 H28 I8 N4 S8 -","4","1","","Ghada J. Corban; Sotiris K. Hadjikakou; Nick Hadjiliadis; Maciej Kubicki; Edward R. T. Tiekink; Ian S. Butler; Evangelos Drougas; Agnie M. Kosmas","Synthesis, Structural Characterization, and Computational Studies of Novel Diiodine Adducts with the Heterocyclic Thioamides N-Methylbenzothiazole-2-thione and Benzimidazole-2-thione: Implications with the Mechanism of Action of Antithyroid Drugs","Inorganic Chemistry","2005","44","","8617","8627","10.1021/ic0484396","","","0.71073","MoKα","","0.1768","0.0401","","","0.0303","0.0456","","","","","","0.79","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309911","35.781","0.002","7.4761","0.0005","18.4677","0.0012","90","","107.219","0.001","90","","4718.7","0.5","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl4 Fe I N2 S4 -","- C16 H14 Cl4 Fe I N2 S4 -","- C128 H112 Cl32 Fe8 I8 N16 S32 -","8","1","","Ghada J. Corban; Sotiris K. Hadjikakou; Nick Hadjiliadis; Maciej Kubicki; Edward R. T. Tiekink; Ian S. Butler; Evangelos Drougas; Agnie M. Kosmas","Synthesis, Structural Characterization, and Computational Studies of Novel Diiodine Adducts with the Heterocyclic Thioamides N-Methylbenzothiazole-2-thione and Benzimidazole-2-thione: Implications with the Mechanism of Action of Antithyroid Drugs","Inorganic Chemistry","2005","44","","8617","8627","10.1021/ic0484396","","","0.71069","MoKα","","0.072","0.06","","","0.114","0.123","","","","","","1.28","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309912","35.896","0.004","4.7238","0.0006","18.795","0.002","90","","97.325","0.011","90","","3161","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(benzimidazole-2-thione-di-iodine) (bis(benzimidazole-2-thio)iodonium)] (triiodide)","","- C42 H36 I12 N12 S6 -","- C42 H36 I12 N12 S6 -","- C84 H72 I24 N24 S12 -","2","0.5","","Ghada J. Corban; Sotiris K. Hadjikakou; Nick Hadjiliadis; Maciej Kubicki; Edward R. T. Tiekink; Ian S. Butler; Evangelos Drougas; Agnie M. Kosmas","Synthesis, Structural Characterization, and Computational Studies of Novel Diiodine Adducts with the Heterocyclic Thioamides N-Methylbenzothiazole-2-thione and Benzimidazole-2-thione: Implications with the Mechanism of Action of Antithyroid Drugs","Inorganic Chemistry","2005","44","","8617","8627","10.1021/ic0484396","","","0.71073","MoKα","","0.1578","0.0714","","","0.1094","0.131","","","","","","0.984","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309913","3.917916","0.000005","3.917916","","11.824436","0.000022","90","","90","","90","","181.506","0.0004","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba2 Fe3 O8 Y -","- Ba2 Fe3 O7.9998 Y -","- Ba2 Fe3 O7.9998 Y -","1","0.0625","","Pavel Karen; Emmanuelle Suard; François Fauth","Crystal Structure of Stoichiometric YBa2Fe3O8","Inorganic Chemistry","2005","44","","8170","8172","10.1021/ic048746b","powder diffraction","","","","","","","","","","","","","1.92","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4309914","4.1628","0.0006","4.1628","","4.1628","","90","","90","","90","","72.137","0.01","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C0.33 Ba O2.67 Y0.67 -","- C0.33333 Ba O2.66667 Y0.66667 -","- C0.33333 Ba O2.66667 Y0.66667 -","1","0.0208333","","Pavel Karen; Emmanuelle Suard; François Fauth","Crystal Structure of Stoichiometric YBa2Fe3O8","Inorganic Chemistry","2005","44","","8170","8172","10.1021/ic048746b","powder diffraction","","","","","","","","","","","","","1.92","","","","","","","has coordinates,has Fobs","179137","2020-10-21","18:00:00",""
"4309915","8.4538","0.0011","19.04","0.0026","5.3826","0.0008","90","","90","","90","","866.4","0.2","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba Fe2 O4 -","- Ba Fe2 O4 -","- Ba8 Fe16 O32 -","8","1","","Pavel Karen; Emmanuelle Suard; François Fauth","Crystal Structure of Stoichiometric YBa2Fe3O8","Inorganic Chemistry","2005","44","","8170","8172","10.1021/ic048746b","powder diffraction","","","","","","","","","","","","","1.92","","","","","","","has coordinates,has Fobs","179137","2020-10-21","18:00:00",""
"4309916","3.0278","0.0006","3.0278","","3.0278","","90","","90","","90","","27.758","0.006","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Pavel Karen; Emmanuelle Suard; François Fauth","Crystal Structure of Stoichiometric YBa2Fe3O8","Inorganic Chemistry","2005","44","","8170","8172","10.1021/ic048746b","powder diffraction","","","","","","","","","","","","","1.92","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4309917","10.435","0.007","10.702","0.001","12.251","0.003","94.87","0.01","111.17","0.01","107.785","0.007","1185.1","0.9","297","1","297","1","","","","","","","","6","P -1","-P 1","2","","di[υ~2~-(N,N'-bis(2-mercaptoκ^1^Ni',κ^1^Ni''-2-methylprop-1-yl) -1S*κ^1^Ni',3R*κ^1^Ni''-cyclohexanediamine)nickel(II)] 2 dimethylformamide solvate","","- C38 H78 N6 Ni2 O2 S4 -","- C38 H78 N6 Ni2 O2 S4 -","- C38 H78 N6 Ni2 O2 S4 -","1","0.5","","Robert T. Stibrany; Stephen Fox; Parimal K. Bharadwaj; Harvey J. Schugar; Joseph A. Potenza","Structural and Spectroscopic Features of Mono- and Binuclear Nickel(II) Complexes with Tetradentate N(amine)2S(thiolate)2 Ligation","Inorganic Chemistry","2005","44","","8234","8242","10.1021/ic050114h","","","0.71073","MoKα","","0.0642","0.0495","","","0.1301","0.1391","","","","","","1","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309918","8.008","0.0016","13.371","0.003","18.151","0.004","90","","90","","90","","1943.5","0.7","298","1","298","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N,N'-bis(1-carboxy-2-mercaptoethyl)-1,2-diaminoethanenickel(II) N,N'-1,3-diammoniumpropane 3 water solvate","","- C11 H24 N4 Ni O7 S2 -","- C11 H24 N4 Ni O7 S2 -","- C44 H96 N16 Ni4 O28 S8 -","4","1","","Robert T. Stibrany; Stephen Fox; Parimal K. Bharadwaj; Harvey J. Schugar; Joseph A. Potenza","Structural and Spectroscopic Features of Mono- and Binuclear Nickel(II) Complexes with Tetradentate N(amine)2S(thiolate)2 Ligation","Inorganic Chemistry","2005","44","","8234","8242","10.1021/ic050114h","","","0.71073","MoKα","","0.0495","0.0388","","","0.1003","0.1071","","","","","","1","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309919","11.771","0.0015","14.0419","0.0017","10.8293","0.0013","90","","110.946","0.004","90","","1671.7","0.4","233","1","233","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-bis-(2-methyl-2-mercapto-prop-1-yl)-1,3-diamino -2,2-dimethyl-propanenickel(II)","","- C13 H28 N2 Ni S2 -","- C13 H28 N2 Ni S2 -","- C52 H112 N8 Ni4 S8 -","4","1","","Robert T. Stibrany; Stephen Fox; Parimal K. Bharadwaj; Harvey J. Schugar; Joseph A. Potenza","Structural and Spectroscopic Features of Mono- and Binuclear Nickel(II) Complexes with Tetradentate N(amine)2S(thiolate)2 Ligation","Inorganic Chemistry","2005","44","","8234","8242","10.1021/ic050114h","","","0.71073","MoKα","","0.035","0.0302","","","0.0732","0.0758","","","","","","1","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309920","11.852","0.002","14.115","0.003","10.878","0.002","90","","111.5","0.03","90","","1693.2","0.7","298","1","298","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-bis-(2-methyl-2-mercapto-prop-1-yl)-1,3-diamino -2,2-dimethyl-propanenickel(II)","","- C13 H28 N2 Ni S2 -","- C13 H28 N2 Ni S2 -","- C52 H112 N8 Ni4 S8 -","4","1","","Robert T. Stibrany; Stephen Fox; Parimal K. Bharadwaj; Harvey J. Schugar; Joseph A. Potenza","Structural and Spectroscopic Features of Mono- and Binuclear Nickel(II) Complexes with Tetradentate N(amine)2S(thiolate)2 Ligation","Inorganic Chemistry","2005","44","","8234","8242","10.1021/ic050114h","","","0.71073","MoKα","","0.0399","0.0312","","","0.0794","0.0826","","","","","","1","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309921","12.621","0.003","13.074","0.003","19.722","0.004","78.22","0.03","86.87","0.03","65.56","0.03","2898.6","1.4","153","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H77 Cl3 N15 O20.5 Pd3 -","- C33 H66 Cl3 N15 O20.5 Pd3 -","- C66 H132 Cl6 N30 O41 Pd6 -","2","1","","Wei-Zheng Shen; Deepali Gupta; Bernhard Lippert","Cyclic Trimer versus Head-Tail Dimer in Metal-Nucleobase Complexes: Importance of Relative Orientation (Syn,Anti) of the Metal Entities and Relevance as a Metallaazacrown Compound","Inorganic Chemistry","2005","44","","8249","8258","10.1021/ic050255j","","","0.71073","MoKα","","","0.0636","","","","0.151","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309922","5.9929","0.0012","9.6322","0.0019","21.324","0.005","90","","105.48","0.03","90","","1186.3","0.5","273","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 Cl2 N4 O10 Pd2 -","- C12 H34 Cl2 N4 O10 Pd2 -","- C24 H68 Cl4 N8 O20 Pd4 -","2","0.5","","Wei-Zheng Shen; Deepali Gupta; Bernhard Lippert","Cyclic Trimer versus Head-Tail Dimer in Metal-Nucleobase Complexes: Importance of Relative Orientation (Syn,Anti) of the Metal Entities and Relevance as a Metallaazacrown Compound","Inorganic Chemistry","2005","44","","8249","8258","10.1021/ic050255j","","","0.71073","MoKα","","","0.0448","","","","0.0872","","","","","","1.058","","","","has coordinates,has disorder","179137","2020-10-21","18:00:00",""
"4309923","8.4315","0.0006","11.0777","0.0008","24.0524","0.0018","90","","90","","90","","2246.5","0.3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Mn(PaPy3)(OCH3)](ClO4)","","","- C21 H23 Cl Mn N5 O6 -","- C21 H23 Cl Mn N5 O6 -","- C84 H92 Cl4 Mn4 N20 O24 -","4","1","","Kaushik Ghosh; Aura A. Eroy-Reveles; Marilyn M. Olmstead; Pradip K. Mascharak","Reductive Nitrosylation and Proton-Assisted Bridge Splitting of a (μ-Oxo)dimanganese(III) Complex Derived from a Polypyridine Ligand with One Carboxamide Group","Inorganic Chemistry","2005","44","","8469","8475","10.1021/ic0503535","","","0.71073","MoKα","","0.0432","0.0314","","","0.0697","0.0757","","","","","","1.021","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309924","11.2904","0.0009","17.3599","0.0013","17.875","0.0013","110.209","0.004","105.526","0.002","102.543","0.003","2976.3","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","[Mn(PaPy3)(OOC6H5)](ClO4).CH2Cl2","","","- C28 H27 Cl3 Mn N5 O7 -","- C28 H27 Cl3 Mn N5 O7 -","- C112 H108 Cl12 Mn4 N20 O28 -","4","2","","Kaushik Ghosh; Aura A. Eroy-Reveles; Marilyn M. Olmstead; Pradip K. Mascharak","Reductive Nitrosylation and Proton-Assisted Bridge Splitting of a (μ-Oxo)dimanganese(III) Complex Derived from a Polypyridine Ligand with One Carboxamide Group","Inorganic Chemistry","2005","44","","8469","8475","10.1021/ic0503535","","","0.71073","MoKα","","0.0907","0.0524","","","0.125","0.1471","","","","","","0.995","","","","has coordinates,has disorder","179137","2020-10-21","18:00:00",""
"4309925","17.112","0.003","13.682","0.003","22.511","0.005","90","","106.344","0.009","90","","5057.4","1.8","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(Mn(PaPy3))2(mu-O)](ClO4)2 . 2.7CH2Cl2 . 0.5CH3CN","","","- C43.7 H48.4 Cl7.4 Mn2 N10.5 O11 -","- C43.7 H44 Cl7.4 Mn2 N10.5 O11 -","- C174.8 H176 Cl29.6 Mn8 N42 O44 -","4","0.5","","Kaushik Ghosh; Aura A. Eroy-Reveles; Marilyn M. Olmstead; Pradip K. Mascharak","Reductive Nitrosylation and Proton-Assisted Bridge Splitting of a (μ-Oxo)dimanganese(III) Complex Derived from a Polypyridine Ligand with One Carboxamide Group","Inorganic Chemistry","2005","44","","8469","8475","10.1021/ic0503535","","","0.71073","MoKα","","0.0885","0.0615","","","0.156","0.1791","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309926","8.5126","0.0006","11.253","0.0007","26.6159","0.0017","90","","90","","90","","2549.6","0.3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Mn(PaPy3)(OC6H5)]ClO4","","","- C26 H25 Cl Mn N5 O6 -","- C26 H25 Cl Mn N5 O6 -","- C104 H100 Cl4 Mn4 N20 O24 -","4","1","","Kaushik Ghosh; Aura A. Eroy-Reveles; Marilyn M. Olmstead; Pradip K. Mascharak","Reductive Nitrosylation and Proton-Assisted Bridge Splitting of a (μ-Oxo)dimanganese(III) Complex Derived from a Polypyridine Ligand with One Carboxamide Group","Inorganic Chemistry","2005","44","","8469","8475","10.1021/ic0503535","","","0.71073","MoKα","","0.0336","0.0284","","","0.0684","0.0714","","","","","","1.026","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309927","13.3992","0.0004","9.9781","0.0004","7.6455","0.0002","90","","115.452","0.002","90","","922.98","0.05","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- N4 O12 U -","- N4 O12 U -","- N16 O48 U4 -","4","0.5","","Margaret-Jane Crawford; Peter Mayer","Structurally Characterized Ternary U-O-N Compound, UN4O12: UO2(NO3)2.N2O4 or NO+UO2(NO3)3-?","Inorganic Chemistry","2005","44","","8481","8485","10.1021/ic050409v","","","0.71073","MoKα","","0.0246","0.0228","","","0.0508","0.0515","","","","","","1.096","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309928","9.5477","0.0005","12.1061","0.0007","7.6112","0.0005","90","","111.256","0.004","90","","819.89","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cl N2 O -","- C8 H5 Cl N2 O -","- C32 H20 Cl4 N8 O4 -","4","1","","Daniel Robertson; John F. Cannon; Nikolay Gerasimchuk","Double-Stranded Metal-Organic Networks for One-Dimensional Mixed Valence Coordination Polymers","Inorganic Chemistry","2005","44","","8326","8342","10.1021/ic050465w","","","0.71073","MoKα","","0.0424","0.0333","","","0.0837","0.0891","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309929","11.8836","0.0009","6.8572","0.0004","11.339","0.0007","90","","115.389","0.005","90","","834.75","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cl N2 O -","- C8 H5 Cl N2 O -","- C32 H20 Cl4 N8 O4 -","4","1","","Daniel Robertson; John F. Cannon; Nikolay Gerasimchuk","Double-Stranded Metal-Organic Networks for One-Dimensional Mixed Valence Coordination Polymers","Inorganic Chemistry","2005","44","","8326","8342","10.1021/ic050465w","","","0.71073","MoKα","","0.0411","0.0352","","","0.0915","0.0961","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309930","3.8382","0.0007","11.0065","0.0018","20.901","0.004","90","","92.447","0.003","90","","882.2","0.3","293","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cl N2 O Tl -","- C8 H4 Cl N2 O Tl -","- C32 H16 Cl4 N8 O4 Tl4 -","4","1","","Daniel Robertson; John F. Cannon; Nikolay Gerasimchuk","Double-Stranded Metal-Organic Networks for One-Dimensional Mixed Valence Coordination Polymers","Inorganic Chemistry","2005","44","","8326","8342","10.1021/ic050465w","","","0.71073","MoKα","","0.0717","0.0689","","","0.165","0.1661","","","","","","1.282","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309931","13.1112","0.0013","4.0577","0.0004","17.094","0.0017","90","","92.14","0.002","90","","908.79","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Br N2 O Tl -","- C8 H4 Br N2 O Tl -","- C32 H16 Br4 N8 O4 Tl4 -","4","1","","Daniel Robertson; John F. Cannon; Nikolay Gerasimchuk","Double-Stranded Metal-Organic Networks for One-Dimensional Mixed Valence Coordination Polymers","Inorganic Chemistry","2005","44","","8326","8342","10.1021/ic050465w","","","0.71073","MoKα","","0.0338","0.0283","","","0.0652","0.0693","","","","","","0.92","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309932","8.8626","0.0018","12.533","0.003","7.145","0.0011","90","","106.577","0.015","90","","760.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","m-Fluorophenyl-cyanoxime","","- C8 H5 F N2 O -","- C8 H5 F N2 O -","- C32 H20 F4 N8 O4 -","4","1","","Daniel Robertson; John F. Cannon; Nikolay Gerasimchuk","Double-Stranded Metal-Organic Networks for One-Dimensional Mixed Valence Coordination Polymers","Inorganic Chemistry","2005","44","","8326","8342","10.1021/ic050465w","","","0.71073","MoKα","","0.1708","0.0655","","","0.1301","0.1605","","","","","","0.93","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309933","5.599","0.001","7.401","0.002","14.232","0.004","90","","90","","90","","589.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P n m n","-P 2n 2n","58","","catena-[(mu-oxalato)bis(4-amine-1,2,4-triazole)manganese(II)]","","- C6 H8 Mn N8 O4 -","- C6 H8 Mn N8 O4 -","- C12 H16 Mn2 N16 O8 -","2","0.25","","Urko García-Couceiro; David Olea; Oscar Castillo; Antonio Luque; Pascual Román; Pedro J. de Pablo; Julio Gómez-Herrero; Félix Zamora","Scanning Probe Microscopy Characterization of Single Chains Based on a One-Dimensional Oxalato-Bridged Manganese(II) Complex with 4-Aminotriazole","Inorganic Chemistry","2005","44","","8343","8348","10.1021/ic0505302","","","0.71069","MoKα","","0.1116","0.04","","","0.0744","0.0928","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309934","10.853","0.002","12.893","0.003","13.407","0.003","90","","103.28","0.03","90","","1825.8","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Ca N8 O10 -","- C10 H20 Ca N8 O10 -","- C40 H80 Ca4 N32 O40 -","4","1","","Laura A. Clapp; Chynthia J. Siddons; Jason R. Whitehead; Donald G. VanDerveer; Robin D. Rogers; Scott T. Griffin; S. Bart Jones; Robert D. Hancock","Factors Controlling Metal-Ion Selectivity in the Binding Sites of Calcium-Binding Proteins. The Metal-Binding Properties of Amide Donors. A Crystallographic and Thermodynamic Study","Inorganic Chemistry","2005","44","","8495","8502","10.1021/ic050632s","","","0.71073","MoKα","","0.0316","0.0281","","","0.0687","0.0703","","","","","","1.109","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309935","8.6949","0.0017","9.96","0.002","16.136","0.003","95.57","0.03","94.84","0.03","98.72","0.03","1367.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H23 La N9 O18.5 -","- C10 H20 La N9 O18.5 -","- C20 H40 La2 N18 O37 -","2","1","","Laura A. Clapp; Chynthia J. Siddons; Jason R. Whitehead; Donald G. VanDerveer; Robin D. Rogers; Scott T. Griffin; S. Bart Jones; Robert D. Hancock","Factors Controlling Metal-Ion Selectivity in the Binding Sites of Calcium-Binding Proteins. The Metal-Binding Properties of Amide Donors. A Crystallographic and Thermodynamic Study","Inorganic Chemistry","2005","44","","8495","8502","10.1021/ic050632s","","","0.71073","MoKα","","0.0415","0.0394","","","0.1091","0.1107","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309936","10.7666","0.0017","12.952","0.002","13.273","0.002","90","","103.572","0.003","90","","1799.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd(EDTAM)(NO3)2","","","- C10 H20 Cd N8 O10 -","- C10 H20 Cd N8 O10 -","- C40 H80 Cd4 N32 O40 -","4","1","","Laura A. Clapp; Chynthia J. Siddons; Jason R. Whitehead; Donald G. VanDerveer; Robin D. Rogers; Scott T. Griffin; S. Bart Jones; Robert D. Hancock","Factors Controlling Metal-Ion Selectivity in the Binding Sites of Calcium-Binding Proteins. The Metal-Binding Properties of Amide Donors. A Crystallographic and Thermodynamic Study","Inorganic Chemistry","2005","44","","8495","8502","10.1021/ic050632s","","","0.71073","MoKα","","0.0177","0.0167","","","0.0426","0.0432","","","","","","1.083","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309937","14.266","0.002","10.6915","0.0015","17.171","0.002","90","","90","","90","","2619","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H24 N4 Ni O6 -","- C28 H20 N4 Ni O6 -","- C112 H80 N16 Ni4 O24 -","4","0.5","","Yong Bok Go; Xiqu Wang; Ekaterina V. Anokhina; Allan J. Jacobson","Influence of the Reaction Temperature and pH on the Coordination Modes of the 1,4-Benzenedicarboxylate (BDC) Ligand: A Case Study of the NiII(BDC)/2,2'-Bipyridine System","Inorganic Chemistry","2005","44","","8265","8271","10.1021/ic050644d","","","0.71073","MoKα","","0.0402","0.0306","","","0.0815","0.0883","","","","","","1.039","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309938","7.4896","0.0009","9.9117","0.0012","13.5085","0.0017","86.39","0.002","75.825","0.002","79.612","0.002","956.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N2 Ni O6 -","- C22 H15 N2 Ni O6 -","- C44 H30 N4 Ni2 O12 -","2","1","","Yong Bok Go; Xiqu Wang; Ekaterina V. Anokhina; Allan J. Jacobson","Influence of the Reaction Temperature and pH on the Coordination Modes of the 1,4-Benzenedicarboxylate (BDC) Ligand: A Case Study of the NiII(BDC)/2,2'-Bipyridine System","Inorganic Chemistry","2005","44","","8265","8271","10.1021/ic050644d","","","0.71073","MoKα","","0.0762","0.049","","","0.1021","0.112","","","","","","1.03","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309939","9.6254","0.0018","17.98","0.003","25.131","0.005","90","","90","","90","","4349.3","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H28 N4 Ni3 O12 -","- C44 H28 N4 Ni3 O12 -","- C176 H112 N16 Ni12 O48 -","4","0.5","","Yong Bok Go; Xiqu Wang; Ekaterina V. Anokhina; Allan J. Jacobson","Influence of the Reaction Temperature and pH on the Coordination Modes of the 1,4-Benzenedicarboxylate (BDC) Ligand: A Case Study of the NiII(BDC)/2,2'-Bipyridine System","Inorganic Chemistry","2005","44","","8265","8271","10.1021/ic050644d","","","0.71073","MoKα","","0.059","0.0353","","","0.0716","0.0786","","","","","","1.036","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309940","8.184","0.002","8.478","0.002","12.504","0.003","99.007","0.003","92.494","0.004","110.729","0.004","796.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Ag2 Cl2 N8 O8 -","- C28 H28 Ag2 Cl2 N8 O8 -","- C28 H28 Ag2 Cl2 N8 O8 -","1","0.5","","Chun-Long Chen; Hai-Yan Tan; Jun-Hua Yao; Yi-Qian Wan; Cheng-Yong Su","Disilver(I) Rectangular-Shaped Metallacycles: X-ray Crystal Structure and Dynamic Behavior in Solution","Inorganic Chemistry","2005","44","","8510","8520","10.1021/ic050673o","","","0.71073","MoKα","","0.0597","0.0425","","","0.1041","0.1076","","","","","","1.056","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309941","7.999","0.004","8.397","0.004","12.717","0.006","100.271","0.006","91.555","0.006","110.988","0.005","780.9","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Ag2 B2 F8 N8 -","- C28 H28 Ag2 B2 F8 N8 -","- C28 H28 Ag2 B2 F8 N8 -","1","0.5","","Chun-Long Chen; Hai-Yan Tan; Jun-Hua Yao; Yi-Qian Wan; Cheng-Yong Su","Disilver(I) Rectangular-Shaped Metallacycles: X-ray Crystal Structure and Dynamic Behavior in Solution","Inorganic Chemistry","2005","44","","8510","8520","10.1021/ic050673o","","","0.71073","MoKα","","0.0434","0.0348","","","0.0955","0.1059","","","","","","1.011","","","","has coordinates,has disorder","179137","2020-10-21","18:00:00",""
"4309942","9.418","0.002","10.244","0.003","11.219","0.003","69.045","0.003","88.145","0.004","74.178","0.004","969.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Ag2 F6 N8 O6 -","- C34 H36 Ag2 F6 N8 O6 -","- C34 H36 Ag2 F6 N8 O6 -","1","0.5","","Chun-Long Chen; Hai-Yan Tan; Jun-Hua Yao; Yi-Qian Wan; Cheng-Yong Su","Disilver(I) Rectangular-Shaped Metallacycles: X-ray Crystal Structure and Dynamic Behavior in Solution","Inorganic Chemistry","2005","44","","8510","8520","10.1021/ic050673o","","","0.71073","MoKα","","0.0641","0.0447","","","0.1087","0.1175","","","","","","1.089","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309943","7.397","0.004","11.331","0.006","14.2","0.008","92.149","0.009","93.439","0.009","107.522","0.009","1131","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Ag2 Cl2 N10 O10 -","- C42 H50 Ag2 Cl2 N10 O10 -","- C42 H50 Ag2 Cl2 N10 O10 -","1","0.5","","Chun-Long Chen; Hai-Yan Tan; Jun-Hua Yao; Yi-Qian Wan; Cheng-Yong Su","Disilver(I) Rectangular-Shaped Metallacycles: X-ray Crystal Structure and Dynamic Behavior in Solution","Inorganic Chemistry","2005","44","","8510","8520","10.1021/ic050673o","","","0.71073","MoKα","","0.0458","0.0364","","","0.1206","0.1334","","","","","","1.057","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309944","9.45","0.005","10.407","0.005","11.061","0.006","101.076","0.009","98.593","0.009","94.408","0.009","1049.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Ag2 F6 N8 O6 -","- C40 H40 Ag2 F6 N8 O6 -","- C40 H40 Ag2 F6 N8 O6 -","1","0.5","","Chun-Long Chen; Hai-Yan Tan; Jun-Hua Yao; Yi-Qian Wan; Cheng-Yong Su","Disilver(I) Rectangular-Shaped Metallacycles: X-ray Crystal Structure and Dynamic Behavior in Solution","Inorganic Chemistry","2005","44","","8510","8520","10.1021/ic050673o","","","0.71073","MoKα","","0.0531","0.0403","","","0.1278","0.1433","","","","","","1.091","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309945","8.0453","0.0007","18.6762","0.0016","24.489","0.002","90","","90","","90","","3679.6","0.5","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 Cl Cu2 La N10 O17 -","- C20 H34 Cl Cu2 La N10 O17 -","- C80 H136 Cl4 Cu8 La4 N40 O68 -","4","1","","Feng He; Ming-Liang Tong; Xiao-Ming Chen","Synthesis, Structures, and Magnetic Properties of Heteronuclear Cu(II)-Ln(III) (Ln = La, Gd, or Tb) Complexes","Inorganic Chemistry","2005","44","","8285","8292","10.1021/ic0507159","","","0.71073","MoKα","","0.1241","0.0776","","","0.162","0.1848","","","","","","1.076","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309946","7.6049","0.0005","19.5974","0.0013","13.6724","0.0009","90","","104.438","0.001","90","","1973.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cu N5 O13 Tb -","- C12 H16 Cu N5 O13 Tb -","- C48 H64 Cu4 N20 O52 Tb4 -","4","1","","Feng He; Ming-Liang Tong; Xiao-Ming Chen","Synthesis, Structures, and Magnetic Properties of Heteronuclear Cu(II)-Ln(III) (Ln = La, Gd, or Tb) Complexes","Inorganic Chemistry","2005","44","","8285","8292","10.1021/ic0507159","","","0.71073","MoKα","","0.0346","0.0293","","","0.066","0.0684","","","","","","0.991","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309947","8.1445","0.0006","18.2549","0.0013","24.6727","0.0018","90","","97.429","0.002","90","","3637.5","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Cl Cu2 N10 O18 Tb -","- C20 H36 Cl Cu2 N10 O18 Tb -","- C80 H144 Cl4 Cu8 N40 O72 Tb4 -","4","1","","Feng He; Ming-Liang Tong; Xiao-Ming Chen","Synthesis, Structures, and Magnetic Properties of Heteronuclear Cu(II)-Ln(III) (Ln = La, Gd, or Tb) Complexes","Inorganic Chemistry","2005","44","","8285","8292","10.1021/ic0507159","","","0.71073","MoKα","","0.0708","0.0481","","","0.1096","0.1241","","","","","","1.031","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309948","7.5471","0.0004","19.8537","0.0012","13.8604","0.0008","90","","105.22","0.001","90","","2004","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cu Gd N5 O13 -","- C12 H16 Cu Gd N5 O13 -","- C48 H64 Cu4 Gd4 N20 O52 -","4","1","","Feng He; Ming-Liang Tong; Xiao-Ming Chen","Synthesis, Structures, and Magnetic Properties of Heteronuclear Cu(II)-Ln(III) (Ln = La, Gd, or Tb) Complexes","Inorganic Chemistry","2005","44","","8285","8292","10.1021/ic0507159","","","0.71073","MoKα","","0.0306","0.0288","","","0.0845","0.086","","","","","","0.886","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309949","8.1322","0.0007","18.2501","0.0017","24.585","0.002","90","","95.163","0.002","90","","3633.9","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Cl Cu2 Gd N10 O18 -","- C20 H36 Cl Cu2 Gd N10 O18 -","- C80 H144 Cl4 Cu8 Gd4 N40 O72 -","4","1","","Feng He; Ming-Liang Tong; Xiao-Ming Chen","Synthesis, Structures, and Magnetic Properties of Heteronuclear Cu(II)-Ln(III) (Ln = La, Gd, or Tb) Complexes","Inorganic Chemistry","2005","44","","8285","8292","10.1021/ic0507159","","","0.71073","MoKα","","0.1002","0.0705","","","0.1448","0.1575","","","","","","1.13","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309950","7.5307","0.0006","19.9609","0.0015","14.016","0.001","90","","105.459","0.001","90","","2030.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cu La N5 O13 -","- C12 H16 Cu La N5 O13 -","- C48 H64 Cu4 La4 N20 O52 -","4","1","","Feng He; Ming-Liang Tong; Xiao-Ming Chen","Synthesis, Structures, and Magnetic Properties of Heteronuclear Cu(II)-Ln(III) (Ln = La, Gd, or Tb) Complexes","Inorganic Chemistry","2005","44","","8285","8292","10.1021/ic0507159","","","0.71073","MoKα","","0.0317","0.0279","","","0.0688","0.0707","","","","","","1.036","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309951","9.918","0.006","14.017","0.01","17.535","0.01","100.04","0.04","91.68","0.06","105.88","0.1","2301","3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H56 Cl2 N12 O2 -","- C47 H56 Cl2 N12 O2 -","- C94 H112 Cl4 N24 O4 -","2","1","","Chang Zhong; Min Zhao; Charlotte Stern; Anthony G. M. Barrett; Brian M. Hoffman","Novel Metal-Linked Face-to-Face Porphyrazine Dimer","Inorganic Chemistry","2005","44","","8272","8276","10.1021/ic050788s","","","0.71073","MoKα","","0.174","0.0782","","","0.1865","0.2322","","","","","","0.911","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309952","14.254","0.003","52.652","0.013","13.443","0.002","90","","101.065","0.017","90","","9901","4","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C101 H109 Cu2 N24 Ni2 O7 -","- C101 H109 Cu2 N24 Ni2 O7 -","- C404 H436 Cu8 N96 Ni8 O28 -","4","1","","Chang Zhong; Min Zhao; Charlotte Stern; Anthony G. M. Barrett; Brian M. Hoffman","Novel Metal-Linked Face-to-Face Porphyrazine Dimer","Inorganic Chemistry","2005","44","","8272","8276","10.1021/ic050788s","","","0.71073","MoKα","","0.1184","0.0646","","","0.1482","0.1743","","","","","","0.946","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309953","13.335","0.002","17.244","0.003","36.902","0.005","90","","90","","90","","8486","2","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","S3ZnSEt","","","- C38 H51 B N6 O3 S4 Zn -","- C38 H51 B N6 O3 S4 Zn -","- C304 H408 B8 N48 O24 S32 Zn8 -","8","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.0803","0.0466","","","0.1176","0.1373","","","","","","1.023","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309954","9.597","0.013","14.802","0.019","17.02","0.02","74.16","0.02","78.86","0.02","76.81","0.02","2242","5","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H47 B N8 S4 Zn -","- C44 H47 B N8 S4 Zn -","- C88 H94 B2 N16 S8 Zn2 -","2","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.2364","0.1072","","","0.2467","0.2937","","","","","","0.819","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309955","9.4395","0.0017","15.564","0.003","16.234","0.003","75.993","0.004","83.827","0.004","80.03","0.004","2273.8","0.7","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H52 B N7 O3 S4 Zn -","- C41 H52 B N7 O3 S4 Zn -","- C82 H104 B2 N14 O6 S8 Zn2 -","2","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.1817","0.0649","","","0.1512","0.1994","","","","","","0.919","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309956","26.49","0.005","12.21","0.003","34.559","0.005","90","","130.062","0.009","90","","8555","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H82 B2 N12 O3 S8 Zn2 -","- C81 H82 B2 N12 O3 S8 Zn2 -","- C324 H328 B8 N48 O12 S32 Zn8 -","4","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.1814","0.0653","","","0.1569","0.2118","","","","","","0.964","","","","has coordinates,has disorder","179137","2020-10-21","18:00:00",""
"4309957","9.7794","0.0017","32.709","0.006","13.584","0.002","90","","102.445","0.007","90","","4243.1","1.2","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 B N7 O2 S4 Zn -","- C39 H38 B N7 O2 S4 Zn -","- C156 H152 B4 N28 O8 S16 Zn4 -","4","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.1043","0.0523","","","0.1497","0.1754","","","","","","0.955","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309958","12.5231","0.0011","14.2467","0.0013","15.5339","0.0014","107.608","0.002","104.358","0.002","109.185","0.002","2301.6","0.4","206","2","206","2","","","","","","","","7","P -1","-P 1","2","Y","Y","","- C44 H47 B N8 O2 S4 Zn -","- C44 H47 B N8 O2 S4 Zn -","- C88 H94 B2 N16 O4 S8 Zn2 -","2","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.1924","0.0709","","","0.1681","0.2425","","","","","","0.94","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309959","12.5549","0.0017","19.139","0.003","19.16","0.003","90","","98.856","0.003","90","","4549","1.2","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 B Cl2 F5 N6 S4 Zn -","- C40 H36 B Cl2 F5 N6 S4 Zn -","- C160 H144 B4 Cl8 F20 N24 S16 Zn4 -","4","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.2595","0.0891","","","0.2402","0.3181","","","","","","0.843","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309960","16.999","0.005","20.114","0.006","23.796","0.007","90","","106.376","0.007","90","","7806","4","245","2","245","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68.5 H73 B2 Cl N12 O4.5 S7 Zn2 -","- C68.5 H73 B2 Cl N12 O4.5 S7 Zn2 -","- C274 H292 B8 Cl4 N48 O18 S28 Zn8 -","4","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.3394","0.0952","","","0.2492","0.3546","","","","","","0.814","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309961","10.865","0.003","17.411","0.005","17.756","0.005","92.114","0.005","101.344","0.005","91.189","0.005","3289.7","1.6","454","2","454","2","","","","","","","","8","P -1","-P 1","2","Y","Y","","- C44 H73 B2 Cl N12 O4 S7 Zn2 -","- C44 H73 B2 Cl N12 O4 S7 Zn2 -","- C88 H146 B4 Cl2 N24 O8 S14 Zn4 -","2","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.2725","0.1451","","","0.3478","0.4519","","","","","","1.058","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309962","10.731","0.003","11.493","0.003","28.971","0.007","90","","90","","90","","3573","1.6","243","2","243","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 B N6 O S4 Zn -","- C34 H39 B N6 O S4 Zn -","- C136 H156 B4 N24 O4 S16 Zn4 -","4","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.0689","0.0458","","","0.1304","0.1514","","","","","","1.043","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309963","11.1852","0.0019","17.701","0.003","23.21","0.004","90","","98.895","0.003","90","","4540.1","1.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 B N6 O8 P S3 Zn -","- C39 H51 B N6 O8 P S3 Zn -","- C156 H204 B4 N24 O32 P4 S12 Zn4 -","4","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.2343","0.0766","","","0.19","0.2808","","","","","","0.971","","","","has coordinates,has disorder","179137","2020-10-21","18:00:00",""
"4309964","12.47","0.014","12.464","0.013","13.947","0.012","70.72","0.03","79.76","0.03","90.06","0.03","2009","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Porphyrazinealuminiumchloride","","","- C16 Al Cl N16 S4 -","- C16 Al Cl N16 S4 -","- C64 Al4 Cl4 N64 S16 -","4","2","","Maria Pia Donzello; Rita Agostinetto; Svetlana S. Ivanova; Masato Fujimori; Yosuke Suzuki; Hirofumi Yoshikawa; Jing Shen; Kunio Awaga; Claudio Ercolani; Karl M. Kadish; Pavel A. Stuzhin","Tetrakis(thiadiazole)porphyrazines. 4. Direct Template Synthesis, Structure, General Physicochemical Behavior, and Redox Properties of AlIII, GaIII, and InIII Complexes","Inorganic Chemistry","2005","44","","8539","8551","10.1021/ic050866b","","","0.7107","MoKα","","0.1719","0.1626","","","0.4681","0.4738","","","","","","2.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309965","12.429","0.003","12.43","0.003","13.851","0.003","70.663","0.006","79.788","0.008","89.991","0.009","1983.2","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Porphyrazinegalliumchloride","","","- C16 Cl Ga N16 S4 -","- C16 Cl Ga N16 S4 -","- C64 Cl4 Ga4 N64 S16 -","4","2","","Maria Pia Donzello; Rita Agostinetto; Svetlana S. Ivanova; Masato Fujimori; Yosuke Suzuki; Hirofumi Yoshikawa; Jing Shen; Kunio Awaga; Claudio Ercolani; Karl M. Kadish; Pavel A. Stuzhin","Tetrakis(thiadiazole)porphyrazines. 4. Direct Template Synthesis, Structure, General Physicochemical Behavior, and Redox Properties of AlIII, GaIII, and InIII Complexes","Inorganic Chemistry","2005","44","","8539","8551","10.1021/ic050866b","","","0.7107","MoKα","","0.0862","0.0489","","","0.1074","0.126","","","","","","1.01","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309966","13.0872","0.0005","13.7656","0.0006","16.6853","0.0007","94.657","0.001","103.268","0.001","111.177","0.001","2683.13","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{[3,5-(CF3)2Pz]Au}3-0.5Toluene","","","- C18.5 H7 Au3 F18 N6 -","- C18.5 H7 Au3 F18 N6 -","- C74 H28 Au12 F72 N24 -","4","2","","Mohammad A. Omary; Manal A. Rawashdeh-Omary; M. W. Alexander Gonser; Oussama Elbjeirami; Tom Grimes; Thomas R. Cundari; Himashinie V. K. Diyabalanage; Chammi S. Palehepitiya Gamage; H. V. Rasika Dias","Metal Effect on the Supramolecular Structure, Photophysics, and Acid-Base Character of Trinuclear Pyrazolato Coinage Metal Complexes","Inorganic Chemistry","2005","44","","8200","8210","10.1021/ic0508730","","","0.71073","MoKα","","0.0289","0.0255","","","0.0691","0.0707","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309967","10.1597","0.0006","10.5111","0.0006","11.6798","0.0007","74.034","0.001","74.724","0.001","78.434","0.001","1145.72","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{[3,5-(CF3)2Pz]Ag}3","","","- C15 H3 Ag3 F18 N6 -","- C15 H3 Ag3 F18 N6 -","- C30 H6 Ag6 F36 N12 -","2","1","","Mohammad A. Omary; Manal A. Rawashdeh-Omary; M. W. Alexander Gonser; Oussama Elbjeirami; Tom Grimes; Thomas R. Cundari; Himashinie V. K. Diyabalanage; Chammi S. Palehepitiya Gamage; H. V. Rasika Dias","Metal Effect on the Supramolecular Structure, Photophysics, and Acid-Base Character of Trinuclear Pyrazolato Coinage Metal Complexes","Inorganic Chemistry","2005","44","","8200","8210","10.1021/ic0508730","","","0.71073","MoKα","","0.0345","0.0281","","","0.062","0.0653","","","","","","1.042","","","","has coordinates,has disorder","179137","2020-10-21","18:00:00",""
"4309968","9.0547","0.0003","11.7744","0.0004","12.0997","0.0005","65.971","0.001","80.683","0.001","80.481","0.001","1155.56","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{[3,5-(CF3)2Pz]Au}3","","","- C15 H3 Au3 F18 N6 -","- C15 H3 Au3 F18 N6 -","- C30 H6 Au6 F36 N12 -","2","1","","Mohammad A. Omary; Manal A. Rawashdeh-Omary; M. W. Alexander Gonser; Oussama Elbjeirami; Tom Grimes; Thomas R. Cundari; Himashinie V. K. Diyabalanage; Chammi S. Palehepitiya Gamage; H. V. Rasika Dias","Metal Effect on the Supramolecular Structure, Photophysics, and Acid-Base Character of Trinuclear Pyrazolato Coinage Metal Complexes","Inorganic Chemistry","2005","44","","8200","8210","10.1021/ic0508730","","","0.71073","MoKα","","0.0219","0.0204","","","0.0496","0.0502","","","","","","1.065","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309969","13.052","0.005","12.092","0.005","15.99","0.007","90","","97.653","0.005","90","","2501.1","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1a'","tetrakis(μ~2~-Pivalamidato-N,O)-tetra-ammine-octa-chloro-penta-platinum(ii,iii)","","- C26 H66 Cl8 N8 O8 Pt5 -","- C26 H66 Cl8 N8 O8 Pt5 -","- C52 H132 Cl16 N16 O16 Pt10 -","2","0.5","","Kazuko Matsumoto; Saiko Arai; Masahiko Ochiai; Wanzhi Chen; Ayako Nakata; Hiromi Nakai; Shuhei Kinoshita","Synthesis of the Pivalamidate-Bridged Pentanuclear Platinum(II,III) Linear Complexes with Pt...Pt Interactions","Inorganic Chemistry","2005","44","","8552","8560","10.1021/ic050942a","","","0.71073","MoKα","","0.0413","0.0296","","","0.062","0.0668","","","","","","0.992","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309970","13.184","0.005","11.263","0.004","15.025","0.006","90","","102.117","0.007","90","","2181.4","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4a","bis(μ~2~-Pivalamidato-N,O)-di-ammine-tetra-chloro-di-platinum(iii)","","- C10 H26 Cl4 N4 O2 Pt2 -","- C10 H26 Cl4 N4 O2 Pt2 -","- C40 H104 Cl16 N16 O8 Pt8 -","4","1","","Kazuko Matsumoto; Saiko Arai; Masahiko Ochiai; Wanzhi Chen; Ayako Nakata; Hiromi Nakai; Shuhei Kinoshita","Synthesis of the Pivalamidate-Bridged Pentanuclear Platinum(II,III) Linear Complexes with Pt...Pt Interactions","Inorganic Chemistry","2005","44","","8552","8560","10.1021/ic050942a","","","0.71073","MoKα","","0.0752","0.0471","","","0.1157","0.1302","","","","","","1.043","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309971","24.607","0.009","15.454","0.006","15.572","0.006","90","","90","","90","","5922","4","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","1c","tetrakis(μ~2~-Pivalamidato)-tetraammine-tetrabromo-tetrachloro-pentaplatinum","","- C32 H74 Br4 Cl4 N8 O8 Pt5 -","- C32 H74 Br4 Cl4 N8 O8 Pt5 -","- C128 H296 Br16 Cl16 N32 O32 Pt20 -","4","1","","Kazuko Matsumoto; Saiko Arai; Masahiko Ochiai; Wanzhi Chen; Ayako Nakata; Hiromi Nakai; Shuhei Kinoshita","Synthesis of the Pivalamidate-Bridged Pentanuclear Platinum(II,III) Linear Complexes with Pt...Pt Interactions","Inorganic Chemistry","2005","44","","8552","8560","10.1021/ic050942a","","","0.71073","MoKα","","0.087","0.0508","","","0.1189","0.145","","","","","","1.011","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309972","11.298","0.002","23.321","0.005","11.18","0.002","90","","92.146","0.004","90","","2943.6","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1d","tetrakis(μ~2~-Pivalamidato-N,O)-tetraammine-octabromo-pentaplatinum(ii,iii)","","- C32 H74 Br8 N8 O8 Pt5 -","- C32 H74 Br8 N8 O8 Pt5 -","- C64 H148 Br16 N16 O16 Pt10 -","2","0.5","","Kazuko Matsumoto; Saiko Arai; Masahiko Ochiai; Wanzhi Chen; Ayako Nakata; Hiromi Nakai; Shuhei Kinoshita","Synthesis of the Pivalamidate-Bridged Pentanuclear Platinum(II,III) Linear Complexes with Pt...Pt Interactions","Inorganic Chemistry","2005","44","","8552","8560","10.1021/ic050942a","","","0.71073","MoKα","","0.0586","0.0373","","","0.0891","0.0996","","","","","","1.033","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309973","13.25","0.003","11.313","0.002","15.613","0.003","90","","104.137","0.004","90","","2269.5","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4b","bis(μ~2~-Pivalamidato-N,O)-tetra-ammine-tetra-bromo-di-platinum(iii)","","- C10 H26 Br4 N4 O2 Pt2 -","- C10 H26 Br4 N4 O2 Pt2 -","- C40 H104 Br16 N16 O8 Pt8 -","4","1","","Kazuko Matsumoto; Saiko Arai; Masahiko Ochiai; Wanzhi Chen; Ayako Nakata; Hiromi Nakai; Shuhei Kinoshita","Synthesis of the Pivalamidate-Bridged Pentanuclear Platinum(II,III) Linear Complexes with Pt...Pt Interactions","Inorganic Chemistry","2005","44","","8552","8560","10.1021/ic050942a","","","0.71073","MoKα","","0.1334","0.0533","","","0.1073","0.1305","","","","","","0.919","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309974","24.395","0.016","15.425","0.011","15.577","0.01","90","","90","","90","","5862","7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","1a","tetrakis(μ~2~-Pivalamidato-N,O)-tetra-ammine-octa-chloro-penta-platinum(ii,iii)","","- C32 H74 Cl8 N8 O8 Pt5 -","- C32 H74 Cl8 N8 O8 Pt5 -","- C128 H296 Cl32 N32 O32 Pt20 -","4","1","","Kazuko Matsumoto; Saiko Arai; Masahiko Ochiai; Wanzhi Chen; Ayako Nakata; Hiromi Nakai; Shuhei Kinoshita","Synthesis of the Pivalamidate-Bridged Pentanuclear Platinum(II,III) Linear Complexes with Pt...Pt Interactions","Inorganic Chemistry","2005","44","","8552","8560","10.1021/ic050942a","","","0.71073","MoKα","","0.1411","0.0514","","","0.0927","0.1198","","","","","","0.964","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309975","11.838","0.006","11.12","0.005","20.017","0.009","90","","104.014","0.008","90","","2557","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1b","tetrakis(μ~2~-Pivalamidato)-tetraammine-tetrabromo-tetrachloro-pentaplatinum","","- C26 H62 Br4 Cl4 N8 O6 Pt5 -","- C26 H62 Br4 Cl4 N8 O6 Pt5 -","- C52 H124 Br8 Cl8 N16 O12 Pt10 -","2","0.5","","Kazuko Matsumoto; Saiko Arai; Masahiko Ochiai; Wanzhi Chen; Ayako Nakata; Hiromi Nakai; Shuhei Kinoshita","Synthesis of the Pivalamidate-Bridged Pentanuclear Platinum(II,III) Linear Complexes with Pt...Pt Interactions","Inorganic Chemistry","2005","44","","8552","8560","10.1021/ic050942a","","","0.71073","MoKα","","0.1854","0.0571","","","0.0984","0.1312","","","","","","0.895","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309976","9.4221","0.0018","10.779","0.002","14.826","0.003","80.988","0.007","76.2","0.007","73.758","0.005","1397.4","0.5","103","2","103","2","","","","","","","","5","P -1","-P 1","2","PhPdCl2","","","- C30 H22 Cl2 Pd S4 -","- C30 H22 Cl2 Pd S4 -","- C60 H44 Cl4 Pd2 S8 -","2","1","","Nobuhiro Takeda; Daisuke Shimizu; Norihiro Tokitoh","Synthesis and Structure of a Distorted Octahedral Palladium(II) Complex Coordinated with a Tetrathioether Ligand Tethered with Bulky Substituents","Inorganic Chemistry","2005","44","","8561","8568","10.1021/ic050944v","","","0.7107","MoKα","","0.0349","0.029","","","0.0571","0.0594","","","","","","1.092","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309977","14.0803","0.0006","16.5775","0.0007","19.9887","0.0009","90","","90.613","0.003","90","","4665.4","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","S4ligand","","","- C73 H131 Cl3 S4 Si12 -","- C73 H131 Cl3 S4 Si12 -","- C146 H262 Cl6 S8 Si24 -","2","1","","Nobuhiro Takeda; Daisuke Shimizu; Norihiro Tokitoh","Synthesis and Structure of a Distorted Octahedral Palladium(II) Complex Coordinated with a Tetrathioether Ligand Tethered with Bulky Substituents","Inorganic Chemistry","2005","44","","8561","8568","10.1021/ic050944v","","","0.71069","MoKα","","0.093","0.0636","","","0.154","0.1757","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309978","7.5404","0.001","10.4513","0.0016","16.759","0.003","88.513","0.006","78.037","0.005","71.784","0.004","1226.2","0.3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","Phligand","","","- C30 H22 S4 -","- C30 H22 S4 -","- C60 H44 S8 -","2","1","","Nobuhiro Takeda; Daisuke Shimizu; Norihiro Tokitoh","Synthesis and Structure of a Distorted Octahedral Palladium(II) Complex Coordinated with a Tetrathioether Ligand Tethered with Bulky Substituents","Inorganic Chemistry","2005","44","","8561","8568","10.1021/ic050944v","","","0.7107","MoKα","","0.0332","0.0306","","","0.0738","0.0754","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309979","41.273","0.003","12.8906","0.0006","19.3198","0.0011","90","","105.752","0.002","90","","9892.8","1","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","S4PdCl2","","","- C74 H134 Cl6 Pd S4 Si12 -","- C74 H134 Cl6 Pd S4 Si12 -","- C296 H536 Cl24 Pd4 S16 Si48 -","4","0.5","","Nobuhiro Takeda; Daisuke Shimizu; Norihiro Tokitoh","Synthesis and Structure of a Distorted Octahedral Palladium(II) Complex Coordinated with a Tetrathioether Ligand Tethered with Bulky Substituents","Inorganic Chemistry","2005","44","","8561","8568","10.1021/ic050944v","","","0.7107","MoKα","","0.0576","0.0549","","","0.1393","0.1414","","","","","","1.079","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309980","10.6055","0.0007","10.6869","0.0007","14.5662","0.0009","87.532","0.001","89.14","0.001","86.07","0.001","1645.4","0.18","203","","203","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl2 Fe N2 O2 -","- C12 H24 Cl2 Fe N2 O2 -","- C48 H96 Cl8 Fe4 N8 O8 -","4","2","","Ned J. Hardman; Xinggao Fang; Brian L. Scott; Robert J. Wright; Richard L. Martin; Gregory J. Kubas","High-Spin Diimine Complexes of Iron(II) Reject Binding of Carbon Monoxide: Theoretical Analysis of Thermodynamic Factors Inhibiting or Favoring Spin-Crossover","Inorganic Chemistry","2005","44","","8306","8316","10.1021/ic050966h","","","0.71073","MoKα","","0.0945","0.0578","","","0.1092","0.1214","","","","","","1.13","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309981","16.3145","0.0013","9.2831","0.0008","19.4183","0.0017","90","","112.162","0.002","90","","2723.6","0.4","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 Cl8 Fe N4 -","- C16 H32 Cl8 Fe N4 -","- C64 H128 Cl32 Fe4 N16 -","4","0.5","","Ned J. Hardman; Xinggao Fang; Brian L. Scott; Robert J. Wright; Richard L. Martin; Gregory J. Kubas","High-Spin Diimine Complexes of Iron(II) Reject Binding of Carbon Monoxide: Theoretical Analysis of Thermodynamic Factors Inhibiting or Favoring Spin-Crossover","Inorganic Chemistry","2005","44","","8306","8316","10.1021/ic050966h","","","0.71073","MoKα","","0.0463","0.0369","","","0.0898","0.093","","","","","","1.299","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309982","10.957","0.007","16.085","0.008","14.554","0.009","90","","92.345","0.007","90","","2563","3","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 F6 Fe N4 O6 S2 -","- C16 H30 F6 Fe N4 O6 S2 -","- C64 H120 F24 Fe4 N16 O24 S8 -","4","1","","Ned J. Hardman; Xinggao Fang; Brian L. Scott; Robert J. Wright; Richard L. Martin; Gregory J. Kubas","High-Spin Diimine Complexes of Iron(II) Reject Binding of Carbon Monoxide: Theoretical Analysis of Thermodynamic Factors Inhibiting or Favoring Spin-Crossover","Inorganic Chemistry","2005","44","","8306","8316","10.1021/ic050966h","","","0.71073","MoKα","","0.0807","0.0709","","","0.2256","0.2343","","","","","","1.408","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309983","10.243","0.003","12.995","0.004","14.809","0.005","90","","97.15","0.007","90","","1955.9","1.1","203","2","203","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Fe(SbF6)(u-Cl)(N2O2)]2","","","- C24 H48 Cl2 F12 Fe2 N4 O4 Sb2 -","- C24 H48 Cl2 F12 Fe2 N4 O4 Sb2 -","- C48 H96 Cl4 F24 Fe4 N8 O8 Sb4 -","2","0.5","","Ned J. Hardman; Xinggao Fang; Brian L. Scott; Robert J. Wright; Richard L. Martin; Gregory J. Kubas","High-Spin Diimine Complexes of Iron(II) Reject Binding of Carbon Monoxide: Theoretical Analysis of Thermodynamic Factors Inhibiting or Favoring Spin-Crossover","Inorganic Chemistry","2005","44","","8306","8316","10.1021/ic050966h","","","0.71073","MoKα","","0.1236","0.0836","","","0.1319","0.1434","","","","","","1.159","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309984","24.883","0.003","15.9623","0.0018","17.93","0.002","90","","90","","90","","7121.6","1.4","295","2","295","2","","","","","","","","8","P n a 21","P 2c -2n","33","","[(PCP-C=CHPh)Ru(CO)][BAr'4]","","- C66 H63 B Cl2 F24 O P2 Ru -","- C65 H61 B F24 O P2 Ru -","- C260 H244 B4 F96 O4 P8 Ru4 -","4","1","","Jubo Zhang; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Paul D. Boyle; Jeffrey L. Petersen; Cynthia S. Day","Synthesis of the Five-Coordinate Ruthenium(II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4= 3,5-(CF3)2C6H3, L = η1-ClCH2Cl, η1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene","Inorganic Chemistry","2005","44","","8379","8390","10.1021/ic051074k","","","0.71073","MoKα","","0.1081","0.0676","","","0.1591","0.1806","","","","","","0.929","","","","has coordinates,has disorder","179137","2020-10-21","18:00:00",""
"4309985","12.97","0.004","27.644","0.007","29.174","0.008","90","","96.932","0.005","90","","10384","5","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[{(PCP)Ru(CO)}2(mu-Cl)][BAr'4]","","- C93 H124 B Cl3 F24 O2 P4 Ru2 -","- C93 H98 B Cl3 F24 O2 P4 Ru2 -","- C372 H392 B4 Cl12 F96 O8 P16 Ru8 -","4","1","","Jubo Zhang; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Paul D. Boyle; Jeffrey L. Petersen; Cynthia S. Day","Synthesis of the Five-Coordinate Ruthenium(II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4= 3,5-(CF3)2C6H3, L = η1-ClCH2Cl, η1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene","Inorganic Chemistry","2005","44","","8379","8390","10.1021/ic051074k","","","0.71073","MoKα","","0.2109","0.0663","","","0.1136","0.1389","","","","","","0.699","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309986","12.7936","0.0008","15.129","0.001","18.1187","0.0011","73.841","0.001","79.979","0.001","89.871","0.001","3313.1","0.4","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","[(PCP-CHPh)Ru(CO)][BAr'4]","","- C64 H61 B F24 O P2 Ru -","- C64 H61 B F24 O P2 Ru -","- C128 H122 B2 F48 O2 P4 Ru2 -","2","1","","Jubo Zhang; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Paul D. Boyle; Jeffrey L. Petersen; Cynthia S. Day","Synthesis of the Five-Coordinate Ruthenium(II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4= 3,5-(CF3)2C6H3, L = η1-ClCH2Cl, η1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene","Inorganic Chemistry","2005","44","","8379","8390","10.1021/ic051074k","","","0.71073","MoKα","","0.0817","0.0624","","","0.1642","0.1814","","","","","","1.023","","","","has coordinates,has disorder","179137","2020-10-21","18:00:00",""
"4309987","24.704","0.002","31.015","0.003","26.032","0.002","90","","100.13","0.02","90","","19635","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H94 Cl4 N20 Ni9 O50 -","- C60 H74 Cl4 N20 Ni9 O50 -","- C480 H592 Cl32 N160 Ni72 O400 -","8","1","","Sumit Khanra; Thomas Weyhermüller; Eva Rentschler; Phalguni Chaudhuri","Self-Assembly of a Nonanuclear Nickel(II) Complex and Its Magnetic Properties","Inorganic Chemistry","2005","44","","8176","8178","10.1021/ic0510821","","","0.71073","MoKα","","0.0926","0.0717","","","0.1593","0.1703","","","","","","1.111","","","","has coordinates,has disorder","179137","2020-10-21","18:00:00",""
"4309988","7.1","0.007","10.183","0.011","12.694","0.013","88.28","0.03","87.04","0.03","84.64","0.02","912.2","1.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","(Pentamethylcyclopentadienyl)(pyridine-1-methylimino- 2-thiolato)iridium(III) Iodide","","- C16 H22 I Ir N2 S -","- C16 H22 I Ir N2 S -","- C32 H44 I2 Ir2 N4 S2 -","2","1","","Yusuke Sekioka; Sumio Kaizaki; James M. Mayer; Takayoshi Suzuki","Structure and Reactivity of a Pyridine-1-imido-2-thiolato Complex of Iridium(III), Cp*Ir(1-N-2-Spy), Generated by Photolysis of the (Azido)(pyridine-2-thiolato) Complex, Cp*Ir(2-Spy)(N3)","Inorganic Chemistry","2005","44","","8173","8175","10.1021/ic051097z","","","0.7107","MoKα","","0.033","0.0308","","","0.0732","0.0752","","","","","","1.153","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309989","13.087","0.008","8.418","0.004","13.617","0.007","90","","99.12","0.05","90","","1481.2","1.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Pentamethylcyclopentadienyl)(pyridine-1-imido- 2-thiolato)iridium(III)","","- C15 H19 Ir N2 S -","- C15 H19 Ir N2 S -","- C60 H76 Ir4 N8 S4 -","4","1","","Yusuke Sekioka; Sumio Kaizaki; James M. Mayer; Takayoshi Suzuki","Structure and Reactivity of a Pyridine-1-imido-2-thiolato Complex of Iridium(III), Cp*Ir(1-N-2-Spy), Generated by Photolysis of the (Azido)(pyridine-2-thiolato) Complex, Cp*Ir(2-Spy)(N3)","Inorganic Chemistry","2005","44","","8173","8175","10.1021/ic051097z","","","0.71075","MoKα","","0.0706","0.0554","","","0.1403","0.1446","","","","","","1.186","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309990","5.8862","0.0001","12.0606","0.0003","14.9082","0.0004","112.33","0.001","90.565","0.001","90.445","0.001","978.86","0.04","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H30 N2 S3 -","- C18 H30 N2 S3 -","- C36 H60 N4 S6 -","2","1","","John W. Sibert; Philip B. Forshee; Vincent Lynch","Wurster's Thiacrown Ethers: Synthesis, Properties, and Pt(II)-Coordination Chemistry","Inorganic Chemistry","2005","44","","8602","8609","10.1021/ic051125d","","","0.71073","MoKα","","0.0909","0.0416","","","0.0864","0.1018","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309991","8.385","0.0003","11.851","0.0004","19.925","0.0007","90.188","0.002","101.374","0.0017","90.847","0.002","1940.82","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H30 N2 S3 -","- C18 H30 N2 S3 -","- C72 H120 N8 S12 -","4","2","","John W. Sibert; Philip B. Forshee; Vincent Lynch","Wurster's Thiacrown Ethers: Synthesis, Properties, and Pt(II)-Coordination Chemistry","Inorganic Chemistry","2005","44","","8602","8609","10.1021/ic051125d","","","0.71073","MoKα","","0.0769","0.0704","","","0.174","0.1772","","","","","","1.378","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309992","22.2663","0.0002","33.2258","0.0002","15.2499","0.0001","90","","90","","90","","11282.1","0.14","153","2","153","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C18.5 H31.5 F12 N2.5 O P2 Pt S3 -","- C18.5 H31.5 F12 N2.5 O P2 Pt S3 -","- C296 H504 F192 N40 O16 P32 Pt16 S48 -","16","2","","John W. Sibert; Philip B. Forshee; Vincent Lynch","Wurster's Thiacrown Ethers: Synthesis, Properties, and Pt(II)-Coordination Chemistry","Inorganic Chemistry","2005","44","","8602","8609","10.1021/ic051125d","","","0.71073","MoKα","","0.0738","0.0472","","","0.1132","0.1203","","","","","","1.398","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309993","12.971","0.003","18.364","0.004","23.397","0.005","90","","105.347","0.004","90","","5374","2","213","2","213","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C107.5 H91 Cl7 F12 N4 O10 P4 Rh4 -","- C107.5 H83 Cl7 F12 N4 O10 P4 Rh4 -","- C215 H166 Cl14 F24 N8 O20 P8 Rh8 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Rongmin Yu","Chiral Supramolecules: Organometallic Molecular Loops Made from Enantiopure R-[cis-Rh2(C6H4PPh2)2(CH3CN)6](BF4)2","Inorganic Chemistry","2005","44","","8211","8215","10.1021/ic051149k","","","0.71073","MoKα","","0.0692","0.0549","","","0.1381","0.1487","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309994","15.645","0.014","17.639","0.016","19.208","0.018","90","","99.304","0.016","90","","5231","8","213","2","213","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C104 H87 Cl6 F8 N4 O9.5 P4 Rh4 -","- C104 H76 Cl6 F8 N4 O9.5 P4 Rh4 -","- C208 H152 Cl12 F16 N8 O19 P8 Rh8 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Rongmin Yu","Chiral Supramolecules: Organometallic Molecular Loops Made from Enantiopure R-[cis-Rh2(C6H4PPh2)2(CH3CN)6](BF4)2","Inorganic Chemistry","2005","44","","8211","8215","10.1021/ic051149k","","","0.71073","MoKα","","0.0933","0.0603","","","0.1615","0.1899","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309995","13.487","0.007","8.331","0.004","7.827","0.004","90","","90","","90","","879.4","0.8","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B Cu0.5 H3 O6 P -","- B Cu0.5 H3 O6 P -","- B8 Cu4 H24 O48 P8 -","8","1","","Hengzhen Shi; Min Li; Hejin Tangbo; Aiguo Kong; Bo Chen; Yongkui Shan","A Novel Open-Framework Copper Borophosphate: Cu(H2O)2[B2P2O8(OH)2]","Inorganic Chemistry","2005","44","","8179","8181","10.1021/ic0511773","","","0.7107","MoKα","","0.0222","0.022","","","0.0538","0.0539","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309996","14.2016","0.0014","22.179","0.002","17.2955","0.0018","90","","91.739","0.004","90","","5445.2","0.9","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H49 Ag F18 N5 P3 Pt2 S6 -","- C40 H49 Ag F18 N5 P3 Pt2 S6 -","- C160 H196 Ag4 F72 N20 P12 Pt8 S24 -","4","1","","Daron E. Janzen; Larry F. Mehne; Donald G. VanDerveer; Gregory J. Grant","Cationic Five-Coordinate PtII Complexes as Donors in the Formation of Pt\ρightarrowAg Dative Bonds","Inorganic Chemistry","2005","44","","8182","8184","10.1021/ic0511874","","","0.71073","MoKα","","0.0559","0.0475","","","0.1137","0.1182","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309997","11.944","0.002","12.122","0.002","28.012","0.006","90","","90","","90","","4055.7","1.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H20 F6 N P Pt S3 -","- C17 H20 F6 N P Pt S3 -","- C136 H160 F48 N8 P8 Pt8 S24 -","8","1","","Daron E. Janzen; Larry F. Mehne; Donald G. VanDerveer; Gregory J. Grant","Cationic Five-Coordinate PtII Complexes as Donors in the Formation of Pt\ρightarrowAg Dative Bonds","Inorganic Chemistry","2005","44","","8182","8184","10.1021/ic0511874","","","0.71073","MoKα","","0.047","0.0422","","","0.0803","0.0819","","","","","","1.215","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309998","13.528","0.002","15.278","0.003","19.181","0.003","98.811","0.003","96.488","0.003","92.197","0.003","3886.2","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(PPN)Ru(DPPB-O2)2(DPPBT)","(PPN)Ru(DPPB-O2)2(DPPBT)","","- C90 H72 N O4 P5 Ru S3 -","- C90 H72 N O4 P5 Ru S3 -","- C180 H144 N2 O8 P10 Ru2 S6 -","2","1","","Craig A. Grapperhaus; Selma Poturovic; Mark S. Mashuta","Oxygenation of a Ruthenium(II) Thiolate to a Ruthenium(II) Sulfinate Proceeds via Ruthenium(III)","Inorganic Chemistry","2005","44","","8185","8187","10.1021/ic051211d","","","0.71073","MoKα","","0.097","0.075","","","0.139","0.146","","","","","","1.07","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309999","18.374","0.003","12.436","0.002","40.497","0.006","90","","99.995","0.003","90","","9113","2","100","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ru(DPPB-O2)2(DPPBT)","Ru(DPPB-O2)2(DPPBT)","","- C54 H42 O3 P3 Ru S3 -","- C54 H42 O3 P3 Ru S3 -","- C432 H336 O24 P24 Ru8 S24 -","8","1","","Craig A. Grapperhaus; Selma Poturovic; Mark S. Mashuta","Oxygenation of a Ruthenium(II) Thiolate to a Ruthenium(II) Sulfinate Proceeds via Ruthenium(III)","Inorganic Chemistry","2005","44","","8185","8187","10.1021/ic051211d","","","0.71073","MoKα","","0.096","0.069","","","0.107","0.128","","","","","","1.07","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4310000","8.9547","0.0002","14.4471","0.0003","15.0142","0.0004","90","","94.5104","0.0009","90","","1936.36","0.08","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","?","5","P 1 21/n 1","-P 2yn","14","","Ti2(NNMe2)2Cl4(NHMe2)2","","- C8 H26 Cl4 N6 Ti2 -","- C8 H26 Cl4 N6 Ti2 -","- C32 H104 Cl16 N24 Ti8 -","4","1","","Thomas B. Parsons; Nilay Hazari; Andrew R. Cowley; Jennifer C. Green; Philip Mountford","Synthesis, Structures, and DFT Bonding Analysis of New Titanium Hydrazido(2-) Complexes","Inorganic Chemistry","2005","44","","8442","8458","10.1021/ic051271j","","","0.71073","MoKα","","0.053","0.031","","0.0518","0.0357","0.0357","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310001","10.5306","0.0002","17.0858","0.0003","17.911","0.0003","90","","103.62","0.0007","90","","3131.98","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Ti2((NN(CH2)5)2Cl4(NHMe2)3","","- C22 H47 Cl4 N7 Ti2 -","- C22 H47 Cl4 N7 Ti2 -","- C88 H188 Cl16 N28 Ti8 -","4","1","","Thomas B. Parsons; Nilay Hazari; Andrew R. Cowley; Jennifer C. Green; Philip Mountford","Synthesis, Structures, and DFT Bonding Analysis of New Titanium Hydrazido(2-) Complexes","Inorganic Chemistry","2005","44","","8442","8458","10.1021/ic051271j","","","0.71073","MoKα","","0.07","0.0329","","0.0577","0.0369","0.0369","","","","","","1.0822","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310002","15.2735","0.0004","9.9708","0.0003","14.6349","0.0004","90","","90.6119","0.0013","90","","2228.61","0.11","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Ti2(NNMe2)2Cl4(py)2","","- C14 H22 Cl4 N6 Ti2 -","- C14 H22 Cl4 N6 Ti2 -","- C56 H88 Cl16 N24 Ti8 -","4","0.5","","Thomas B. Parsons; Nilay Hazari; Andrew R. Cowley; Jennifer C. Green; Philip Mountford","Synthesis, Structures, and DFT Bonding Analysis of New Titanium Hydrazido(2-) Complexes","Inorganic Chemistry","2005","44","","8442","8458","10.1021/ic051271j","","","0.71073","MoKα","","0.0719","0.0581","","0.0512","0.0484","0.0484","","","","","","0.9954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310003","9.6913","0.0002","13.979","0.0003","14.1852","0.0003","80.3636","0.0009","88.1593","0.0009","86.2151","0.0011","1890.05","0.07","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","?","5","P -1","-P 1","2","","Ti(NNPh2)Cl2{(HC(Me2pz)3}","","- C40 H44 Cl2 N8 Ti -","- C40 H44 Cl2 N8 Ti -","- C80 H88 Cl4 N16 Ti2 -","2","1","","Thomas B. Parsons; Nilay Hazari; Andrew R. Cowley; Jennifer C. Green; Philip Mountford","Synthesis, Structures, and DFT Bonding Analysis of New Titanium Hydrazido(2-) Complexes","Inorganic Chemistry","2005","44","","8442","8458","10.1021/ic051271j","","","0.71073","MoKα","","0.0782","0.039","","0.0722","0.0452","0.0452","","","","","","1.0999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310004","21.651","0.004","21.922","0.004","22.055","0.004","82.113","0.003","61.153","0.003","64.889","0.003","8272","3","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C159.25 H162 Cl6.5 N3 O25.25 P6 Rh6 -","- C159.25 H126.5 Cl6.5 N3 O25.25 P6 Rh6 -","- C318.5 H253 Cl13 N6 O50.5 P12 Rh12 -","2","2","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.1633","0.0873","","","0.2195","0.2786","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310005","10.667","0.003","15.152","0.004","25.053","0.006","90","","90","","90","","4049.2","1.8","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H42 O8 P2 Rh2 -","- C44 H42 O8 P2 Rh2 -","- C176 H168 O32 P8 Rh8 -","4","1","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0198","0.0184","","","0.0456","0.0466","","","","","","1.073","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310006","12.6777","0.0009","18.3677","0.0013","18.1451","0.0012","90","","94.648","0.001","90","","4211.4","0.5","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H42 O8 P2 Rh2 -","- C44 H42 O8 P2 Rh2 -","- C176 H168 O32 P8 Rh8 -","4","2","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0345","0.0278","","","0.0601","0.0629","","","","","","1.022","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310007","22.366","0.003","21.519","0.003","36.118","0.004","90","","91.152","0.002","90","","17380","4","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C170.75 H149.5 Cl14.5 N6 O15 P6 Rh6 -","- C170.75 H140.5 Cl14.5005 N6 O15 P6 Rh6 -","- C683 H562 Cl58.002 N24 O60 P24 Rh24 -","4","2","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.1221","0.1168","","","0.2869","0.2902","","","","","","1.149","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310008","15.2104","0.0013","27.015","0.002","16.9695","0.0015","90","","113.032","0.001","90","","6417.1","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C142 H115 Cl6 N5 O12 P6 Rh6 -","- C142 H115 Cl6 N5 O12 P6 Rh6 -","- C284 H230 Cl12 N10 O24 P12 Rh12 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0375","0.0335","","","0.0826","0.0857","","","","","","1.055","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310009","15.259","0.002","27.059","0.004","17.021","0.002","90","","112.984","0.002","90","","6469.9","1.5","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C142 H115 Cl6 N5 O12 P6 Rh6 -","- C142 H115 Cl6 N5 O12 P6 Rh6 -","- C284 H230 Cl12 N10 O24 P12 Rh12 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0406","0.0344","","","0.0838","0.0885","","","","","","1.085","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310010","24.069","0.002","36.637","0.003","22.2568","0.0019","90","","90","","90","","19626","3","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C184 H170 Cl14 N4 O19 P6 Rh6 -","- C184 H128 Cl14 N4 O19 P6 Rh6 -","- C736 H512 Cl56 N16 O76 P24 Rh24 -","4","0.5","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0819","0.0611","","","0.1567","0.1758","","","","","","1.101","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310011","11.18","0.008","27.89","0.02","19.279","0.014","90","","101.939","0.014","90","","5881","7","","","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C123.5 H123 Cl O22 P6 Rh6 -","- C123.5 H112 Cl O22 P6 Rh6 -","- C247 H224 Cl2 O44 P12 Rh12 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0927","0.0556","","","0.0962","0.1084","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310012","16.139","0.003","22.787","0.004","24.622","0.004","81.053","0.003","75.193","0.003","81.43","0.003","8591","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C156 H160.5 Cl9 N1.5 O24 P6 Rh6 -","- C156 H126 Cl9 N1.5 O24 P6 Rh6 -","- C312 H252 Cl18 N3 O48 P12 Rh12 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.1133","0.0757","","","0.213","0.2554","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310013","13.4","0.0005","53.8819","0.0019","18.2036","0.0006","90","","90.048","0.001","90","","13143.3","0.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","{S,S,S-[Rh6(Ph2P(C6H4))6(C2O4)3Py5MeOH]} {S,S,S-[Rh6(Ph2P(C6H4))6(C2O4)3Py4.5MeOH1.5]}, 4(CH2Cl2),3.0MeOH","","","- C285 H245.5 Cl8 N9.5 O29.5 P12 Rh12 -","- C285 H239 Cl8 N9.5 O29.5 P12 Rh12 -","- C570 H478 Cl16 N19 O59 P24 Rh24 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0496","0.0425","","","0.0927","0.0972","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310014","14.352","0.0002","15.556","0.0004","16.992","0.0004","105.077","0.0012","114.346","0.0011","92.126","0.0015","3292.07","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H57 N O6 Ti -","- C30 H57 N O6 Ti -","- C120 H228 N4 O24 Ti4 -","4","2","","Stanislav Groysman; Ekaterina Sergeeva; Israel Goldberg; Moshe Kol","Group IV Complexes of a Tetradentate Amine Mono(phenolate) Ligand: a Second Side-Arm Donor Stabilizes Cationic Species","Inorganic Chemistry","2005","44","","8188","8190","10.1021/ic051400w","","","0.71073","MoKα","","0.0607","0.0441","","","0.1115","0.1237","","","","","","0.993","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310015","27.186","0.0019","13.295","0.001","20.779","0.0015","90","","90.692","0.005","90","","7509.8","0.9","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H63 N O6 Zr -","- C33 H63 N O6 Zr -","- C264 H504 N8 O48 Zr8 -","8","1","","Stanislav Groysman; Ekaterina Sergeeva; Israel Goldberg; Moshe Kol","Group IV Complexes of a Tetradentate Amine Mono(phenolate) Ligand: a Second Side-Arm Donor Stabilizes Cationic Species","Inorganic Chemistry","2005","44","","8188","8190","10.1021/ic051400w","","","0.71073","MoKα","","0.0776","0.0466","","","0.1064","0.1213","","","","","","1.006","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310016","19.979","0.0005","10.977","0.0004","26.833","0.0007","90","","109.905","0.002","90","","5533.2","0.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H54 B F20 N O5 Zr -","- C53 H54 B F20 N O5 Zr -","- C212 H216 B4 F80 N4 O20 Zr4 -","4","1","","Stanislav Groysman; Ekaterina Sergeeva; Israel Goldberg; Moshe Kol","Group IV Complexes of a Tetradentate Amine Mono(phenolate) Ligand: a Second Side-Arm Donor Stabilizes Cationic Species","Inorganic Chemistry","2005","44","","8188","8190","10.1021/ic051400w","","","0.71073","MoKα","","0.1164","0.0592","","","0.1447","0.1733","","","","","","0.975","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310017","17.2543","0.0003","17.8334","0.0004","19.3734","0.0004","68.436","0.001","66.744","0.001","82.978","0.001","5091.73","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H88 Cl4 Cr0.67 N10 Ni2 O12 -","- C75 H132 Cl6 Cr N15 Ni3 O18 -","- C150 H264 Cl12 Cr2 N30 Ni6 O36 -","2","1","","Jean-Noël Rebilly; Laure Catala; Eric Rivière; Régis Guillot; Wolfgang Wernsdorfer; Talal Mallah","A Tetranuclear CrIIINiII3 Cyano-Bridged Complex Based on M(tacn) Derivative Building Blocks","Inorganic Chemistry","2005","44","","8194","8196","10.1021/ic0514391","","","0.71073","MoKα","","0.0911","0.0574","","","0.1545","0.1847","","","","","","1.016","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310018","19.426","0.002","18.163","0.003","21.435","0.004","90","","90","","90","","7563","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(triethylsulfonium) hexaiodoneodymate","Tris(triethylsulfonium) hexaiodoneodymate","","- C18.2 H30 I6 Nd S3 -","- C18 I6 Nd S3 -","- C144 I48 Nd8 S24 -","8","1","","Arash Babai; Anja-Verena Mudring","Rare-Earth Iodides in Ionic Liquids: The Crystal Structure of [SEt3]3[LnI6] (Ln = Nd, Sm)","Inorganic Chemistry","2005","44","","8168","8169","10.1021/ic051533h","","","0.71073","MoKα","","0.4693","0.0926","","","0.1589","0.3147","","","","","","0.572","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310019","19.3679","0.001","18.0707","0.0007","21.1647","0.0008","90","","90","","90","","7407.5","0.6","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(triethylsulfonium) hexaiodosamarate","Tris(triethylsulfonium) hexaiodosamarate","","- C18.2 H30 I6 S3 Sm -","- C18 H45 I6 S3 Sm -","- C144 H360 I48 S24 Sm8 -","8","1","","Arash Babai; Anja-Verena Mudring","Rare-Earth Iodides in Ionic Liquids: The Crystal Structure of [SEt3]3[LnI6] (Ln = Nd, Sm)","Inorganic Chemistry","2005","44","","8168","8169","10.1021/ic051533h","","","0.71073","MoKα","","0.0906","0.0511","","","0.0765","0.0842","","","","","","0.946","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310020","19.0415","0.0003","19.0415","0.0003","19.0415","0.0003","90","","90","","90","","6904.04","0.19","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C54 H102 Cr Li3 O6 Si6 -","- C54 H102 Cr Li3 O6 Si6 -","- C216 H408 Cr4 Li12 O24 Si24 -","4","0.166667","","Louise A. Berben; Jeffrey R. Long","Homoleptic Trimethylsilylacetylide Complexes of Chromium(III), Iron(II), and Cobalt(III): Syntheses, Structures, and Ligand Field Parameters","Inorganic Chemistry","2005","44","","8459","8468","10.1021/ic051551z","","","0.71073","MoKα","","0.0537","0.0374","","0.1123","0.1046","","","","1.047","1.139","1.139","","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310021","21.577","0.014","20.956","0.014","20.607","0.01","90","","103.26","0.08","90","","9069","10","293","2","293","2","","","","","","","synthetic","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H130 Fe Li8 O4 Si10 -","- C66 H130 Fe Li8 O4 Si10 -","- C264 H520 Fe4 Li32 O16 Si40 -","4","1","","Louise A. Berben; Jeffrey R. Long","Homoleptic Trimethylsilylacetylide Complexes of Chromium(III), Iron(II), and Cobalt(III): Syntheses, Structures, and Ligand Field Parameters","Inorganic Chemistry","2005","44","","8459","8468","10.1021/ic051551z","","","0.71073","MoKα","","0.1521","0.065","","0.1882","0.1407","","","","0.986","1.069","1.069","","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310022","18.8534","0.0013","18.8534","0.0013","18.8534","0.0013","90","","90","","90","","6701.5","0.8","293","2","293","2","","","","","","","synthetic","6","P a -3","-P 2ac 2ab 3","205","","","","- C42 H84 Co Li3 O3 Si6 -","- C36 H68 Co0.666667 Li2 O4 Si4 -","- C216 H408 Co4 Li12 O24 Si24 -","6","0.25","","Louise A. Berben; Jeffrey R. Long","Homoleptic Trimethylsilylacetylide Complexes of Chromium(III), Iron(II), and Cobalt(III): Syntheses, Structures, and Ligand Field Parameters","Inorganic Chemistry","2005","44","","8459","8468","10.1021/ic051551z","","","0.71073","MoKα","","0.094","0.0542","","0.1609","0.1354","","","","1.043","1.081","1.081","","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310023","14.258","0.005","17.936","0.006","22.374","0.008","90","","95.467","0.012","90","","5696","3","293","2","133","","","","","","","","synthetic","6","P 1 n 1","P -2yac","7","","","","- C76 H148 Cr2 Li14 O12 Si12 -","- C76 H128 Cr2 Li14 O12 Si12 -","- C152 H256 Cr4 Li28 O24 Si24 -","2","1","","Louise A. Berben; Jeffrey R. Long","Homoleptic Trimethylsilylacetylide Complexes of Chromium(III), Iron(II), and Cobalt(III): Syntheses, Structures, and Ligand Field Parameters","Inorganic Chemistry","2005","44","","8459","8468","10.1021/ic051551z","","","0.71073","MoKα","","0.082","0.0508","","0.1494","0.1344","","","","0.963","1.072","1.072","","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310024","13.2891","0.0014","23.511","0.002","13.6985","0.0014","90","","117.047","0.002","90","","3811.9","0.7","293","2","293","2","","","","","","","synthetic","8","P 1 21 1","P 2yb","4","","","","- C60 H110 Co F3 Li4 O11 S Si5 -","- C61 H110 Co F3 Li4 O11 S Si5 -","- C122 H220 Co2 F6 Li8 O22 S2 Si10 -","2","1","","Louise A. Berben; Jeffrey R. Long","Homoleptic Trimethylsilylacetylide Complexes of Chromium(III), Iron(II), and Cobalt(III): Syntheses, Structures, and Ligand Field Parameters","Inorganic Chemistry","2005","44","","8459","8468","10.1021/ic051551z","","","0.71073","MoKα","","0.0793","0.0537","","0.1279","0.1155","","","","1.026","1.057","1.057","","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310025","10.2649","0.0006","14.924","0.001","6.6971","0.0003","90","","111.818","0.002","90","","952.46","0.1","200.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","KHAP","potassium salt of 1,3,4,6,7,9-Hexaazaphenalenyl anion","","- C7 H7 K N6 O2 -","- C7 H7 K N6 O2 -","- C28 H28 K4 N24 O8 -","4","0.5","","Shuichi Suzuki; Yasushi Morita; Kozo Fukui; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Kazuhiro Nakasuji","Hexaazaphenalenyl Anion Revisited: A Highly Symmetric Planar π System with Multiple-Networking Ability for Self-Assembled Metal Complexation","Inorganic Chemistry","2005","44","","8197","8199","10.1021/ic051583m","","","0.7107","MoKα","","","0.0413","","","0.1187","","","","","","","1.166","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310026","6.818","0.001","16.535","0.003","15.868","0.003","90","","90","","90","","1788.9","0.5","150.2","","","","","","","","","","","4","C m c e","-C 2ac 2","64","Cu-(NH3)4-HAP2","copper complex of 1,3,4,6,7,9-Hexaazaphenalenyl anion","","- C14 H18 Cu N16 -","- C14 H18 Cu N16 -","- C56 H72 Cu4 N64 -","4","0.25","","Shuichi Suzuki; Yasushi Morita; Kozo Fukui; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Kazuhiro Nakasuji","Hexaazaphenalenyl Anion Revisited: A Highly Symmetric Planar π System with Multiple-Networking Ability for Self-Assembled Metal Complexation","Inorganic Chemistry","2005","44","","8197","8199","10.1021/ic051583m","","","0.7107","MoKα","","","0.0355","","","","0.0951","","","","","","1.18","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4310030","5.54077","","5.54077","","23.64884","","90","","90","","90","","726.023","","","","","","","","","","","","","1","I b a m","-I 2 2c","72","","","","- Fe -","- Fe -","- Fe12 -","12","0.75","","Pavel Karen; Emmanuelle Suard; François Fauth","Crystal Structure of Stoichiometric YBa2Fe3O8","Inorganic Chemistry","2005","44","","8170","8172","10.1021/ic048746b","powder diffraction","","","","","","","","","","","","","1.92","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4310031","13.435","0.0004","13.5298","0.0004","17.9662","0.0005","98.7273","0.0011","106.331","0.001","94.8176","0.0011","3069.99","0.16","110","","110","","","","","","","","","8","P -1","-P 1","2","","[(PCP)Ru(CO)(ClCH2Cl)][BAr'4]","","- C58 H57 B Cl2 F24 O P2 Ru -","- C58 H57 B Cl2 F24 O P2 Ru -","- C116 H114 B2 Cl4 F48 O2 P4 Ru2 -","2","1","","Jubo Zhang; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Paul D. Boyle; Jeffrey L. Petersen; Cynthia S. Day","Synthesis of the Five-Coordinate Ruthenium(II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4= 3,5-(CF3)2C6H3, L = η1-ClCH2Cl, η1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene","Inorganic Chemistry","2005","44","","8379","8390","10.1021/ic051074k","","","0.71073","MolybdenumKα","","0.059","0.049","","0.069","0.06","","","","","1.84","1.84","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310032","12.3183","0.0006","12.686","0.0006","22.7533","0.0012","102.535","0.003","94.787","0.003","91.77","0.003","3454.4","0.3","110","","110","","","","","","","","","8","P -1","-P 1","2","","[(PCP)Ru(CO)(N2)][BAr'4]","","- C66 H62.5 B F25.5 N2 O P2 Ru -","- C66 H62.5 B F25.5 N2 O P2 Ru -","- C132 H125 B2 F51 N4 O2 P4 Ru2 -","2","1","","Jubo Zhang; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Paul D. Boyle; Jeffrey L. Petersen; Cynthia S. Day","Synthesis of the Five-Coordinate Ruthenium(II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4= 3,5-(CF3)2C6H3, L = η1-ClCH2Cl, η1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene","Inorganic Chemistry","2005","44","","8379","8390","10.1021/ic051074k","","","0.71073","MolybdenumKα","","0.068","0.051","","0.064","0.058","","","","","1.92","1.92","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310033","9.3357","0.0012","8.3429","0.0015","3.603","0.0007","90","","90","","104.291","0.012","271.94","0.08","","","","","","","","","","","","3","I 1 1 2/m","-I 2","12","","","","- Cu D5 Zr2 -","- Cu D4.712 Zr2 -","- Cu4 D18.848 Zr8 -","4","0.5","","Yaroslav E. Filinchuk; Klaus Yvon","Deuterium-Induced Copper Pairing in Zr2CuD~5","Inorganic Chemistry","2005","44","","8191","8193","10.1021/ic0514039","powder diffraction","neutron","1.49381","ConstantWavelengthNeutronDiffraction","","","","","","","","","1.9049","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310034","9.3514","0.0012","8.3628","0.0018","3.5784","0.0006","90","","90","","104.301","0.013","271.17","0.08","","","","","","","","","","","","2","I 1 1 2/m","-I 2","12","","","","- Cu Zr2 -","- Cu Zr2 -","- Cu4 Zr8 -","4","0.5","","Yaroslav E. Filinchuk; Klaus Yvon","Deuterium-Induced Copper Pairing in Zr2CuD~5","Inorganic Chemistry","2005","44","","8191","8193","10.1021/ic0514039","powder diffraction","","","X-ray","","","","","","","","","3.9571","","","","","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310035","9.561","0.002","10.519","0.002","19.121","0.003","102.3","0.01","90.63","0.01","110.6","0.01","1751","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H56 N4 O3 Ti -","- C34 H56 N4 O3 Ti -","- C68 H112 N8 O6 Ti2 -","2","1","","Robert K. Thomson; Federico E. Zahariev; Zhe Zhang; Brian O. Patrick; Yan Alexander Wang; Laurel L. Schafer","Structure, Bonding, and Reactivity of Ti and Zr Amidate Complexes: DFT and X-Ray Crystallographic Studies","Inorganic Chemistry","2005","44","","8680","8689","10.1021/ic0502980","","","0.71073","MoKα","","0.1456","0.0888","","","0.2556","0.2753","","","","","","1.104","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310036","18.407","0.001","9.8394","0.0005","21.126","0.001","90","","114.821","0.002","90","","3472.8","0.3","173.2","","173.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N4 O2 Ti -","- C38 H48 N4 O2 Ti -","- C152 H192 N16 O8 Ti4 -","4","1","","Robert K. Thomson; Federico E. Zahariev; Zhe Zhang; Brian O. Patrick; Yan Alexander Wang; Laurel L. Schafer","Structure, Bonding, and Reactivity of Ti and Zr Amidate Complexes: DFT and X-Ray Crystallographic Studies","Inorganic Chemistry","2005","44","","8680","8689","10.1021/ic0502980","","","0.7107","MoKα","","0.063","0.037","","0.1234","","0.1234","","","1.104","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310037","18.213","0.005","19.037","0.005","29.159","0.005","90","","90","","90","","10110","4","293","","293","","","","","","","","?","5","I m m m","-I 2 2","71","","","","- C80 H82 Mn4 O9 S8 -","- C80 H80.75 Mn4 O9 S8 -","- C320 H323 Mn16 O36 S32 -","4","0.25","","Cédric Desroches; Guillaume Pilet; Serguei A. Borshch; Stéphane Parola; Dominique Luneau","Tetranuclear Manganese(II) Complexes of Thiacalixarene Macrocycles with Trigonal Prismatic Six-Coordinate Geometries: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2005","44","","9112","9120","10.1021/ic050507g","","","0.71069","MoKα","","0.2283","0.0992","","0.1853","0.0962","0.0962","","","","","","1.0476","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310038","33.046","0.005","19.536","0.005","15.777","0.005","90","","115.176","0.005","90","","9218","4","293","","293","","","","","","","","?","5","C 1 2/m 1","-C 2y","12","","","","- C80 H80 Mn4 O16 S8 -","- C80 H83.5 Mn4 O17 S8 -","- C320 H334 Mn16 O68 S32 -","4","0.5","","Cédric Desroches; Guillaume Pilet; Serguei A. Borshch; Stéphane Parola; Dominique Luneau","Tetranuclear Manganese(II) Complexes of Thiacalixarene Macrocycles with Trigonal Prismatic Six-Coordinate Geometries: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2005","44","","9112","9120","10.1021/ic050507g","","","0.71069","MoKα","","0.3037","0.1044","","0.211","0.0994","0.0994","","","","","","1.1199","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310039","9.5591","0.0014","27.757","0.004","14.372","0.002","90","","100.484","0.002","90","","3749.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cl2 Cu N6 O8 -","- C36 H33 Cl2 Cu N6 O8 -","- C144 H132 Cl8 Cu4 N24 O32 -","4","1","","Shanta Dhar; Munirathinam Nethaji; Akhil R. Chakravarty","Steric Protection of a Photosensitizer in a N,N-Bis[2-(2-pyridyl)ethyl]-2-phenylethylamine-copper(II) Bowl that Enhances Red Light-Induced DNA Cleavage Activity","Inorganic Chemistry","2005","44","","8876","8883","10.1021/ic0505246","","","0.71073","MoKα","","0.0663","0.0559","","","0.1517","0.1608","","","","","","1.037","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310040","9.023","0.0018","10.277","0.002","14.641","0.003","90.361","0.003","91.097","0.003","111.863","0.002","1259.6","0.4","220","2","220","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 B Cl3 N6 S3 Zn -","- C16 H24 B Cl3 N6 S3 Zn -","- C32 H48 B2 Cl6 N12 S6 Zn2 -","2","1","","Philip J. Bailey; Alice Dawson; Chiara McCormack; Stephen A. Moggach; Iain D. H. Oswald; Simon Parsons; David W. H. Rankin; Andrew Turner","Barriers to Racemization in C3-Symmetric Complexes Containing the Hydrotris(2-mercapto-1-ethylimidazolyl)borate (TmEt) Ligand","Inorganic Chemistry","2005","44","","8884","8898","10.1021/ic0505293","","","0.71073","MoKα","","0.043","0.037","","","0.0938","0.0968","","","","","","1.057","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310041","9.6512","0.0003","9.8621","0.0003","14.5689","0.0005","105.337","0.002","92.14","0.002","93.245","0.002","1333.18","0.08","150","","150","","","","","","","","?","8","P -1","-P 1","2","","","","- C19 H30 B Br Cd N6 O S3 -","- C19 H30 B Br Cd N6 O S3 -","- C38 H60 B2 Br2 Cd2 N12 O2 S6 -","2","1","","Philip J. Bailey; Alice Dawson; Chiara McCormack; Stephen A. Moggach; Iain D. H. Oswald; Simon Parsons; David W. H. Rankin; Andrew Turner","Barriers to Racemization in C3-Symmetric Complexes Containing the Hydrotris(2-mercapto-1-ethylimidazolyl)borate (TmEt) Ligand","Inorganic Chemistry","2005","44","","8884","8898","10.1021/ic0505293","","","0.71073","MoKα","","0.0295","0.0243","","0.033","0.031","0.033","","","","","","0.9987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310042","15.587","0.0016","15.587","0.0016","12.144","0.002","90","","90","","120","","2555.2","0.6","150","","150","","","","","","","","","7","R 3 :H","R 3","146","","","","- C33 H37 B Cu N6 P S3 -","- C33 H37 B Cu N6 P S3 -","- C99 H111 B3 Cu3 N18 P3 S9 -","3","0.333333","","Philip J. Bailey; Alice Dawson; Chiara McCormack; Stephen A. Moggach; Iain D. H. Oswald; Simon Parsons; David W. H. Rankin; Andrew Turner","Barriers to Racemization in C3-Symmetric Complexes Containing the Hydrotris(2-mercapto-1-ethylimidazolyl)borate (TmEt) Ligand","Inorganic Chemistry","2005","44","","8884","8898","10.1021/ic0505293","","","0.71073","MoKα","","0.0214","0.0213","","0.0504","0.0503","0.0504","","","","","","1.0175","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310043","10.2524","0.0014","12.0839","0.0016","24.863","0.003","90","","91.353","0.002","90","","3079.4","0.7","220","2","220","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 B Cl N6 O Ru S3 -","- C25 H38 B Cl N6 O Ru S3 -","- C100 H152 B4 Cl4 N24 O4 Ru4 S12 -","4","1","","Philip J. Bailey; Alice Dawson; Chiara McCormack; Stephen A. Moggach; Iain D. H. Oswald; Simon Parsons; David W. H. Rankin; Andrew Turner","Barriers to Racemization in C3-Symmetric Complexes Containing the Hydrotris(2-mercapto-1-ethylimidazolyl)borate (TmEt) Ligand","Inorganic Chemistry","2005","44","","8884","8898","10.1021/ic0505293","","","0.71073","MoKα","","0.0569","0.0425","","","0.09","0.0959","","","","","","1.035","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310044","13.5853","0.0017","13.1522","0.001","13.0116","0.0015","90","","112.213","0.013","90","","2152.3","0.4","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H19 Fe N7 S2 -","- C18 H19 Fe N7 S2 -","- C72 H76 Fe4 N28 S8 -","4","1","","Nicolas Bréfuel; Christine Lepetit; Sergiu Shova; Françoise Dahan; Jean-Pierre Tuchagues","Complexation to FeII, NiII, and ZnII of Multidentate Ligands Resulting from Condensation of 2-Pyridinecarboxaldehyde with α,ω-Triamines: Selective Imidazolidine/Hexahydropyrimidine Ring Opening Revisited","Inorganic Chemistry","2005","44","","8916","8928","10.1021/ic050791b","","","0.71073","MoKα","","0.0247","0.0244","","","0.0681","0.0683","","","","","","1.065","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310045","13.726","0.003","13.221","0.003","13.107","0.003","90","","112.32","0.03","90","","2200.3","1","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H19 N7 Ni S2 -","- C18 H19 N7 Ni S2 -","- C72 H76 N28 Ni4 S8 -","4","1","","Nicolas Bréfuel; Christine Lepetit; Sergiu Shova; Françoise Dahan; Jean-Pierre Tuchagues","Complexation to FeII, NiII, and ZnII of Multidentate Ligands Resulting from Condensation of 2-Pyridinecarboxaldehyde with α,ω-Triamines: Selective Imidazolidine/Hexahydropyrimidine Ring Opening Revisited","Inorganic Chemistry","2005","44","","8916","8928","10.1021/ic050791b","","","0.71073","MoKα","","0.0375","0.0343","","","0.0868","0.0883","","","","","","1.036","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310046","11.1512","0.0016","13.2683","0.0016","14.217","0.002","90","","92.834","0.012","90","","2100.9","0.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N7 Ni S2 -","- C19 H21 N7 Ni S2 -","- C76 H84 N28 Ni4 S8 -","4","1","","Nicolas Bréfuel; Christine Lepetit; Sergiu Shova; Françoise Dahan; Jean-Pierre Tuchagues","Complexation to FeII, NiII, and ZnII of Multidentate Ligands Resulting from Condensation of 2-Pyridinecarboxaldehyde with α,ω-Triamines: Selective Imidazolidine/Hexahydropyrimidine Ring Opening Revisited","Inorganic Chemistry","2005","44","","8916","8928","10.1021/ic050791b","","","0.7093","MoKα","","0.108","0.0496","","","0.0967","0.1173","","","","","","0.858","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310047","8.0178","0.0016","9.6784","0.0019","14.546","0.003","90","","101.21","0.03","90","","1107.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H23 N7 Ni S2 -","- C20 H23 N7 Ni S2 -","- C40 H46 N14 Ni2 S4 -","2","0.5","","Nicolas Bréfuel; Christine Lepetit; Sergiu Shova; Françoise Dahan; Jean-Pierre Tuchagues","Complexation to FeII, NiII, and ZnII of Multidentate Ligands Resulting from Condensation of 2-Pyridinecarboxaldehyde with α,ω-Triamines: Selective Imidazolidine/Hexahydropyrimidine Ring Opening Revisited","Inorganic Chemistry","2005","44","","8916","8928","10.1021/ic050791b","","","0.71073","MoKα","","0.1298","0.0783","","","0.1932","0.2243","","","","","","0.984","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310048","8.7588","0.0008","13.8619","0.0008","20.8629","0.0013","90","","99.136","0.006","90","","2500.9","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 N7 O2 S2 Zn -","- C20 H27 N7 O2 S2 Zn -","- C80 H108 N28 O8 S8 Zn4 -","4","1","","Nicolas Bréfuel; Christine Lepetit; Sergiu Shova; Françoise Dahan; Jean-Pierre Tuchagues","Complexation to FeII, NiII, and ZnII of Multidentate Ligands Resulting from Condensation of 2-Pyridinecarboxaldehyde with α,ω-Triamines: Selective Imidazolidine/Hexahydropyrimidine Ring Opening Revisited","Inorganic Chemistry","2005","44","","8916","8928","10.1021/ic050791b","","","0.71073","MoKα","","0.1001","0.0671","","","0.1781","0.1918","","","","","","1.086","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310049","8.0433","0.0009","9.5361","0.0007","14.4027","0.0015","90","","101.851","0.013","90","","1081.16","0.19","180","2","180","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H23 Fe N7 S2 -","- C20 H23 Fe N7 S2 -","- C40 H46 Fe2 N14 S4 -","2","0.5","","Nicolas Bréfuel; Christine Lepetit; Sergiu Shova; Françoise Dahan; Jean-Pierre Tuchagues","Complexation to FeII, NiII, and ZnII of Multidentate Ligands Resulting from Condensation of 2-Pyridinecarboxaldehyde with α,ω-Triamines: Selective Imidazolidine/Hexahydropyrimidine Ring Opening Revisited","Inorganic Chemistry","2005","44","","8916","8928","10.1021/ic050791b","","","0.71073","MoKα","","0.1039","0.0982","","","0.2162","0.2194","","","","","","1.137","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310050","22.239","0.001","19.041","0.001","19.538","0.001","90","","90","","90","","8273.4","0.7","293","2","293","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C74.5 H105 B2 Cl N2 O13 P4 Ru -","- C74.5 H105 B2 Cl N2 O13 P4 Ru -","- C298 H420 B8 Cl4 N8 O52 P16 Ru4 -","4","1","","Gabriele Albertin; Stefano Antoniutti; Alessia Bacchi; Fabiola De Marchi; Giancarlo Pelizzi","Tautomerization of Methyldiazene to Formaldehyde-Hydrazone in Ruthenium and Osmium Complexes","Inorganic Chemistry","2005","44","","8947","8954","10.1021/ic050817z","","","0.71069","MoKα","","0.0702","0.0465","","","0.1137","0.1216","","","","","","0.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310051","10.7618","0.0006","15.0238","0.0008","15.6648","0.0008","65.457","0.001","83.442","0.001","71.323","0.001","2182.1","0.2","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H66 Al2 Cl2 Cu4 Mo12 N8 O59 -","- C48 H58 Al2 Cl2 Cu4 Mo12 N8 O64 -","- C48 H58 Al2 Cl2 Cu4 Mo12 N8 O64 -","1","0.5","","Vaddypally Shivaiah; Samar K. Das","Polyoxometalate-Supported Transition Metal Complexes and Their Charge Complementarity: Synthesis and Characterization of [M(OH)6Mo6O18{Cu(Phen)(H2O)2}2][M(OH)6Mo6O18{Cu(Phen)(H2O) Cl}2].5H2O (M = Al3+, Cr3+)","Inorganic Chemistry","2005","44","","8846","8854","10.1021/ic050830j","","","0.71073","MoKα","","0.0298","0.0288","","","0.0783","0.0791","","","","","","1.064","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310052","10.8867","0.0005","15.2504","0.0007","15.7022","0.0007","64.985","0.001","83.043","0.001","71.157","0.001","2235.47","0.18","298","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H66 Cl2 Cr2 Cu4 Mo12 N8 O59 -","- C48 H32 Cl2 Cr2 Cu4 Mo12 N8 O64 -","- C48 H32 Cl2 Cr2 Cu4 Mo12 N8 O64 -","1","0.5","","Vaddypally Shivaiah; Samar K. Das","Polyoxometalate-Supported Transition Metal Complexes and Their Charge Complementarity: Synthesis and Characterization of [M(OH)6Mo6O18{Cu(Phen)(H2O)2}2][M(OH)6Mo6O18{Cu(Phen)(H2O) Cl}2].5H2O (M = Al3+, Cr3+)","Inorganic Chemistry","2005","44","","8846","8854","10.1021/ic050830j","","","0.71073","MoKα","","0.032","0.0287","","","0.0736","0.0758","","","","","","1.021","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310053","7.625","0.002","17.919","0.006","12.219","0.004","90","","106.286","0.004","90","","1602.5","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","1","","Mei Shi; Fuyou Li; Tao Yi; Dengqing Zhang; Huaiming Hu; Chunhui Huang","Tuning the Triplet Energy Levels of Pyrazolone Ligands to Match the 5D0 Level of Europium(III)","Inorganic Chemistry","2005","44","","8929","8936","10.1021/ic050844p","","","0.71073","MoKα","","0.0884","0.0587","","","0.1676","0.1863","","","","","","0.949","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310054","14.161","0.003","15.122","0.003","17.272","0.004","100.72","0.03","111.64","0.03","106.88","0.03","3106.1","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H53 Eu N9 O8 P -","- C72 H53 Eu N9 O8 P -","- C144 H106 Eu2 N18 O16 P2 -","2","1","","Mei Shi; Fuyou Li; Tao Yi; Dengqing Zhang; Huaiming Hu; Chunhui Huang","Tuning the Triplet Energy Levels of Pyrazolone Ligands to Match the 5D0 Level of Europium(III)","Inorganic Chemistry","2005","44","","8929","8936","10.1021/ic050844p","","","0.71073","MoKα","","0.099","0.0499","","","0.1053","0.1195","","","","","","0.908","","","","has coordinates","287900","2023-11-30","17:14:42",""
"4310055","12.1412","0.0012","13.191","0.0017","18.5921","0.0019","94.253","0.003","90.38","0.003","110.296","0.003","2783.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- Al Cs6 H0 Na O54.5 W12 -","- Al Cs6 Na O54.5 W12 -","- Al2 Cs12 Na2 O109 W24 -","2","1","","Yurii V. Geletii; Craig L. Hill; Alan J. Bailey; Kenneth I. Hardcastle; Rajai H. Atalla; Ira A. Weinstock","Electron Exchange between α-Keggin Tungstoaluminates and a Well-Defined Cluster-Anion Probe for Studies in Electron Transfer","Inorganic Chemistry","2005","44","","8955","8966","10.1021/ic050860m","","","0.71073","MoKα","","0.0992","0.0612","","","0.1395","0.1553","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310056","9.21","0.004","36.769","0.018","19.382","0.01","90","","103.331","0.011","90","","6387","5","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H72 Mo3 N2 S19 -","- C41 Mo3 N2 S19 -","- C164 Mo12 N8 S76 -","4","1","","Rosa Llusar; Sonia Triguero; Cristian Vicent; Maxim N. Sokolov; Benoît Domercq; Marc Fourmigué","A Family of Oxo-Chalcogenide Molybdenum and Tungsten Complexes, (n-Bu4N)2[M2O2(μ-Q)2(1,3-dithiole-2-thione-4,5-dithiolate)2] (M = Mo, W; Q = S, Se): New Synthetic Entries, Structure, and Gas-Phase Behavior","Inorganic Chemistry","2005","44","","8937","8946","10.1021/ic0508728","","","0.71073","MoKα","","0.2282","0.1262","","","0.2588","0.2983","","","","","","1.309","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310057","11.92","0.006","22.899","0.012","20.951","0.011","90","","98.689","0.013","90","","5653","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 Mo2 O2 P2 S12 -","- C54 H40 Mo2 O2 P2 S12 -","- C216 H160 Mo8 O8 P8 S48 -","4","1","","Rosa Llusar; Sonia Triguero; Cristian Vicent; Maxim N. Sokolov; Benoît Domercq; Marc Fourmigué","A Family of Oxo-Chalcogenide Molybdenum and Tungsten Complexes, (n-Bu4N)2[M2O2(μ-Q)2(1,3-dithiole-2-thione-4,5-dithiolate)2] (M = Mo, W; Q = S, Se): New Synthetic Entries, Structure, and Gas-Phase Behavior","Inorganic Chemistry","2005","44","","8937","8946","10.1021/ic0508728","","","0.71073","MoKα","","0.1469","0.0674","","","0.1496","0.1853","","","","","","1.011","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310058","17.942","0.0012","15.905","0.0016","19.1558","0.0017","90","","90","","90","","5466.4","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(Bu4N)2, Mo2S2O2(dmit)2","bis tetrabutylammonium, (bis(2,3-disulfanyl-4,5-dithiole-2-thione))(dimolybdenumdioxo bis(mu sulfido))","","- C38 H72 Mo2 N2 O2 S12 -","- C38 H72 Mo2 N2 O2 S12 -","- C152 H288 Mo8 N8 O8 S48 -","4","0.5","","Rosa Llusar; Sonia Triguero; Cristian Vicent; Maxim N. Sokolov; Benoît Domercq; Marc Fourmigué","A Family of Oxo-Chalcogenide Molybdenum and Tungsten Complexes, (n-Bu4N)2[M2O2(μ-Q)2(1,3-dithiole-2-thione-4,5-dithiolate)2] (M = Mo, W; Q = S, Se): New Synthetic Entries, Structure, and Gas-Phase Behavior","Inorganic Chemistry","2005","44","","8937","8946","10.1021/ic0508728","","","0.71073","MoKα","","0.1846","0.0495","","","0.0696","0.0945","","","","","","0.768","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310059","18.062","0.0013","15.9787","0.0012","19.2806","0.0014","90","","90","","90","","5564.5","0.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H72 N2 O2 S12 W2 -","- C38 H72 N2 O2 S12 W2 -","- C152 H288 N8 O8 S48 W8 -","4","0.5","","Rosa Llusar; Sonia Triguero; Cristian Vicent; Maxim N. Sokolov; Benoît Domercq; Marc Fourmigué","A Family of Oxo-Chalcogenide Molybdenum and Tungsten Complexes, (n-Bu4N)2[M2O2(μ-Q)2(1,3-dithiole-2-thione-4,5-dithiolate)2] (M = Mo, W; Q = S, Se): New Synthetic Entries, Structure, and Gas-Phase Behavior","Inorganic Chemistry","2005","44","","8937","8946","10.1021/ic0508728","","","0.71073","MoKα","","0.1794","0.086","","","0.2129","0.2669","","","","","","1.203","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310060","11.942","0.002","22.855","0.005","20.851","0.004","90","","96.34","0.005","90","","5656.2","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 O2 P2 S10 Se2 W2 -","- C54 H40 O2 P2 S10 Se2 W2 -","- C216 H160 O8 P8 S40 Se8 W8 -","4","1","","Rosa Llusar; Sonia Triguero; Cristian Vicent; Maxim N. Sokolov; Benoît Domercq; Marc Fourmigué","A Family of Oxo-Chalcogenide Molybdenum and Tungsten Complexes, (n-Bu4N)2[M2O2(μ-Q)2(1,3-dithiole-2-thione-4,5-dithiolate)2] (M = Mo, W; Q = S, Se): New Synthetic Entries, Structure, and Gas-Phase Behavior","Inorganic Chemistry","2005","44","","8937","8946","10.1021/ic0508728","","","0.71073","MoKα","","0.169","0.0665","","","0.1428","0.1951","","","","","","0.961","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310061","22.77","0.005","13.988","0.003","19.668","0.004","90","","121.029","0.005","90","","5368","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H72 Mo2 N2 O4 S10 -","- C38 H72 Mo2 N2 O4 S10 -","- C152 H288 Mo8 N8 O16 S40 -","4","0.5","","Rosa Llusar; Sonia Triguero; Cristian Vicent; Maxim N. Sokolov; Benoît Domercq; Marc Fourmigué","A Family of Oxo-Chalcogenide Molybdenum and Tungsten Complexes, (n-Bu4N)2[M2O2(μ-Q)2(1,3-dithiole-2-thione-4,5-dithiolate)2] (M = Mo, W; Q = S, Se): New Synthetic Entries, Structure, and Gas-Phase Behavior","Inorganic Chemistry","2005","44","","8937","8946","10.1021/ic0508728","","","0.71073","MoKα","","0.1205","0.0516","","","0.1149","0.1488","","","","","","0.965","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310062","12.2442","0.0007","27.6324","0.0016","22.4781","0.0012","90","","95.05","0.001","90","","7575.6","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C75 H65 N9 O10.5 Re3 -","- C75 H65 N9 O10.5 Re3 -","- C300 H260 N36 O42 Re12 -","4","1","","Peter H. Dinolfo; Kurt D. Benkstein; Charlotte L. Stern; Joseph T. Hupp","C- and Z-Shaped Coordination Compounds. Synthesis, Structure, and Spectroelectrochemistry of cis- and trans-[Re(CO)3(L)]2-2,2'-bisbenzimidizolate with L = 4-Phenylpyridine, 2,4'-Bipyridine, or Pyridine","Inorganic Chemistry","2005","44","","8707","8714","10.1021/ic050894u","","","0.71073","MoKα","","0.0891","0.0422","","","0.0956","0.1115","","","","","","0.961","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4310063","10.9858","0.0017","19.522","0.003","25.768","0.004","90","","97.593","0.002","90","","5477.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H36 N12 O9 Re3 -","- C60 H36 N12 O9 Re3 -","- C240 H144 N48 O36 Re12 -","4","1","","Peter H. Dinolfo; Kurt D. Benkstein; Charlotte L. Stern; Joseph T. Hupp","C- and Z-Shaped Coordination Compounds. Synthesis, Structure, and Spectroelectrochemistry of cis- and trans-[Re(CO)3(L)]2-2,2'-bisbenzimidizolate with L = 4-Phenylpyridine, 2,4'-Bipyridine, or Pyridine","Inorganic Chemistry","2005","44","","8707","8714","10.1021/ic050894u","","","0.71069","MoKα","","0.0465","0.0325","","","0.0707","0.078","","","","","","1.064","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310064","14.6968","0.0018","14.6968","0.0018","26.136","0.005","90","","90","","90","","5645.3","1.5","153","2","153","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C30 H18 N6 O6 Re2 -","- C30 H18 N6 O6 Re2 -","- C240 H144 N48 O48 Re16 -","8","0.5","","Peter H. Dinolfo; Kurt D. Benkstein; Charlotte L. Stern; Joseph T. Hupp","C- and Z-Shaped Coordination Compounds. Synthesis, Structure, and Spectroelectrochemistry of cis- and trans-[Re(CO)3(L)]2-2,2'-bisbenzimidizolate with L = 4-Phenylpyridine, 2,4'-Bipyridine, or Pyridine","Inorganic Chemistry","2005","44","","8707","8714","10.1021/ic050894u","","","0.71073","MoKα","","0.0359","0.0286","","","0.0571","0.0594","","","","","","1.063","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310065","9.0787","0.0018","16.653","0.003","9.4591","0.0019","90","","91.161","0.003","90","","1429.8","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 N6 O6 Re2 -","- C30 H18 N6 O6 Re2 -","- C60 H36 N12 O12 Re4 -","2","0.5","","Peter H. Dinolfo; Kurt D. Benkstein; Charlotte L. Stern; Joseph T. Hupp","C- and Z-Shaped Coordination Compounds. Synthesis, Structure, and Spectroelectrochemistry of cis- and trans-[Re(CO)3(L)]2-2,2'-bisbenzimidizolate with L = 4-Phenylpyridine, 2,4'-Bipyridine, or Pyridine","Inorganic Chemistry","2005","44","","8707","8714","10.1021/ic050894u","","","0.71073","MoKα","","0.023","0.0217","","","0.0515","0.0525","","","","","","1.041","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310066","21.362","0.003","21.362","0.003","9.784","0.002","90","","90","","90","","4464.8","1.3","153","2","153","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C22 H8 N4 O8 Re2 -","- C22 H8 N4 O8 Re2 -","- C176 H64 N32 O64 Re16 -","8","0.5","","Peter H. Dinolfo; Kurt D. Benkstein; Charlotte L. Stern; Joseph T. Hupp","C- and Z-Shaped Coordination Compounds. Synthesis, Structure, and Spectroelectrochemistry of cis- and trans-[Re(CO)3(L)]2-2,2'-bisbenzimidizolate with L = 4-Phenylpyridine, 2,4'-Bipyridine, or Pyridine","Inorganic Chemistry","2005","44","","8707","8714","10.1021/ic050894u","","","0.71073","MoKα","","0.0224","0.0206","","","0.0461","0.0469","","","","","","1.198","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310067","6.975","0.0003","16.17","0.0009","14.202","0.0008","90","","97.954","0.002","90","","1586.37","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Ana Galet; M. Carmen Muñoz; Ana B. Gaspar; José A. Real","Architectural Isomerism in the Three-Dimensional Polymeric Spin Crossover System {Fe(pmd)2[Ag(CN)2]2}: Synthesis, Structure, Magnetic Properties, and Calorimetric Studies","Inorganic Chemistry","2005","44","","8749","8755","10.1021/ic0509074","","","0.71073","MoKα","","0.0661","0.0381","","","0.0966","0.1152","","","","","","0.911","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310068","14.895","0.0002","8.158","0.0004","13.348","0.0005","90","","90","","90","","1621.96","0.1","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C48 H32 Ag8 Fe4 N32 -","- C48 H32 Ag8 Fe4 N32 -","- C48 H32 Ag8 Fe4 N32 -","1","0.125","","Ana Galet; M. Carmen Muñoz; Ana B. Gaspar; José A. Real","Architectural Isomerism in the Three-Dimensional Polymeric Spin Crossover System {Fe(pmd)2[Ag(CN)2]2}: Synthesis, Structure, Magnetic Properties, and Calorimetric Studies","Inorganic Chemistry","2005","44","","8749","8755","10.1021/ic0509074","","","0.71073","MoKα","","0.0338","0.0256","","","0.061","0.0643","","","","","","1.089","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310069","15.77","0.0002","8.298","0.0004","13.418","0.0006","90","","90","","90","","1755.87","0.12","250","2","250","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Ana Galet; M. Carmen Muñoz; Ana B. Gaspar; José A. Real","Architectural Isomerism in the Three-Dimensional Polymeric Spin Crossover System {Fe(pmd)2[Ag(CN)2]2}: Synthesis, Structure, Magnetic Properties, and Calorimetric Studies","Inorganic Chemistry","2005","44","","8749","8755","10.1021/ic0509074","","","0.71073","MoKα","","0.0356","0.0251","","","0.0582","0.0625","","","","","","1.008","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310070","5.9691","0.0009","24.987","0.004","5.9579","0.0009","90","","90","","90","","888.6","0.2","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","La2Zn3Ge6","","","- Ge6 La2 Zn3 -","- Ge6 La2 Zn3 -","- Ge24 La8 Zn12 -","4","0.25","","James R. Salvador; Daniel Bilc; Jeffrey R. Gour; Subhendra D. Mahanti; Mercouri G. Kanatzidis","Intermetallic Compounds with Near Zintl Phase Behavior: RE2Zn3Ge6 (RE = La, Ce, Pr, Nd) Grown from Liquid Indium","Inorganic Chemistry","2005","44","","8670","8679","10.1021/ic050941i","","","0.71073","MoKα","","0.027","0.0257","","","0.0741","0.0748","","","","","","1.183","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310071","5.9503","0.0005","24.761","0.002","5.9477","0.0005","90","","90","","90","","876.31","0.13","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Ce2Zn3Ge6","","","- Ce2 Ge6 Zn3 -","- Ce2 Ge6 Zn3 -","- Ce8 Ge24 Zn12 -","4","0.25","","James R. Salvador; Daniel Bilc; Jeffrey R. Gour; Subhendra D. Mahanti; Mercouri G. Kanatzidis","Intermetallic Compounds with Near Zintl Phase Behavior: RE2Zn3Ge6 (RE = La, Ce, Pr, Nd) Grown from Liquid Indium","Inorganic Chemistry","2005","44","","8670","8679","10.1021/ic050941i","","","0.71073","MoKα","","0.0261","0.0254","","","0.0719","0.0723","","","","","","1.343","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310072","5.9094","0.0007","24.619","0.003","5.9063","0.0007","90","","90","","90","","859.27","0.18","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge6 Nd2 Zn3 -","- Ge6 Nd2 Zn3 -","- Ge24 Nd8 Zn12 -","4","0.25","","James R. Salvador; Daniel Bilc; Jeffrey R. Gour; Subhendra D. Mahanti; Mercouri G. Kanatzidis","Intermetallic Compounds with Near Zintl Phase Behavior: RE2Zn3Ge6 (RE = La, Ce, Pr, Nd) Grown from Liquid Indium","Inorganic Chemistry","2005","44","","8670","8679","10.1021/ic050941i","","","0.71073","MoKα","","0.0492","0.0481","","","0.1277","0.1287","","","","","","1.171","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310073","5.938","0.002","24.708","0.008","5.936","0.002","90","","90","","90","","870.9","0.5","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Pr2Zn3Ge6","","","- Ge6 Pr2 Zn3 -","- Ge6 Pr2 Zn3 -","- Ge24 Pr8 Zn12 -","4","0.25","","James R. Salvador; Daniel Bilc; Jeffrey R. Gour; Subhendra D. Mahanti; Mercouri G. Kanatzidis","Intermetallic Compounds with Near Zintl Phase Behavior: RE2Zn3Ge6 (RE = La, Ce, Pr, Nd) Grown from Liquid Indium","Inorganic Chemistry","2005","44","","8670","8679","10.1021/ic050941i","","","0.71073","MoKα","","0.0281","0.0266","","","0.0697","0.0703","","","","","","1.307","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310074","14.337","0.006","12.524","0.005","23.755","0.01","90","","97.116","0.007","90","","4233","3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37.5 H41 F6 Ir N6 O0.5 P -","- C37.5 H41 F6 Ir N6 O0.5 P -","- C150 H164 F24 Ir4 N24 O2 P4 -","4","2","","Arnold B. Tamayo; Simona Garon; Tissa Sajoto; Peter I. Djurovich; Irina M. Tsyba; Robert Bau; Mark E. Thompson","Cationic Bis-cyclometalated Iridium(III) Diimine Complexes and Their Use in Efficient Blue, Green, and Red Electroluminescent Devices","Inorganic Chemistry","2005","44","","8723","8732","10.1021/ic050970t","","","0.71073","MoKα","","0.0689","0.0565","","","0.1496","0.1587","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310075","9.3774","0.001","10.4788","0.0011","20.8407","0.0022","82.873","0.002","86.533","0.002","85.432","0.002","2023","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 F12 N6 O2 P2 Ru -","- C40 H34 F12 N6 O2 P2 Ru -","- C80 H68 F24 N12 O4 P4 Ru2 -","2","1","","Thomas Bark; Randolph P. Thummel","[1,10]-Phenanthrolin-2-yl Ketones and Their Coordination Chemistry","Inorganic Chemistry","2005","44","","8733","8739","10.1021/ic050996k","","","0.71073","MoKα","","0.1143","0.0576","","","0.1357","0.1768","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310076","6.1448","0.0008","9.6536","0.0012","16.946","0.002","90","","92.17","0.002","90","","1004.5","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","gadolinium citrate, hydrate","","","- C6 H11 Gd O10 -","- C6 H11 Gd O10 -","- C24 H44 Gd4 O40 -","4","1","","Ricardo Baggio; Rafael Calvo; María Teresa Garland; Octavio Peña; Mireille Perec; Alberto Rizzi","Gadolinium and Neodymium Citrates: Evidence for Weak Ferromagnetic Exchange between Gadolinium(III) Cations","Inorganic Chemistry","2005","44","","8979","8987","10.1021/ic0510056","","","0.71073","MoKα","","0.0447","0.0358","","","0.0768","0.0799","","","","","","1.207","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310077","6.2296","0.0005","9.7066","0.0008","17.0175","0.0014","90","","91.317","0.001","90","","1028.75","0.15","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","neodimium citrate, hydrate","","","- C6 H11 Nd O10 -","- C6 H11 Nd O10 -","- C24 H44 Nd4 O40 -","4","1","","Ricardo Baggio; Rafael Calvo; María Teresa Garland; Octavio Peña; Mireille Perec; Alberto Rizzi","Gadolinium and Neodymium Citrates: Evidence for Weak Ferromagnetic Exchange between Gadolinium(III) Cations","Inorganic Chemistry","2005","44","","8979","8987","10.1021/ic0510056","","","0.71073","MoKα","","0.0251","0.0229","","","0.0546","0.0559","","","","","","1.045","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310078","12.765","0.005","12.765","0.005","6.966","0.004","90","","90","","90","","1135.1","0.9","295","2","295","2","","","","","","","","3","I 4 m m","I 4 -2","107","","mu4-sulfo-tetrakis(mu2,hapta2-disulfo)-octabromo-tetratantalum(IV,V)","","- Br8 S9 Ta4 -","- Br8 S9 Ta4 -","- Br16 S18 Ta8 -","2","0.125","","Maxim N. Sokolov; Artem L. Gushchin; Pavel A. Abramov; Alexandr V. Virovets; Eugenia V. Peresypkina; Svetlana G. Kozlova; Boris A. Kolesov; Cristian Vicent; Vladimir P. Fedin","Synthesis and Structure of Ta4S9Br8. An Emergent Family of Early Transition Metal Chalcogenide Clusters","Inorganic Chemistry","2005","44","","8756","8761","10.1021/ic051014e","","","0.71073","MoKα","","0.0488","0.0335","","","0.0649","0.0695","","","","","","1.016","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310079","8.2973","0.0002","15.7634","0.0004","15.8702","0.0004","90","","102.58","0.001","90","","2025.89","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 S8 -","- C14 H16 O2 S8 -","- C56 H64 O8 S32 -","4","1","","Julien Massue; Nathalie Bellec; Stéphanie Chopin; Eric Levillain; Thierry Roisnel; Rodolphe Clérac; Dominique Lorcy","Electroactive Ligands: The First Metal Complexes of Tetrathiafulvenyl-Acetylacetonate","Inorganic Chemistry","2005","44","","8740","8748","10.1021/ic051017r","","x-ray","0.71073","MoKα","","0.0574","0.0402","","","0.1009","0.1132","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310080","19.953","0.005","9.397","0.005","28.325","0.005","90","","107.37","0.005","90","","5069","3","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 N2 Ni O4 S16 -","- C38 H40 N2 Ni O4 S16 -","- C152 H160 N8 Ni4 O16 S64 -","4","0.5","","Julien Massue; Nathalie Bellec; Stéphanie Chopin; Eric Levillain; Thierry Roisnel; Rodolphe Clérac; Dominique Lorcy","Electroactive Ligands: The First Metal Complexes of Tetrathiafulvenyl-Acetylacetonate","Inorganic Chemistry","2005","44","","8740","8748","10.1021/ic051017r","","x-ray","0.71069","MoKα","","0.0625","0.0402","","","0.0971","0.1092","","","","","","1.036","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310081","19.928","0.005","9.342","0.005","28.076","0.005","90","","107.707","0.005","90","","4979","3","293","2","393","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 N2 O4 S16 Zn -","- C38 H40 N2 O4 S16 Zn -","- C152 H160 N8 O16 S64 Zn4 -","4","0.5","","Julien Massue; Nathalie Bellec; Stéphanie Chopin; Eric Levillain; Thierry Roisnel; Rodolphe Clérac; Dominique Lorcy","Electroactive Ligands: The First Metal Complexes of Tetrathiafulvenyl-Acetylacetonate","Inorganic Chemistry","2005","44","","8740","8748","10.1021/ic051017r","","x-ray","0.71069","MoKα","","0.0409","0.0298","","","0.0639","0.0671","","","","","","1.082","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310082","9.189","0.005","5.402","0.005","26.794","0.005","90","","95.307","0.005","90","","1324.3","1.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 n 1","P -2yac","7","","","","- C20 H28 O2 S8 -","- C20 H27 O2 S8 -","- C40 H54 O4 S16 -","2","1","","Julien Massue; Nathalie Bellec; Stéphanie Chopin; Eric Levillain; Thierry Roisnel; Rodolphe Clérac; Dominique Lorcy","Electroactive Ligands: The First Metal Complexes of Tetrathiafulvenyl-Acetylacetonate","Inorganic Chemistry","2005","44","","8740","8748","10.1021/ic051017r","","x-ray","0.71069","MoKα","","0.0449","0.0377","","","0.0971","0.1031","","","","","","1.045","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310083","9.883","0.005","23.837","0.005","12.395","0.005","90","","94.22","0.005","90","","2912","2","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H40 N2 Ni O4 S16 -","- C38 H40 N2 Ni O4 S16 -","- C76 H80 N4 Ni2 O8 S32 -","2","0.5","","Julien Massue; Nathalie Bellec; Stéphanie Chopin; Eric Levillain; Thierry Roisnel; Rodolphe Clérac; Dominique Lorcy","Electroactive Ligands: The First Metal Complexes of Tetrathiafulvenyl-Acetylacetonate","Inorganic Chemistry","2005","44","","8740","8748","10.1021/ic051017r","","x-ray","0.71069","MoKα","","0.072","0.0527","","","0.1497","0.1645","","","","","","1.032","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310084","21.211","0.004","7.4354","0.0014","24.245","0.005","90","","113.095","0.003","90","","3517.3","1.2","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 Fe N3 O S2 -","- C14 H28 Fe N3 O S2 -","- C112 H224 Fe8 N24 O8 S16 -","8","1","","Chao-Yi Chiang; Jonghyuk Lee; Christopher Dalrymple; Michael C. Sarahan; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Synthesis and Molecular Structures of Mononitrosyl (N2S2)M(NO) Complexes (M = Fe, Co)","Inorganic Chemistry","2005","44","","9007","9016","10.1021/ic051027s","","","0.71073","MoKα","","0.0405","0.0385","","","0.0985","0.1009","","","","","","1.07","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310085","7.3544","0.0009","8.0686","0.001","11.6108","0.0014","95.523","0.002","97.57","0.002","114.273","0.002","613.92","0.13","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H18 Fe N3 O S2 -","- C9 H18 Fe N3 O S2 -","- C18 H36 Fe2 N6 O2 S4 -","2","1","","Chao-Yi Chiang; Jonghyuk Lee; Christopher Dalrymple; Michael C. Sarahan; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Synthesis and Molecular Structures of Mononitrosyl (N2S2)M(NO) Complexes (M = Fe, Co)","Inorganic Chemistry","2005","44","","9007","9016","10.1021/ic051027s","","","0.71073","MoKα","","0.0353","0.0342","","","0.0869","0.0882","","","","","","1.019","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310086","7.697","0.004","23.622","0.012","7.705","0.004","90","","112.703","0.008","90","","1292.4","1.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Co N3 O S2 -","- C10 H20 Co N3 O S2 -","- C40 H80 Co4 N12 O4 S8 -","4","1","","Chao-Yi Chiang; Jonghyuk Lee; Christopher Dalrymple; Michael C. Sarahan; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Synthesis and Molecular Structures of Mononitrosyl (N2S2)M(NO) Complexes (M = Fe, Co)","Inorganic Chemistry","2005","44","","9007","9016","10.1021/ic051027s","","","0.71073","MoKα","","0.0744","0.0593","","","0.1044","0.1098","","","","","","1.092","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310087","8.2608","0.0013","12.7516","0.0019","12.5833","0.0019","90","","98.676","0.002","90","","1310.3","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 Co N3 O S2 -","- C9 H20 Co N3 O S2 -","- C36 H80 Co4 N12 O4 S8 -","4","1","","Chao-Yi Chiang; Jonghyuk Lee; Christopher Dalrymple; Michael C. Sarahan; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Synthesis and Molecular Structures of Mononitrosyl (N2S2)M(NO) Complexes (M = Fe, Co)","Inorganic Chemistry","2005","44","","9007","9016","10.1021/ic051027s","","","0.71073","MoKα","","0.0231","0.022","","","0.0528","0.0535","","","","","","1.063","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310088","8.4037","0.0005","7.4235","0.0004","14.9619","0.0009","90","","94.284","0.001","90","","930.79","0.09","294","1","294","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N6 -","- C44 H40 N12 -","2","0.5","","Chun-Long Chen; Andrea M. Goforth; Mark D. Smith; Cheng-Yong Su; Hans-Conrad zur Loye","Non-Interpenetrated Square-Grid Coordination Polymers Synthesized Using an Extremely Long N,N'-Type Ligand","Inorganic Chemistry","2005","44","","8762","8769","10.1021/ic051068o","","","0.71073","MoKα","","0.0443","0.0394","","","0.1098","0.1135","","","","","","1.036","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310089","8.5036","0.0005","23.8157","0.0013","10.2711","0.0006","90","","90.688","0.001","90","","2079.9","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Mn N14 O6 -","- C44 H40 Mn N14 O6 -","- C88 H80 Mn2 N28 O12 -","2","0.5","","Chun-Long Chen; Andrea M. Goforth; Mark D. Smith; Cheng-Yong Su; Hans-Conrad zur Loye","Non-Interpenetrated Square-Grid Coordination Polymers Synthesized Using an Extremely Long N,N'-Type Ligand","Inorganic Chemistry","2005","44","","8762","8769","10.1021/ic051068o","","","0.71073","MoKα","","0.0608","0.0489","","","0.1237","0.1303","","","","","","1.038","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310090","10.1647","0.0007","20.6265","0.0013","22.0519","0.0015","63.151","0.001","86.92","0.001","82.823","0.001","4092.7","0.5","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cd N14 O6 -","- C44 H40 Cd N14 O6 -","- C132 H120 Cd3 N42 O18 -","3","1.5","","Chun-Long Chen; Andrea M. Goforth; Mark D. Smith; Cheng-Yong Su; Hans-Conrad zur Loye","Non-Interpenetrated Square-Grid Coordination Polymers Synthesized Using an Extremely Long N,N'-Type Ligand","Inorganic Chemistry","2005","44","","8762","8769","10.1021/ic051068o","","","0.71073","MoKα","","0.0763","0.054","","","0.1214","0.1274","","","","","","0.949","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310091","8.5646","0.0005","23.7881","0.0013","10.3148","0.0006","90","","90.796","0.001","90","","2101.3","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cd N14 O6 -","- C44 H40 Cd N14 O6 -","- C88 H80 Cd2 N28 O12 -","2","0.5","","Chun-Long Chen; Andrea M. Goforth; Mark D. Smith; Cheng-Yong Su; Hans-Conrad zur Loye","Non-Interpenetrated Square-Grid Coordination Polymers Synthesized Using an Extremely Long N,N'-Type Ligand","Inorganic Chemistry","2005","44","","8762","8769","10.1021/ic051068o","","","0.71073","MoKα","","0.0417","0.0344","","","0.0835","0.0866","","","","","","1.042","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310092","10.2553","0.0007","19.4349","0.0014","37.201","0.003","90","","91.131","0.002","90","","7413.1","0.9","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66.64 H66.41 B2 F8 N13.57 O5.03 Zn -","- C66.65 H66.416 B2 F8 N13.576 O5.03 Zn -","- C266.6 H265.664 B8 F32 N54.304 O20.12 Zn4 -","4","1","","Chun-Long Chen; Andrea M. Goforth; Mark D. Smith; Cheng-Yong Su; Hans-Conrad zur Loye","Non-Interpenetrated Square-Grid Coordination Polymers Synthesized Using an Extremely Long N,N'-Type Ligand","Inorganic Chemistry","2005","44","","8762","8769","10.1021/ic051068o","","","0.71073","MoKα","","0.0941","0.0724","","","0.1865","0.1951","","","","","","1.099","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310093","14.768","0.003","16.635","0.003","21.254","0.004","90","","94.17","0.03","90","","5207.6","1.7","168","2","168","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H152 N10 Na4 O24 Se8 Tl4 -","- C74 H152 N10 Na4 O24 Se8 Tl4 -","- C148 H304 N20 Na8 O48 Se16 Tl8 -","2","0.5","","Ayaaz M. Pirani; Hélène P. A. Mercier; Reijo J. Suontamo; Gary J. Schrobilgen; David P. Santry; Horst Borrmann","Syntheses; 77Se, 203Tl, and 205Tl NMR; and Theoretical Studies of the Tl2Se66-, Tl3Se65-, and Tl3Se75- Anions and the X-ray Crystal Structures of [2,2,2-crypt-Na]4[Tl4Se8].en and [2,2,2-crypt-Na]2[Tl2Se4]\ιnfty1.en","Inorganic Chemistry","2005","44","","8770","8785","10.1021/ic0510922","","","0.71073","MoKα","","0.0708","0.0331","","0.0446","0.0394","","","","0.86","0.956","0.956","","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310094","14.246","0.003","14.36","0.003","26.673","0.005","90","","99.87","0.03","90","","5375.8","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H80 N6 Na2 O12 Se4 Tl2 -","- C38 H80 N6 Na2 O12 Se4 Tl2 -","- C152 H320 N24 Na8 O48 Se16 Tl8 -","4","1","","Ayaaz M. Pirani; Hélène P. A. Mercier; Reijo J. Suontamo; Gary J. Schrobilgen; David P. Santry; Horst Borrmann","Syntheses; 77Se, 203Tl, and 205Tl NMR; and Theoretical Studies of the Tl2Se66-, Tl3Se65-, and Tl3Se75- Anions and the X-ray Crystal Structures of [2,2,2-crypt-Na]4[Tl4Se8].en and [2,2,2-crypt-Na]2[Tl2Se4]\ιnfty1.en","Inorganic Chemistry","2005","44","","8770","8785","10.1021/ic0510922","","","0.71073","MoKα","","0.0583","0.0447","","","0.1097","0.1133","","","","","","1.483","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310095","12.581","0.003","8.4606","0.0018","13.465","0.003","90","","95.936","0.004","90","","1425.6","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cl Cu N7 O4 -","- C28 H28 Cl Cu N7 O4 -","- C56 H56 Cl2 Cu2 N14 O8 -","2","1","","He-Rui Wen; Cai-Feng Wang; You Song; Jing-Lin Zuo; Xiao-Zeng You","One-Dimensional Azido-Bridged Chiral Metal Complexes with Ferromagnetic or Antiferromagnetic Interactions: Syntheses, Structures, and Magnetic Studies","Inorganic Chemistry","2005","44","","9039","9045","10.1021/ic051108o","","","0.71073","MoKα","","0.0705","0.0559","","","0.1077","0.1103","","","","","","1.02","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310096","12.599","0.005","8.461","0.003","13.48","0.005","90","","96.006","0.012","90","","1429.1","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cl Cu N7 O4 -","- C28 H28 Cl Cu N7 O4 -","- C56 H56 Cl2 Cu2 N14 O8 -","2","1","","He-Rui Wen; Cai-Feng Wang; You Song; Jing-Lin Zuo; Xiao-Zeng You","One-Dimensional Azido-Bridged Chiral Metal Complexes with Ferromagnetic or Antiferromagnetic Interactions: Syntheses, Structures, and Magnetic Studies","Inorganic Chemistry","2005","44","","9039","9045","10.1021/ic051108o","","","0.71073","MoKα","","0.0484","0.0435","","","0.1009","0.1024","","","","","","1.04","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310097","12.822","0.003","8.3655","0.0019","13.658","0.003","90","","94.668","0.005","90","","1460.1","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cl Mn N7 O4 -","- C28 H28 Cl Mn N7 O4 -","- C56 H56 Cl2 Mn2 N14 O8 -","2","1","","He-Rui Wen; Cai-Feng Wang; You Song; Jing-Lin Zuo; Xiao-Zeng You","One-Dimensional Azido-Bridged Chiral Metal Complexes with Ferromagnetic or Antiferromagnetic Interactions: Syntheses, Structures, and Magnetic Studies","Inorganic Chemistry","2005","44","","9039","9045","10.1021/ic051108o","","","0.71073","MoKα","","0.0587","0.0463","","","0.0983","0.1016","","","","","","1.016","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310098","30.222","0.002","21.0617","0.0017","27.151","0.002","90","","116.817","0.002","90","","15424","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H196 F32 Mn12 O56 -","- C115.048 H57.144 F32.952 Mn12 O48 -","- C460.192 H228.576 F131.808 Mn48 O192 -","4","0.5","","Philippa King; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Single-Molecule Magnets: A Reductive Aggregation Route to New Types of Mn12 Complexes","Inorganic Chemistry","2005","44","","8659","8669","10.1021/ic051150j","","","0.71073","MoKα","","0.1694","0.0752","","","0.182","0.205","","","","","","0.838","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310099","17.5287","0.0009","19.1454","0.001","20.4668","0.0011","90","","112.709","0.002","90","","6336.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H164 Mn12 O48 -","- C86 H164 Mn12 O48 -","- C172 H328 Mn24 O96 -","2","0.5","","Philippa King; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Single-Molecule Magnets: A Reductive Aggregation Route to New Types of Mn12 Complexes","Inorganic Chemistry","2005","44","","8659","8669","10.1021/ic051150j","","","0.71073","MoKα","","0.1468","0.0625","","","0.1553","0.1761","","","","","","0.887","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310100","21.2382","0.0013","29.477","0.0019","19.4191","0.0013","90","","90","","90","","12157.1","1.4","173","2","173","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C84 H124 Mn12 O48 -","- C84 H160 Mn12 O48 -","- C336 H640 Mn48 O192 -","4","","","Philippa King; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Single-Molecule Magnets: A Reductive Aggregation Route to New Types of Mn12 Complexes","Inorganic Chemistry","2005","44","","8659","8669","10.1021/ic051150j","","","0.71073","MoKα","","0.1491","0.0556","","","0.0969","0.1195","","","","","","0.81","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4310101","11.172","0.001","11.172","0.001","11.172","0.001","90","","90","","90","","1394.4","0.2","293","2","293","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","tin copper arsenide iodide","","","- As22 Cu4.7 I8 Sn19.3 -","- As22 Cu4.8 I8 Sn19.272 -","- As22 Cu4.8 I8 Sn19.272 -","1","0.0208333","","Kirill A. Kovnir; Alexei V. Sobolev; Igor A. Presniakov; Oleg I. Lebedev; Gustaaf Van Tendeloo; Walter Schnelle; Yuri Grin; Andrei V. Shevelkov","Sn19.3Cu4.7As22I8: a New Clathrate-I Compound with Transition-Metal Atoms in the Cationic Framework","Inorganic Chemistry","2005","44","","8786","8793","10.1021/ic051160k","","","0.71069","MoKα","","0.0332","0.0308","","","0.0624","0.063","","","","","","1.296","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310102","15.107","0.007","17.44","0.008","21.742","0.012","81.44","0.02","84.21","0.02","67.64","0.02","5232","5","183.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H96 K3.5 N0.5 O63.5 Si V2 W10 -","- C46 K3.5 N0.5 O63.5 Si V2 W10 -","- C92 K7 N O127 Si2 V4 W20 -","2","1","","Yoshinao Nakagawa; Kazuhiro Uehara; Noritaka Mizuno","Reactivity of Bis(μ-hydroxo) Divanadium Site in γ-H2SiV2W10O404- with Hydroxo Compounds","Inorganic Chemistry","2005","44","","9068","9075","10.1021/ic051163x","","","0.7107","MoKα","","","0.064","","","","0.073","","","","","","4.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310103","11.5707","0.0003","22.2153","0.0006","13.3566","0.0003","90","","113.371","0.002","90","","3151.59","0.15","153.1","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C26 H66 N8 O40 Si V2 W10 -","- C26 N8 O40 Si V2 W10 -","- C52 N16 O80 Si2 V4 W20 -","2","0.5","","Yoshinao Nakagawa; Kazuhiro Uehara; Noritaka Mizuno","Reactivity of Bis(μ-hydroxo) Divanadium Site in γ-H2SiV2W10O404- with Hydroxo Compounds","Inorganic Chemistry","2005","44","","9068","9075","10.1021/ic051163x","","","0.7107","MoKα","","","0.039","","","","0.059","","","","","","7.842","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310104","13.1578","0.0002","13.5146","0.0003","21.2057","0.0004","77.705","0.0008","89.548","0.0008","81.944","0.0013","3647.06","0.12","153.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C25.5 H70.5 N6.5 O42.5 Si V2 W10 -","- C25.5 N6.5 O42.5 Si V2 W10 -","- C51 N13 O85 Si2 V4 W20 -","2","1","","Yoshinao Nakagawa; Kazuhiro Uehara; Noritaka Mizuno","Reactivity of Bis(μ-hydroxo) Divanadium Site in γ-H2SiV2W10O404- with Hydroxo Compounds","Inorganic Chemistry","2005","44","","9068","9075","10.1021/ic051163x","","","0.71069","MoKα","","","0.0393","","","","0.0516","","","","","","8.367","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310105","14.035","0.004","14.666","0.004","19.784","0.005","77.66","0.009","80.364","0.009","87.81","0.01","3922.1","1.8","103.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H98 N4 O45 Si V2 W10 -","- C41 H N4 O45 Si V2 W10 -","- C82 H2 N8 O90 Si2 V4 W20 -","2","1","","Yoshinao Nakagawa; Kazuhiro Uehara; Noritaka Mizuno","Reactivity of Bis(μ-hydroxo) Divanadium Site in γ-H2SiV2W10O404- with Hydroxo Compounds","Inorganic Chemistry","2005","44","","9068","9075","10.1021/ic051163x","","","0.7107","MoKα","","","0.07","","","","0.087","","","","","","10.459","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310106","14.007","0.002","9.994","0.002","28.419","0.004","90","","97.396","0.004","90","","3945.2","1.1","243.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H41 B Cl Fe N4 O2 -","- C48 H41 B Cl Fe N4 O2 -","- C192 H164 B4 Cl4 Fe4 N16 O8 -","4","1","","Masakazu Higuchi; Yutaka Hitomi; Hisataka Minami; Tsunehiro Tanaka; Takuzo Funabiki","Correlation of Spin States and Spin Delocalization with the Dioxygen Reactivity of Catecholatoiron(III) Complexes","Inorganic Chemistry","2005","44","","8810","8821","10.1021/ic051173y","","","0.7107","MoKα","","","0.0382","","","","0.0901","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310107","17.6391","0.0015","39.53","0.004","11.7333","0.0011","90","","90","","90","","8181.3","1.3","293","2","293","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C33 H28 N16 Ni2 O7 -","- C33 H28 N16 Ni2 O7 -","- C264 H224 N128 Ni16 O56 -","8","1","","Bing-Bing Ding; Yan-Qin Weng; Zong-Wan Mao; Chi-Keung Lam; Xiao-Ming Chen; Bao-Hui Ye","Pillared-Layer Microporous Metal-Organic Frameworks Constructed by Robust Hydrogen Bonds. Synthesis, Characterization, and Magnetic and Adsorption Properties of 2,2'-Biimidazole and Carboxylate Complexes","Inorganic Chemistry","2005","44","","8836","8845","10.1021/ic051195k","","","0.71073","MoKα","","0.0827","0.0602","","","0.1322","0.1442","","","","","","0.98","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310108","18.1339","0.0015","39.318","0.003","11.6914","0.001","90","","90","","90","","8335.8","1.2","293","2","293","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C33 H28 Co2 N16 O7 -","- C33 H28 Co2 N16 O7 -","- C264 H224 Co16 N128 O56 -","8","1","","Bing-Bing Ding; Yan-Qin Weng; Zong-Wan Mao; Chi-Keung Lam; Xiao-Ming Chen; Bao-Hui Ye","Pillared-Layer Microporous Metal-Organic Frameworks Constructed by Robust Hydrogen Bonds. Synthesis, Characterization, and Magnetic and Adsorption Properties of 2,2'-Biimidazole and Carboxylate Complexes","Inorganic Chemistry","2005","44","","8836","8845","10.1021/ic051195k","","","0.71073","MoKα","","0.0593","0.0503","","","0.147","0.1559","","","","","","1.073","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310109","11.9262","0.0008","13.3376","0.001","13.458","0.0009","101.035","0.002","111.432","0.002","94.637","0.002","1929","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H70 Cl O2 P3 Pt -","- C36 H70 Cl O2 P3 Pt -","- C72 H140 Cl2 O4 P6 Pt2 -","2","1","","Piero Mastrorilli; Cosimo F. Nobile; Mario Latronico; Vito Gallo; Ulli Englert; Francesco P. Fanizzi; Oronzo Sciacovelli","Multinuclear and Dynamic NMR Study of trans-[Pt(Cl)(PHCy2)2(PCy2)], [Pt(Cl)(PHCy2)3][BF4], [Pt(Cl)(PHCy2)3][Cl], trans-[Pt(Cl)(PHCy2)2{P(S)Cy2}], and trans-[Pt(Cl)(PHCy2)2{P(O)Cy2}]. Influence of Intramolecular PO...H-P and Cl...H-P Interactions on Restricted Rotation about Pt-P Bond. X-ray Structure of trans-[Pt(Cl)(PHCy2)2{P(O)Cy2}]","Inorganic Chemistry","2005","44","","9097","9104","10.1021/ic051198x","","","0.71073","MoKα","","0.0495","0.0402","","","0.0861","0.089","","","","","","1.067","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310110","10.9317","0.0008","12.1008","0.0008","13.1681","0.001","90","","108.134","0.001","90","","1655.4","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H29 Ir O3 P2 -","- C39 H29 Ir O3 P2 -","- C78 H58 Ir2 O6 P4 -","2","1","","Francisco Acha; María A. Garralda; Lourdes Ibarlucea; Elena Pinilla; M. Rosario Torres","Novel Hydridoirida-β-diketones Containing Small Molecules, CO, or Ethylene: Their Behavior in Coordinating Solvents Such as Dimethylsulfoxide or Acetonitrile","Inorganic Chemistry","2005","44","","9084","9091","10.1021/ic051219n","","","0.71073","MoKα","","0.0481","0.0364","","","0.0699","0.0731","","","","","","0.923","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310111","21.0658","0.0014","11.1459","0.0007","17.5379","0.0012","90","","90.621","0.001","90","","4117.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 Cl6 Ir O3 P2 -","- C41 H31 Cl6 Ir O3 P2 -","- C164 H124 Cl24 Ir4 O12 P8 -","4","1","","Francisco Acha; María A. Garralda; Lourdes Ibarlucea; Elena Pinilla; M. Rosario Torres","Novel Hydridoirida-β-diketones Containing Small Molecules, CO, or Ethylene: Their Behavior in Coordinating Solvents Such as Dimethylsulfoxide or Acetonitrile","Inorganic Chemistry","2005","44","","9084","9091","10.1021/ic051219n","","","0.71073","MoKα","","0.0779","0.0526","","","0.1356","0.1474","","","","","","0.981","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310112","9.8373","0.0007","13.1332","0.0009","16.7523","0.0011","98.297","0.001","103.212","0.001","102.556","0.001","2013.3","0.2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C41 H35 B Cl2 F4 Ir N O2 P2 -","- C41 H35 B Cl2 F4 Ir N O2 P2 -","- C82 H70 B2 Cl4 F8 Ir2 N2 O4 P4 -","2","1","","Francisco Acha; María A. Garralda; Lourdes Ibarlucea; Elena Pinilla; M. Rosario Torres","Novel Hydridoirida-β-diketones Containing Small Molecules, CO, or Ethylene: Their Behavior in Coordinating Solvents Such as Dimethylsulfoxide or Acetonitrile","Inorganic Chemistry","2005","44","","9084","9091","10.1021/ic051219n","","","0.71073","MoKα","","0.0761","0.0526","","","0.1063","0.114","","","","","","0.908","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310113","23.9365","0.0005","10.8608","0.0002","19.7789","0.0005","90","","94.2343","0.0007","90","","5127.88","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Mn N10 O -","- C25 H22 Mn N10 O -","- C200 H176 Mn8 N80 O8 -","8","1","","En-Qing Gao; Ai-Ling Cheng; Yan-Xia Xu; Ming-Yuan He; Chun-Hua Yan","From Low-Dimensional Manganese(II) Azido Motifs to Higher-Dimensional Materials: Structure and Magnetic Properties","Inorganic Chemistry","2005","44","","8822","8835","10.1021/ic0512328","","","0.71073","MoKα","","0.1126","0.0664","","","0.1747","0.1973","","","","","","1.025","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4310114","27.8153","0.0005","8.6615","0.0002","15.239","0.0003","90","","103.601","0.001","90","","3568.46","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Mn N10 O -","- C12 H10 Mn N10 O -","- C96 H80 Mn8 N80 O8 -","8","1","","En-Qing Gao; Ai-Ling Cheng; Yan-Xia Xu; Ming-Yuan He; Chun-Hua Yan","From Low-Dimensional Manganese(II) Azido Motifs to Higher-Dimensional Materials: Structure and Magnetic Properties","Inorganic Chemistry","2005","44","","8822","8835","10.1021/ic0512328","","","0.71073","MoKα","","0.1097","0.0591","","","0.1597","0.1813","","","","","","1.065","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310115","8.6051","0.0007","8.6212","0.0008","11.8163","0.0011","104.866","0.004","104.968","0.004","94.773","0.004","807.96","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Mn N10 -","- C14 H14 Mn N10 -","- C28 H28 Mn2 N20 -","2","1","","En-Qing Gao; Ai-Ling Cheng; Yan-Xia Xu; Ming-Yuan He; Chun-Hua Yan","From Low-Dimensional Manganese(II) Azido Motifs to Higher-Dimensional Materials: Structure and Magnetic Properties","Inorganic Chemistry","2005","44","","8822","8835","10.1021/ic0512328","","","0.71073","MoKα","","0.0978","0.0427","","","0.0907","0.122","","","","","","1.035","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310116","12.561","0.0007","8.5159","0.0004","8.2206","0.0004","90","","105.093","0.002","90","","849.01","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Mn N10 -","- C14 H14 Mn N10 -","- C28 H28 Mn2 N20 -","2","0.5","","En-Qing Gao; Ai-Ling Cheng; Yan-Xia Xu; Ming-Yuan He; Chun-Hua Yan","From Low-Dimensional Manganese(II) Azido Motifs to Higher-Dimensional Materials: Structure and Magnetic Properties","Inorganic Chemistry","2005","44","","8822","8835","10.1021/ic0512328","","","0.71073","MoKα","","0.0727","0.0452","","","0.112","0.1239","","","","","","1.04","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310117","3.9619","0.0002","12.8541","0.0007","6.1175","0.0004","90","","90","","90","","311.54","0.03","240","2","240","2","","","","","","","synthesis as described","4","C m c m","-C 2c 2","63","Barium Zinc Oxysulfide","","","- Ba O S Zn -","- Ba O S Zn -","- Ba4 O4 S4 Zn4 -","4","0.25","","Sarah Broadley; Zoltán A. Gál; Furio Corà; Catherine F. Smura; Simon J. Clarke","Vertex-Linked ZnO2S2 Tetrahedra in the Oxysulfide BaZnOS: a New Coordination Environment for Zinc in a Condensed Solid","Inorganic Chemistry","2005","44","","9092","9096","10.1021/ic051240o","","x-ray","0.71073","MoKα","","0.0244","0.0188","","","0.0364","0.0374","","","","","","1.067","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310118","6.9159","0.0002","9.5429","0.0003","11.5226","0.0004","91.367","0.002","95.337","0.002","109.358","0.002","713.15","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Bi2 Br6 S4 -","- C18 H18 Bi2 Br6 S4 -","- C18 H18 Bi2 Br6 S4 -","1","0.5","","Kunhao Li; Hanhui Xu; Zhengtao Xu; Matthias Zeller; Allen D. Hunter","Semiconductive Coordination Networks from Bismuth(III) Bromide and 1,2-Bis(methylthio)phenylacetylene-Based Ligands","Inorganic Chemistry","2005","44","","8855","8860","10.1021/ic0512734","","","0.71073","MoKα","","0.0251","0.0235","","","0.0579","0.0587","","","","","","1.084","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310119","9.9885","0.001","11.9178","0.0012","20.045","0.002","92.579","0.002","98.847","0.002","110.781","0.002","2191.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Bi2 Br6 S6 -","- C36 H30 Bi2 Br6 S6 -","- C72 H60 Bi4 Br12 S12 -","2","1","","Kunhao Li; Hanhui Xu; Zhengtao Xu; Matthias Zeller; Allen D. Hunter","Semiconductive Coordination Networks from Bismuth(III) Bromide and 1,2-Bis(methylthio)phenylacetylene-Based Ligands","Inorganic Chemistry","2005","44","","8855","8860","10.1021/ic0512734","","","0.71073","MoKα","","0.0488","0.0422","","","0.1012","0.1093","","","","","","1.138","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4310120","14.4266","0.0002","17.2972","0.0002","22.1531","0.0002","105.762","0.0003","106.512","0.0004","90.6879","0.0003","5076.9","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","?","6","P -1","-P 1","2","","","","- C100 H128 Cl2 La2 N6 O4 -","- C100 H128 Cl2 La2 N6 O4 -","- C200 H256 Cl4 La4 N12 O8 -","2","1","","Fanny Bonnet; Andrew R. Cowley; Philip Mountford","Lanthanide Borohydride Complexes Supported by Diaminobis(phenoxide) Ligands for the Polymerization of ε-Caprolactone and l- and rac-Lactide","Inorganic Chemistry","2005","44","","9046","9055","10.1021/ic051316g","","","0.71073","MoKα","","0.098","0.0743","","0.0891","0.0762","0.0762","","","","","","0.9678","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310121","14.879","0.013","9.772","0.008","9.608","0.008","90","","98.611","0.011","90","","1381","2","113","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N6 -","- C36 H28 N6 -","- C72 H56 N12 -","2","0.5","","Kyoko Yamaguchi; Shoko Kume; Kosuke Namiki; Masaki Murata; Naoto Tamai; Hiroshi Nishihara","UV-Vis, NMR, and Time-Resolved Spectroscopy Analysis of Photoisomerization Behavior of Three- and Six-Azobenzene-Bound Tris(bipyridine)cobalt Complexes","Inorganic Chemistry","2005","44","","9056","9067","10.1021/ic0513538","","","0.7107","MoKα","","","0.0634","","","","0.1629","","","","","","1.055","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310122","8.7275","0.0017","9.782","0.002","10.946","0.002","97.94","0.03","90.96","0.03","107.81","0.03","879.4","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","Silver_Mesitylenetrisulfonate","","","- C9 H13 Ag3 O12.5 S3 -","- C9 H13 Ag3 O12.5 S3 -","- C18 H26 Ag6 O25 S6 -","2","2","","Dennis J. Hoffart; Sean A. Dalrymple; George K. H. Shimizu","Structural Constraints in the Design of Silver Sulfonate Coordination Networks: Three New Polysulfonate Open Frameworks","Inorganic Chemistry","2005","44","","8868","8875","10.1021/ic0513888","","","0.71073","MoKα","","0.0227","0.0204","","","0.0545","0.0779","","","","","","1.196","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310123","9.929","0.002","5.088","0.001","19.249","0.004","90","","99.77","0.03","90","","958.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Silver_Durenetetrasulfonate","","","- C10 H16 Ag4 O14 S4 -","- C10 H16 Ag4 O14 S4 -","- C20 H32 Ag8 O28 S8 -","2","0.5","","Dennis J. Hoffart; Sean A. Dalrymple; George K. H. Shimizu","Structural Constraints in the Design of Silver Sulfonate Coordination Networks: Three New Polysulfonate Open Frameworks","Inorganic Chemistry","2005","44","","8868","8875","10.1021/ic0513888","","","0.71073","MoKα","","0.0575","0.0378","","","0.0903","0.1188","","","","","","1.095","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310124","11.462","0.002","6.8727","0.0014","24.986","0.005","90","","98.79","0.03","90","","1945.2","0.7","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Silver_1,3,5,7-Tetra(4-sulfophenyl)adamantane","","","- C34 H28 Ag4 O15.3 S4 -","- C34 H28 Ag4 O15.3 S4 -","- C68 H56 Ag8 O30.6 S8 -","2","0.5","","Dennis J. Hoffart; Sean A. Dalrymple; George K. H. Shimizu","Structural Constraints in the Design of Silver Sulfonate Coordination Networks: Three New Polysulfonate Open Frameworks","Inorganic Chemistry","2005","44","","8868","8875","10.1021/ic0513888","","","0.71073","MoKα","","0.0576","0.0505","","","0.1379","0.1444","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310125","8.723","0.0015","10.2043","0.0019","20.277","0.004","90","","93.818","0.005","90","","1800.9","0.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 La N6 S4 Sb -","- C6 H24 La N6 S4 Sb -","- C24 H96 La4 N24 S16 Sb4 -","4","1","","Dingxian Jia; Qianxin Zhao; Yong Zhang; Jie Dai; Jinglin Zuo","Solvothermal Syntheses of [Ln(en)3(H2O)x(μ3-x-SbS4)] (Ln = La,x= 0; Ln = Nd,x= 1) and [Ln(en)4]SbS4.0.5en (Ln = Eu, Dy, Yb): A Systematic Study on the Formation and Crystal Structures of New Lanthanide Thioantimonates(V)","Inorganic Chemistry","2005","44","","8861","8867","10.1021/ic051402g","","","0.71073","MoKα","","0.0385","0.0358","","","0.0577","0.0583","","","","","","1.324","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310126","9.2634","0.0015","13.418","0.002","14.757","0.002","90","","90","","90","","1834.2","0.5","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H26 N6 Nd O S4 Sb -","- C6 H16 N6 Nd O S4 Sb -","- C24 H64 N24 Nd4 O4 S16 Sb4 -","4","0.5","","Dingxian Jia; Qianxin Zhao; Yong Zhang; Jie Dai; Jinglin Zuo","Solvothermal Syntheses of [Ln(en)3(H2O)x(μ3-x-SbS4)] (Ln = La,x= 0; Ln = Nd,x= 1) and [Ln(en)4]SbS4.0.5en (Ln = Eu, Dy, Yb): A Systematic Study on the Formation and Crystal Structures of New Lanthanide Thioantimonates(V)","Inorganic Chemistry","2005","44","","8861","8867","10.1021/ic051402g","","","0.71073","MoKα","","0.0243","0.0241","","","0.0837","0.0838","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310127","11.047","0.002","12.881","0.002","16.08","0.003","90","","91.931","0.004","90","","2286.8","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H36 Eu N9 S4 Sb -","- C9 H34 Eu N9 S4 Sb -","- C36 H136 Eu4 N36 S16 Sb4 -","4","1","","Dingxian Jia; Qianxin Zhao; Yong Zhang; Jie Dai; Jinglin Zuo","Solvothermal Syntheses of [Ln(en)3(H2O)x(μ3-x-SbS4)] (Ln = La,x= 0; Ln = Nd,x= 1) and [Ln(en)4]SbS4.0.5en (Ln = Eu, Dy, Yb): A Systematic Study on the Formation and Crystal Structures of New Lanthanide Thioantimonates(V)","Inorganic Chemistry","2005","44","","8861","8867","10.1021/ic051402g","","","0.7107","MoKα","","0.0627","0.0514","","","0.0776","0.0799","","","","","","1.304","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310128","11.0395","0.0007","12.8756","0.0008","16.0131","0.0009","90","","92.117","0.002","90","","2274.6","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H36 Dy N9 S4 Sb -","- C9 H30 Dy N9 S4 Sb -","- C36 H120 Dy4 N36 S16 Sb4 -","4","1","","Dingxian Jia; Qianxin Zhao; Yong Zhang; Jie Dai; Jinglin Zuo","Solvothermal Syntheses of [Ln(en)3(H2O)x(μ3-x-SbS4)] (Ln = La,x= 0; Ln = Nd,x= 1) and [Ln(en)4]SbS4.0.5en (Ln = Eu, Dy, Yb): A Systematic Study on the Formation and Crystal Structures of New Lanthanide Thioantimonates(V)","Inorganic Chemistry","2005","44","","8861","8867","10.1021/ic051402g","","","0.71073","MoKα","","0.0306","0.0273","","","0.0585","0.0599","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310129","11.0482","0.0007","12.8801","0.0008","16.0753","0.001","90","","91.966","0.002","90","","2286.2","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H36 N9 S4 Sb Yb -","- C9 H30 N9 S4 Sb Yb -","- C36 H120 N36 S16 Sb4 Yb4 -","4","1","","Dingxian Jia; Qianxin Zhao; Yong Zhang; Jie Dai; Jinglin Zuo","Solvothermal Syntheses of [Ln(en)3(H2O)x(μ3-x-SbS4)] (Ln = La,x= 0; Ln = Nd,x= 1) and [Ln(en)4]SbS4.0.5en (Ln = Eu, Dy, Yb): A Systematic Study on the Formation and Crystal Structures of New Lanthanide Thioantimonates(V)","Inorganic Chemistry","2005","44","","8861","8867","10.1021/ic051402g","","","0.7107","MoKα","","0.0429","0.0397","","","0.0926","0.0945","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310130","9.043","0.002","11.166","0.003","23.368","0.004","96.206","0.016","93.326","0.017","106.806","0.019","2235.6","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","((1-(2',4',6'-triisopropylbiphenyl-2)) (3-(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2')) (triazenido-N,N'))(pentafluorophenyl)europium(II)","","- C51 H52 Eu F5 N3 -","- C51 H52 Eu F5 N3 -","- C102 H104 Eu2 F10 N6 -","2","1","","Sven-Oliver Hauber; Mark Niemeyer","Stabilization of Unsolvated Europium and Ytterbium Pentafluorophenyls by π-Bonding Encapsulation through a Sterically Crowded Triazenido Ligand","Inorganic Chemistry","2005","44","","8644","8646","10.1021/ic0514602","","","0.71073","MoKα","","0.0289","0.0254","","","0.0661","0.0677","","","","","","1.376","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310131","9.077","0.0018","11.114","0.002","23.416","0.005","96.91","0.03","93.71","0.03","106.93","0.03","2231","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","((1-(2',4',6'-triisopropylbiphenyl-2)) (3-(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2')) (triazenido-N,N'))(pentafluorophenyl)ytterbium(II)","","- C51 H52 F5 N3 Yb -","- C51 H52 F5 N3 Yb -","- C102 H104 F10 N6 Yb2 -","2","1","","Sven-Oliver Hauber; Mark Niemeyer","Stabilization of Unsolvated Europium and Ytterbium Pentafluorophenyls by π-Bonding Encapsulation through a Sterically Crowded Triazenido Ligand","Inorganic Chemistry","2005","44","","8644","8646","10.1021/ic0514602","","","0.71073","MoKα","","0.081","0.051","","","0.0928","0.1026","","","","","","1.136","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310132","26.83","0.002","8.968","0.002","17.906","0.002","90","","128.616","0.004","90","","3366.3","0.9","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 N4 O2 S3 -","- C36 H34 N4 O2 S3 -","- C144 H136 N16 O8 S12 -","4","0.5","","Takayoshi Fujii; Mihoko Kanno; Mitsuo Hirata; Teruyoshi Fujimori; Toshiaki Yoshimura","Synthesis and Properties of Ph2S(N(Ph2)S\τbN)2","Inorganic Chemistry","2005","44","","8653","8655","10.1021/ic051523g","","","0.7107","MoKα","","","0.0398","","","","0.0527","","","","","","1.204","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310133","25.685","0.003","13.8498","0.0012","22.0402","0.0018","90","","97.656","0.003","90","","7770.5","1.3","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H39 Cl2 Ni P3 -","- C41 H39 Cl2 Ni P3 -","- C328 H312 Cl16 Ni8 P24 -","8","1","","Mathivathani Kandiah; G. Sean McGrady; Andreas Decken; Peter Sirsch","[(Triphos)Ni(η2-BH4)]: An Unusual Nickel(I) Borohydride Complex","Inorganic Chemistry","2005","44","","8650","8652","10.1021/ic051541y","","x-ray","0.71073","MoKα","","0.0826","0.0405","","","0.0892","0.0982","","","","","","1.021","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310134","20.475","0.002","10.3065","0.0011","16.9806","0.0018","90","","90","","90","","3583.3","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H43 B Ni P3 -","- C41 H43 B Ni P3 -","- C164 H172 B4 Ni4 P12 -","4","1","","Mathivathani Kandiah; G. Sean McGrady; Andreas Decken; Peter Sirsch","[(Triphos)Ni(η2-BH4)]: An Unusual Nickel(I) Borohydride Complex","Inorganic Chemistry","2005","44","","8650","8652","10.1021/ic051541y","","x-ray","0.71073","MoKα","","0.1259","0.0489","","","0.0623","0.0725","","","","","","0.941","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310135","11.857","0.0011","18.6699","0.0018","21.567","0.002","90","","97.999","0.002","90","","4727.8","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 F9 Fe2 N8 O11 S3 -","- C39 H39 F9 Fe2 N8 O11 S3 -","- C156 H156 F36 Fe8 N32 O44 S12 -","4","1","","Ivan V. Korendovych; Sergey V. Kryatov; William M. Reiff; Elena V. Rybak-Akimova","Diiron(II) μ-Aqua-μ-hydroxo Model for Non-Heme Iron Sites in Proteins","Inorganic Chemistry","2005","44","","8656","8658","10.1021/ic051739i","","","0.71073","MoKα","","0.1188","0.0901","","","0.2472","0.2886","","","","","","1.067","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4310136","11.915","0.002","12.453","0.002","20.742","0.004","90","","90","","90","","3077.6","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(IPr)Cu(NHPh)","","- C33 H42 Cu N3 -","- C33 H42 Cu N3 -","- C132 H168 Cu4 N12 -","4","1","","Laurel A. Goj; Elizabeth D. Blue; Colleen Munro-Leighton; T. Brent Gunnoe; Jeffrey L. Petersen","Cleavage of X-H Bonds (X = N, O, or C) by Copper(I) Alkyl Complexes To Form Monomeric Two-Coordinate Copper(I) Systems","Inorganic Chemistry","2005","44","","8647","8649","10.1021/ic0517624","","","0.71073","MoKα","","0.0616","0.0422","","","0.1011","0.1127","","","","","","1.024","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310137","12.8794","0.0011","16.8766","0.0014","14.7796","0.0012","90","","114.442","0.002","90","","2924.6","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(IPr)Cu(OEt)","","- C29 H41 Cu N2 O -","- C29 H41 Cu N2 O -","- C116 H164 Cu4 N8 O4 -","4","1","","Laurel A. Goj; Elizabeth D. Blue; Colleen Munro-Leighton; T. Brent Gunnoe; Jeffrey L. Petersen","Cleavage of X-H Bonds (X = N, O, or C) by Copper(I) Alkyl Complexes To Form Monomeric Two-Coordinate Copper(I) Systems","Inorganic Chemistry","2005","44","","8647","8649","10.1021/ic0517624","","","0.71073","MoKα","","0.1804","0.0662","","","0.1585","0.2072","","","","","","0.974","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310138","10.8186","0.0005","20.9362","0.0011","17.5965","0.0009","90","","107.303","0.001","90","","3805.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex","(IPr)Cu(OPh)","","- C42 H50 Cu N2 O2 -","- C42 H50 Cu N2 O2 -","- C168 H200 Cu4 N8 O8 -","4","1","","Laurel A. Goj; Elizabeth D. Blue; Colleen Munro-Leighton; T. Brent Gunnoe; Jeffrey L. Petersen","Cleavage of X-H Bonds (X = N, O, or C) by Copper(I) Alkyl Complexes To Form Monomeric Two-Coordinate Copper(I) Systems","Inorganic Chemistry","2005","44","","8647","8649","10.1021/ic0517624","","","0.71073","MoKα","","0.0656","0.0453","","","0.1197","0.1346","","","","","","1.013","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310139","10.13","0.002","22.392","0.005","10.637","0.002","90","","93.177","0.003","90","","2409.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 Co N4 O7 -","- C20 H35 Co N4 O7 -","- C80 H140 Co4 N16 O28 -","4","1","","Angela L. Reiff; Eva M. Garcia-Frutos; Jun Mo Gil; Oren P. Anderson; Louis S. Hegedus","Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted Pyridine-Capped Dioxocyclams","Inorganic Chemistry","2005","44","","9162","9174","10.1021/ic050200h","","","0.71073","MoKα","","0.0562","0.0531","","","0.1354","0.1375","","","","","","1.15","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310140","10.5774","0.0016","20.901","0.003","14.663","0.002","90","","104.217","0.003","90","","3142.4","0.8","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H50 Co N5 O7 -","- C31 H50 Co N5 O7 -","- C124 H200 Co4 N20 O28 -","4","1","","Angela L. Reiff; Eva M. Garcia-Frutos; Jun Mo Gil; Oren P. Anderson; Louis S. Hegedus","Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted Pyridine-Capped Dioxocyclams","Inorganic Chemistry","2005","44","","9162","9174","10.1021/ic050200h","","","0.71073","MoKα","","0.0526","0.0462","","","0.1102","0.1132","","","","","","1.028","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310141","10.6644","0.0019","21.732","0.004","14.189","0.003","90","","102.815","0.005","90","","3206.5","1.1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H41 Co N6 O7 -","- C30 H41 Co N6 O7 -","- C120 H164 Co4 N24 O28 -","4","1","","Angela L. Reiff; Eva M. Garcia-Frutos; Jun Mo Gil; Oren P. Anderson; Louis S. Hegedus","Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted Pyridine-Capped Dioxocyclams","Inorganic Chemistry","2005","44","","9162","9174","10.1021/ic050200h","","","0.71073","MoKα","","0.0843","0.0491","","","0.0955","0.107","","","","","","0.973","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310142","39.481","0.008","39.481","0.008","14.574","0.004","90","","90","","120","","19674","8","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C62 H98 Co2 N12 O24 Rh2 -","- C62 H98 Co2 N12 O24 Rh2 -","- C558 H882 Co18 N108 O216 Rh18 -","9","0.5","","Angela L. Reiff; Eva M. Garcia-Frutos; Jun Mo Gil; Oren P. Anderson; Louis S. Hegedus","Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted Pyridine-Capped Dioxocyclams","Inorganic Chemistry","2005","44","","9162","9174","10.1021/ic050200h","","","0.71073","MoKα","","0.1157","0.0715","","","0.1885","0.2167","","","","","","1.095","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310143","12.0984","0.0012","11.8549","0.0012","29.74","0.003","90","","99.127","0.002","90","","4211.5","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H114 Co2 N20 O12 Ru -","- C88 H114 Co2 N20 O12 Ru -","- C176 H228 Co4 N40 O24 Ru2 -","2","0.5","","Angela L. Reiff; Eva M. Garcia-Frutos; Jun Mo Gil; Oren P. Anderson; Louis S. Hegedus","Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted Pyridine-Capped Dioxocyclams","Inorganic Chemistry","2005","44","","9162","9174","10.1021/ic050200h","","","0.71073","MoKα","","0.1327","0.083","","","0.1855","0.209","","","","","","1.109","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310144","14.7441","0.0013","13.4537","0.0012","32.905","0.003","90","","90","","90","","6527.1","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H110 Co2 N12 O15 -","- C59 H110 Co2 N12 O15 -","- C236 H440 Co8 N48 O60 -","4","0.5","","Angela L. Reiff; Eva M. Garcia-Frutos; Jun Mo Gil; Oren P. Anderson; Louis S. Hegedus","Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted Pyridine-Capped Dioxocyclams","Inorganic Chemistry","2005","44","","9162","9174","10.1021/ic050200h","","","0.71073","MoKα","","0.1011","0.0606","","","0.1323","0.1531","","","","","","0.945","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310145","16.167","0.004","11.435","0.003","15.67","0.004","90","","102.626","0.005","90","","2826.9","1.3","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 Co N7 O5 -","- C25 H38 Co N7 O5 -","- C100 H152 Co4 N28 O20 -","4","1","","Angela L. Reiff; Eva M. Garcia-Frutos; Jun Mo Gil; Oren P. Anderson; Louis S. Hegedus","Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted Pyridine-Capped Dioxocyclams","Inorganic Chemistry","2005","44","","9162","9174","10.1021/ic050200h","","","0.71073","MoKα","","0.1351","0.0664","","","0.1511","0.1965","","","","","","1.025","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4310146","18.457","0.006","16.262","0.005","21.388","0.006","90","","90","","90","","6420","3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Cl2 Co N4 O3 S4 -","- C29 H30 Cl2 Co N4 O3 S4 -","- C232 H240 Cl16 Co8 N32 O24 S32 -","8","1","","Benlai Wu; Daqiang Yuan; Benyong Lou; Lei Han; Caiping Liu; Chunxi Zhang; Maochun Hong","Dynamic Formation of Coordination Polymers versus Tetragonal Prisms and Unexpected Magnetic Superexchange Coupling Mediated by Encapsulated Anions in the Cobalt(II) 1,3-Bis(pyrid-4-ylthio)propan-2-one Series","Inorganic Chemistry","2005","44","","9175","9184","10.1021/ic050455v","","","0.71073","MoKα","","0.0677","0.062","","","0.1364","0.1396","","","","","","1.166","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4310147","9.9218","0.0007","13.1236","0.0009","18.0166","0.0016","90","","90","","90","","2345.9","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C19 H26 Cl2 Co N4 O3 S2 -","- C19 H26 Cl2 Co N4 O3 S2 -","- C76 H104 Cl8 Co4 N16 O12 S8 -","4","0.5","","Benlai Wu; Daqiang Yuan; Benyong Lou; Lei Han; Caiping Liu; Chunxi Zhang; Maochun Hong","Dynamic Formation of Coordination Polymers versus Tetragonal Prisms and Unexpected Magnetic Superexchange Coupling Mediated by Encapsulated Anions in the Cobalt(II) 1,3-Bis(pyrid-4-ylthio)propan-2-one Series","Inorganic Chemistry","2005","44","","9175","9184","10.1021/ic050455v","","","0.71073","MoKα","","0.0363","0.0341","","","0.0777","0.0789","","","","","","1.135","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4310148","21.668","0.003","15.8946","0.0015","13.839","0.0015","90","","113.52","0.004","90","","4370.2","0.9","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C61 H81 Cl4 Co2 N9 O12 S8 -","- C61 H52 Cl4 Co2 N9 O12 S8 -","- C122 H104 Cl8 Co4 N18 O24 S16 -","2","0.25","","Benlai Wu; Daqiang Yuan; Benyong Lou; Lei Han; Caiping Liu; Chunxi Zhang; Maochun Hong","Dynamic Formation of Coordination Polymers versus Tetragonal Prisms and Unexpected Magnetic Superexchange Coupling Mediated by Encapsulated Anions in the Cobalt(II) 1,3-Bis(pyrid-4-ylthio)propan-2-one Series","Inorganic Chemistry","2005","44","","9175","9184","10.1021/ic050455v","","","0.71073","MoKα","","0.0909","0.0851","","","0.252","0.2588","","","","","","1.161","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4310149","13.7222","0.0008","15.4895","0.0008","21.8774","0.0014","90","","113.074","0.001","90","","4278","0.4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H94 Br4 Co2 N14 O12 S8 -","- C70 H94 Br4 Co2 N14 O12 S8 -","- C140 H188 Br8 Co4 N28 O24 S16 -","2","0.5","","Benlai Wu; Daqiang Yuan; Benyong Lou; Lei Han; Caiping Liu; Chunxi Zhang; Maochun Hong","Dynamic Formation of Coordination Polymers versus Tetragonal Prisms and Unexpected Magnetic Superexchange Coupling Mediated by Encapsulated Anions in the Cobalt(II) 1,3-Bis(pyrid-4-ylthio)propan-2-one Series","Inorganic Chemistry","2005","44","","9175","9184","10.1021/ic050455v","","","0.71073","MoKα","","0.0496","0.0395","","","0.0938","0.0987","","","","","","1.091","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4310150","8.8125","0.0018","9.1769","0.0018","10.346","0.002","91.86","0.03","113.97","0.03","117.91","0.03","649.4","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H34 O20 Y2 -","- C12 H34 O20 Y2 -","- C12 H34 O20 Y2 -","1","0.5","","Peter Lobinger; Harald Jarzina; Herbert W. Roesky; Sanjay Singh; S. Shravan Kumar; Hans-Georg Schmidt; Matthias Noltemeyer; Herbert C. Freyhardt","New Synthetic Approach to Yttrium Hydroxoacetates, Structural Characterization, and Use as a Precursor for Coated Conductors","Inorganic Chemistry","2005","44","","9192","9196","10.1021/ic0505192","","","0.71073","MoKα","","0.0646","0.0542","","","0.1384","0.1454","","","","","","1.048","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310151","15.857","0.003","16.469","0.003","8.3567","0.0017","90","","115.94","0.03","90","","1962.5","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H20 O13 Y2 -","- C12 H20 O13 Y2 -","- C48 H80 O52 Y8 -","4","1","","Peter Lobinger; Harald Jarzina; Herbert W. Roesky; Sanjay Singh; S. Shravan Kumar; Hans-Georg Schmidt; Matthias Noltemeyer; Herbert C. Freyhardt","New Synthetic Approach to Yttrium Hydroxoacetates, Structural Characterization, and Use as a Precursor for Coated Conductors","Inorganic Chemistry","2005","44","","9192","9196","10.1021/ic0505192","","","0.71073","MoKα","","0.0852","0.0832","","","0.2119","0.2156","","","","","","1.156","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310152","8.5385","0.0006","9.6593","0.0006","9.837","0.0007","103.197","0.001","106.646","0.001","94.001","0.001","748.8","0.09","90","2","90","2","","","","","","","","6","P 1","P 1","1","(DIPMAP)Cu(I)Cl.n-BuCN","","","- C31 H41 Cl Cu N5 O -","- C31 H41 Cl Cu N5 O -","- C31 H41 Cl Cu N5 O -","1","1","","Timothy E. Patten; Christina Troeltzsch; Marilyn M. Olmstead","Copper(I) and -(II) Complexes of Neutral and Deprotonated N-(2,6-Diisopropylphenyl)-3-[bis(2-pyridylmethyl)amino]propanamide","Inorganic Chemistry","2005","44","","9197","9206","10.1021/ic0505697","","","0.71073","MoKα","","0.0277","0.0269","","","0.0725","0.0728","","","","","","1.062","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310153","10.3087","0.0008","22.191","0.002","12.829","0.0009","90","","100.16","0.007","90","","2888.7","0.4","91","2","91","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Li(DIPMAP)Cu(I)Cl]2.2CH3CN","","","- C58 H72 Cl2 Cu2 Li2 N10 O2 -","- C58 H72 Cl2 Cu2 Li2 N10 O2 -","- C116 H144 Cl4 Cu4 Li4 N20 O4 -","2","0.5","","Timothy E. Patten; Christina Troeltzsch; Marilyn M. Olmstead","Copper(I) and -(II) Complexes of Neutral and Deprotonated N-(2,6-Diisopropylphenyl)-3-[bis(2-pyridylmethyl)amino]propanamide","Inorganic Chemistry","2005","44","","9197","9206","10.1021/ic0505697","","","0.71073","MoKα","","0.0747","0.0391","","","0.0838","0.0982","","","","","","0.999","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310154","18.948","0.003","16.282","0.003","17.272","0.003","90","","112.815","0.004","90","","4911.7","1.5","92","2","92","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(DIPMAP)Cu(I)]2","","","- C54 H66 Cu2 N8 O2 -","- C54 H66 Cu2 N8 O2 -","- C216 H264 Cu8 N32 O8 -","4","0.5","","Timothy E. Patten; Christina Troeltzsch; Marilyn M. Olmstead","Copper(I) and -(II) Complexes of Neutral and Deprotonated N-(2,6-Diisopropylphenyl)-3-[bis(2-pyridylmethyl)amino]propanamide","Inorganic Chemistry","2005","44","","9197","9206","10.1021/ic0505697","","","0.71073","MoKα","","0.059","0.0366","","","0.0888","0.1014","","","","","","1.051","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310155","22.46","0.003","8.8356","0.001","29.944","0.003","90","","111.318","0.002","90","","5535.7","1.1","91","2","91","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu(DIPMAP)Br]Br.0.175H2O","","","- C27 H34.45 Br2 Cu N4 O1.17 -","- C27 H34 Br2 Cu N4 O1.175 -","- C216 H272 Br16 Cu8 N32 O9.4 -","8","2","","Timothy E. Patten; Christina Troeltzsch; Marilyn M. Olmstead","Copper(I) and -(II) Complexes of Neutral and Deprotonated N-(2,6-Diisopropylphenyl)-3-[bis(2-pyridylmethyl)amino]propanamide","Inorganic Chemistry","2005","44","","9197","9206","10.1021/ic0505697","","","0.71073","MoKα","","0.1364","0.0493","","","0.0869","0.1026","","","","","","0.803","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310156","14.815","0.001","22.851","0.001","25.554","0.001","90","","90","","90","","8651","0.8","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48.5 H41 Cl Mn O3 P3 S2 -","- C48 H40 Mn O3 P3 S2 -","- C384 H320 Mn8 O24 P24 S16 -","8","1","","Marjolaine Doux; Nicolas Mézailles; Louis Ricard; Pascal Le Floch; Pedro D. Vaz; Maria José Calhorda; Taasje Mahabiersing; František Hartl","Syntheses, X-ray Structures, Photochemistry, Redox Properties, and DFT Calculations of Interconvertible fac- and mer-[Mn(SPS)(CO)3] Isomers Containing a Flexible SPS-Based Pincer Ligand","Inorganic Chemistry","2005","44","","9213","9224","10.1021/ic050774m","","","0.71069","MoKα","","0.0665","0.0468","","","0.13","0.1394","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310157","10.374","0.001","9.324","0.001","22.076","0.001","90","","91.734","0.001","90","","2134.4","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H40 Mn O3 P3 S2 -","- C48 H40 Mn O3 P3 S2 -","- C96 H80 Mn2 O6 P6 S4 -","2","1","","Marjolaine Doux; Nicolas Mézailles; Louis Ricard; Pascal Le Floch; Pedro D. Vaz; Maria José Calhorda; Taasje Mahabiersing; František Hartl","Syntheses, X-ray Structures, Photochemistry, Redox Properties, and DFT Calculations of Interconvertible fac- and mer-[Mn(SPS)(CO)3] Isomers Containing a Flexible SPS-Based Pincer Ligand","Inorganic Chemistry","2005","44","","9213","9224","10.1021/ic050774m","","","0.71069","MoKα","","0.076","0.0507","","","0.1002","0.1152","","","","","","1.087","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4310158","11.028","0.019","11.16","0.03","7.678","0.013","90","","103.3","0.05","90","","920","3","223.2","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H18 Cu N2 O6 -","- C22 H16 Cu N2 O6.2 -","- C44 H32 Cu2 N4 O12.4 -","2","0.5","","Tapas Kumar Maji; Masaaki Ohba; Susumu Kitagawa","Transformation from a 2D Stacked Layer to 3D Interpenetrated Framework by Changing the Spacer Functionality: Synthesis, Structure, Adsorption, and Magnetic Properties","Inorganic Chemistry","2005","44","","9225","9231","10.1021/ic050835g","","","0.7107","MoKα","","","0.0751","","","","0.1226","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310159","10.613","0.004","10.828","0.01","13.333","0.009","85.25","0.09","82.59","0.06","60.37","0.05","1320.4","1.7","283.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cu N3 O5 -","- C30 H24 Cu N3 O5 -","- C60 H48 Cu2 N6 O10 -","2","1","","Tapas Kumar Maji; Masaaki Ohba; Susumu Kitagawa","Transformation from a 2D Stacked Layer to 3D Interpenetrated Framework by Changing the Spacer Functionality: Synthesis, Structure, Adsorption, and Magnetic Properties","Inorganic Chemistry","2005","44","","9225","9231","10.1021/ic050835g","","","0.7107","MoKα","","","0.0427","","","","0.0633","","","","","","1.443","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310160","10.8881","0.0008","19.3511","0.0014","9.9524","0.0007","90","","90","","90","","2096.9","0.3","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H16 As2 Cl2 S4 -","- C16 H16 As2 Cl2 S4 -","- C64 H64 As8 Cl8 S16 -","4","0.5","","W. Jake Vickaryous; Elisabeth Rather Healey; Orion B. Berryman; Darren W. Johnson","Synthesis and Characterization of Two Isomeric, Self-Assembled Arsenic-Thiolate Macrocycles","Inorganic Chemistry","2005","44","","9247","9252","10.1021/ic050954w","","","0.71073","MoKα","","0.082","0.0629","","","0.1582","0.169","","","","","","1.166","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4310161","10.6194","0.0005","16.778","0.0009","8.5725","0.0004","90","","100.683","0.001","90","","1500.91","0.13","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 As4 Cl8 S4 -","- C16 H16 As4 Cl8 S4 -","- C32 H32 As8 Cl16 S8 -","2","0.5","","W. Jake Vickaryous; Elisabeth Rather Healey; Orion B. Berryman; Darren W. Johnson","Synthesis and Characterization of Two Isomeric, Self-Assembled Arsenic-Thiolate Macrocycles","Inorganic Chemistry","2005","44","","9247","9252","10.1021/ic050954w","","","0.71073","MoKα","","0.032","0.0264","","","0.067","0.0693","","","","","","1.034","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310162","13.277","0.006","14.323","0.007","11.328","0.006","90","","111.73","0.02","90","","2001.1","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N Na O8 Zn -","- C18 H8 N Na O8 Zn -","- C72 H32 N4 Na4 O32 Zn4 -","4","0.5","","Jianghua He; Jihong Yu; Yuetao Zhang; Qinhe Pan; Ruren Xu","Synthesis, Structure, and Luminescent Property of a Heterometallic Metal-Organic Framework Constructed from Rod-Shaped Secondary Building Blocks","Inorganic Chemistry","2005","44","","9279","9282","10.1021/ic051143v","","","0.71073","MoKα","","0.0466","0.0427","","","0.1083","0.1111","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310163","14.257","0.007","4.564","0.002","12.376","0.007","90","","93.979","0.006","90","","803.4","0.7","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ca6 Cu2 Sn7 -","- Ca6 Cu2 Sn7 -","- Ca12 Cu4 Sn14 -","2","0.25","","Zhong-Ming Sun; Sheng-Qing Xia; Yi-Zhi Huang; Li-Ming Wu; Jiang-Gao Mao","Ca6Cu2Sn7: Novel 3D Open Framework with Unusual Sn4 Tetramers","Inorganic Chemistry","2005","44","","9242","9246","10.1021/ic051164p","","","0.71073","MoKα","","0.0308","0.0254","","","0.0606","0.0624","","","","","","1.027","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310164","44.979","0.006","13.4637","0.0018","23.867","0.003","90","","107.803","0.003","90","","13761","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70.5 H73.5 Cl1.5 N6 O8.5 Y -","- C70.5 H68.5 Cl1.5 N6 O8.5 Y -","- C564 H548 Cl12 N48 O68 Y8 -","8","1","","Luca Maretti; Saiful S. M. Islam; Yasunori Ohba; Takashi Kajiwara; Seigo Yamauchi","Novel Excited Quintet State in Porphyrin: Bis(quinoline-TEMPO)-yttrium-tetraphenylporphine Complex","Inorganic Chemistry","2005","44","","9125","9127","10.1021/ic0511827","","","0.71073","MoKα","","0.1815","0.0732","","","0.1698","0.1984","","","","","","0.835","","","","has coordinates,has disorder","288183","2023-12-08","14:42:54",""
"4310165","20.4076","0.0014","17.5345","0.0017","20.0717","0.0013","90","","102.204","0.008","90","","7020.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H75 B2 Fe N9 -","- C84 H75 B2 Fe N9 -","- C336 H300 B8 Fe4 N36 -","4","1","","Shinobu Arata; Haruna Torigoe; Tomotaka Iihoshi; Naohide Matsumoto; Françoise Dahan; Jean-Pierre Tuchagues","NH/π Interaction in a Spin-Crossover Complex [FeII(HLMe)2](BPh4)2.2CH3CN (BPh4-= Tetraphenylborate; HLMe= 2-Methylimidazol-4-yl-methylideneamino-2-ethylpyridine)","Inorganic Chemistry","2005","44","","9288","9292","10.1021/ic051215i","","","0.71073","MoKα","","0.0732","0.0379","","","0.0759","0.0853","","","","","","0.814","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310166","19.7613","0.0018","13.747","0.001","22.652","0.002","90","","98.622","0.01","90","","6084.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 B2 Fe N8 O -","- C70 H64 B2 Fe N8 O -","- C280 H256 B8 Fe4 N32 O4 -","4","1","","Shinobu Arata; Haruna Torigoe; Tomotaka Iihoshi; Naohide Matsumoto; Françoise Dahan; Jean-Pierre Tuchagues","NH/π Interaction in a Spin-Crossover Complex [FeII(HLMe)2](BPh4)2.2CH3CN (BPh4-= Tetraphenylborate; HLMe= 2-Methylimidazol-4-yl-methylideneamino-2-ethylpyridine)","Inorganic Chemistry","2005","44","","9288","9292","10.1021/ic051215i","","","0.71073","MoKα","","0.0572","0.0376","","","0.0542","0.0584","","","","","","0.814","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310167","12.9932","0.0013","22.873","0.002","11.571","0.0007","96.821","0.01","105.182","0.01","97.599","0.012","3247.1","0.5","260","2","260","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H74 B2 Fe N10 -","- C76 H74 B2 Fe N10 -","- C152 H148 B4 Fe2 N20 -","2","1","","Shinobu Arata; Haruna Torigoe; Tomotaka Iihoshi; Naohide Matsumoto; Françoise Dahan; Jean-Pierre Tuchagues","NH/π Interaction in a Spin-Crossover Complex [FeII(HLMe)2](BPh4)2.2CH3CN (BPh4-= Tetraphenylborate; HLMe= 2-Methylimidazol-4-yl-methylideneamino-2-ethylpyridine)","Inorganic Chemistry","2005","44","","9288","9292","10.1021/ic051215i","","","0.71073","MoKα","","0.0632","0.0366","","","0.0528","0.0924","","","","","","0.771","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4310168","12.9678","0.0012","22.231","0.002","11.3416","0.0007","95.26","0.009","103.596","0.01","96.039","0.012","3137.4","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H74 B2 Fe N10 -","- C76 H74 B2 Fe N10 -","- C152 H148 B4 Fe2 N20 -","2","1","","Shinobu Arata; Haruna Torigoe; Tomotaka Iihoshi; Naohide Matsumoto; Françoise Dahan; Jean-Pierre Tuchagues","NH/π Interaction in a Spin-Crossover Complex [FeII(HLMe)2](BPh4)2.2CH3CN (BPh4-= Tetraphenylborate; HLMe= 2-Methylimidazol-4-yl-methylideneamino-2-ethylpyridine)","Inorganic Chemistry","2005","44","","9288","9292","10.1021/ic051215i","","","0.71073","MoKα","","0.0603","0.0349","","","0.0485","0.0615","","","","","","0.784","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310169","6.3628","0.0002","12.0069","0.0003","18.6764","0.0004","90","","108.274","0.0012","90","","1354.87","0.06","150","","150","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Mn N3 O10 -","- C26 H34 Mn N3 O10 -","- C52 H68 Mn2 N6 O20 -","2","0.5","","Meenal D. Godbole; Anna C. G. Hotze; Ronald Hage; Allison M. Mills; Huub Kooijman; Anthony L. Spek; Elisabeth Bouwman","Stereochemical Influence of the Ligand on the Structure of Manganese Complexes: Implications for Catalytic Epoxidations","Inorganic Chemistry","2005","44","","9253","9266","10.1021/ic051223z","","x-ray","0.71073","MoKα","","0.0596","0.0456","","","0.1155","0.1237","","","","","","1.028","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310170","10.7855","0.0001","9.6873","0.0001","11.8322","0.0002","90","","109.417","0.0006","90","","1165.94","0.03","150","","150","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C22 H20 Br Mn N2 O8 -","- C22 H20 Br Mn N2 O8 -","- C44 H40 Br2 Mn2 N4 O16 -","2","1","","Meenal D. Godbole; Anna C. G. Hotze; Ronald Hage; Allison M. Mills; Huub Kooijman; Anthony L. Spek; Elisabeth Bouwman","Stereochemical Influence of the Ligand on the Structure of Manganese Complexes: Implications for Catalytic Epoxidations","Inorganic Chemistry","2005","44","","9253","9266","10.1021/ic051223z","","x-ray","0.71073","MoKα","","0.0413","0.0307","","","0.0688","0.0728","","","","","","1.051","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310171","12.057","0.002","12.321","0.002","15.871","0.002","90","","107.89","0.02","90","","2243.7","0.6","150","","150","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Br Mn N2 O8 -","- C22 H20 Br Mn N2 O8 -","- C88 H80 Br4 Mn4 N8 O32 -","4","0.5","","Meenal D. Godbole; Anna C. G. Hotze; Ronald Hage; Allison M. Mills; Huub Kooijman; Anthony L. Spek; Elisabeth Bouwman","Stereochemical Influence of the Ligand on the Structure of Manganese Complexes: Implications for Catalytic Epoxidations","Inorganic Chemistry","2005","44","","9253","9266","10.1021/ic051223z","","x-ray","0.71073","MoKα","","0.0329","0.0274","","","0.0745","0.0781","","","","","","1.084","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310172","11.4525","0.0002","8.9955","0.0001","13.233","0.0003","90","","91.6743","0.0007","90","","1362.69","0.04","150","","150","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C24 H26 Cl Mn N2 O13 -","- C24 H26 Cl Mn N2 O13 -","- C48 H52 Cl2 Mn2 N4 O26 -","2","1","","Meenal D. Godbole; Anna C. G. Hotze; Ronald Hage; Allison M. Mills; Huub Kooijman; Anthony L. Spek; Elisabeth Bouwman","Stereochemical Influence of the Ligand on the Structure of Manganese Complexes: Implications for Catalytic Epoxidations","Inorganic Chemistry","2005","44","","9253","9266","10.1021/ic051223z","","x-ray","0.71073","MoKα","","0.0682","0.041","","","0.074","0.0815","","","","","","1","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310173","11.2381","0.001","17.736","0.002","24.809","0.003","90","","90","","90","","4944.9","0.9","150","","150","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Mn N3 O8 -","- C24 H26 Mn N3 O8 -","- C192 H208 Mn8 N24 O64 -","8","2","","Meenal D. Godbole; Anna C. G. Hotze; Ronald Hage; Allison M. Mills; Huub Kooijman; Anthony L. Spek; Elisabeth Bouwman","Stereochemical Influence of the Ligand on the Structure of Manganese Complexes: Implications for Catalytic Epoxidations","Inorganic Chemistry","2005","44","","9253","9266","10.1021/ic051223z","","x-ray","0.71073","MoKα","","0.0538","0.0392","","","0.0863","0.0917","","","","","","1.034","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310174","11.5262","0.0017","11.5262","0.0017","5.5308","0.0015","90","","90","","90","","734.8","0.3","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cl4 Cu4 S4 W -","- Cl4 Cu4 S4 W -","- Cl16 Cu16 S16 W4 -","4","0.125","","Ya Cai; Yan Wang; Yizhi Li; Xiaoshu Wang; Xinquan Xin; Caiming Liu; Hegen Zheng","New Skeletal 3D Polymeric Inorganic Cluster [W4S16Cu16Cl16]n with Cu in Mixed-Valence States: Solid-State Synthesis, Crystal Structure, and Third-Order Nonlinear Optical Properties","Inorganic Chemistry","2005","44","","9128","9130","10.1021/ic051230n","","","0.71073","MoKα","","0.0683","0.0534","","","0.1245","0.1289","","","","","","1.031","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310175","15.2487","0.0009","10.7799","0.0006","32.9759","0.0019","90","","101.649","0.001","90","","5308.9","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 B N4 P Rh -","- C30 H35 B N4 P Rh -","- C240 H280 B8 N32 P8 Rh8 -","8","1","","Miguel A. Casado; Verena Hack; José A. Camerano; Miguel A. Ciriano; Cristina Tejel; Luis A. Oro","Unprecedented Hybrid Scorpionate/Phosphine Ligand Able To Be Anchored to Carbosilane Dendrimers","Inorganic Chemistry","2005","44","","9122","9124","10.1021/ic051279t","","","0.71073","MoKα","","0.0398","0.0309","","","0.062","0.064","","","","","","0.983","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310176","9.434","0.005","16.963","0.005","13.99","0.005","90","0.005","104.903","0.005","90","0.005","2163.5","1.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C29 H59 Al3 Cl4 Mg3 O10 -","- C29 H59 Al3 Cl4 Mg3 O10 -","- C58 H118 Al6 Cl8 Mg6 O20 -","2","0.5","","Łukasz John; Józef Utko; Lucjan B. Jerzykiewicz; Piotr Sobota","Structural Characterization of a Methylaluminoxane (MAO)-Magnesium Dichloride Cluster: Model of MAO Grafted onto a MgCl2 Support","Inorganic Chemistry","2005","44","","9131","9133","10.1021/ic051441s","","","0.71073","MoKα","","0.0727","0.0577","","","0.1493","0.1576","","","","","","1.046","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310177","11.515","0.0013","14.0098","0.0016","15.6716","0.0018","65.817","0.002","72.985","0.002","89.584","0.003","2186.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H118 Co2 F6 N10 O12 S2 -","- C84 H118 Co2 F6 N10 O12 S2 -","- C84 H118 Co2 F6 N10 O12 S2 -","1","0.5","","Hisashi Shimakoshi; Hiroki Takemoto; Isao Aritome; Yoshio Hisaeda","Redox-Switchable Molecular Containers Consisting of Dicobalt Complexes","Inorganic Chemistry","2005","44","","9134","9136","10.1021/ic051482o","","","0.71073","MoKα","","0.1099","0.0713","","","0.1895","0.2136","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310178","16.5413","0.0012","16.6742","0.0013","18.2228","0.0013","90","","105.615","0.002","90","","4840.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H134 Cl2 Co2 N14 O22 -","- C88 H134 Cl2 Co2 N14 O22 -","- C176 H268 Cl4 Co4 N28 O44 -","2","0.5","","Hisashi Shimakoshi; Hiroki Takemoto; Isao Aritome; Yoshio Hisaeda","Redox-Switchable Molecular Containers Consisting of Dicobalt Complexes","Inorganic Chemistry","2005","44","","9134","9136","10.1021/ic051482o","","","0.71073","MoKα","","0.0856","0.0678","","","0.1607","0.175","","","","","","1.037","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4310179","16.8244","0.0014","15.2484","0.0012","17.1435","0.0014","90","","98.75","0.001","90","","4346.9","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Cl4 N2 O4 S2 U -","- C36 H54.8 Cl4 N2 O4 S2 U -","- C144 H219.2 Cl16 N8 O16 S8 U4 -","4","1","","Shanmugaperumal Kannan; Charles L. Barnes; Paul B. Duval","Synthesis and Structural Characterization of a Uranyl(VI) Complex Possessing Unsupported Unidentate Thiolate Ligands","Inorganic Chemistry","2005","44","","9137","9139","10.1021/ic0517117","","","0.71073","MoKα","","0.0354","0.0221","","","0.0466","0.0511","","","","","","1.041","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4310180","11.1787","0.0019","16.313","0.003","15.209","0.002","90","","113.658","0.01","90","","2540.4","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H3 F27 Mo N2 O3 -","- C14 H3 F27 Mo N2 O3 -","- C56 H12 F108 Mo4 N8 O12 -","4","1","","Robyn L. Gdula; Marc J. A. Johnson; Nathan W. Ockwig","Nitrogen-Atom Exchange Mediated by Nitrido Complexes of Molybdenum","Inorganic Chemistry","2005","44","","9140","9142","10.1021/ic051859q","","","0.71073","MoKα","","0.0547","0.0498","","","0.1379","0.1428","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4310181","5.1323","0.0007","15.942","0.002","16.798","0.002","90","","95.974","0.003","90","","1366.9","0.3","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C F3 N O2 S -","- C F3 N O2 S -","- C12 F36 N12 O24 S12 -","12","3","","Roland Boese; Edgardo H. Cutin; Rüdiger Mews; Norma L. Robles; Carlos O. Della Védova","((Fluoroformyl)imido)sulfuryl Difluoride, FC(O)NS(O)F2: Structural, Conformational, and Configurational Properties in the Gaseous and Condensed Phases","Inorganic Chemistry","2005","44","","9660","9666","10.1021/ic050808q","","","0.71073","MoKα","","0.029","0.0249","","","0.0685","0.0723","","","","","","1.034","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310182","10.06","0.008","10.676","0.008","11.793","0.01","90.987","0.008","110.287","0.011","94.56","0.009","1182.9","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H40 Cu2 N4 O10 -","- C58 H40 Cu2 N4 O10 -","- C58 H40 Cu2 N4 O10 -","1","0.5","","Xian-He Bu; Ming-Liang Tong; Ya-Bo Xie; Jian-Rong Li; Ho-Chol Chang; Susumu Kitagawa; Joan Ribas","Synthesis, Structures, and Magnetic Properties of the Copper(II), Cobalt(II), and Manganese(II) Complexes with 9-Acridinecarboxylate and 4-Quinolinecarboxylate Ligands","Inorganic Chemistry","2005","44","","9837","9846","10.1021/ic050886d","","","0.71073","MoKα","","0.0617","0.0497","","","0.1298","0.1333","","","","","","1.003","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310183","19.99","0.002","19.99","0.002","19.99","0.002","90","","90","","90","","7988","1.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H78 Cu3 N6 O21 -","- C90 H72 Cu3 N6 O21 -","- C360 H288 Cu12 N24 O84 -","4","0.166667","","Xian-He Bu; Ming-Liang Tong; Ya-Bo Xie; Jian-Rong Li; Ho-Chol Chang; Susumu Kitagawa; Joan Ribas","Synthesis, Structures, and Magnetic Properties of the Copper(II), Cobalt(II), and Manganese(II) Complexes with 9-Acridinecarboxylate and 4-Quinolinecarboxylate Ligands","Inorganic Chemistry","2005","44","","9837","9846","10.1021/ic050886d","","","0.71073","MoKα","","0.1508","0.124","","","0.218","0.2292","","","","","","1.372","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310184","20.205","0.002","20.205","0.002","20.205","0.002","90","","90","","90","","8248.5","1.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H78 Mn3 N6 O21 -","- C90 H72 Mn3 N6 O21 -","- C360 H288 Mn12 N24 O84 -","4","0.166667","","Xian-He Bu; Ming-Liang Tong; Ya-Bo Xie; Jian-Rong Li; Ho-Chol Chang; Susumu Kitagawa; Joan Ribas","Synthesis, Structures, and Magnetic Properties of the Copper(II), Cobalt(II), and Manganese(II) Complexes with 9-Acridinecarboxylate and 4-Quinolinecarboxylate Ligands","Inorganic Chemistry","2005","44","","9837","9846","10.1021/ic050886d","","","0.71073","MoKα","","0.0603","0.0559","","","0.1364","0.139","","","","","","1.323","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310185","20.007","0.003","20.007","0.003","20.007","0.003","90","","90","","90","","8008","2","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H78 Co3 N6 O21 -","- C90 H72 Co3 N6 O21 -","- C360 H288 Co12 N24 O84 -","4","0.166667","","Xian-He Bu; Ming-Liang Tong; Ya-Bo Xie; Jian-Rong Li; Ho-Chol Chang; Susumu Kitagawa; Joan Ribas","Synthesis, Structures, and Magnetic Properties of the Copper(II), Cobalt(II), and Manganese(II) Complexes with 9-Acridinecarboxylate and 4-Quinolinecarboxylate Ligands","Inorganic Chemistry","2005","44","","9837","9846","10.1021/ic050886d","","","0.71073","MoKα","","0.0572","0.0492","","","0.1244","0.1289","","","","","","1.178","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310186","13.61","0.03","10.895","0.019","13.23","0.03","90","","117.39","0.04","90","","1742","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cu N2 O4 -","- C20 H12 Cu N2 O4 -","- C80 H48 Cu4 N8 O16 -","4","0.5","","Xian-He Bu; Ming-Liang Tong; Ya-Bo Xie; Jian-Rong Li; Ho-Chol Chang; Susumu Kitagawa; Joan Ribas","Synthesis, Structures, and Magnetic Properties of the Copper(II), Cobalt(II), and Manganese(II) Complexes with 9-Acridinecarboxylate and 4-Quinolinecarboxylate Ligands","Inorganic Chemistry","2005","44","","9837","9846","10.1021/ic050886d","","","0.71073","MoKα","","0.037","0.0336","","","0.0787","0.0817","","","","","","1.101","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310187","15.08","0.05","14.39","0.03","7.71","0.02","90","","92.42","0.11","90","","1672","8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Mn N2 O5 -","- C20 H14 Mn N2 O5 -","- C80 H56 Mn4 N8 O20 -","4","0.5","","Xian-He Bu; Ming-Liang Tong; Ya-Bo Xie; Jian-Rong Li; Ho-Chol Chang; Susumu Kitagawa; Joan Ribas","Synthesis, Structures, and Magnetic Properties of the Copper(II), Cobalt(II), and Manganese(II) Complexes with 9-Acridinecarboxylate and 4-Quinolinecarboxylate Ligands","Inorganic Chemistry","2005","44","","9837","9846","10.1021/ic050886d","","","0.71073","MoKα","","0.0847","0.0604","","","0.1439","0.162","","","","","","1.147","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310188","14.926","0.005","14.42","0.02","7.529","0.003","90","","92.33","0.03","90","","1619","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Co N2 O5 -","- C20 H14 Co N2 O5 -","- C80 H56 Co4 N8 O20 -","4","0.5","","Xian-He Bu; Ming-Liang Tong; Ya-Bo Xie; Jian-Rong Li; Ho-Chol Chang; Susumu Kitagawa; Joan Ribas","Synthesis, Structures, and Magnetic Properties of the Copper(II), Cobalt(II), and Manganese(II) Complexes with 9-Acridinecarboxylate and 4-Quinolinecarboxylate Ligands","Inorganic Chemistry","2005","44","","9837","9846","10.1021/ic050886d","","","0.71073","MoKα","","0.0529","0.0392","","","0.0878","0.1068","","","","","","1.091","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310189","21.336","0.005","10.3805","0.0019","22.577","0.005","90","","90","","90","","5000.3","1.9","298","2","298","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C20 H11 F3 N2 O6 P Re S -","- C20 H11 F3 N2 O6 P Re S -","- C160 H88 F24 N16 O48 P8 Re8 S8 -","8","2","","Sean E. Hightower; Robert C. Corcoran; B. Patrick Sullivan","Unusual, Bifurcated Photoreactivity of a Rhenium(I) Carbonyl Complex of Triethynylphosphine","Inorganic Chemistry","2005","44","","9601","9603","10.1021/ic050901e","","","0.71073","MoKα","","0.0566","0.041","","","0.0962","0.105","","","","","","1.046","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310190","11.789","0.0007","13.1284","0.0007","21.3695","0.0012","90","","91.779","0.001","90","","3305.8","0.3","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H39 Cl N P Pd -","- C36 H39 Cl N P Pd -","- C144 H156 Cl4 N4 P4 Pd4 -","4","2","","Joseph Kok-Peng Ng; Yongxin Li; Geok-Kheng Tan; Lip-Lin Koh; Jagadese J. Vittal; Pak-Hing Leung","Stereochemical Investigations of a Novel Class of Chiral Phosphapalladacycle Complexes Derived from 1-[(2,5-Dimethyl)phenyl]ethyldiphenylphosphine","Inorganic Chemistry","2005","44","","9874","9886","10.1021/ic0509579","","","0.71073","MoKα","","0.0485","0.0424","","","0.0773","0.0791","","","","","","1.017","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310191","8.7896","0.0005","8.9429","0.0005","15.3868","0.0009","106.312","0.001","93.113","0.001","113.116","0.001","1048.87","0.1","223","2","223","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H46 Cl4 P2 Pd2 -","- C44 H46 Cl4 P2 Pd2 -","- C44 H46 Cl4 P2 Pd2 -","1","1","","Joseph Kok-Peng Ng; Yongxin Li; Geok-Kheng Tan; Lip-Lin Koh; Jagadese J. Vittal; Pak-Hing Leung","Stereochemical Investigations of a Novel Class of Chiral Phosphapalladacycle Complexes Derived from 1-[(2,5-Dimethyl)phenyl]ethyldiphenylphosphine","Inorganic Chemistry","2005","44","","9874","9886","10.1021/ic0509579","","","0.71073","MoKα","","0.0466","0.0374","","","0.0795","0.0825","","","","","","0.94","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310192","9.588","0.0007","26.56","0.002","9.5467","0.0007","90","","90","","90","","2431.1","0.3","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H29 O2 P Pd -","- C27 H29 O2 P Pd -","- C108 H116 O8 P4 Pd4 -","4","1","","Joseph Kok-Peng Ng; Yongxin Li; Geok-Kheng Tan; Lip-Lin Koh; Jagadese J. Vittal; Pak-Hing Leung","Stereochemical Investigations of a Novel Class of Chiral Phosphapalladacycle Complexes Derived from 1-[(2,5-Dimethyl)phenyl]ethyldiphenylphosphine","Inorganic Chemistry","2005","44","","9874","9886","10.1021/ic0509579","","","0.71073","MoKα","","0.0585","0.0449","","","0.0838","0.0883","","","","","","1.029","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310193","12.649","0.011","12.067","0.01","13.869","0.013","90","","107.14","0.02","90","","2023","3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 Cl2 P2 Pd2 -","- C44 H44 Cl2 P2 Pd2 -","- C88 H88 Cl4 P4 Pd4 -","2","0.5","","Joseph Kok-Peng Ng; Yongxin Li; Geok-Kheng Tan; Lip-Lin Koh; Jagadese J. Vittal; Pak-Hing Leung","Stereochemical Investigations of a Novel Class of Chiral Phosphapalladacycle Complexes Derived from 1-[(2,5-Dimethyl)phenyl]ethyldiphenylphosphine","Inorganic Chemistry","2005","44","","9874","9886","10.1021/ic0509579","","","0.71073","MoKα","","0.0457","0.0352","","","0.0794","0.0841","","","","","","1.001","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310194","12.439","","8.941","","9.321","","90","","90.88","","90","","1036.53","","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 Fe0.5 N7 S -","- C7 H8 Fe0.5 N7 S -","- C28 H32 Fe2 N28 S4 -","4","1","","Yann Garcia; Georges Bravic; Christine Gieck; Daniel Chasseau; Wolfgang Tremel; Philipp Gütlich","Crystal Structure, Magnetic Properties, and 57Fe Mössbauer Spectroscopy of the Two-Dimensional Coordination Polymers [M(1,2-bis(1,2,4-triazol-4-yl)ethane)2(NCS)2] (MII= Fe, Co)","Inorganic Chemistry","2005","44","","9723","9730","10.1021/ic050971l","","","0.71069","MoKα","","0.066","0.036","","0.123","0.097","","","","0.832","0.918","0.918","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310195","12.444","","8.906","","9.313","","90","","90.26","","90","","1032.11","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 Co0.5 N7 S -","- C7 H8 Co0.5 N7 S -","- C28 H32 Co2 N28 S4 -","4","1","","Yann Garcia; Georges Bravic; Christine Gieck; Daniel Chasseau; Wolfgang Tremel; Philipp Gütlich","Crystal Structure, Magnetic Properties, and 57Fe Mössbauer Spectroscopy of the Two-Dimensional Coordination Polymers [M(1,2-bis(1,2,4-triazol-4-yl)ethane)2(NCS)2] (MII= Fe, Co)","Inorganic Chemistry","2005","44","","9723","9730","10.1021/ic050971l","","","0.71073","MoKα","","0.0941","0.0429","","","0.0859","0.1005","","","","","","0.964","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310196","9.6392","0.0003","11.121","0.0004","12.2659","0.0002","112.537","0.0016","102.68","0.0017","97.6174","0.0014","1150.07","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Mn2 O6 S4 -","- C20 H12 Mn2 O6 S4 -","- C40 H24 Mn4 O12 S8 -","2","1","","Noorjahan Begum; Md. Iqbal Hyder; Shariff E. Kabir; G. M. Golzar Hossain; Ebbe Nordlander; Dalia Rokhsana; Edward Rosenberg","Dithiolate Complexes of Manganese and Rhenium: X-ray Structure and Properties of an Unusual Mixed Valence Cluster Mn3(CO)6(μ-η2-SCH2CH2CH2S)3","Inorganic Chemistry","2005","44","","9887","9894","10.1021/ic050987b","","","0.71073","MoKα","","0.0485","0.0371","","","0.0927","0.0983","","","","","","1.06","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310197","9.894","0.003","11.157","0.003","12.166","0.004","112.34","0.03","102.53","0.02","97.69","0.02","1177.3","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 O6 Re2 S4 -","- C20 H12 O6 Re2 S4 -","- C40 H24 O12 Re4 S8 -","2","1","","Noorjahan Begum; Md. Iqbal Hyder; Shariff E. Kabir; G. M. Golzar Hossain; Ebbe Nordlander; Dalia Rokhsana; Edward Rosenberg","Dithiolate Complexes of Manganese and Rhenium: X-ray Structure and Properties of an Unusual Mixed Valence Cluster Mn3(CO)6(μ-η2-SCH2CH2CH2S)3","Inorganic Chemistry","2005","44","","9887","9894","10.1021/ic050987b","","","0.71073","MoKα","","0.0363","0.031","","","0.0834","0.0853","","","","","","1.057","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310198","14.757","0.002","14.757","0.002","10.72","0.002","90","","90","","90","","2334.5","0.6","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C15 H18 Mn3 O6 S6 -","- C15 H18 Mn3 O6 S6 -","- C60 H72 Mn12 O24 S24 -","4","0.5","","Noorjahan Begum; Md. Iqbal Hyder; Shariff E. Kabir; G. M. Golzar Hossain; Ebbe Nordlander; Dalia Rokhsana; Edward Rosenberg","Dithiolate Complexes of Manganese and Rhenium: X-ray Structure and Properties of an Unusual Mixed Valence Cluster Mn3(CO)6(μ-η2-SCH2CH2CH2S)3","Inorganic Chemistry","2005","44","","9887","9894","10.1021/ic050987b","","","0.71073","MoKα","","0.031","0.0302","","","0.0738","0.0743","","","","","","1.062","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310199","15.9017","0.0016","16.0409","0.0016","17.5928","0.0018","78.963","0.002","63.696","0.001","63.132","0.002","3588.4","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Platinum gold Carbonyl Phosphine cluster","","","- C154 H120 Au4 O10 P8 Pt13 -","- C154 H120 Au4 O10 P8 Pt13 -","- C154 H120 Au4 O10 P8 Pt13 -","1","0.5","","Namal de Silva; Lawrence F. Dahl","Synthesis and Structural Analysis of the First Nanosized Platinum-Gold Carbonyl/Phosphine Cluster, Pt13[Au2(PPh3)2]2(CO)10(PPh3)4, Containing a Pt-Centered [Ph3PAu-AuPPh3]-Capped Icosahedral Pt12 Cage","Inorganic Chemistry","2005","44","","9604","9606","10.1021/ic050990v","","","0.71073","MoKα","","0.1518","0.0733","","","0.163","0.2009","","","","","","0.976","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310200","9.078","0.003","9.282","0.003","13.677","0.003","71.75","0.01","66.7","0.01","86.09","0.02","1003.2","0.5","153.1","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Br2 Cu2 N2 P2 -","- C46 H38 Br2 Cu2 N2 P2 -","- C46 H38 Br2 Cu2 N2 P2 -","1","0.5","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoKα","","","0.041","","","","0.0858","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310201","8.854","0.002","17.427","0.004","13.507","0.003","90","","92.458","0.004","90","","2082.2","0.8","104.2","","104.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Br2 Cl4 Cu2 N2 P2 -","- C42 H38 Br2 Cl4 Cu2 N2 P2 -","- C84 H76 Br4 Cl8 Cu4 N4 P4 -","2","0.5","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoKα","","","0.0281","","","","0.0745","","","","","","0.972","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310202","8.968","0.006","18.15","0.05","13.162","0.008","90","","93.22","0.02","90","","2139","6","153.1","","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Cu2 I2 N4 P2 -","- C44 H40 Cu2 I2 N4 P2 -","- C88 H80 Cu4 I4 N8 P4 -","2","0.5","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoKα","","","0.0398","","","","0.0729","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310203","10.587","0.004","12.396","0.004","15.157","0.005","92.921","0.005","104.059","0.006","103.157","0.003","1867","1.1","293.1","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Cu2 I2 N2 P2 -","- C40 H34 Cu2 I2 N2 P2 -","- C80 H68 Cu4 I4 N4 P4 -","2","1","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoK?a","","","0.0361","","","","0.0496","","","","","","0.825","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310204","8.289","0.004","9.471","0.005","13.98","0.01","86.65","0.05","72.77","0.04","64.94","0.04","946.7","1","153.1","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Br2 Cu2 N2 P2 -","- C44 H36 Br2 Cu2 N2 P2 -","- C44 H36 Br2 Cu2 N2 P2 -","1","0.5","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoKα","","","0.0655","","","","0.1387","","","","","","1.266","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310205","15.269","0.002","15.255","0.002","19.038","0.002","74.781","0.007","71.636","0.006","69.557","0.006","3885.2","0.9","153.1","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Br2 Cu2 N2 P2 -","- C44 H36 Br2 Cu2 N2 P2 -","- C176 H144 Br8 Cu8 N8 P8 -","4","2","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoKα","","","0.0382","","","","0.0879","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310206","15.05","0.01","9.701","0.006","27.03","0.03","90","","98.56","0.02","90","","3902","6","253.2","","223.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H36 Br2 Cu2 N2 P2 -","- C44 H36 Br2 Cu2 N2 P2 -","- C176 H144 Br8 Cu8 N8 P8 -","4","1","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoKα","","","0.0653","","","","0.1467","","","","","","1.409","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310207","10.074","0.005","14.565","0.006","17.902","0.006","65.15","0.02","83.19","0.03","87.93","0.03","2366.4","1.8","153.1","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 Br2 Cu2 N4 P2 -","- C50 H50 Br2 Cu2 N4 P2 -","- C100 H100 Br4 Cu4 N8 P4 -","2","1","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoKα","","","0.082","","","","0.1889","","","","","","1.776","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310208","8.21","0.002","12.632","0.003","13.944","0.003","65.776","0.009","77.72","0.01","83.8","0.01","1288.3","0.5","153.1","","153.15","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H48 Br2 Cu2 N2 O2 P2 -","- C60 H48 Br2 Cu2 N2 O2 P2 -","- C60 H48 Br2 Cu2 N2 O2 P2 -","1","0.5","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoKα","","","0.0358","","","","0.0811","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310209","9.269","0.003","25.572","0.007","11.738","0.004","90","","110.225","0.006","90","","2610.7","1.4","153.1","","153.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H48 Br2 Cu2 N2 O2 P2 -","- C60 H48 Br2 Cu2 N2 O2 P2 -","- C120 H96 Br4 Cu4 N4 O4 P4 -","2","1","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoKα","","","0.0388","","","","0.0768","","","","","","0.811","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310210","9.134","0.003","17.883","0.005","13.321","0.004","90","","90.338","0.004","90","","2175.9","1.1","153.1","","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 Cu2 I2 N4 P2 -","- C44 H46 Cu2 I2 N4 P2 -","- C88 H92 Cu4 I4 N8 P4 -","2","0.5","","Hiromi Araki; Kiyoshi Tsuge; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura","Luminescence Ranging from Red to Blue: A Series of Copper(I)-Halide Complexes Having Rhombic {Cu2(μ-X)2} (X = Br and I) Units with N-Heteroaromatic Ligands","Inorganic Chemistry","2005","44","","9667","9675","10.1021/ic0510359","","","0.7107","MoKα","","","0.0277","","","","0.0916","","","","","","1.417","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310211","17.2404","0.0007","9.0397","0.0004","18.7208","0.0008","90","","94.476","0.001","90","","2908.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[3,5-di(2-pyridyl)toluene]platinum(II) chloride","","- C17 H13 Cl N2 Pt -","- C17 H13 Cl N2 Pt -","- C136 H104 Cl8 N16 Pt8 -","8","2","","Sarah J. Farley; David L. Rochester; Amber L. Thompson; Judith A. K. Howard; J. A. Gareth Williams","Controlling Emission Energy, Self-Quenching, and Excimer Formation in Highly Luminescent N^C^N-Coordinated Platinum(II) Complexes","Inorganic Chemistry","2005","44","","9690","9703","10.1021/ic051049e","","","0.71073","MoKα","","0.0552","0.0472","","","0.1177","0.123","","","","","","1.039","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310212","4.2243","0.0003","15.1114","0.001","20.1874","0.0013","90","","91.461","0.001","90","","1288.25","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dipyridyl benzene","1-bromo-3,5-di(2-pyridyl)benzene","","- C16 H11 Br N2 -","- C16 H11 Br N2 -","- C64 H44 Br4 N8 -","4","1","","Sarah J. Farley; David L. Rochester; Amber L. Thompson; Judith A. K. Howard; J. A. Gareth Williams","Controlling Emission Energy, Self-Quenching, and Excimer Formation in Highly Luminescent N^C^N-Coordinated Platinum(II) Complexes","Inorganic Chemistry","2005","44","","9690","9703","10.1021/ic051049e","","","0.71073","MoKα","","0.0405","0.0279","","","0.06","0.064","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310213","8.1963","0.0003","11.3357","0.0004","16.0763","0.0005","90","","90","","90","","1493.66","0.09","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,3,5-Tri(2-pyridyl)benzene","","- C21 H15 N3 -","- C21 H15 N3 -","- C84 H60 N12 -","4","1","","Sarah J. Farley; David L. Rochester; Amber L. Thompson; Judith A. K. Howard; J. A. Gareth Williams","Controlling Emission Energy, Self-Quenching, and Excimer Formation in Highly Luminescent N^C^N-Coordinated Platinum(II) Complexes","Inorganic Chemistry","2005","44","","9690","9703","10.1021/ic051049e","","","0.71073","MoKα","","0.034","0.0332","","","0.0942","0.0951","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310214","9.7958","0.0005","10.4118","0.0006","18.9171","0.001","90","","96.97","0.001","90","","1915.13","0.18","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","mesityl dipyridylbenzene","1-mesityl-3,5-di(2-pyridyl)benzene","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Sarah J. Farley; David L. Rochester; Amber L. Thompson; Judith A. K. Howard; J. A. Gareth Williams","Controlling Emission Energy, Self-Quenching, and Excimer Formation in Highly Luminescent N^C^N-Coordinated Platinum(II) Complexes","Inorganic Chemistry","2005","44","","9690","9703","10.1021/ic051049e","","","0.71073","MoKα","","0.0623","0.0471","","","0.1018","0.108","","","","","","1.061","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310215","17.0006","0.0009","21.0713","0.0011","9.307","0.0005","90","","114.122","0.001","90","","3042.9","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(4-biphenyl)-3,5-di(2-pyridyl)benzene platinum(II) chloride","","- C30 H21 Cl7 N2 Pt -","- C30 H21 Cl7 N2 Pt -","- C120 H84 Cl28 N8 Pt4 -","4","0.5","","Sarah J. Farley; David L. Rochester; Amber L. Thompson; Judith A. K. Howard; J. A. Gareth Williams","Controlling Emission Energy, Self-Quenching, and Excimer Formation in Highly Luminescent N^C^N-Coordinated Platinum(II) Complexes","Inorganic Chemistry","2005","44","","9690","9703","10.1021/ic051049e","","","0.71073","MoKα","","0.0223","0.0186","","","0.0462","0.0477","","","","","","1.051","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310216","9.1408","0.0003","12.0072","0.0004","12.7159","0.0005","116.1","0.002","96.903","0.001","100.861","0.002","1197.79","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Cl16 Mn2 N4 O10 -","- C38 H16 Cl16 Mn2 N4 O10 -","- C38 H16 Cl16 Mn2 N4 O10 -","1","0.5","","Nizamuddin Shaikh; Sanchita Goswami; Anangamohan Panja; Hao-Ling Sun; Feng Pan; Song Gao; Pradyot Banerjee","Syntheses, Crystal Structures, and Spectroscopic and Magnetic Properties of [Mn2III(H2L1)(Cl4Cat)4.2H2O]∞and [Mn2III(H2L2)(Cl4Cat)4.2CH3CN.2H2O]\ιnfty: Temperature-Dependent Valence Tautomerism in Solution","Inorganic Chemistry","2005","44","","9714","9722","10.1021/ic051064j","","","0.71073","MoKα","","0.2218","0.1071","","","0.255","0.3179","","","","","","0.929","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310217","14.4593","0.0002","20.7949","0.0004","18.2264","0.0003","90","","98.649","0.001","90","","5417.99","0.16","180","","180","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H30 Cl16 Mn2 N6 O10 -","- C43 H22 Cl16 Mn2 N6 O10 -","- C172 H88 Cl64 Mn8 N24 O40 -","4","0.5","","Nizamuddin Shaikh; Sanchita Goswami; Anangamohan Panja; Hao-Ling Sun; Feng Pan; Song Gao; Pradyot Banerjee","Syntheses, Crystal Structures, and Spectroscopic and Magnetic Properties of [Mn2III(H2L1)(Cl4Cat)4.2H2O]∞and [Mn2III(H2L2)(Cl4Cat)4.2CH3CN.2H2O]\ιnfty: Temperature-Dependent Valence Tautomerism in Solution","Inorganic Chemistry","2005","44","","9714","9722","10.1021/ic051064j","","","0.71073","MoKα","","0.0708","0.0397","","","0.0959","0.1196","","","","","","1.029","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310218","10.29","0.002","11.003","0.002","12.728","0.002","78.81","0.01","72.65","0.01","69.08","0.01","1278.6","0.4","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","(Phthalocyaninato)-ethyl-cobalt(iii)","","- C34 H21 Co N8 -","- C34 H21 Co N8 -","- C68 H42 Co2 N16 -","2","1","","Wlodzimierz Galezowski; Maciej Kubicki","X-ray Structures and Homolysis of Some Alkylcobalt(III) Phthalocyanine Complexes","Inorganic Chemistry","2005","44","","9902","9913","10.1021/ic051078p","","","0.71073","MoKα","","0.1035","0.0544","","","0.0901","0.1028","","","","","","1.038","","","","has coordinates,has disorder","179141","2020-10-21","18:00:00",""
"4310219","10.4247","0.0012","11.1526","0.001","12.8046","0.0013","78.466","0.008","72.393","0.01","68.277","0.01","1311.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(Phthalocyaninato)-ethyl-cobalt(iii)","","- C34 H21 Co N8 -","- C34 H21 Co N8 -","- C68 H42 Co2 N16 -","2","1","","Wlodzimierz Galezowski; Maciej Kubicki","X-ray Structures and Homolysis of Some Alkylcobalt(III) Phthalocyanine Complexes","Inorganic Chemistry","2005","44","","9902","9913","10.1021/ic051078p","","","0.71073","MoKα","","0.0653","0.0458","","","0.0874","0.0967","","","","","","1.01","","","","has coordinates,has disorder","179141","2020-10-21","18:00:00",""
"4310220","10.53","0.002","14.977","0.003","20.736","0.004","90","","104.36","0.03","90","","3168.1","1.1","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Phthalocyaninato)-methyl-pyridine-cobalt(iii) pyridine solvate","","- C40.5 H26.5 Co N9.5 -","- C40.5 H26.5 Co N9.5 -","- C162 H106 Co4 N38 -","4","1","","Wlodzimierz Galezowski; Maciej Kubicki","X-ray Structures and Homolysis of Some Alkylcobalt(III) Phthalocyanine Complexes","Inorganic Chemistry","2005","44","","9902","9913","10.1021/ic051078p","","","0.71073","MoKα","","0.0805","0.0589","","","0.1351","0.1468","","","","","","1.126","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310221","14.178","0.003","14.442","0.004","11.4","0.002","90","0","90","0","90","0","2334.2","0.9","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 N6 O3 S -","- C24 H18 N6 O3 S -","- C96 H72 N24 O12 S4 -","4","1","","Costanza Bergami; Maria Pia Donzello; Claudio Ercolani; Fabrizio Monicelli; Karl M. Kadish; Corrado Rizzoli","Tetra-2,3-pyrazinoporphyrazines with Externally Appended Pyridine Rings. 3. A New Highly Electron-Deficient Octacationic Macrocycle: Tetrakis-2,3-[5,6-di{2-(N-methyl)pyridiniumyl}pyrazino]porphyrazine, [(2-Mepy)8TPyzPzH2]8+","Inorganic Chemistry","2005","44","","9852","9861","10.1021/ic051084l","","","1.54178","CuKα","","0.0474","0.0422","","0.1334","","0.1138","","","1.062","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310222","13.489","0.003","13.181","0.003","11.005","0.001","90","0","112.48","0.02","90","0","1808","0.7","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H11 I N6 -","- C17 H11 I N6 -","- C68 H44 I4 N24 -","4","1","","Costanza Bergami; Maria Pia Donzello; Claudio Ercolani; Fabrizio Monicelli; Karl M. Kadish; Corrado Rizzoli","Tetra-2,3-pyrazinoporphyrazines with Externally Appended Pyridine Rings. 3. A New Highly Electron-Deficient Octacationic Macrocycle: Tetrakis-2,3-[5,6-di{2-(N-methyl)pyridiniumyl}pyrazino]porphyrazine, [(2-Mepy)8TPyzPzH2]8+","Inorganic Chemistry","2005","44","","9852","9861","10.1021/ic051084l","","","1.54178","CuKα","","0.061","0.0558","","0.1829","","0.1471","","","1.034","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310223","12.225","0.002","16.126","0.003","16.872","0.003","90","","91.996","0.004","90","","3324.1","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Mn N8 O9 -","- C28 H42 Mn N8 O9 -","- C112 H168 Mn4 N32 O36 -","4","0.5","","Carlos Platas-Iglesias; Lea Vaiana; David Esteban-Gómez; Fernando Avecilla; José Antonio Real; Andrés de Blas; Teresa Rodríguez-Blas","Electronic Structure Study of Seven-Coordinate First-Row Transition Metal Complexes Derived from 1,10-Diaza-15-crown-5: A Successful Marriage of Theory with Experiment","Inorganic Chemistry","2005","44","","9704","9713","10.1021/ic051119h","","","0.71073","MoKα","","0.1795","0.061","","","0.1573","0.2066","","","","","","0.992","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310224","12.252","0.017","16.22","0.02","16.97","0.02","90","","92.4","0.02","90","","3369","7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Co N8 O9 -","- C28 H42 Co N8 O9 -","- C112 H168 Co4 N32 O36 -","4","0.5","","Carlos Platas-Iglesias; Lea Vaiana; David Esteban-Gómez; Fernando Avecilla; José Antonio Real; Andrés de Blas; Teresa Rodríguez-Blas","Electronic Structure Study of Seven-Coordinate First-Row Transition Metal Complexes Derived from 1,10-Diaza-15-crown-5: A Successful Marriage of Theory with Experiment","Inorganic Chemistry","2005","44","","9704","9713","10.1021/ic051119h","","","0.71073","MoKα","","0.0833","0.0515","","","0.1398","0.1582","","","","","","1.067","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310225","15.8519","0.0015","12.5941","0.0012","28.328","0.003","90","","90","","90","","5655.4","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H38 N6 Ni O10 -","- C24 H38 N6 Ni O10 -","- C192 H304 N48 Ni8 O80 -","8","1","","Carlos Platas-Iglesias; Lea Vaiana; David Esteban-Gómez; Fernando Avecilla; José Antonio Real; Andrés de Blas; Teresa Rodríguez-Blas","Electronic Structure Study of Seven-Coordinate First-Row Transition Metal Complexes Derived from 1,10-Diaza-15-crown-5: A Successful Marriage of Theory with Experiment","Inorganic Chemistry","2005","44","","9704","9713","10.1021/ic051119h","","","0.71073","MoKα","","0.0979","0.0567","","","0.1538","0.1849","","","","","","1.026","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310226","18.122","0.004","12.746","0.004","12.378","0.004","90","","92.354","0.017","90","","2856.7","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl2 N4 Ni O11 -","- C24 H36 Cl2 N4 Ni O11 -","- C96 H144 Cl8 N16 Ni4 O44 -","4","1","","Carlos Platas-Iglesias; Lea Vaiana; David Esteban-Gómez; Fernando Avecilla; José Antonio Real; Andrés de Blas; Teresa Rodríguez-Blas","Electronic Structure Study of Seven-Coordinate First-Row Transition Metal Complexes Derived from 1,10-Diaza-15-crown-5: A Successful Marriage of Theory with Experiment","Inorganic Chemistry","2005","44","","9704","9713","10.1021/ic051119h","","","0.71073","MoKα","","0.1113","0.0572","","","0.1193","0.1435","","","","","","1.02","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310227","15.279","0.004","16.13","0.004","22.828","0.004","69.67","0.08","80.58","0.08","64.63","0.08","4766","4","193","2","193","2","","","","","","","","6","P 1","P 1","1","Compound 2 - oslla -","di Hydroxo-Cu(II) Calix[6]arene-tri(O-methyl-imidazole), di- perchlorate, solvate: five CH2Cl2, one ether","","- C174.58 H230.95 Cl8.05 Cu2 N12 O22.89 -","- C174.584 H230.948 Cl8.048 Cu2 N12 O22.89 -","- C174.584 H230.948 Cl8.048 Cu2 N12 O22.89 -","1","1","","Guillaume Izzet; Yves M. Frapart; Thierry Prangé; Karine Provost; Alain Michalowicz; Olivia Reinaud","X-ray Diffraction and EXAFS Studies of Hydroxo-Cu(II) Complexes Based on a Calix[6]arene-N3 Ligand: Evidence for a Mononuclear-Dinuclear Equilibrium Controlled by Supramolecular Features","Inorganic Chemistry","2005","44","","9743","9751","10.1021/ic0511322","","","0.952","synchrotron","","0.0884","0.0762","","","0.2194","0.2229","","","","","","1.04","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310228","12.677","0.001","18.933","0.001","26.983","0.002","90","","90.138","0.005","90","","6476.3","0.8","293","2","293","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 Cu3 N4 O54 Rb4 Si W11 -","- C22 H16 Cu3.001 N4 O54 Rb4 Si W10.999 -","- C88 H64 Cu12.004 N16 O216 Rb16 Si4 W43.996 -","4","1","","Santiago Reinoso; Pablo Vitoria; Juan M. Gutiérrez-Zorrilla; Luis Lezama; Leire San Felices; Javier I. Beitia","Inorganic-Metalorganic Hybrids Based on Copper(II)-Monosubstituted Keggin Polyanions and Dinuclear Copper(II)-Oxalate Complexes. Synthesis, X-ray Structural Characterization, and Magnetic Properties","Inorganic Chemistry","2005","44","","9731","9742","10.1021/ic051134m","","x-ray","0.71069","MoKα","","0.1073","0.0485","","","0.0995","0.1099","","","","","","0.854","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310229","12.4871","0.0011","20.5817","0.0016","18.6197","0.0016","90","","101.777","0.01","90","","4684.6","0.7","293","2","293","2","","","","","","","synthesis as described","8","P 1 21/m 1","-P 2yb","11","","","","- C44 H70 Cu5 K2 N8 O66 Si W11 -","- C44 H32 Cu5 K2 N8 O52 Si W11 -","- C88 H64 Cu10 K4 N16 O104 Si2 W22 -","2","0.5","","Santiago Reinoso; Pablo Vitoria; Juan M. Gutiérrez-Zorrilla; Luis Lezama; Leire San Felices; Javier I. Beitia","Inorganic-Metalorganic Hybrids Based on Copper(II)-Monosubstituted Keggin Polyanions and Dinuclear Copper(II)-Oxalate Complexes. Synthesis, X-ray Structural Characterization, and Magnetic Properties","Inorganic Chemistry","2005","44","","9731","9742","10.1021/ic051134m","","x-ray","0.71073","MoKα","","0.2252","0.0749","","","0.1619","0.1982","","","","","","0.681","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310230","12.546","0.002","21.303","0.003","37.932","0.006","90","","106.16","0.01","90","","9737","3","293","2","293","2","","","","","","","synthesis as described","8","A 1 2/m 1","-A 2y","12","","","","- C44 H148 Cu7 K14 N8 O183 Si3 W33 -","- C44 H32 Cu6.9936 K10 N8 O180 Si3 W33.0064 -","- C88 H64 Cu13.9872 K20 N16 O360 Si6 W66.0128 -","2","0.25","","Santiago Reinoso; Pablo Vitoria; Juan M. Gutiérrez-Zorrilla; Luis Lezama; Leire San Felices; Javier I. Beitia","Inorganic-Metalorganic Hybrids Based on Copper(II)-Monosubstituted Keggin Polyanions and Dinuclear Copper(II)-Oxalate Complexes. Synthesis, X-ray Structural Characterization, and Magnetic Properties","Inorganic Chemistry","2005","44","","9731","9742","10.1021/ic051134m","","x-ray","0.71073","MoKα","","0.1674","0.0705","","","0.1758","0.1991","","","","","","0.945","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310231","12.6937","0.0005","18.935","0.001","26.934","0.001","90","","90.194","0.003","90","","6473.7","0.5","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H54 Cu3 N8 O54 Si W11 -","- C22 H16 Cu3 N8 O54 Si W11 -","- C88 H64 Cu12 N32 O216 Si4 W44 -","4","1","","Santiago Reinoso; Pablo Vitoria; Juan M. Gutiérrez-Zorrilla; Luis Lezama; Leire San Felices; Javier I. Beitia","Inorganic-Metalorganic Hybrids Based on Copper(II)-Monosubstituted Keggin Polyanions and Dinuclear Copper(II)-Oxalate Complexes. Synthesis, X-ray Structural Characterization, and Magnetic Properties","Inorganic Chemistry","2005","44","","9731","9742","10.1021/ic051134m","","x-ray","0.71073","MoKα","","0.103","0.0469","","","0.091","0.1015","","","","","","0.864","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310232","10.576","0.006","12.616","0.007","16.991","0.009","98.539","0.011","97.841","0.011","108.967","0.01","2078","2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H60 N5 O6 Re S4 -","- C31 H60 N5 O6 Re S4 -","- C62 H120 N10 O12 Re2 S8 -","2","1","","Tobias K. Heinrich; Werner Kraus; Hans-Jürgen Pietzsch; Sepp Seifert; Christoph Smuda; Hartmut Spies","Novel Rhenium Chelate System Derived from Dimercaptosuccinic Acid for the Selective Labeling of Biomolecules","Inorganic Chemistry","2005","44","","9930","9937","10.1021/ic051148s","","","0.71073","MoKα","","0.0641","0.0403","","","0.0734","0.077","","","","","","0.852","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310233","16.754","0.014","20.074","0.017","25.08","0.02","90","","90","","90","","8435","12","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H56 N5 O5 Re S4 -","- C30 H56 N5 O5 Re S4 -","- C240 H448 N40 O40 Re8 S32 -","8","1","","Tobias K. Heinrich; Werner Kraus; Hans-Jürgen Pietzsch; Sepp Seifert; Christoph Smuda; Hartmut Spies","Novel Rhenium Chelate System Derived from Dimercaptosuccinic Acid for the Selective Labeling of Biomolecules","Inorganic Chemistry","2005","44","","9930","9937","10.1021/ic051148s","","","0.71073","MoKα","","0.1902","0.0702","","","0.1363","0.1594","","","","","","0.765","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310234","11.947","0.002","15.368","0.003","15.132","0.003","90","","92.94","0.02","90","","2774.6","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F6 N2 O4 S2 Zn -","- C22 H24 F6 N2 O4 S2 Zn -","- C88 H96 F24 N8 O16 S8 Zn4 -","4","1","","Graziella Malandrino; Manuela Blandino; Laura M. S. Perdicaro; Ignazio L. Fragalà; Patrizia Rossi; Paolo Dapporto","A Novel Diamine Adduct of Zinc Bis(2-thenoyl-trifluoroacetonate) as a Promising Precursor for MOCVD of Zinc Oxide Films","Inorganic Chemistry","2005","44","","9684","9689","10.1021/ic051175i","","","0.71069","MoKα","","0.2028","0.0684","","","0.197","0.2695","","","","","","0.697","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310235","11.239","0.004","14.018","0.004","37.997","0.007","90","","90.95","0.03","90","","5986","3","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis[trans,cis,cis-dichloro-dicarbonyl- bis(ethanol-zinc(II)-5,10-bis(4'pyridyl)-15,20-diphenyl-porphyrinato)- -ruthenium(II)] octachloroform solvate","","- C100 H72 Cl28 N12 O6 Ru2 Zn2 -","- C100 H72 Cl28 N12 O6 Ru2 Zn2 -","- C200 H144 Cl56 N24 O12 Ru4 Zn4 -","2","0.5","","Elisabetta Iengo; Ennio Zangrando; Marco Bellini; Enzo Alessio; Anna Prodi; Claudio Chiorboli; Franco Scandola","Pyridylporphyrin Metallacycles with a Slipped Cofacial Geometry: Spectroscopic, X-ray, and Photophysical Characterization","Inorganic Chemistry","2005","44","","9752","9762","10.1021/ic051210l","","","1.54178","CuKα","","0.0971","0.0761","","","0.2269","0.2529","","","","","","1.056","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310236","19.22","0.005","17.341","0.005","15.145","0.004","90","","107.72","0.03","90","","4808","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[trans,cis,cis-dichloro-dicarbonyl- bis(5,10-bis(3'-pyridyl)-15,20-diphenyl-porphyrin)- -ruthenium(II)] n-hexane chloroform solvate","","- C99 H79 Cl10 N12 O4 Ru2 -","- C99 H79 Cl10 N12 O4 Ru2 -","- C198 H158 Cl20 N24 O8 Ru4 -","2","0.5","","Elisabetta Iengo; Ennio Zangrando; Marco Bellini; Enzo Alessio; Anna Prodi; Claudio Chiorboli; Franco Scandola","Pyridylporphyrin Metallacycles with a Slipped Cofacial Geometry: Spectroscopic, X-ray, and Photophysical Characterization","Inorganic Chemistry","2005","44","","9752","9762","10.1021/ic051210l","","","1","synchrotron","","0.0938","0.0884","","","0.2455","0.2557","","","","","","1.082","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310237","15.873","0.004","18.597","0.005","19.372","0.005","65.88","0.02","85.53","0.02","78.18","0.02","5108","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","bis[trans,cis,cis-dichloro-dicarbonyl- bis(ethanol-zinc(II)-5,10-bis(3'-pyridyl)-15,20-diphenyl-porphyrinato)- -ruthenium(II)] chloroform solvate","","- C95 H67 Cl13 N12 O6 Ru2 Zn2 -","- C95 H67 Cl13 N12 O6 Ru2 Zn2 -","- C190 H134 Cl26 N24 O12 Ru4 Zn4 -","2","1","","Elisabetta Iengo; Ennio Zangrando; Marco Bellini; Enzo Alessio; Anna Prodi; Claudio Chiorboli; Franco Scandola","Pyridylporphyrin Metallacycles with a Slipped Cofacial Geometry: Spectroscopic, X-ray, and Photophysical Characterization","Inorganic Chemistry","2005","44","","9752","9762","10.1021/ic051210l","","","1","synchrotron","","0.1202","0.0983","","","0.2713","0.2976","","","","","","1.176","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310238","15.1833","0.0011","21.88","0.0014","15.5033","0.001","90","","112.44","0.007","90","","4760.4","0.6","150","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H72 F6 N4 Ni S4 -","- C40 H72 F6 N4 Ni S4 -","- C160 H288 F24 N16 Ni4 S16 -","4","1","","Olivier Jeannin; Jacques Delaunay; Frédéric Barrière; Marc Fourmigué","Between Ni(mnt)2 and Ni(tfd)2i Dithiolene Complexes: the Unsymmetrical 2-(Trifluoromethyl)acrylonitrile-1,2-dithiolate and Its Nickel Complexes","Inorganic Chemistry","2005","44","","9763","9770","10.1021/ic051226b","","","0.71073","MoKα","","0.0759","0.0373","","","0.0742","0.0834","","","","","","0.854","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4310239","13.9167","0.0016","13.8219","0.0011","14.4331","0.0015","90","","110.824","0.012","90","","2594.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H40 F6 N2 Ni P2 S4 -","- C56 H40 F6 N2 Ni P2 S4 -","- C112 H80 F12 N4 Ni2 P4 S8 -","2","0.5","","Olivier Jeannin; Jacques Delaunay; Frédéric Barrière; Marc Fourmigué","Between Ni(mnt)2 and Ni(tfd)2i Dithiolene Complexes: the Unsymmetrical 2-(Trifluoromethyl)acrylonitrile-1,2-dithiolate and Its Nickel Complexes","Inorganic Chemistry","2005","44","","9763","9770","10.1021/ic051226b","","","0.71073","MoKα","","0.1513","0.0522","","","0.1122","0.1351","","","","","","0.801","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310240","28.35","0.006","10.787","0.002","17.958","0.004","90","","119.99","0.03","90","","4756","2","150","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","(Na(18c6))2, Ni(S2C2(CF3)(CN))2","","","- C34 H54 F6 N2 Na2 Ni O14 S4 -","- C34 H54 F6 N2 Na2 Ni O14 S4 -","- C136 H216 F24 N8 Na8 Ni4 O56 S16 -","4","0.5","","Olivier Jeannin; Jacques Delaunay; Frédéric Barrière; Marc Fourmigué","Between Ni(mnt)2 and Ni(tfd)2i Dithiolene Complexes: the Unsymmetrical 2-(Trifluoromethyl)acrylonitrile-1,2-dithiolate and Its Nickel Complexes","Inorganic Chemistry","2005","44","","9763","9770","10.1021/ic051226b","","","0.71073","MoKα","","0.0706","0.0362","","","0.074","0.0822","","","","","","0.889","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310241","25.175","0.005","8.6412","0.0017","16.091","0.003","90","","117.04","0.03","90","","3117.8","1.3","150","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 F6 N3 Ni S4 -","- C24 H32 F6 N3 Ni S4 -","- C96 H128 F24 N12 Ni4 S16 -","4","0.5","","Olivier Jeannin; Jacques Delaunay; Frédéric Barrière; Marc Fourmigué","Between Ni(mnt)2 and Ni(tfd)2i Dithiolene Complexes: the Unsymmetrical 2-(Trifluoromethyl)acrylonitrile-1,2-dithiolate and Its Nickel Complexes","Inorganic Chemistry","2005","44","","9763","9770","10.1021/ic051226b","","","0.71073","MoKα","","0.0564","0.0441","","","0.1231","0.1308","","","","","","1.058","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4310242","25.585","0.002","8.2118","0.0004","17.6127","0.0014","90","","116.73","0.008","90","","3305","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 F6 N2 Ni P S4 -","- C32 H20 F6 N2 Ni P S4 -","- C128 H80 F24 N8 Ni4 P4 S16 -","4","0.5","","Olivier Jeannin; Jacques Delaunay; Frédéric Barrière; Marc Fourmigué","Between Ni(mnt)2 and Ni(tfd)2i Dithiolene Complexes: the Unsymmetrical 2-(Trifluoromethyl)acrylonitrile-1,2-dithiolate and Its Nickel Complexes","Inorganic Chemistry","2005","44","","9763","9770","10.1021/ic051226b","","","0.71073","MoKα","","0.0506","0.0312","","","0.0765","0.0828","","","","","","1.011","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310243","7.9125","0.0016","15.458","0.003","24.159","0.005","90","","92.78","0.03","90","","2951.4","1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Na(18c6),Ni(S2C2(CF3)(CN))2","","","- C20 H24 F6 N2 Na Ni O6 S4 -","- C20 H24 F6 N2 Na Ni O6 S4 -","- C80 H96 F24 N8 Na4 Ni4 O24 S16 -","4","1","","Olivier Jeannin; Jacques Delaunay; Frédéric Barrière; Marc Fourmigué","Between Ni(mnt)2 and Ni(tfd)2i Dithiolene Complexes: the Unsymmetrical 2-(Trifluoromethyl)acrylonitrile-1,2-dithiolate and Its Nickel Complexes","Inorganic Chemistry","2005","44","","9763","9770","10.1021/ic051226b","","","0.71073","MoKα","","0.12","0.0423","","","0.0683","0.0843","","","","","","0.806","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310244","9.2994","0.0005","10.1733","0.0005","14.6154","0.0007","98.87","0.004","90.08","0.004","97.201","0.004","1355.08","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H17 Co2 Mn O9 -","- C30 H17 Co2 Mn O9 -","- C60 H34 Co4 Mn2 O18 -","2","1","","Yannick Ortin; Noël Lugan; Sébastien Pillet; Mohammed Souhassou; Claude Lecomte; Karine Costuas; Jean-Yves Saillard","A Favorable Case Where an Experimental Electron Density Analysis Offers a Lead for Understanding a Specific Fluxional Process Observed in Solution","Inorganic Chemistry","2005","44","","9607","9609","10.1021/ic051239p","","","0.71069","MoKα","","0.043","0.043","","","0.0222","0.0222","","","","","","1.86","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310245","7.4047","0.0018","8.14","0.003","12.493","0.004","108.824","0.005","101.978","0.008","91.298","0.006","693.9","0.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 S6 -","- C10 H10 N2 S6 -","- C20 H20 N4 S12 -","2","1","","M. Carla Aragoni; Massimiliano Arca; Francesco A. Devillanova; Francesco Isaia; Vito Lippolis; Annalisa Mancini; Luca Pala; Alexandra M. Z. Slawin; J. Derek Woollins","[M(R-dmet)2] Bis(1,2-dithiolenes): a Promising New Class Intermediate between [M(dmit)2] and [M(R,R'-timdt)2] (M = Ni, Pd, Pt)","Inorganic Chemistry","2005","44","","9610","9612","10.1021/ic051260q","","","0.71073","MoKα","","0.0417","0.0316","","","0.0609","0.0649","","","","","","1.006","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310246","13.4108","0.0007","15.5496","0.0008","24.1156","0.0012","100.084","0.001","101.927","0.001","103.399","0.001","4653.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H45 K10 O90.5 Si2 W18 -","- Cu5 K5.75 O90.5 Si2 W18 -","- Cu10 K11.5 O181 Si4 W36 -","2","1","","Saritha Nellutla; Johan van Tol; Naresh S. Dalal; Li-Hua Bi; Ulrich Kortz; Bineta Keita; Louis Nadjo; Gregory A. Khitrov; Alan G. Marshall","Magnetism, Electron Paramagnetic Resonance, Electrochemistry, and Mass Spectrometry of the Pentacopper(II)-Substituted Tungstosilicate [Cu5(OH)4(H2O)2(A-α-SiW9O33)2]10-, A Model Five-Spin Frustrated Cluster","Inorganic Chemistry","2005","44","","9795","9806","10.1021/ic0512633","","","0.71073","MoKα","","0.0792","0.0685","","","0.1787","0.189","","","","","","1.073","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310247","9.339","0.0004","16.2845","0.0007","20.8177","0.0009","90","","91.726","0.001","90","","3164.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cl2 F6 N6 P Rh -","- C26 H34 Cl2 F6 N6 P Rh -","- C104 H136 Cl8 F24 N24 P4 Rh4 -","4","1","","Elena Mas-Marzá; Mercedes Sanaú; Eduardo Peris","Coordination Versatility of Pyridine-Functionalized N-Heterocyclic Carbenes: A Detailed Study of the Different Activation Procedures. Characterization of New Rh and Ir Compounds and Study of Their Catalytic Activity","Inorganic Chemistry","2005","44","","9961","9967","10.1021/ic051272b","","","0.71073","MoKα","","0.1642","0.0855","","","0.252","0.3085","","","","","","1.013","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310248","9.3595","0.0004","16.3229","0.0007","20.7536","0.001","90","","91.445","0.001","90","","3169.6","0.2","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cl2 F6 Ir N6 P -","- C26 H34 Cl2 F6 Ir N6 P -","- C104 H136 Cl8 F24 Ir4 N24 P4 -","4","1","","Elena Mas-Marzá; Mercedes Sanaú; Eduardo Peris","Coordination Versatility of Pyridine-Functionalized N-Heterocyclic Carbenes: A Detailed Study of the Different Activation Procedures. Characterization of New Rh and Ir Compounds and Study of Their Catalytic Activity","Inorganic Chemistry","2005","44","","9961","9967","10.1021/ic051272b","","","0.71073","MoKα","","0.1109","0.0551","","","0.1274","0.15","","","","","","0.979","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310249","11.0358","0.0017","16.569","0.003","17.507","0.003","90","","105.377","0.002","90","","3086.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H90 Mo6 N4 O17 -","- C48 H90 Mo6 N4 O17 -","- C96 H180 Mo12 N8 O34 -","2","0.5","","Yun Xia; Yongge Wei; Yuan Wang; Hongyou Guo","A Kinetically Controlled Trans Bifunctionalized Organoimido Derivative of the Lindqvist-Type Hexamolybdate: Synthesis, Spectroscopic Characterization, and Crystal Structure of (n-Bu4N)2{trans-[Mo6O17(NAr)2]} (Ar = 2,6-dimethylphenyl)","Inorganic Chemistry","2005","44","","9823","9828","10.1021/ic051319t","","","0.71073","MoKα","","0.0376","0.0329","","","0.0858","0.09","","","","","","1.059","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310250","24.549","0.001","17.979","0.001","22.86","0.001","90","","90","","90","","10089.6","0.8","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H153 I Mo9 N4 O37 -","- C64 H144 I Mo9 N4 O37 -","- C256 H576 I4 Mo36 N16 O148 -","4","1","","Daisuke Honda; Tomoji Ozeki; Atsushi Yagasaki","Methoxide of an Anderson-Type Polyoxometalate and Its Conversion to a New Type of Species, [IMo9O32(OH)(OH2)3]4-","Inorganic Chemistry","2005","44","","9616","9618","10.1021/ic051351n","","","0.3282","synchrotron","","0.067","0.0641","","","0.1729","0.1763","","","","","","1.081","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310251","10.4009","0.0001","14.6658","0.0003","23.5395","0.0004","90","","100.324","0.001","90","","3532.52","0.1","83","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H114 I Mo6 N3 O24 -","- C50 H114 I Mo6 N3 O24 -","- C100 H228 I2 Mo12 N6 O48 -","2","0.5","","Daisuke Honda; Tomoji Ozeki; Atsushi Yagasaki","Methoxide of an Anderson-Type Polyoxometalate and Its Conversion to a New Type of Species, [IMo9O32(OH)(OH2)3]4-","Inorganic Chemistry","2005","44","","9616","9618","10.1021/ic051351n","","","0.71073","MoKα","","0.0393","0.0343","","","0.0758","0.0788","","","","","","1.196","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4310252","21.125","0.016","14.483","0.01","15.061","0.012","90","","113.302","0.003","90","","4232","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 Fe2 Mn N12 O8 -","- C38 H36 Fe2 Mn N12 O8 -","- C152 H144 Fe8 Mn4 N48 O32 -","4","0.5","","Zhong-Hai Ni; Hui-Zhong Kou; Li-Fang Zhang; Wei-Wei Ni; Yun-Bo Jiang; Ai-Li Cui; Joan Ribas; Osamu Sato","mer-[Fe(pcq)(CN)3]-: A Novel Cyanide-Containing Building Block and Its Application to Assembling Cyanide-Bridged Trinuclear FeIII2MnII Complexes [pcq-= 8-(Pyridine-2-carboxamido)quinoline Anion]","Inorganic Chemistry","2005","44","","9631","9633","10.1021/ic051385v","","","0.7107","MoKα","","0.0731","0.051","","","0.1114","0.1225","","","","","","1.108","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310253","17.477","0.003","16.156","0.003","18.996","0.004","90","0.001","101.699","0.001","90","0.001","5252.3","1.7","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C57 H44 Fe2 Mn N16 O5 -","- C57 H38 Fe2 Mn N16 O5 -","- C228 H152 Fe8 Mn4 N64 O20 -","4","1","","Zhong-Hai Ni; Hui-Zhong Kou; Li-Fang Zhang; Wei-Wei Ni; Yun-Bo Jiang; Ai-Li Cui; Joan Ribas; Osamu Sato","mer-[Fe(pcq)(CN)3]-: A Novel Cyanide-Containing Building Block and Its Application to Assembling Cyanide-Bridged Trinuclear FeIII2MnII Complexes [pcq-= 8-(Pyridine-2-carboxamido)quinoline Anion]","Inorganic Chemistry","2005","44","","9631","9633","10.1021/ic051385v","","","0.7107","MoKα","","0.0803","0.07","","","0.1775","0.1877","","","","","","1.052","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310254","19.388","0.004","16.273","0.003","17.849","0.004","90","","104.58","0.03","90","","5450","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H44 Fe2 Mn N16 O5 -","- C61 H36 Fe2 Mn N16 O5 -","- C244 H144 Fe8 Mn4 N64 O20 -","4","1","","Zhong-Hai Ni; Hui-Zhong Kou; Li-Fang Zhang; Wei-Wei Ni; Yun-Bo Jiang; Ai-Li Cui; Joan Ribas; Osamu Sato","mer-[Fe(pcq)(CN)3]-: A Novel Cyanide-Containing Building Block and Its Application to Assembling Cyanide-Bridged Trinuclear FeIII2MnII Complexes [pcq-= 8-(Pyridine-2-carboxamido)quinoline Anion]","Inorganic Chemistry","2005","44","","9631","9633","10.1021/ic051385v","","","0.71073","MoKα","","0.1216","0.087","","","0.2149","0.2337","","","","","","1.011","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310255","12.866","0.0017","10.9562","0.0017","8.0792","0.0012","90","","100.902","0.003","90","","1118.3","0.3","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","mercury(II) silver(I) phosphide bromide","","","- Ag2 Br6 Hg7 P8 -","- Ag2 Br6 Hg7 P8 -","- Ag4 Br12 Hg14 P16 -","2","0.25","","Olga S. Oleneva; Andrei V. Olenev; Tatiana A. Shestimerova; Alexey I. Baranov; Evgeny V. Dikarev; Andrei V. Shevelkov","Reduction of the Host Cationic Framework Charge by Isoelectronic Substitution: Synthesis and Structure of Hg7Ag2P8X6 (X = Br, I) and Hg6Ag4P8Br6","Inorganic Chemistry","2005","44","","9622","9624","10.1021/ic0513944","","","0.71073","MoKα","","0.0374","0.0356","","","0.0957","0.0968","","","","","","1.203","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310256","13.1464","0.0017","11.037","0.0014","8.3358","0.0011","90","","102.21","0.002","90","","1182.1","0.3","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","mercury(II) silver(I) phosphide iodide","","","- Ag2 Hg7 I6 P8 -","- Ag2 Hg7 I6 P8 -","- Ag4 Hg14 I12 P16 -","2","0.25","","Olga S. Oleneva; Andrei V. Olenev; Tatiana A. Shestimerova; Alexey I. Baranov; Evgeny V. Dikarev; Andrei V. Shevelkov","Reduction of the Host Cationic Framework Charge by Isoelectronic Substitution: Synthesis and Structure of Hg7Ag2P8X6 (X = Br, I) and Hg6Ag4P8Br6","Inorganic Chemistry","2005","44","","9622","9624","10.1021/ic0513944","","","0.71073","MoKα","","0.0388","0.036","","","0.0912","0.0924","","","","","","1.118","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310257","10.832","0.0004","10.832","0.0004","16.5125","0.0012","90","","90","","120","","1677.88","0.15","173","2","173","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","mercury(II) silver(I) phosphide bromide","","","- Ag4 Br6 Hg6 P8 -","- Ag4 Br6 Hg6 P8 -","- Ag12 Br18 Hg18 P24 -","3","0.0833333","","Olga S. Oleneva; Andrei V. Olenev; Tatiana A. Shestimerova; Alexey I. Baranov; Evgeny V. Dikarev; Andrei V. Shevelkov","Reduction of the Host Cationic Framework Charge by Isoelectronic Substitution: Synthesis and Structure of Hg7Ag2P8X6 (X = Br, I) and Hg6Ag4P8Br6","Inorganic Chemistry","2005","44","","9622","9624","10.1021/ic0513944","","","0.71073","MoKα","","0.0463","0.0462","","","0.1656","0.1657","","","","","","1.379","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310258","8.1026","0.0011","12.9398","0.0017","11.2969","0.0016","90","","91.735","0.003","90","","1183.9","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Timothy G. Carter; Elisabeth Rather Healey; Melanie A. Pitt; Darren W. Johnson","Secondary Bonding Interactions Observed in Two Arsenic Thiolate Complexes","Inorganic Chemistry","2005","44","","9634","9636","10.1021/ic051522o","","","0.71073","MoKα","","0.132","0.0614","","","0.1487","0.1827","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310259","7.9782","0.0007","18.8417","0.0016","20.3116","0.0017","97.856","0.002","97.098","0.002","91.123","0.002","2999.4","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H21 As Cl4 N2 O4 S2 -","- C29 H21 As Cl4 N2 O4 S2 -","- C116 H84 As4 Cl16 N8 O16 S8 -","4","2","","Timothy G. Carter; Elisabeth Rather Healey; Melanie A. Pitt; Darren W. Johnson","Secondary Bonding Interactions Observed in Two Arsenic Thiolate Complexes","Inorganic Chemistry","2005","44","","9634","9636","10.1021/ic051522o","","","0.71073","MoKα","","0.178","0.0706","","","0.1093","0.1428","","","","","","0.943","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310260","14.8242","0.0019","10.6849","0.0013","24.91","0.003","90","","103.239","0.004","90","","3840.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 As N3 O10 S3 -","- C42 H30 As N3 O10 S3 -","- C168 H120 As4 N12 O40 S12 -","4","1","","Timothy G. Carter; Elisabeth Rather Healey; Melanie A. Pitt; Darren W. Johnson","Secondary Bonding Interactions Observed in Two Arsenic Thiolate Complexes","Inorganic Chemistry","2005","44","","9634","9636","10.1021/ic051522o","","","0.71073","MoKα","","0.2846","0.0931","","","0.1734","0.2456","","","","","","0.941","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310261","9.973","0.002","10.246","0.002","13.625","0.003","94.14","0.03","93.63","0.03","110.42","0.03","1295.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 Au N13 -","- C4 H12 Au N13 -","- C16 H48 Au4 N52 -","4","2","","Klapötke, Thomas M.; Krumm, Burkhard; Galvez-Ruiz, Juan-Carlos; Nöth, Heinrich","Highly Sensitive Ammonium Tetraazidoaurates(III)","Inorganic Chemistry","2005","44","26","9625","9627","10.1021/ic051543i","","","0.71073","MoKα","","0.07","0.0444","","","0.1116","0.124","","","","","","0.954","","","","has coordinates","210300","2020-10-21","18:00:00",""
"4310262","49.218","0.003","7.7609","0.0004","5.4452","0.0003","90","","128.119","0.003","90","","1636.35","0.17","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 Ca O10 P2 -","- C14 Ca O10 P2 -","- C56 Ca4 O40 P8 -","4","0.5","","Jan Svoboda; Vítězslav Zima; Ludvík Beneš; Klára Melánová; Milan Vlček","Synthesis and Characterization of New Calcium Phenylphosphonates and 4-Carboxyphenylphosphonates","Inorganic Chemistry","2005","44","","9968","9976","10.1021/ic051606x","","","","","","","","","","","","","","","","","","","","","has coordinates","208247","2020-10-21","18:00:00",""
"4310263","15.437","0.002","12.0378","0.0018","14.834","0.002","90","","103.043","0.003","90","","2685.4","0.6","243","2","243","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","HMoP4(benzoate)","","","- C19 H42 Mo O2 P4 -","- C19 H42 Mo O2 P4 -","- C76 H168 Mo4 O8 P16 -","4","0.5","","Guang Zhu; Gerard Parkin","Synthesis and Structural Characterization of M(PMe3)3(O2CR)2(OH2)H2 (M = Mo, W): Aqua-Hydride Complexes of Molybdenum and Tungsten","Inorganic Chemistry","2005","44","","9637","9639","10.1021/ic051617q","","","0.71073","MoKα","","0.0542","0.0371","","","0.0839","0.0907","","","","","","1.011","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310264","9.61","0.0007","15.0931","0.0011","20.4151","0.0015","90","","102.723","0.001","90","","2888.4","0.4","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(ButCOO)2Mo(PMe3)3H2(OH2)","","","- C19 H49 Mo O5 P3 -","- C19 H49 Mo O5 P3 -","- C76 H196 Mo4 O20 P12 -","4","1","","Guang Zhu; Gerard Parkin","Synthesis and Structural Characterization of M(PMe3)3(O2CR)2(OH2)H2 (M = Mo, W): Aqua-Hydride Complexes of Molybdenum and Tungsten","Inorganic Chemistry","2005","44","","9637","9639","10.1021/ic051617q","","","0.71073","MoKα","","0.0316","0.0253","","","0.0648","0.0681","","","","","","1.034","","","","has coordinates,has disorder","179141","2020-10-21","18:00:00",""
"4310265","11.0624","0.0007","16.4631","0.0011","15.3066","0.0009","90","","92.591","0.001","90","","2784.8","0.3","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(ButCOO)2Mo(PMe3)3H2","","","- C19 H47 Mo O4 P3 -","- C19 H47 Mo O4 P3 -","- C76 H188 Mo4 O16 P12 -","4","1","","Guang Zhu; Gerard Parkin","Synthesis and Structural Characterization of M(PMe3)3(O2CR)2(OH2)H2 (M = Mo, W): Aqua-Hydride Complexes of Molybdenum and Tungsten","Inorganic Chemistry","2005","44","","9637","9639","10.1021/ic051617q","","","0.71073","MoKα","","0.0318","0.0241","","","0.0617","0.0646","","","","","","1.029","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310266","9.6337","0.0012","17.965","0.003","15.617","0.002","90","","90","0.002","90","","2702.8","0.7","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Benzoate)MoP4H","","","- C19 H42 Mo O2 P4 -","- C19 H42 Mo O2 P4 -","- C76 H168 Mo4 O8 P16 -","4","1","","Guang Zhu; Gerard Parkin","Synthesis and Structural Characterization of M(PMe3)3(O2CR)2(OH2)H2 (M = Mo, W): Aqua-Hydride Complexes of Molybdenum and Tungsten","Inorganic Chemistry","2005","44","","9637","9639","10.1021/ic051617q","","","0.71073","MoKα","","0.0612","0.0488","","","0.1286","0.1368","","","","","","1.014","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310267","9.5652","0.0006","15.1141","0.001","20.43","0.0013","90","","102.804","0.002","90","","2880.1","0.3","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(ButCOO)2W(PMe3)3H2(OH2)","","","- C19 H49 O5 P3 W -","- C19 H49 O5 P3 W -","- C76 H196 O20 P12 W4 -","4","1","","Guang Zhu; Gerard Parkin","Synthesis and Structural Characterization of M(PMe3)3(O2CR)2(OH2)H2 (M = Mo, W): Aqua-Hydride Complexes of Molybdenum and Tungsten","Inorganic Chemistry","2005","44","","9637","9639","10.1021/ic051617q","","","0.71073","MoKα","","0.0344","0.0226","","","0.0485","0.051","","","","","","1.007","","","","has coordinates,has disorder","179141","2020-10-21","18:00:00",""
"4310268","11.0303","0.0009","16.4864","0.0013","15.3533","0.0012","90","","92.425","0.002","90","","2789.5","0.4","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(ButCOO)2W(PMe3)3H2","","","- C19 H47 O4 P3 W -","- C19 H47 O4 P3 W -","- C76 H188 O16 P12 W4 -","4","1","","Guang Zhu; Gerard Parkin","Synthesis and Structural Characterization of M(PMe3)3(O2CR)2(OH2)H2 (M = Mo, W): Aqua-Hydride Complexes of Molybdenum and Tungsten","Inorganic Chemistry","2005","44","","9637","9639","10.1021/ic051617q","","","0.71073","MoKα","","0.029","0.0244","","","0.0629","0.0652","","","","","","0.989","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4312302","15.4537","0.0011","31.618","0.002","16.6979","0.0011","90","","101.66","0.003","90","","7990.5","0.9","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H89 Cu4 N11 O45 P2 -","- C60 H46 Cu4 N11 O45 P2 -","- C240 H184 Cu16 N44 O180 P8 -","4","2","","Merii Kato; Tomoaki Tanase","Tetranuclear Copper(II) Complex with Glucose-1-phosphate and Its Phosphate Ester Exchange with ATP","Inorganic Chemistry","2005","44","","8","10","10.1021/ic0487631","","","0.7107","MoKα","","0.0686","0.0517","","","0.1241","0.1357","","","","","","1.02","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4327313","25.401","0.002","11.6983","0.0011","30.425","0.003","90","","113.643","0.002","90","","8281.9","1.3","206","2","206","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 N4 O V -","- C43 H64 N4 O V -","- C344 H512 N32 O8 V8 -","8","1","","Indu Vidyaratne; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Dinitrogen Partial Reduction by Formally Zero- and Divalent Vanadium Complexes Supported by the Bis-iminopyridine System","Inorganic Chemistry","2005","44","","1187","1189","10.1021/ic048358+","","","0.71073","MoKα","","0.1107","0.0658","","","0.142","0.1575","","","","","","1.038","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327314","25.093","0.004","11.7898","0.0018","30.183","0.005","90","","112.754","0.003","90","","8234","2","208","2","208","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H56 N4 O V -","- C37 H49 N4 O V -","- C296 H392 N32 O8 V8 -","8","1","","Indu Vidyaratne; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Dinitrogen Partial Reduction by Formally Zero- and Divalent Vanadium Complexes Supported by the Bis-iminopyridine System","Inorganic Chemistry","2005","44","","1187","1189","10.1021/ic048358+","","","0.71073","MoKα","","0.0999","0.0634","","","0.1568","0.1714","","","","","","1.004","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327315","13.351","0.005","13.715","0.005","17.502","0.005","82.88","0.005","74.84","0.005","68.81","0.005","2882.6","1.7","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H53 Cl6 P4 Rh S2 -","- C60 H49 Cl2 P4 Rh S2 -","- C120 H98 Cl4 P8 Rh2 S4 -","2","1","","Marjolaine Doux; Nicolas Mézailles; Louis Ricard; Pascal Le Floch; Prashant Adkine; Théo Berclaz; Michel Geoffroy","Synthesis and X-ray Crystal Structure of a Cationic Homoleptic (SPS)2Rh(III) Complex and EPR Study of Its Reduction Process","Inorganic Chemistry","2005","44","","1147","1152","10.1021/ic049046+","","","0.71069","MoKα","","0.0491","0.0401","","","0.1179","0.1246","","","","","","1.094","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327316","16.812","0.001","17.628","0.001","20.168","0.001","106.398","0.001","93.68","0.001","117.576","0.001","4947.3","0.5","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C90 H74 Cl19 P6 Rh S4 -","- C87 H71 Cl10 P6 Rh S4 -","- C174 H142 Cl20 P12 Rh2 S8 -","2","1","","Marjolaine Doux; Nicolas Mézailles; Louis Ricard; Pascal Le Floch; Prashant Adkine; Théo Berclaz; Michel Geoffroy","Synthesis and X-ray Crystal Structure of a Cationic Homoleptic (SPS)2Rh(III) Complex and EPR Study of Its Reduction Process","Inorganic Chemistry","2005","44","","1147","1152","10.1021/ic049046+","","","0.71069","MoKα","","0.0666","0.0547","","","0.1625","0.1706","","","","","","1.104","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327317","9.5204","0.0001","10.8559","0.0001","17.9731","0.0003","95.2323","0.0006","99.5846","0.0006","100.587","0.0005","1786.18","0.04","200","","200","","","","","","","","?","5","P -1","-P 1","2","","","","- C33 H25 Ir3 O10 W2 -","- C33 H25 Ir3 O10 W2 -","- C66 H50 Ir6 O20 W4 -","2","1","","Gulliver T. Dalton; Lydie Viau; Susan M. Waterman; Mark G. Humphrey; Michael I. Bruce; Paul J. Low; Rachel L. Roberts; Anthony C. Willis; George A. Koutsantonis; Brian W. Skelton; Allan H. White","Mixed-Metal Cluster Chemistry. 28. Core Enlargement of Tungsten-Iridium Clusters with Alkynyl, Ethyndiyl, and Butadiyndiyl Reagents","Inorganic Chemistry","2005","44","","3261","3269","10.1021/ic050040+","","","0.71073","MoKα","","","0.0302","","","","0.035","","","","","","1.0503","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327318","12.6651","0.0009","16.12","0.001","22.176","0.002","85.326","0.002","76.885","0.002","85.912","0.002","4388.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.5 H37 Cl2 Ir3 O8 W3 -","- C44.5 H37 Cl2 Ir3 O8 W3 -","- C178 H148 Cl8 Ir12 O32 W12 -","4","2","","Gulliver T. Dalton; Lydie Viau; Susan M. Waterman; Mark G. Humphrey; Michael I. Bruce; Paul J. Low; Rachel L. Roberts; Anthony C. Willis; George A. Koutsantonis; Brian W. Skelton; Allan H. White","Mixed-Metal Cluster Chemistry. 28. Core Enlargement of Tungsten-Iridium Clusters with Alkynyl, Ethyndiyl, and Butadiyndiyl Reagents","Inorganic Chemistry","2005","44","","3261","3269","10.1021/ic050040+","","","0.71073","MoKα","","0.091","0.053","","0.067","","0.061","","","1.067","","","1.184","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327319","14.919","0.001","11.864","0.001","16.223","0.001","90","","90","","90","","2871.5","0.4","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H15 Ir3 O10 Ru2 W -","- C27 H15 Ir3 O10 Ru2 W -","- C108 H60 Ir12 O40 Ru8 W4 -","4","1","","Gulliver T. Dalton; Lydie Viau; Susan M. Waterman; Mark G. Humphrey; Michael I. Bruce; Paul J. Low; Rachel L. Roberts; Anthony C. Willis; George A. Koutsantonis; Brian W. Skelton; Allan H. White","Mixed-Metal Cluster Chemistry. 28. Core Enlargement of Tungsten-Iridium Clusters with Alkynyl, Ethyndiyl, and Butadiyndiyl Reagents","Inorganic Chemistry","2005","44","","3261","3269","10.1021/ic050040+","","","0.71073","MoKα","","0.052","0.038","","0.05","","0.044","","","1.052","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327320","10.119","0.0001","15.0991","0.0001","22.4328","0.0002","90","","101.776","0.0005","90","","3355.32","0.05","200","","200","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 Ir2 O10 Ru2 W2 -","- C34 H20 Ir2 O10 Ru2 W2 -","- C136 H80 Ir8 O40 Ru8 W8 -","4","1","","Gulliver T. Dalton; Lydie Viau; Susan M. Waterman; Mark G. Humphrey; Michael I. Bruce; Paul J. Low; Rachel L. Roberts; Anthony C. Willis; George A. Koutsantonis; Brian W. Skelton; Allan H. White","Mixed-Metal Cluster Chemistry. 28. Core Enlargement of Tungsten-Iridium Clusters with Alkynyl, Ethyndiyl, and Butadiyndiyl Reagents","Inorganic Chemistry","2005","44","","3261","3269","10.1021/ic050040+","","","0.71073","MoKα","","","0.0206","","","","0.0231","","","","","","1.0609","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327321","10.3264","0.0001","13.5767","0.0002","15.6551","0.0003","103.9","0.0008","93.3532","0.001","95.1018","0.001","2114.86","0.06","200","","200","","","","","","","","?","6","P -1","-P 1","2","","","","- C38 H27 Cl2 Ir3 O13 W3 -","- C38 H27 Cl2 Ir3 O13 W3 -","- C76 H54 Cl4 Ir6 O26 W6 -","2","1","","Gulliver T. Dalton; Lydie Viau; Susan M. Waterman; Mark G. Humphrey; Michael I. Bruce; Paul J. Low; Rachel L. Roberts; Anthony C. Willis; George A. Koutsantonis; Brian W. Skelton; Allan H. White","Mixed-Metal Cluster Chemistry. 28. Core Enlargement of Tungsten-Iridium Clusters with Alkynyl, Ethyndiyl, and Butadiyndiyl Reagents","Inorganic Chemistry","2005","44","","3261","3269","10.1021/ic050040+","","","0.71073","MoKα","","0.0363","0.033","","0.0413","0.039","0.039","","","","","","0.9797","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327322","16.285","0.003","16.556","0.003","27.839","0.005","83.524","0.003","74.242","0.003","70.34","0.003","6801","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H194 Mn12 N2 O48 -","- C99 H184.404 Mn12 O48 -","- C198 H368.808 Mn24 O96 -","2","1","","Nicole E. Chakov; Lev N. Zakharov; Arnold L. Rheingold; Khalil A. Abboud; George Christou","New Polynuclear Manganese Clusters from the Use of the Hydrophobic Carboxylate Ligand 2,2-Dimethylbutyrate","Inorganic Chemistry","2005","44","","4555","4567","10.1021/ic050201+","","","0.71073","MoKα","","0.1226","0.0836","","","0.1993","0.2169","","","","","","1.056","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327323","15.98","0.002","21.255","0.003","30.57","0.004","90","","101.675","0.002","90","","10168","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81.5 H147 Cl Mn6 O32 -","- C80.75 H134 Cl0.25 Mn6 O32 -","- C323 H536 Cl Mn24 O128 -","4","1","","Nicole E. Chakov; Lev N. Zakharov; Arnold L. Rheingold; Khalil A. Abboud; George Christou","New Polynuclear Manganese Clusters from the Use of the Hydrophobic Carboxylate Ligand 2,2-Dimethylbutyrate","Inorganic Chemistry","2005","44","","4555","4567","10.1021/ic050201+","","","0.71073","MoKα","","0.1014","0.0697","","","0.1769","0.2045","","","","","","1.089","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327324","25.9274","0.0014","19.6851","0.001","21.1978","0.0012","90","","90","","90","","10819","1","218","2","218","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C79 H140 Mn9 O39 -","- C73 H110 Mn9 O37 -","- C292 H440 Mn36 O148 -","4","0.5","","Nicole E. Chakov; Lev N. Zakharov; Arnold L. Rheingold; Khalil A. Abboud; George Christou","New Polynuclear Manganese Clusters from the Use of the Hydrophobic Carboxylate Ligand 2,2-Dimethylbutyrate","Inorganic Chemistry","2005","44","","4555","4567","10.1021/ic050201+","","","0.71073","MoKα","","0.0771","0.0659","","","0.1805","0.1897","","","","","","1.034","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327325","12.9936","0.001","18.8216","0.0014","14.0822","0.001","90","","107.174","0.001","90","","3290.4","0.4","218","2","218","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H45 Mn2 N2 O9 -","- C28 H38 Mn2 N2 O9 -","- C112 H152 Mn8 N8 O36 -","4","1","","Nicole E. Chakov; Lev N. Zakharov; Arnold L. Rheingold; Khalil A. Abboud; George Christou","New Polynuclear Manganese Clusters from the Use of the Hydrophobic Carboxylate Ligand 2,2-Dimethylbutyrate","Inorganic Chemistry","2005","44","","4555","4567","10.1021/ic050201+","","","0.71073","MoKα","","0.063","0.053","","","0.1542","0.1649","","","","","","1.034","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327326","6.3833","0.0013","7.1439","0.0014","9.5366","0.0019","91.89","0.03","91.45","0.03","94.05","0.03","433.4","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag Bi P2 S6 -","- Ag Bi P2 S6 -","- Ag2 Bi2 P4 S12 -","2","1","","Matthew A. Gave; Daniel Bilc; S. D. Mahanti; Jean D. Breshears; Mercouri G. Kanatzidis","On the Lamellar Compounds CuBiP2Se6, AgBiP2Se6 and AgBiP2S6. Antiferroelectric Phase Transitions Due to Cooperative Cu+ and Bi3+ Ion Motion","Inorganic Chemistry","2005","44","","5293","5303","10.1021/ic050357+","","","0.71073","MoKα","","0.0422","0.0369","","","0.0837","0.0917","","","","","","1.073","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327327","6.6524","0.0013","6.6524","0.0013","39.615","0.015","90","","90","","120","","1518.3","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ag Bi P2 Se6 -","- Ag Bi P2 Se6 -","- Ag6 Bi6 P12 Se36 -","6","0.333333","","Matthew A. Gave; Daniel Bilc; S. D. Mahanti; Jean D. Breshears; Mercouri G. Kanatzidis","On the Lamellar Compounds CuBiP2Se6, AgBiP2Se6 and AgBiP2S6. Antiferroelectric Phase Transitions Due to Cooperative Cu+ and Bi3+ Ion Motion","Inorganic Chemistry","2005","44","","5293","5303","10.1021/ic050357+","","","0.71073","MoKα","","0.0446","0.037","","","0.0936","0.0982","","","","","","1.124","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327328","6.5532","0.0016","6.5532","0.0016","39.762","0.013","90","","90","","120","","1478.8","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Bi Cu P2 Se6 -","- Bi Cu P2 Se6 -","- Bi6 Cu6 P12 Se36 -","6","0.333333","","Matthew A. Gave; Daniel Bilc; S. D. Mahanti; Jean D. Breshears; Mercouri G. Kanatzidis","On the Lamellar Compounds CuBiP2Se6, AgBiP2Se6 and AgBiP2S6. Antiferroelectric Phase Transitions Due to Cooperative Cu+ and Bi3+ Ion Motion","Inorganic Chemistry","2005","44","","5293","5303","10.1021/ic050357+","","","0.71073","MoKα","","0.0504","0.0481","","","0.116","0.1168","","","","","","1.199","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327329","6.5591","0.001","6.5591","0.001","79.385","0.018","90","","90","","120","","2957.7","0.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Bi Cu P2 Se6 -","- Bi Cu P2 Se6 -","- Bi12 Cu12 P24 Se72 -","12","0.666667","","Matthew A. Gave; Daniel Bilc; S. D. Mahanti; Jean D. Breshears; Mercouri G. Kanatzidis","On the Lamellar Compounds CuBiP2Se6, AgBiP2Se6 and AgBiP2S6. Antiferroelectric Phase Transitions Due to Cooperative Cu+ and Bi3+ Ion Motion","Inorganic Chemistry","2005","44","","5293","5303","10.1021/ic050357+","","","0.71073","MoKα","","0.091","0.0786","","","0.2064","0.2117","","","","","","1.175","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327330","6.541","0.0009","6.541","0.0009","13.263","0.003","90","","90","","120","","491.43","0.15","293","2","293","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- Bi Cu P2 Se6 -","- Bi Cu P2 Se6 -","- Bi2 Cu2 P4 Se12 -","2","0.166667","","Matthew A. Gave; Daniel Bilc; S. D. Mahanti; Jean D. Breshears; Mercouri G. Kanatzidis","On the Lamellar Compounds CuBiP2Se6, AgBiP2Se6 and AgBiP2S6. Antiferroelectric Phase Transitions Due to Cooperative Cu+ and Bi3+ Ion Motion","Inorganic Chemistry","2005","44","","5293","5303","10.1021/ic050357+","","","0.71073","MoKα","","0.0549","0.0494","","","0.133","0.1389","","","","","","1.232","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327331","11.141","0.0001","19.371","0.0002","22.322","0.0003","90","","99.871","0.001","90","","4746.05","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H69 Ba2 Co N4 O12 -","- C36 H69 Ba2 Co N4 O12 -","- C144 H276 Ba8 Co4 N16 O48 -","4","1","","Asif A. Tahir; Kieran C. Molloy; Muhammad Mazhar; Gabriele Kociok-Köhn; Mazhar Hamid; Sarim Dastgir","Synthesis and Structural Characterization of a New Heterobimetallic Coordination Complex of Barium and Cobalt for Use as a Precursor for Chemical Vapor Deposition","Inorganic Chemistry","2005","44","","9207","9212","10.1021/ic050564+","","","0.71073","MoKα","","0.0631","0.038","","","0.0766","0.0862","","","","","","1.032","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327332","11.187","0.0004","17.343","0.0007","20.167","0.0008","97.629","0.002","97.176","0.002","98.173","0.001","3797.2","0.3","100","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H86 Cl6 N2 O3 P2 Zr2 -","- C71 H86 Cl6 N3 O3 P2 Zr2 -","- C142 H172 Cl12 N6 O6 P4 Zr4 -","2","1","","Pin-Shu Chien; Lan-Chang Liang","Zirconium and Hafnium Complexes Containing Bidentate Diarylamido-Phosphine Ligands","Inorganic Chemistry","2005","44","","5147","5151","10.1021/ic050599+","","","0.71073","MoKα","","0.1716","0.0922","","","0.257","0.3161","","","","","","1.052","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327333","13.873","0.0004","18.947","0.0006","18.446","0.0007","90","","94.88","0.001","90","","4831","0.3","100","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 Cl2 N2 O P2 Zr -","- C56 H54 Cl2 N2 O P2 Zr -","- C224 H216 Cl8 N8 O4 P8 Zr4 -","4","1","","Pin-Shu Chien; Lan-Chang Liang","Zirconium and Hafnium Complexes Containing Bidentate Diarylamido-Phosphine Ligands","Inorganic Chemistry","2005","44","","5147","5151","10.1021/ic050599+","","","0.71073","MoKα","","0.1267","0.0761","","","0.1701","0.2132","","","","","","1.169","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327334","14.906","0.0002","18.972","0.0004","16.323","0.0003","90","","105.933","0.001","90","","4438.75","0.14","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Cl2 Hf N2 O0 P2 -","- C52 H46 Cl2 Hf N2 P2 -","- C208 H184 Cl8 Hf4 N8 P8 -","4","0.5","","Pin-Shu Chien; Lan-Chang Liang","Zirconium and Hafnium Complexes Containing Bidentate Diarylamido-Phosphine Ligands","Inorganic Chemistry","2005","44","","5147","5151","10.1021/ic050599+","","","0.71073","MoKα","","0.0304","0.0247","","","0.0704","0.0904","","","","","","1.237","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327335","11.0251","0.0008","21.066","0.0015","18.6203","0.0013","90","","93.831","0.002","90","","4315","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","5","","","- C34 H39 Ag3 B3 F12 N11 -","- C34 H39 Ag3 B3 F12 N11 -","- C136 H156 Ag12 B12 F48 N44 -","4","1","","Vincent J. Catalano; Adam L. Moore","Mono-, Di-, and Trinuclear Luminescent Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes Derived from the Picolyl-Substituted Methylimidazolium Salt: 1-Methyl-3-(2-pyridinylmethyl)-1H-imidazolium Tetrafluoroborate","Inorganic Chemistry","2005","44","","6558","6566","10.1021/ic050604+","","","0.71073","MoKα","","0.0444","0.0366","","","0.0531","0.0556","","","","","","1.003","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327336","13.777","0.0003","11.3666","0.0003","14.738","0.0003","90","","110.57","0.01","90","","2160.79","0.17","100","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1","","","- C20 H22 Ag B F4 N6 -","- C20 H22 Ag B F4 N6 -","- C80 H88 Ag4 B4 F16 N24 -","4","1","","Vincent J. Catalano; Adam L. Moore","Mono-, Di-, and Trinuclear Luminescent Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes Derived from the Picolyl-Substituted Methylimidazolium Salt: 1-Methyl-3-(2-pyridinylmethyl)-1H-imidazolium Tetrafluoroborate","Inorganic Chemistry","2005","44","","6558","6566","10.1021/ic050604+","","","0.71073","MoKα","","0.0249","0.0227","","","0.0591","0.0606","","","","","","1.06","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327337","11.0992","0.0006","20.2363","0.0011","19.301","0.001","90","","92.251","0.001","90","","4331.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2","","","- C40 H44 Au2 B2 F8 N12 -","- C80 H88 Au4 B4 F16 N24 -","- C160 H176 Au8 B8 F32 N48 -","2","0.5","","Vincent J. Catalano; Adam L. Moore","Mono-, Di-, and Trinuclear Luminescent Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes Derived from the Picolyl-Substituted Methylimidazolium Salt: 1-Methyl-3-(2-pyridinylmethyl)-1H-imidazolium Tetrafluoroborate","Inorganic Chemistry","2005","44","","6558","6566","10.1021/ic050604+","","","0.71073","MoKα","","0.0592","0.0363","","","0.0826","0.1021","","","","","","0.866","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327338","15.5514","0.0006","13.2092","0.0005","12.305","0.0005","90","","90","","90","","2527.71","0.17","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","3","","","- C20 H22 Ag Au B2 F8 N6 -","- C20 H22 Ag Au B2 F8 N6 -","- C80 H88 Ag4 Au4 B8 F32 N24 -","4","0.5","","Vincent J. Catalano; Adam L. Moore","Mono-, Di-, and Trinuclear Luminescent Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes Derived from the Picolyl-Substituted Methylimidazolium Salt: 1-Methyl-3-(2-pyridinylmethyl)-1H-imidazolium Tetrafluoroborate","Inorganic Chemistry","2005","44","","6558","6566","10.1021/ic050604+","","","0.71073","MoKα","","0.0346","0.0288","","","0.0695","0.072","","","","","","1.084","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327339","21.2362","0.0006","12.1942","0.0003","21.2244","0.0006","90","","109.89","0.001","90","","5168.4","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","4","","","- C21 H22 Au2 B2 F8 N6 O0.5 -","- C20.25 H22 Au2 B2 F8 N6 O0.25 -","- C162 H176 Au16 B16 F64 N48 O2 -","8","1","","Vincent J. Catalano; Adam L. Moore","Mono-, Di-, and Trinuclear Luminescent Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes Derived from the Picolyl-Substituted Methylimidazolium Salt: 1-Methyl-3-(2-pyridinylmethyl)-1H-imidazolium Tetrafluoroborate","Inorganic Chemistry","2005","44","","6558","6566","10.1021/ic050604+","","","0.71073","MoKα","","0.0714","0.0661","","","0.1679","0.1725","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327340","9.7631","0.0004","10.6766","0.0004","19.9719","0.0008","83.047","0.001","83.902","0.001","64.314","0.001","1858.92","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Eu2 Fe2 N22 O16 -","- C62 H58 Eu2 Fe2 N22 O16 -","- C62 H58 Eu2 Fe2 N22 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0315","0.0275","","","0.0701","0.0717","","","","","","1.043","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327341","9.7458","0.0005","10.6465","0.0005","19.9583","0.001","83.165","0.001","84.099","0.001","64.131","0.001","1847.09","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Fe2 N22 O16 Tb2 -","- C62 H60 Fe2 N22 O16 Tb2 -","- C62 H60 Fe2 N22 O16 Tb2 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0289","0.0253","","","0.0649","0.0667","","","","","","1.02","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327342","9.7403","0.0008","10.6329","0.0008","19.9447","0.0016","83.286","0.001","84.284","0.001","63.994","0.001","1841","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Dy2 Fe2 N22 O16 -","- C62 H60 Dy2 Fe2 N22 O16 -","- C62 H60 Dy2 Fe2 N22 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0279","0.0239","","","0.0602","0.0616","","","","","","1.02","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327343","9.743","0.0004","10.6165","0.0004","19.9746","0.0008","83.294","0.001","84.4","0.001","63.983","0.001","1841.54","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Fe2 Ho2 N22 O16 -","- C62 H62 Fe2 Ho2 N22 O16 -","- C62 H62 Fe2 Ho2 N22 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0305","0.027","","","0.0693","0.0709","","","","","","1.044","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327344","9.7267","0.0006","10.5917","0.0006","19.748","0.0012","83.205","0.001","84.222","0.001","63.997","0.001","1812.97","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Er2 Fe2 N22 O16 -","- C62 H52 Er2 Fe2 N22 O16 -","- C62 H52 Er2 Fe2 N22 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0434","0.0328","","","0.0846","0.1103","","","","","","1.126","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327345","9.7316","0.0007","10.593","0.0007","19.9733","0.0013","83.356","0.001","84.571","0.001","63.808","0.001","1833","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Fe2 N22 O16 Tm2 -","- C62 H64 Fe2 N22 O16 Tm2 -","- C62 H64 Fe2 N22 O16 Tm2 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0259","0.0219","","","0.0523","0.0534","","","","","","1.045","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327346","9.7263","0.0006","10.6415","0.0007","20.0284","0.0013","83.022","0.001","84.001","0.001","64.217","0.001","1849.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Co2 Eu2 N22 O16 -","- C62 H64 Co2 Eu2 N22 O16 -","- C62 H64 Co2 Eu2 N22 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0325","0.0267","","","0.0645","0.0666","","","","","","1.016","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327347","9.7128","0.0011","10.5886","0.0012","20.017","0.002","83.262","0.002","84.258","0.002","64.088","0.002","1836.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Co2 N22 O16 Tb2 -","- C62 H64 Co2 N22 O16 Tb2 -","- C62 H64 Co2 N22 O16 Tb2 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0301","0.0281","","","0.0897","0.0907","","","","","","1.091","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327348","9.7016","0.0004","10.5779","0.0005","20.0008","0.0009","83.254","0.001","84.352","0.001","63.971","0.001","1829.05","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Co2 Dy2 N22 O16 -","- C62 H64 Co2 Dy2 N22 O16 -","- C62 H64 Co2 Dy2 N22 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0248","0.0218","","","0.0541","0.0552","","","","","","1.034","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327349","9.6954","0.0004","10.5647","0.0004","20.0042","0.0007","83.317","0.001","84.451","0.001","63.857","0.001","1824.52","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H76 Co2 Ho2 N22 O16 -","- C62 H64 Co2 Ho2 N22 O16 -","- C62 H64 Co2 Ho2 N22 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0317","0.0262","","","0.0627","0.065","","","","","","1","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327350","9.6897","0.0004","10.5492","0.0005","20.0209","0.0009","83.355","0.001","84.575","0.001","63.802","0.001","1821.77","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H76 Co2 Er2 N22 O18 -","- C62 H64 Co2 Er2 N22 O18 -","- C62 H64 Co2 Er2 N22 O18 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0352","0.0331","","","0.0883","0.0897","","","","","","1.034","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327351","9.6883","0.0005","10.5465","0.0005","20.0435","0.001","83.388","0.001","84.632","0.001","63.789","0.001","1823.09","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Co2 N22 O16 Tm2 -","- C62 H64 Co2 N22 O16 Tm2 -","- C62 H64 Co2 N22 O16 Tm2 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0263","0.0236","","","0.059","0.0599","","","","","","1.048","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327352","9.694","0.012","10.587","0.013","19.98","0.02","83.9","0.02","85.05","0.02","63.536","0.018","1824","4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Fe2 Lu2 N22 O16 -","- C62 H64 Fe2 Lu2 N22 O16 -","- C62 H64 Fe2 Lu2 N22 O16 -","1","0.5","","Albert Figuerola; Joan Ribas; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz","Magnetism of Cyano-Bridged Ln3±M3+ Complexes. Part II: One-Dimensional Complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as Blocking Ligand","Inorganic Chemistry","2005","44","","6949","6958","10.1021/ic050650+","","","0.71073","MoKα","","0.0277","0.0246","","","0.0608","0.0619","","","","","","1.066","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327353","11.2129","0.001","14.1419","0.0012","25.91","0.002","95.328","0.002","99.594","0.002","102.581","0.002","3918.1","0.6","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H76 Cl Cu3 F6 O2 P8 S2 -","- C79 H76 Cl Cu3 F6 O2 P8 S2 -","- C158 H152 Cl2 Cu6 F12 O4 P16 S4 -","2","1","","Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu","Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane","Inorganic Chemistry","2005","44","","9921","9929","10.1021/ic051166+","","","0.71073","MoKα","","0.0466","0.0391","","","0.0993","0.1053","","","","","","1.06","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327354","12.812","0.002","15.221","0.003","17.1","0.003","82.275","0.003","83.963","0.003","89.726","0.003","3286","1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H64 Cu3 F6 O4 P7 S4 -","- C58 H64 Cu3 F6 O4 P7 S4 -","- C116 H128 Cu6 F12 O8 P14 S8 -","2","1","","Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu","Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane","Inorganic Chemistry","2005","44","","9921","9929","10.1021/ic051166+","","","0.71073","MoKα","","0.0717","0.0484","","","0.1186","0.1372","","","","","","1.048","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327355","12.8962","0.0017","16.661","0.002","16.876","0.002","81.23","0.002","84.472","0.002","87.297","0.002","3565","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H72 Cu3 F6 O4 P7 S4 -","- C62 H72 Cu3 F6 O4 P7 S4 -","- C124 H144 Cu6 F12 O8 P14 S8 -","2","1","","Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu","Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane","Inorganic Chemistry","2005","44","","9921","9929","10.1021/ic051166+","","","0.71073","MoKα","","0.0621","0.044","","","0.1104","0.1259","","","","","","1.025","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327356","13.4731","0.0006","23.888","0.001","24.6483","0.001","90","","95.986","0.001","90","","7889.7","0.6","298","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 Cu4 O8 P8 S8 -","- C66 H64 Cu4 O8 P8 S8 -","- C264 H256 Cu16 O32 P32 S32 -","4","1","","Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu","Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane","Inorganic Chemistry","2005","44","","9921","9929","10.1021/ic051166+","","","0.71073","MoKα","","0.0594","0.0348","","","0.0859","0.0951","","","","","","0.926","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327357","25.198","0.004","15.99","0.003","25.421","0.004","90","","106.027","0.003","90","","9844","3","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C74 H100 B Cl Cu6 F4 O8 P8 S8 -","- C74 H100 B Cl Cu6 F4 O8 P8 S8 -","- C296 H400 B4 Cl4 Cu24 F16 O32 P32 S32 -","4","1","","Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu","Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane","Inorganic Chemistry","2005","44","","9921","9929","10.1021/ic051166+","","","0.71073","MoKα","","0.0908","0.0543","","","0.131","0.1576","","","","","","1.051","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327358","18.5958","0.0011","15.5449","0.0009","24.486","0.002","90","","90","","90","","7078.2","0.8","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C63 H72 Cl2 Cu2 O4 P6 S4 -","- C63 H72 Cl2 Cu2 O4 P6 S4 -","- C252 H288 Cl8 Cu8 O16 P24 S16 -","4","0.5","","Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu","Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane","Inorganic Chemistry","2005","44","","9921","9929","10.1021/ic051166+","","","0.71073","MoKα","","0.0521","0.0474","","0.1365","0.1311","","","","1.129","1.136","1.136","","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327359","11.752","0.002","13.127","0.002","13.268","0.003","61.126","0.015","76.858","0.008","68.48","0.013","1664.3","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H68 Cl2 Cu2 O4 P6 S4 -","- C61 H68 Cl2 Cu2 O4 P6 S4 -","- C61 H68 Cl2 Cu2 O4 P6 S4 -","1","0.5","","Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu","Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane","Inorganic Chemistry","2005","44","","9921","9929","10.1021/ic051166+","","","0.71073","MoKα","","0.0942","0.0663","","","0.164","0.1862","","","","","","1.031","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327360","19.672","0.004","17.197","0.002","13.68","0.005","90","","126.67","0.02","90","","3712","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H40 Cl2 Cu O2 P3 S2 -","- C33 H38 Cl2 Cu O2 P3 S2 -","- C132 H152 Cl8 Cu4 O8 P12 S8 -","4","0.5","","Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu","Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane","Inorganic Chemistry","2005","44","","9921","9929","10.1021/ic051166+","","","0.71073","MoKα","","0.1323","0.0622","","","0.1342","0.1705","","","","","","1.025","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327361","24.965","0.003","17.0583","0.0018","20.253","0.002","90","","95.351","0.004","90","","8587.4","1.6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H86 Cl2 Cu3 O2 P7 S2 -","- C84 H86 Cl2 Cu3 O2 P7 S2 -","- C336 H344 Cl8 Cu12 O8 P28 S8 -","4","0.5","","Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu","Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane","Inorganic Chemistry","2005","44","","9921","9929","10.1021/ic051166+","","","0.71073","MoKα","","0.0763","0.0422","","","0.0945","0.1077","","","","","","1.011","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327362","7.7303","0.0006","19.9435","0.0016","10.2616","0.0008","90","","107.671","0.001","90","","1507.4","0.2","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 K3 O15 V -","- C6 H6 K3 O15 V -","- C24 H24 K12 O60 V4 -","4","1","","Kil Sik Min; Arnold L. Rhinegold; Joel S. Miller","Synthesis, Structure, and Magnetic Ordering of Layered (2-D) V-Based Tris(oxalato)metalates","Inorganic Chemistry","2005","44","","8433","8441","10.1021/ic051373+","","","0.71073","MoKα","","0.0332","0.0292","","","0.0772","0.0805","","","","","","1","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4331400","13.714","","13.714","","13.714","","90","","90","","90","","2579.24","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Na3 Ag In2","","- Ag In2 Na3 -","- Ag In2 Na3 -","- Ag16 In32 Na48 -","16","0.0833333","","Corbett, J.D.; Li, B.","Participation of sodium in the bonding of anionic networks: synthesis, structure, and bonding of Na3 M In2 (M = Au, Ag)","Inorganic Chemistry","2005","44","","6515","6517","10.1021/ic050979v","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331446","5.231687","","5.231687","","7.035627","","90","","90","","120","","166.77","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","La Ni4 B","","- B La Ni4 -","- B La Ni4 -","- B2 La2 Ni8 -","2","0.0833333","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","10.1021/ic050416j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331447","4.9698","","7.1337","","8.3001","","90","","90","","90","","294.264","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","La Ni3 B1.79","","- B1.79 La Ni3 -","- B1.79 La Ni3 -","- B7.16 La4 Ni12 -","4","0.25","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","10.1021/ic050416j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331456","9.7745","","5.379","","8.256","","90","","137.196","","90","","294.951","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","La2 Ni5 B4","","- B4 La2 Ni5 -","- B4 La2 Ni5 -","- B8 La4 Ni10 -","2","0.25","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","10.1021/ic050416j","","","","","","","","","","","","","","","","","","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331467","10.7121","0.0014","12.1669","0.0016","13.8915","0.0018","84.123","0.002","77.422","0.002","83.067","0.002","1748.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cl Ho N4 O8 -","- C36 H38 Cl Ho N4 O8 -","- C72 H76 Cl2 Ho2 N8 O16 -","2","1","","González-Lorenzo, Marina; Platas-Iglesias, Carlos; Avecilla, Fernando; Faulkner, Stephen; Pope, Simon J. A.; de Blas, Andrés; Rodríguez-Blas, Teresa","Structural and Photophysical Properties of Lathanide(III) Complexes with a Novel Octadentate Iminophenolate Bibracchial Lariat Ether","Inorganic Chemistry","2005","44","12","4254","4262","10.1021/ic048172a","","x-ray","0.71073","MoKα","","0.1452","0.0623","","","0.1074","0.1308","","","","","","0.987","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4331468","10.6968","0.0007","12.1669","0.0008","13.8704","0.001","84.209","0.001","77.394","0.001","83.182","0.001","1744","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cl Er N4 O8 -","- C36 H38 Cl Er N4 O8 -","- C72 H76 Cl2 Er2 N8 O16 -","2","1","","González-Lorenzo, Marina; Platas-Iglesias, Carlos; Avecilla, Fernando; Faulkner, Stephen; Pope, Simon J. A.; de Blas, Andrés; Rodríguez-Blas, Teresa","Structural and Photophysical Properties of Lathanide(III) Complexes with a Novel Octadentate Iminophenolate Bibracchial Lariat Ether","Inorganic Chemistry","2005","44","12","4254","4262","10.1021/ic048172a","","","0.71073","MoKα","","0.0685","0.0412","","","0.0858","0.0976","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4331469","8.174","0.001","15.558","0.002","17.073","0.002","80.94","0.06","77.4","0.06","77.05","0.06","2051.5","0.8","168","2","168","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl Co N4 O8 -","- C19 H18 Cl Co N4 O8 -","- C76 H72 Cl4 Co4 N16 O32 -","4","2","","Jaffray, Paul M.; McClintock, Lisa F.; Baxter, Kay E.; Blackman, Allan G.","Cobalt(III) Carbonate and Bicarbonate Chelate Complexes of Tripodal Tetraamine Ligands Containing Pyridyl Donors: The Steric Basis for the Stability of Chelated Bicarbonate Complexes","Inorganic Chemistry","2005","44","12","4215","4225","10.1021/ic0482537","","","0.71073","MoKα","","0.2528","0.1158","","","0.2828","0.3605","","","","","","1.002","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331470","8.339","0.004","9.808","0.004","15.627","0.007","73.357","0.006","78.666","0.006","85.522","0.006","1200.4","0.9","168","2","168","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl Co N4 O10 -","- C20 H20 Cl Co N4 O10 -","- C40 H40 Cl2 Co2 N8 O20 -","2","1","","Jaffray, Paul M.; McClintock, Lisa F.; Baxter, Kay E.; Blackman, Allan G.","Cobalt(III) Carbonate and Bicarbonate Chelate Complexes of Tripodal Tetraamine Ligands Containing Pyridyl Donors: The Steric Basis for the Stability of Chelated Bicarbonate Complexes","Inorganic Chemistry","2005","44","12","4215","4225","10.1021/ic0482537","","","0.71073","MoKα","","0.0901","0.0557","","","0.1452","0.1591","","","","","","1.024","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331471","17.717","0.005","18.089","0.005","14.569","0.005","90","0.005","109.892","0.005","90","0.005","4391","2","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cl Co N4 O7 -","- C21 H22 Cl Co N4 O7 -","- C168 H176 Cl8 Co8 N32 O56 -","8","1","","Jaffray, Paul M.; McClintock, Lisa F.; Baxter, Kay E.; Blackman, Allan G.","Cobalt(III) Carbonate and Bicarbonate Chelate Complexes of Tripodal Tetraamine Ligands Containing Pyridyl Donors: The Steric Basis for the Stability of Chelated Bicarbonate Complexes","Inorganic Chemistry","2005","44","12","4215","4225","10.1021/ic0482537","","","0.71069","MoKα","","0.0513","0.0473","","","0.1131","0.1149","","","","","","1.081","","","","has coordinates,has disorder","179417","2020-10-21","18:00:00",""
"4331472","14.865","0.0015","14.8578","0.0014","20.474","0.002","90","","90","","90","","4521.9","0.8","161","2","161","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl Co N4 O7 -","- C22 H24 Cl Co N4 O7 -","- C176 H192 Cl8 Co8 N32 O56 -","8","1","","Jaffray, Paul M.; McClintock, Lisa F.; Baxter, Kay E.; Blackman, Allan G.","Cobalt(III) Carbonate and Bicarbonate Chelate Complexes of Tripodal Tetraamine Ligands Containing Pyridyl Donors: The Steric Basis for the Stability of Chelated Bicarbonate Complexes","Inorganic Chemistry","2005","44","12","4215","4225","10.1021/ic0482537","","","0.71073","MoKα","","0.0697","0.0621","","","0.1218","0.1247","","","","","","1.268","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331473","7.58","0.02","17.64","0.05","20.7","0.06","90","","90","","90","","2768","13","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl4 Co N4 O6 Zn -","- C21 H23 Cl4 Co N4 O6 Zn -","- C84 H92 Cl16 Co4 N16 O24 Zn4 -","4","1","","Jaffray, Paul M.; McClintock, Lisa F.; Baxter, Kay E.; Blackman, Allan G.","Cobalt(III) Carbonate and Bicarbonate Chelate Complexes of Tripodal Tetraamine Ligands Containing Pyridyl Donors: The Steric Basis for the Stability of Chelated Bicarbonate Complexes","Inorganic Chemistry","2005","44","12","4215","4225","10.1021/ic0482537","","","0.71073","MoKα","","0.1926","0.0878","","","0.1867","0.2272","","","","","","1.055","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331474","8.3589","0.0011","13.478","0.002","14.828","0.002","66.895","0.002","77.916","0.003","85.939","0.003","1502.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","CuCNpore","","","- C38 H82 Cu5 N20 O5 -","- C38 H60 Cu5 N20 O5 -","- C38 H60 Cu5 N20 O5 -","1","0.5","","Kim, Do-hyeon; Koo, Ja-eung; Hong, Chang Seop; Oh, Sangjun; Do, Youngkyu","Novel Examples of High-Dimensional Mixed-Valence Copper Cyanide Complexes","Inorganic Chemistry","2005","44","12","4383","4390","10.1021/ic048267c","","","0.71073","MoKα","","0.1166","0.0529","","0.1664","0.1369","","","","0.932","1.104","1.104","","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331475","8.2305","0.0012","9.8861","0.0015","13.219","0.002","84.863","0.003","75.744","0.003","89.818","0.003","1038.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","CuCN1d","","","- C14 H22 Cu3 N8 O -","- C14 H22 Cu3 N8 O -","- C28 H44 Cu6 N16 O2 -","2","1","","Kim, Do-hyeon; Koo, Ja-eung; Hong, Chang Seop; Oh, Sangjun; Do, Youngkyu","Novel Examples of High-Dimensional Mixed-Valence Copper Cyanide Complexes","Inorganic Chemistry","2005","44","12","4383","4390","10.1021/ic048267c","","x-ray","0.71073","MoKα","","0.1559","0.0615","","","0.1449","0.1826","","","","","","0.935","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331476","6.83","0.002","8.482","0.002","17.306","0.004","90","","98.144","0.004","90","","992.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CuCN2d","","","- C7 H12 Cu1.5 N4 -","- C7 H12 Cu1.5 N4 -","- C28 H48 Cu6 N16 -","4","1","","Kim, Do-hyeon; Koo, Ja-eung; Hong, Chang Seop; Oh, Sangjun; Do, Youngkyu","Novel Examples of High-Dimensional Mixed-Valence Copper Cyanide Complexes","Inorganic Chemistry","2005","44","12","4383","4390","10.1021/ic048267c","","","0.71073","MoKα","","0.0531","0.0324","","0.0852","0.0776","","","","1.006","1.097","1.097","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331477","9.4699","0.0011","10.0338","0.0012","12.0635","0.0014","67.325","0.002","75.593","0.002","70.672","0.002","988.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","CuCN1dMeOH","","","- C14 H28 Cu2 N7 O -","- C14 H28 Cu2 N7 O -","- C28 H56 Cu4 N14 O2 -","2","1","","Kim, Do-hyeon; Koo, Ja-eung; Hong, Chang Seop; Oh, Sangjun; Do, Youngkyu","Novel Examples of High-Dimensional Mixed-Valence Copper Cyanide Complexes","Inorganic Chemistry","2005","44","12","4383","4390","10.1021/ic048267c","","","0.71073","MoKα","","0.053","0.0401","","0.1111","0.1055","","","","1.003","1.095","1.095","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"4331482","7.3613","0.0003","19.6365","0.0009","16.9027","0.0007","90","","93.313","0.001","90","","2439.2","0.18","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 I2 N2 O2 Os -","- C26 H16 I2 N2 O2 Os -","- C104 H64 I8 N8 O8 Os4 -","4","1","","Chen, Yao-Lun; Lee, Shih-Wen; Chi, Yun; Hwang, Kuo-Chu; Kumar, Sujit Baran; Hu, Ya-Hui; Cheng, Yi-Ming; Chou, Pi-Tai; Peng, Shie-Ming; Lee, Gene-Hsiang; Yeh, Shi-Jay; Chen, Chin-Ti","Synthesis, Characterization, and Photophysical Properties of Os(II) Diimine Complexes [Os(N∧N)(CO)2I2] (N∧N = Bipyridine, Phenanthroline, and Pyridyl Benzoxazole)","Inorganic Chemistry","2005","44","12","4287","4294","10.1021/ic050036y","","","0.71073","MoKα","","0.0633","0.0522","","","0.1006","0.109","","","","","","1.181","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331483","16.0289","0.0017","16.029","","9.4148","0.001","90","","90","","120","","2094.8","0.3","298","2","298","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C2 H3.33 Cu N4 O0.17 -","- C2 H3 Cu N4 O0.166667 -","- C36 H54 Cu18 N72 O3 -","18","0.5","","Wu, Tao; Yi, Bi-Hua; Li, Dan","Two Novel Nanoporous Supramolecular Architectures Based on Copper(I) Coordination Polymers with Uniform (8, 3) and (8210) Nets: In Situ Formation of Tetrazolate Ligands","Inorganic Chemistry","2005","44","12","4130","4132","10.1021/ic050063o","","","0.71073","MoKα","","0.0389","0.0363","","","0.1001","0.102","","","","","","1.193","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331484","4.8238","0.0005","4.8238","0.0005","15.472","0.003","90","","90","","120","","311.79","0.08","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Al2 B2 Ca0.69 Na0.64 O7 -","- Al2 B2 Ca0.693 Na0.638 O6.99 -","- Al4 B4 Ca1.386 Na1.276 O13.98 -","2","0.166667","","He, Meng; Okudera, Hiroki; Simon, Arndt","Ca1-xNa2xAl2B2O7: A Structure with Tunable Density of Na+Vacancies","Inorganic Chemistry","2005","44","12","4421","4426","10.1021/ic0500863","","","0.71073","MoKα","","0.0407","0.0345","","","0.0839","0.0867","","","","","","1.095","","","","has coordinates,has disorder","179417","2020-10-21","18:00:00",""
"4331485","4.8138","0.0007","4.8138","0.0007","15.301","0.003","90","","90","","120","","307.06","0.09","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Al2 B2 Ca0.05 Na1.9 O7 -","- Al2 B2 Ca0.051 Na1.906 O6.99 -","- Al4 B4 Ca0.102 Na3.812 O13.98 -","2","0.166667","","He, Meng; Okudera, Hiroki; Simon, Arndt","Ca1-xNa2xAl2B2O7: A Structure with Tunable Density of Na+Vacancies","Inorganic Chemistry","2005","44","12","4421","4426","10.1021/ic0500863","","","0.71073","MoKα","","0.0497","0.0419","","","0.1082","0.1125","","","","","","1.177","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331486","38.302","0.0019","9.077","0.0005","19.4421","0.0001","90","","90","","90","","6759.4","0.5","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","Cs4Pb4Ge5S16","","","- Cs4 Ge5 Pb4 S16 -","- Cs4 Ge5 Pb4 S16 -","- Cs32 Ge40 Pb32 S128 -","8","","","Palchik, Oleg; Marking, Gregory M.; Kanatzidis, Mercouri G.","Exploratory Synthesis in Molten Salts: Role of Flux Basicity in the Stabilization of the Complex Thiogermanates Cs4Pb4Ge5S16, K2PbGe2S6, and K4Sn3Ge3S14","Inorganic Chemistry","2005","44","12","4151","4153","10.1021/ic050087v","","","0.71073","MoKα","","0.0416","0.0249","","","0.0584","0.0636","","","","","","1.041","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331487","9.268","0.002","14.338","0.003","8.919","0.002","90","","90.563","0.004","90","","1185.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","K2PbGe2S6","","","- Ge2 K2 Pb S6 -","- Ge2 K2 Pb S6 -","- Ge8 K8 Pb4 S24 -","4","0.5","","Palchik, Oleg; Marking, Gregory M.; Kanatzidis, Mercouri G.","Exploratory Synthesis in Molten Salts: Role of Flux Basicity in the Stabilization of the Complex Thiogermanates Cs4Pb4Ge5S16, K2PbGe2S6, and K4Sn3Ge3S14","Inorganic Chemistry","2005","44","12","4151","4153","10.1021/ic050087v","","","0.71073","MoKα","","0.021","0.0181","","","0.0397","0.0405","","","","","","1.057","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331488","6.9442","0.0016","15.118","0.004","12.071","0.003","90","","100.508","0.004","90","","1246","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ge3 K4 S14 Sn3 -","- Ge3 K4 S14 Sn3 -","- Ge6 K8 S28 Sn6 -","2","0.5","","Palchik, Oleg; Marking, Gregory M.; Kanatzidis, Mercouri G.","Exploratory Synthesis in Molten Salts: Role of Flux Basicity in the Stabilization of the Complex Thiogermanates Cs4Pb4Ge5S16, K2PbGe2S6, and K4Sn3Ge3S14","Inorganic Chemistry","2005","44","12","4151","4153","10.1021/ic050087v","","","0.71073","MoKα","","0.0413","0.0246","","","0.0548","0.0589","","","","","","1.106","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331489","12.893","0.003","13.701","0.003","16.224","0.003","76.032","0.017","80.039","0.017","73.553","0.017","2650.5","1","156","2","156","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H116 Cu2 F12 N8 P4 Pt -","- C114 H110 Cu2 F12 N8 P4 Pt -","- C114 H110 Cu2 F12 N8 P4 Pt -","1","0.5","","Schmittel, Michael; Kalsani, Venkateshwarlu; Bats, Jan W.","Metal-Driven and Covalent Synthesis of Supramolecular Grids from Racks: A Convergent Approach to Heterometallic and Heteroleptic Nanostructures","Inorganic Chemistry","2005","44","12","4115","4117","10.1021/ic050088n","","","0.71073","MoKα","","0.1143","0.0592","","","0.1195","0.1361","","","","","","0.998","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331490","12.8","0.005","12.8","0.005","42.8","0.03","90","","90","","90","","7012","6","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C54 H55 Co2 N36 Ni3 O3.5 -","- C54 H48 Co2 N36 Ni3 O3.5 -","- C216 H192 Co8 N144 Ni12 O14 -","4","0.5","","Chen, Xiao-Yan; Shi, Wei; Xia, Jun; Cheng, Peng; Zhao, Bin; Song, Hai-Bin; Wang, Hong-Gen; Yan, Shi-Ping; Liao, Dai-Zheng; Jiang, Zong-Hui","Effect of the Semirigid Capping Ligand on the Structure Formation of Cyano-Bridged Bimetallic Assemblies: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","12","4263","4269","10.1021/ic050099g","","","0.71073","MoKα","","0.1194","0.0871","","","0.1523","0.1662","","","","","","1.12","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331491","11.9961","0.0019","11.9961","0.0019","16.062","0.005","90","","90","","120","","2001.8","0.8","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C19 H20 Co Fe N14 O3 -","- C19 H16 Co Fe N14 O3 -","- C57 H48 Co3 Fe3 N42 O9 -","3","0.5","","Chen, Xiao-Yan; Shi, Wei; Xia, Jun; Cheng, Peng; Zhao, Bin; Song, Hai-Bin; Wang, Hong-Gen; Yan, Shi-Ping; Liao, Dai-Zheng; Jiang, Zong-Hui","Effect of the Semirigid Capping Ligand on the Structure Formation of Cyano-Bridged Bimetallic Assemblies: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","12","4263","4269","10.1021/ic050099g","","","0.71073","MoKα","","0.036","0.0298","","","0.0756","0.0797","","","","","","1.093","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331492","14.215","0.007","9.376","0.005","16.615","0.009","90","","90","","90","","2214","2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C18 H16 Co N12 Ni -","- C18 H16 Co N12 Ni -","- C72 H64 Co4 N48 Ni4 -","4","0.25","","Chen, Xiao-Yan; Shi, Wei; Xia, Jun; Cheng, Peng; Zhao, Bin; Song, Hai-Bin; Wang, Hong-Gen; Yan, Shi-Ping; Liao, Dai-Zheng; Jiang, Zong-Hui","Effect of the Semirigid Capping Ligand on the Structure Formation of Cyano-Bridged Bimetallic Assemblies: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","12","4263","4269","10.1021/ic050099g","","","0.71073","MoKα","","0.1026","0.0674","","","0.1879","0.208","","","","","","0.977","","","","has coordinates,has disorder","179417","2020-10-21","18:00:00",""
"4331493","18.5473","0.0017","30.709","0.003","5.4881","0.0004","90","","90","","90","","3125.9","0.5","293","2","213","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,5-Diamino-4-methyl-tetrazolium nitrate","","- C2 H7 N7 O3 -","- C2 H7 N7 O3 -","- C32 H112 N112 O48 -","16","1","","Gálvez-Ruiz, Juan Carlos; Holl, Gerhard; Karaghiosoff, Konstantin; Klapötke, Thomas M.; Löhnwitz, Karolin; Mayer, Peter; Nöth, Heinrich; Polborn, Kurt; Rohbogner, Christoph J.; Suter, Max; Weigand, Jan J.","Derivatives of 1,5-Diamino-1H-tetrazole: A New Family of Energetic Heterocyclic-Based Salts","Inorganic Chemistry","2005","44","12","4237","4253","10.1021/ic050104g","","","0.71073","MoKα","","0.0587","0.0418","","","0.1069","0.1177","","","","","","1.05","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331494","8.9104","0.0009","16.506","0.0019","5.4554","0.0006","90","","90","","90","","802.35","0.15","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,5-Diamino-1H-tetrazolium iodide","","- C2 H7 I N6 -","- C2 H7 I N6 -","- C8 H28 I4 N24 -","4","1","","Gálvez-Ruiz, Juan Carlos; Holl, Gerhard; Karaghiosoff, Konstantin; Klapötke, Thomas M.; Löhnwitz, Karolin; Mayer, Peter; Nöth, Heinrich; Polborn, Kurt; Rohbogner, Christoph J.; Suter, Max; Weigand, Jan J.","Derivatives of 1,5-Diamino-1H-tetrazole: A New Family of Energetic Heterocyclic-Based Salts","Inorganic Chemistry","2005","44","12","4237","4253","10.1021/ic050104g","","x-ray","0.71073","MoKα","","0.0488","0.0329","","","0.072","0.074","","","","","","0.868","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331495","9.063","0.003","5.0125","0.0016","15.659","0.005","90","","100.022","0.005","90","","700.5","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,5-Diamino-1H-tetrazolium perchlorate","","- C H5 Cl N6 O4 -","- C H5 Cl N6 O4 -","- C4 H20 Cl4 N24 O16 -","4","1","","Gálvez-Ruiz, Juan Carlos; Holl, Gerhard; Karaghiosoff, Konstantin; Klapötke, Thomas M.; Löhnwitz, Karolin; Mayer, Peter; Nöth, Heinrich; Polborn, Kurt; Rohbogner, Christoph J.; Suter, Max; Weigand, Jan J.","Derivatives of 1,5-Diamino-1H-tetrazole: A New Family of Energetic Heterocyclic-Based Salts","Inorganic Chemistry","2005","44","12","4237","4253","10.1021/ic050104g","","x-ray","0.71073","MoKα","","0.0466","0.0388","","","0.101","0.1061","","","","","","1.068","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331496","9.6525","0.0003","9.6525","0.0003","22.4773","0.0017","90","","90","","90","","2094.23","0.18","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H18 Be N4 O2 -","- C26 H18 Be N4 O2 -","- C104 H72 Be4 N16 O8 -","4","0.5","","Tong, Yi-Ping; Zheng, Shao-Liang; Chen, Xiao-Ming","Syntheses, Structures, Photoluminescence, and Theoretical Studies of a Class of Beryllium(II) Compounds of Aromatic N,O-Chelate Ligands","Inorganic Chemistry","2005","44","12","4270","4275","10.1021/ic0501059","","","0.71073","MoKα","","0.0524","0.0425","","","0.1072","0.1134","","","","","","1.114","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331497","10.2825","0.0008","16.7547","0.0014","24.935","0.002","90","","90","","90","","4295.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Be N2 O4 -","- C26 H16 Be N2 O4 -","- C208 H128 Be8 N16 O32 -","8","1","","Tong, Yi-Ping; Zheng, Shao-Liang; Chen, Xiao-Ming","Syntheses, Structures, Photoluminescence, and Theoretical Studies of a Class of Beryllium(II) Compounds of Aromatic N,O-Chelate Ligands","Inorganic Chemistry","2005","44","12","4270","4275","10.1021/ic0501059","","","0.71073","MoKα","","0.129","0.0641","","","0.1098","0.1312","","","","","","1.032","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331498","24.525","0.0017","12.0583","0.0008","14.7963","0.001","90","","93.414","0.001","90","","4367.9","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Be N2 O2 S2 -","- C26 H16 Be N2 O2 S2 -","- C208 H128 Be8 N16 O16 S16 -","8","1","","Tong, Yi-Ping; Zheng, Shao-Liang; Chen, Xiao-Ming","Syntheses, Structures, Photoluminescence, and Theoretical Studies of a Class of Beryllium(II) Compounds of Aromatic N,O-Chelate Ligands","Inorganic Chemistry","2005","44","12","4270","4275","10.1021/ic0501059","","","0.71073","MoKα","","0.0578","0.0445","","","0.1182","0.1285","","","","","","1.042","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331499","12.704","0.001","12.275","0.001","10.57","0.001","90","","105.879","0.003","90","","1585.4","0.2","150","2","150","2","","","","","","","synthesis","7","P 1 c 1","P -2yc","7","","","","- C28 H20 Cl2 Cu N6 O4 S4 -","- C28 H20 Cl2 Cu N6 O4 S4 -","- C56 H40 Cl4 Cu2 N12 O8 S8 -","2","1","","González-Alvarez, Marta; Alzuet, Gloria; Borrás, Joaquín; del Castillo Agudo, Lucas; García-Granda, Santiago; Montejo-Bernardo, José Manuel","Comparison of protective effects against reactive oxygen species of mononuclear and dinuclear Cu(II) complexes with N-substituted benzothiazolesulfonamides.","Inorganic chemistry","2005","44","25","9424","9433","10.1021/ic050110c","","","1.54184","CuKα","","0.0774","0.0759","","","0.1944","0.1959","","","","","","1.052","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331500","12.533","0.001","12.203","0.001","10.466","0.001","90","0.01","111.616","0.01","90","0.01","1488.1","0.2","200","2","200","2","","","","","","","synthesis","7","P 1 a 1","P -2ya","7","","","","- C26 H22 Cl2 Cu N6 O4 S4 -","- C26 H22 Cl2 Cu N6 O4 S4 -","- C52 H44 Cl4 Cu2 N12 O8 S8 -","2","1","","González-Alvarez, Marta; Alzuet, Gloria; Borrás, Joaquín; del Castillo Agudo, Lucas; García-Granda, Santiago; Montejo-Bernardo, José Manuel","Comparison of protective effects against reactive oxygen species of mononuclear and dinuclear Cu(II) complexes with N-substituted benzothiazolesulfonamides.","Inorganic chemistry","2005","44","25","9424","9433","10.1021/ic050110c","","","1.54184","CuKα","","0.0486","0.0456","","","0.1222","0.1237","","","","","","1.175","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331501","8.041","0.001","8.176","0.001","14.451","0.001","90.904","0.001","105.877","0.001","92.568","0.001","912.51","0.17","200","2","200","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C30 H34 Cu N8 O10 S4 -","- C30 H34 Cu N8 O10 S4 -","- C30 H34 Cu N8 O10 S4 -","1","0.5","","González-Alvarez, Marta; Alzuet, Gloria; Borrás, Joaquín; del Castillo Agudo, Lucas; García-Granda, Santiago; Montejo-Bernardo, José Manuel","Comparison of protective effects against reactive oxygen species of mononuclear and dinuclear Cu(II) complexes with N-substituted benzothiazolesulfonamides.","Inorganic chemistry","2005","44","25","9424","9433","10.1021/ic050110c","","","1.54184","CuKα","","0.0601","0.0474","","","0.116","0.1252","","","","","","1.085","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331502","21.826","0.004","12.189","0.002","17.687","0.004","90","","117.47","0.03","90","","4174.9","1.8","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H37 Cl3 Cu2 N12 O14 -","- C32 H37 Cl3 Cu2 N12 O14 -","- C128 H148 Cl12 Cu8 N48 O56 -","4","0.5","","Koval, Iryna A.; van der Schilden, Karlijn; Schuitema, Anna Maria; Gamez, Patrick; Belle, Catherine; Pierre, Jean-Louis; Lüken, Matthias; Krebs, Bernt; Roubeau, Olivier; Reedijk, Jan","Proton NMR Spectroscopy and Magnetic Properties of a Solution-Stable Dicopper(II) Complex Bearing a Single μ-Hydroxo Bridge","Inorganic Chemistry","2005","44","12","4372","4382","10.1021/ic0501770","","","0.71073","MoKα","","0.0923","0.0512","","","0.1344","0.1447","","","","","","0.858","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331503","17.5355","0.0006","15.1031","0.0005","21.2702","0.0007","90","","90","","90","","5633.2","0.3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H43 O S Sm -","- C30 H43 O S Sm -","- C240 H344 O8 S8 Sm8 -","8","1","","Evans, William J.; Miller, Kevin A.; Lee, David S.; Ziller, Joseph W.","Synthesis, Structure, and Ligand-Based Reduction Reactivity of Trivalent Organosamarium Benzene Chalcogenolate Complexes (C5Me5)2Sm(EPh)(THF) and [(C5Me5)2Sm(μ-EPh)]2","Inorganic Chemistry","2005","44","12","4326","4332","10.1021/ic0502170","","","0.71073","MoKα","","0.0837","0.04","","","0.0798","0.0977","","","","","","1.029","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331504","17.3589","0.0017","15.2692","0.0015","21.463","0.002","90","","90","","90","","5688.9","1","168","2","168","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H43 O Se Sm -","- C30 H43 O Se Sm -","- C240 H344 O8 Se8 Sm8 -","8","1","","Evans, William J.; Miller, Kevin A.; Lee, David S.; Ziller, Joseph W.","Synthesis, Structure, and Ligand-Based Reduction Reactivity of Trivalent Organosamarium Benzene Chalcogenolate Complexes (C5Me5)2Sm(EPh)(THF) and [(C5Me5)2Sm(μ-EPh)]2","Inorganic Chemistry","2005","44","12","4326","4332","10.1021/ic0502170","","","0.71073","MoKα","","0.0627","0.0369","","","0.0871","0.1032","","","","","","1.126","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331505","18.3046","0.0017","17.2195","0.0016","18.175","0.0017","90","","90","","90","","5728.7","0.9","163","2","163","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H43 O Sm Te -","- C30 H43 O Sm Te -","- C240 H344 O8 Sm8 Te8 -","8","1","","Evans, William J.; Miller, Kevin A.; Lee, David S.; Ziller, Joseph W.","Synthesis, Structure, and Ligand-Based Reduction Reactivity of Trivalent Organosamarium Benzene Chalcogenolate Complexes (C5Me5)2Sm(EPh)(THF) and [(C5Me5)2Sm(μ-EPh)]2","Inorganic Chemistry","2005","44","12","4326","4332","10.1021/ic0502170","","","0.71073","MoKα","","0.032","0.0184","","","0.038","0.0442","","","","","","1.108","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331506","10.3682","0.0012","10.5399","0.0012","14.7518","0.0016","69.395","0.002","76.742","0.002","83.724","0.002","1468","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H86 S2 Sm2 -","- C66 H86 S2 Sm2 -","- C66 H86 S2 Sm2 -","1","0.5","","Evans, William J.; Miller, Kevin A.; Lee, David S.; Ziller, Joseph W.","Synthesis, Structure, and Ligand-Based Reduction Reactivity of Trivalent Organosamarium Benzene Chalcogenolate Complexes (C5Me5)2Sm(EPh)(THF) and [(C5Me5)2Sm(μ-EPh)]2","Inorganic Chemistry","2005","44","12","4326","4332","10.1021/ic0502170","","","0.71073","MoKα","","0.0252","0.0238","","","0.0616","0.0639","","","","","","1.1","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331507","10.326","0.0004","10.6832","0.0004","14.8928","0.0007","111.012","0.001","98.118","0.001","97.333","0.001","1489.77","0.11","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H86 Se2 Sm2 -","- C66 H86 Se2 Sm2 -","- C66 H86 Se2 Sm2 -","1","0.5","","Evans, William J.; Miller, Kevin A.; Lee, David S.; Ziller, Joseph W.","Synthesis, Structure, and Ligand-Based Reduction Reactivity of Trivalent Organosamarium Benzene Chalcogenolate Complexes (C5Me5)2Sm(EPh)(THF) and [(C5Me5)2Sm(μ-EPh)]2","Inorganic Chemistry","2005","44","12","4326","4332","10.1021/ic0502170","","","0.71073","MoKα","","0.0351","0.0314","","","0.0786","0.0812","","","","","","1.041","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331508","23.132","0.002","10.28","0.0011","20.361","0.002","90","","90","","90","","4841.8","0.8","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C52 H70 Sm2 Te2 -","- C52 H70 Sm2 Te2 -","- C208 H280 Sm8 Te8 -","4","1","","Evans, William J.; Miller, Kevin A.; Lee, David S.; Ziller, Joseph W.","Synthesis, Structure, and Ligand-Based Reduction Reactivity of Trivalent Organosamarium Benzene Chalcogenolate Complexes (C5Me5)2Sm(EPh)(THF) and [(C5Me5)2Sm(μ-EPh)]2","Inorganic Chemistry","2005","44","12","4326","4332","10.1021/ic0502170","","","0.71073","MoKα","","0.0216","0.0172","","","0.0398","0.0416","","","","","","1.038","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331509","8.407","0.003","12.569","0.004","13.125","0.006","90","","111.579","0.003","90","","1289.7","0.9","140","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Br2 Cu3 N3 -","- C6 H12 Br2 Cu3 N3 -","- C24 H48 Br8 Cu12 N12 -","4","1","","Liu, Xi; Guo,; Wu, A-Qing; Cai, Li-Zhen; Huang, Jin-Shun","Two Halogeno(cyano)cuprates with Long-Lived and Strong Luminescence","Inorganic Chemistry","2005","44","12","4282","4286","10.1021/ic050315l","","","0.71073","MoKα","","0.0717","0.0557","","","0.1661","0.1813","","","","","","1.044","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331510","12.0576","0.0008","17.8073","0.0011","9.7855","0.0007","90","","95.306","0.004","90","","2092.1","0.2","140","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H24 Cl Cu4 N7 -","- C13 H24 Cl Cu4 N7 -","- C52 H96 Cl4 Cu16 N28 -","4","0.5","","Liu, Xi; Guo,; Wu, A-Qing; Cai, Li-Zhen; Huang, Jin-Shun","Two Halogeno(cyano)cuprates with Long-Lived and Strong Luminescence","Inorganic Chemistry","2005","44","12","4282","4286","10.1021/ic050315l","","","0.71073","MoKα","","0.0372","0.0327","","","0.0975","0.101","","","","","","1.001","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331511","13.2207","0.0013","21.769","0.002","19.867","0.002","90","","94.127","0.003","90","","5702.9","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 Ge6 O12 Rh8 -","- C48 H30 Ge6 O12 Rh8 -","- C192 H120 Ge24 O48 Rh32 -","4","1","","Adams, Richard D.; Smith, Jack L.","Rhodium Cluster Complexes Containing Bridging Phenylgermanium Ligands","Inorganic Chemistry","2005","44","12","4276","4281","10.1021/ic050372e","","","0.71073","MoKα","","0.0599","0.0369","","","0.0684","0.0762","","","","","","0.976","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331512","13.1447","0.0006","21.6775","0.001","23.6975","0.0011","90","","91.596","0.001","90","","6749.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H57 Ge5 O5 Rh3 -","- C68 H57 Ge5 O5 Rh3 -","- C272 H228 Ge20 O20 Rh12 -","4","1","","Adams, Richard D.; Smith, Jack L.","Rhodium Cluster Complexes Containing Bridging Phenylgermanium Ligands","Inorganic Chemistry","2005","44","12","4276","4281","10.1021/ic050372e","","","0.71073","MoKα","","0.1787","0.1162","","","0.233","0.2632","","","","","","1.125","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331513","14.1643","0.0015","14.4768","0.0015","24.717","0.003","103.59","0.002","95.901","0.002","104.608","0.002","4695.9","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H90 Ge6 O10 P4 Rh8 -","- C84 H90 Ge6 O10 P4 Rh8 -","- C168 H180 Ge12 O20 P8 Rh16 -","2","1","","Adams, Richard D.; Smith, Jack L.","Rhodium Cluster Complexes Containing Bridging Phenylgermanium Ligands","Inorganic Chemistry","2005","44","12","4276","4281","10.1021/ic050372e","","","0.71073","MoKα","","0.1141","0.0841","","","0.1993","0.2156","","","","","","0.987","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331514","11.5977","0.001","12.9543","0.0011","17.4276","0.0015","98.147","0.002","94.135","0.002","113.94","0.002","2344.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H35 Ge4 O6 Rh3 -","- C48 H35 Ge4 O6 Rh3 -","- C96 H70 Ge8 O12 Rh6 -","2","1","","Adams, Richard D.; Smith, Jack L.","Rhodium Cluster Complexes Containing Bridging Phenylgermanium Ligands","Inorganic Chemistry","2005","44","12","4276","4281","10.1021/ic050372e","","","0.71073","MoKα","","0.0707","0.0545","","","0.1322","0.1446","","","","","","1.032","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331516","10.769","0.002","16.164","0.003","7.6414","0.0012","90","","90","","90","","1330.1","0.4","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- B La Ni3 -","- B La Ni3 -","- B16 La16 Ni48 -","16","1","","Filinchuk, Yaroslav E.; Yvon, Klaus","Boron-Induced Hydrogen Localization in the Novel Metal Hydride LaNi3BHx(x= 2.5−3.0)","Inorganic Chemistry","2005","44","12","4398","4406","10.1021/ic050416j","","","0.71069","MoKα","","0.0868","0.0684","","","0.16","0.1673","","","","","","1.148","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331517","15.5323","0.001","9.6926","0.0006","16.0408","0.0011","90","","97.406","0.001","90","","2394.8","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cl3 Cu F6 N3 O2 -","- C19 H11 Cu F6 N3 O2 -","- C76 H44 Cu4 F24 N12 O8 -","4","1","","Halper, Sara R.; Cohen, Seth M.","Self-Assembly of Heteroleptic [Cu(dipyrrinato)(hfacac)] Complexes Directed by Fluorine−Fluorine Interactions","Inorganic Chemistry","2005","44","12","4139","4141","10.1021/ic0504442","","","0.71073","MoKα","","0.068","0.0553","","","0.1714","0.179","","","","","","1.079","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331518","8.4016","0.0005","28.5805","0.0018","16.3187","0.001","90","","95.745","0.001","90","","3898.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cu N3 O2 -","- C23 H19 Cu N3 O2 -","- C184 H152 Cu8 N24 O16 -","8","2","","Halper, Sara R.; Cohen, Seth M.","Self-Assembly of Heteroleptic [Cu(dipyrrinato)(hfacac)] Complexes Directed by Fluorine−Fluorine Interactions","Inorganic Chemistry","2005","44","12","4139","4141","10.1021/ic0504442","","","0.71073","MoKα","","0.0986","0.0667","","","0.1183","0.1288","","","","","","1.094","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331519","15.7479","0.0014","9.6616","0.0008","32.162","0.003","90","","94.283","0.001","90","","4879.8","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H13.5 Cl1.5 Cu F6 N3 O2 -","- C23.5 H13.5 Cl1.5 Cu F6 N3 O2 -","- C188 H108 Cl12 Cu8 F48 N24 O16 -","8","2","","Halper, Sara R.; Cohen, Seth M.","Self-Assembly of Heteroleptic [Cu(dipyrrinato)(hfacac)] Complexes Directed by Fluorine−Fluorine Interactions","Inorganic Chemistry","2005","44","12","4139","4141","10.1021/ic0504442","","","0.71073","MoKα","","0.0756","0.0659","","","0.1815","0.1898","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331520","22.6062","0.0013","21.8773","0.0012","31.0283","0.0017","90","","93.968","0.001","90","","15308.7","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C150 H106 Cu6 F36 N18 O12 -","- C150 H106 Cu6 F36 N18 O12 -","- C600 H424 Cu24 F144 N72 O48 -","4","0.5","","Halper, Sara R.; Cohen, Seth M.","Self-Assembly of Heteroleptic [Cu(dipyrrinato)(hfacac)] Complexes Directed by Fluorine−Fluorine Interactions","Inorganic Chemistry","2005","44","12","4139","4141","10.1021/ic0504442","","","0.71073","MoKα","","0.0922","0.0647","","","0.1514","0.1636","","","","","","1.083","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331521","15.063","0.002","15.694","0.002","28.468","0.004","90","","102.352","0.002","90","","6574","1.5","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H30 F30 N6 Ni -","- C73 H30 F30 N6 Ni -","- C292 H120 F120 N24 Ni4 -","4","1","","Mori, Shigeki; Shimizu, Soji; Taniguchi, Ryuichiro; Osuka, Atsuhiro","Group 10 Metal Complexes ofmeso-Aryl-Substituted [26]Hexaphyrins with a Metal−Carbon Bond","Inorganic Chemistry","2005","44","12","4127","4129","10.1021/ic050447e","","","0.7107","MoKα","","","0.056","","","","0.07","","","","","","1.443","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331522","7.4793","0.0008","17.2353","0.0018","25.25","0.003","77.918","0.002","86.328","0.002","86.77","0.002","3173.2","0.6","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H14 Cl6 F30 N6 Pd -","- C68 H14 Cl6 F30 N6 Pd -","- C136 H28 Cl12 F60 N12 Pd2 -","2","1","","Mori, Shigeki; Shimizu, Soji; Taniguchi, Ryuichiro; Osuka, Atsuhiro","Group 10 Metal Complexes ofmeso-Aryl-Substituted [26]Hexaphyrins with a Metal−Carbon Bond","Inorganic Chemistry","2005","44","12","4127","4129","10.1021/ic050447e","","","0.71073","MoKα","","0.1134","0.0944","","","0.2434","0.2591","","","","","","1.047","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331523","13.838","0.007","14.394","0.008","18.255","0.01","99.1","0.05","90.36","0.04","104.4","0.05","3474","3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H12 Cl6 F29 N6 O0 Pd2 -","- C76 H12 Cl6 F29 N6 Pd2 -","- C152 H24 Cl12 F58 N12 Pd4 -","2","1","","Mori, Shigeki; Shimizu, Soji; Taniguchi, Ryuichiro; Osuka, Atsuhiro","Group 10 Metal Complexes ofmeso-Aryl-Substituted [26]Hexaphyrins with a Metal−Carbon Bond","Inorganic Chemistry","2005","44","12","4127","4129","10.1021/ic050447e","","","0.71075","MoKα","","0.1113","0.0988","","","0.2706","0.2846","","","","","","1.028","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331524","28.8679","0.001","28.8679","0.001","42.999","0.003","90","","90","","90","","35833","3","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","none","","","- C29 H29 Mo2 N O8 -","- C29 H27.3333 Mo2 N O8 -","- C696 H656 Mo48 N24 O192 -","24","1.5","","Ke, Yanxiong; Collins, David J.; Zhou, Hong-Cai","Synthesis and Structure of Cuboctahedral and Anticuboctahedral Cages Containing 12 Quadruply Bonded Dimolybdenum Units","Inorganic Chemistry","2005","44","12","4154","4156","10.1021/ic050460z","","","0.71073","MoKα","","0.0876","0.0659","","","0.1782","0.1923","","","","","","1.073","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331525","46.622","0.003","46.622","0.003","43.695","0.005","90","","90","","90","","94976","14","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","none","","","- C192 H96 Mo24 O96 -","- C192 H96 Mo24 O96 -","- C1536 H768 Mo192 O768 -","8","0.5","","Ke, Yanxiong; Collins, David J.; Zhou, Hong-Cai","Synthesis and Structure of Cuboctahedral and Anticuboctahedral Cages Containing 12 Quadruply Bonded Dimolybdenum Units","Inorganic Chemistry","2005","44","12","4154","4156","10.1021/ic050460z","","","0.71073","MoKα","","0.0829","0.0601","","","0.1323","0.1409","","","","","","0.949","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331538","19.493","0.005","38.151","0.004","25.291","0.007","90","","110.948","0.004","90","","17565","7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120 H128 B8 F32 N32 O8 Pd8 -","- C120 H128 B8 F32 N32 O8 Pd8 -","- C480 H512 B32 F128 N128 O32 Pd32 -","4","0.5","","Yu, Shu-Yan; Huang, Hai-Ping; Li, Sheng-Hui; Jiao, Qing; Li, Yi-Zhi; Wu, Biao; Sei, Yoshihisa; Yamaguchi, Kentaro; Pan, Yuan-Jiang; Ma, Hong-Wei","Solution self-assembly, spontaneous deprotonation, and crystal structures of bipyrazolate-bridged metallomacrocycles with dimetal centers.","Inorganic chemistry","2005","44","25","9471","9488","10.1021/ic0509332","","","0.71073","MoKα","","0.072","0.0504","","","0.1134","0.1186","","","","","","1.052","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331539","18.398","0.016","20.61","0.02","31.038","0.016","90","","117.59","0.03","90","","10431","15","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C136 H138 F48 N32 O13 P8 Pd8 -","- C136 H138 F48 N32 O13 P8 Pd8 -","- C272 H276 F96 N64 O26 P16 Pd16 -","2","0.5","","Yu, Shu-Yan; Huang, Hai-Ping; Li, Sheng-Hui; Jiao, Qing; Li, Yi-Zhi; Wu, Biao; Sei, Yoshihisa; Yamaguchi, Kentaro; Pan, Yuan-Jiang; Ma, Hong-Wei","Solution self-assembly, spontaneous deprotonation, and crystal structures of bipyrazolate-bridged metallomacrocycles with dimetal centers.","Inorganic chemistry","2005","44","25","9471","9488","10.1021/ic0509332","","","0.71073","MoKα","","0.0794","0.0528","","","0.1069","0.1121","","","","","","0.98","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331540","12.454","0.002","22.437","0.004","27.684","0.005","77.492","0.004","78.918","0.004","82.733","0.004","7382","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C156 H158 F48 N38 O6 P8 Pd8 -","- C156 H158 F48 N38 O6 P8 Pd8 -","- C156 H158 F48 N38 O6 P8 Pd8 -","1","0.5","","Yu, Shu-Yan; Huang, Hai-Ping; Li, Sheng-Hui; Jiao, Qing; Li, Yi-Zhi; Wu, Biao; Sei, Yoshihisa; Yamaguchi, Kentaro; Pan, Yuan-Jiang; Ma, Hong-Wei","Solution self-assembly, spontaneous deprotonation, and crystal structures of bipyrazolate-bridged metallomacrocycles with dimetal centers.","Inorganic chemistry","2005","44","25","9471","9488","10.1021/ic0509332","","","0.71073","MoKα","","0.0958","0.0639","","","0.1575","0.166","","","","","","1.046","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331541","20.228","0.004","32.832","0.006","26.962","0.005","90","","90","","90","","17906","6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C108 H128 F36 N24 O16 P6 Pd6 -","- C108 H128 F36 N24 O16 P6 Pd6 -","- C432 H512 F144 N96 O64 P24 Pd24 -","4","0.5","","Yu, Shu-Yan; Huang, Hai-Ping; Li, Sheng-Hui; Jiao, Qing; Li, Yi-Zhi; Wu, Biao; Sei, Yoshihisa; Yamaguchi, Kentaro; Pan, Yuan-Jiang; Ma, Hong-Wei","Solution self-assembly, spontaneous deprotonation, and crystal structures of bipyrazolate-bridged metallomacrocycles with dimetal centers.","Inorganic chemistry","2005","44","25","9471","9488","10.1021/ic0509332","","","0.71073","MoKα","","0.1053","0.0639","","","0.1224","0.1297","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331542","23.444","0.006","38.64","0.009","13.633","0.003","90","","90","","90","","12350","5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C80 H88 F24 N16 O12 P4 Pd4 -","- C80 H88 F24 N16 O12 P4 Pd4 -","- C320 H352 F96 N64 O48 P16 Pd16 -","4","0.5","","Yu, Shu-Yan; Huang, Hai-Ping; Li, Sheng-Hui; Jiao, Qing; Li, Yi-Zhi; Wu, Biao; Sei, Yoshihisa; Yamaguchi, Kentaro; Pan, Yuan-Jiang; Ma, Hong-Wei","Solution self-assembly, spontaneous deprotonation, and crystal structures of bipyrazolate-bridged metallomacrocycles with dimetal centers.","Inorganic chemistry","2005","44","25","9471","9488","10.1021/ic0509332","","","0.71073","MoKα","","0.0958","0.0615","","","0.1076","0.1134","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331543","18.463","0.004","20.759","0.004","22.208","0.004","90","","90","","90","","8512","3","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C72 H80 N20 O20 Pd4 -","- C72 H80 N20 O20 Pd4 -","- C288 H320 N80 O80 Pd16 -","4","0.25","","Yu, Shu-Yan; Huang, Hai-Ping; Li, Sheng-Hui; Jiao, Qing; Li, Yi-Zhi; Wu, Biao; Sei, Yoshihisa; Yamaguchi, Kentaro; Pan, Yuan-Jiang; Ma, Hong-Wei","Solution self-assembly, spontaneous deprotonation, and crystal structures of bipyrazolate-bridged metallomacrocycles with dimetal centers.","Inorganic chemistry","2005","44","25","9471","9488","10.1021/ic0509332","","","0.71073","MoKα","","0.0802","0.0559","","","0.1143","0.1195","","","","","","1.089","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331544","23.287","0.002","13.5995","0.0007","7.1862","0.0006","90","","98.732","0.01","90","","2249.4","0.3","200","3","200","3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H32 Ba3 N2 O19 P4 -","- C4 H8 Ba3 N2 O19 P4 -","- C16 H32 Ba12 N8 O76 P16 -","4","0.5","","Bauer, Sebastian; Müller, Helen; Bein, Thomas; Stock, Norbert","Synthesis and Characterization of the Open-Framework Barium Bisphosphonate [Ba3(O3PCH2NH2CH2PO3)2(H2O)4]·3H2O","Inorganic Chemistry","2005","44","25","9464","9470","10.1021/ic050935m","","","0.71073","MoKα","","0.0364","0.0293","","","0.0696","0.0715","","","","","","1.051","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331577","10.0899","0.0006","11.8107","0.0008","14.1959","0.0009","95.094","0.001","97.433","0.001","102.417","0.001","1626.33","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 N4 O2 Si2 W -","- C30 H46 N4 O2 Si2 W -","- C60 H92 N8 O4 Si4 W2 -","2","1","","Hayton, Trevor W.; Boncella, James M.; Scott, Brian L.; Abboud, Khalil A.; Mills, Ryan C.","Coupling of an Aldehyde or Ketone to Pyridine Mediated by a Tungsten Imido Complex","Inorganic Chemistry","2005","44","25","9506","9517","10.1021/ic0511367","","","0.71073","MoKα","","0.1127","0.0559","","","0.0923","0.1138","","","","","","0.974","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331578","13.1319","0.0008","14.0221","0.0009","15.0036","0.0009","72.41","0.001","84.247","0.001","89.938","0.001","2619","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37 N3 Si2 W -","- C24 H37 N3 Si2 W -","- C96 H148 N12 Si8 W4 -","4","2","","Hayton, Trevor W.; Boncella, James M.; Scott, Brian L.; Abboud, Khalil A.; Mills, Ryan C.","Coupling of an Aldehyde or Ketone to Pyridine Mediated by a Tungsten Imido Complex","Inorganic Chemistry","2005","44","25","9506","9517","10.1021/ic0511367","","","0.71073","MoKα","","0.0434","0.03","","","0.0655","0.0722","","","","","","1.005","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331579","12.5177","0.0005","15.6686","0.0007","15.9709","0.0007","90","","93.285","0.001","90","","3127.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 N3 Si2 W -","- C32 H37 N3 Si2 W -","- C128 H148 N12 Si8 W4 -","4","1","","Hayton, Trevor W.; Boncella, James M.; Scott, Brian L.; Abboud, Khalil A.; Mills, Ryan C.","Coupling of an Aldehyde or Ketone to Pyridine Mediated by a Tungsten Imido Complex","Inorganic Chemistry","2005","44","25","9506","9517","10.1021/ic0511367","","","0.71073","MoKα","","0.0271","0.0208","","","0.0487","0.051","","","","","","1.038","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331580","10.1728","0.0009","10.9145","0.0001","20.648","0.002","103.36","0.001","93.943","0.001","115.795","0.001","1970.4","0.3","141","2","141","2","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H58 N4 O2 Si2 W -","- C35.5 H52 N4 O2 Si2 W -","- C71 H104 N8 O4 Si4 W2 -","2","1","","Hayton, Trevor W.; Boncella, James M.; Scott, Brian L.; Abboud, Khalil A.; Mills, Ryan C.","Coupling of an Aldehyde or Ketone to Pyridine Mediated by a Tungsten Imido Complex","Inorganic Chemistry","2005","44","25","9506","9517","10.1021/ic0511367","","","0.71073","MoKα","","0.0271","0.0253","","","0.0676","0.0711","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331581","9.3024","0.0004","23.5665","0.001","31.9975","0.0014","90","","90","","90","","7014.7","0.5","141","2","141","2","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C31.5 H49 Cl N4 O Si2 W -","- C31.5 H49 Cl N4 O Si2 W -","- C252 H392 Cl8 N32 O8 Si16 W8 -","8","2","","Hayton, Trevor W.; Boncella, James M.; Scott, Brian L.; Abboud, Khalil A.; Mills, Ryan C.","Coupling of an Aldehyde or Ketone to Pyridine Mediated by a Tungsten Imido Complex","Inorganic Chemistry","2005","44","25","9506","9517","10.1021/ic0511367","","","0.71073","MoKα","","0.0391","0.033","","","0.0778","0.0822","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331582","30.2668","0.0015","30.2668","0.0015","13.6276","0.0007","90","","90","","90","","12484","1.1","141","2","141","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C30 H37 N5 O2 Si2 W -","- C30 H37 N5 O2 Si2 W -","- C480 H592 N80 O32 Si32 W16 -","16","1","","Hayton, Trevor W.; Boncella, James M.; Scott, Brian L.; Abboud, Khalil A.; Mills, Ryan C.","Coupling of an Aldehyde or Ketone to Pyridine Mediated by a Tungsten Imido Complex","Inorganic Chemistry","2005","44","25","9506","9517","10.1021/ic0511367","","","0.71073","mokα","","0.0619","0.0391","","","0.0897","0.1001","","","","","","1.06","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331583","20.1063","0.0009","12.3263","0.0005","29.9886","0.0013","90","","103.343","0.001","90","","7231.6","0.5","141","2","141","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 N4 O P Si2 W -","- C34 H49 N4 O P Si2 W -","- C272 H392 N32 O8 P8 Si16 W8 -","8","2","","Hayton, Trevor W.; Boncella, James M.; Scott, Brian L.; Abboud, Khalil A.; Mills, Ryan C.","Coupling of an Aldehyde or Ketone to Pyridine Mediated by a Tungsten Imido Complex","Inorganic Chemistry","2005","44","25","9506","9517","10.1021/ic0511367","","","0.71073","MoKα","","0.0505","0.0275","","","0.0628","0.0706","","","","","","1.046","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331591","23.046","0.004","12.307","0.002","25.936","0.004","90","","90.967","0.004","90","","7355","2","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Et~4~N][Co(AqPepS)~2~]^.^0.5CH~3~CN^.^0.5H~2~O","","","- C41 H42.5 Co N5.5 O2.5 S2 -","- C41 H42.5 Co N5.5 O2.5 S2 -","- C328 H340 Co8 N44 O20 S16 -","8","1","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Modeling the active site of nitrile hydratase: synthetic strategies to ensure simultaneous coordination of carboxamido-N and thiolato-S to Fe(III) centers.","Inorganic chemistry","2005","44","25","9527","9533","10.1021/ic051183z","","","0.71073","MoKα","","0.0634","0.0416","","","0.0971","0.1126","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331617","11.1142","0.0009","20.549","0.003","25.464","0.003","106.3","0.02","99.595","0.013","101.547","0.014","5313.1","1.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C105 H114 Br2 Cl2 F20 N2 P4 Pt4 -","- C105 H108 Br2 Cl2 F20 N2 P4 Pt4 -","- C210 H216 Br4 Cl4 F40 N4 P8 Pt8 -","2","1","","Forniés, Juan; Fortuño, Consuelo; Gil, Reyes; Martín, Antonio","Tetranuclear platinum phosphido complexes with different structures.","Inorganic chemistry","2005","44","25","9534","9541","10.1021/ic051248y","","","0.71073","MoKα","","0.0684","0.0393","","0.0988","0.0751","","","","1.069","1.05","1.05","","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331619","12.334","0.003","22.413","0.002","19.9737","0.0015","90","","97.706","0.011","90","","5471.7","1.5","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C105.4 H114.8 Br2 Cl2.8 F20 N2 P4 Pt4 -","- C105.4 H40 Br2 Cl2.8 F20 N2 P4 Pt4 -","- C210.8 H80 Br4 Cl5.6 F40 N4 P8 Pt8 -","2","0.5","","Forniés, Juan; Fortuño, Consuelo; Gil, Reyes; Martín, Antonio","Tetranuclear platinum phosphido complexes with different structures.","Inorganic chemistry","2005","44","25","9534","9541","10.1021/ic051248y","","","0.71073","MoKα","","0.1539","0.0715","","","0.1624","0.1783","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331621","10.1819","0.0018","15.225","0.003","18.331","0.003","65.837","0.003","74.733","0.003","76.867","0.003","2478.1","0.8","90","1","90","1","","","","","","","","6","P -1","-P 1","2","","","","- C174 H52 Cr2 N2 Pd S4 -","- C174 H52 Cr2 N2 Pd S4 -","- C174 H52 Cr2 N2 Pd S4 -","1","0.5","","Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.","Neutral and Ionic Complexes of C60with Metal Dibenzyldithiocarbamates. Reversible Dimerization of C60•-in Ionic Multicomponent Complex [CrI(C6H6)2•+]·(C60•-)·0.5[Pd(dbdtc)2]","Inorganic Chemistry","2005","44","25","9547","9553","10.1021/ic051261i","","","0.71073","MoKα","","0.119","0.0974","","","0.266","0.2792","","","","","","1.11","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331666","12.7662","0.0014","7.4598","0.0008","14.4044","0.0016","90","","106.993","0.002","90","","1311.9","0.2","293","0.2","293","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cesium iodate","","- Cs2 I4 O11 -","- Cs2 I4 O11 -","- Cs8 I16 O44 -","4","1","","Ok, Kang Min; Halasyamani, P. Shiv","New Metal Iodates: Syntheses, Structures, and Characterizations of Noncentrosymmetric La(IO3)3and NaYI4O12and Centrosymmetric β-Cs2I4O11and Rb2I6O15(OH)2·H2O","Inorganic Chemistry","2005","44","25","9353","9359","10.1021/ic051340u","","","0.71073","MoKα","","0.0317","0.0293","","","0.0728","0.074","","","","","","1.192","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331667","7.0652","0.0017","7.5066","0.0018","18.262","0.004","79.679","0.004","85.185","0.004","70.684","0.004","898.9","0.4","293","0.2","293","0.2","","","","","","","","4","P -1","-P 1","2","","Rubidium iodate monohydrate","","- H4 I6 O18 Rb2 -","- I6 O18 Rb2 -","- I12 O36 Rb4 -","2","1","","Ok, Kang Min; Halasyamani, P. Shiv","New Metal Iodates: Syntheses, Structures, and Characterizations of Noncentrosymmetric La(IO3)3and NaYI4O12and Centrosymmetric β-Cs2I4O11and Rb2I6O15(OH)2·H2O","Inorganic Chemistry","2005","44","25","9353","9359","10.1021/ic051340u","","","0.71073","MoKα","","0.0517","0.0493","","","0.1362","0.1408","","","","","","1.185","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331668","12.526","0.002","7.0939","0.0009","27.823","0.004","90","","101.975","0.004","90","","2418.5","0.6","293","0.2","293","0.2","","","","","","","","3","C 1 c 1","C -2yc","9","","Lanthanum iodate","","- I9 La3 O27 -","- I9 La3 O27 -","- I36 La12 O108 -","4","1","","Ok, Kang Min; Halasyamani, P. Shiv","New Metal Iodates: Syntheses, Structures, and Characterizations of Noncentrosymmetric La(IO3)3and NaYI4O12and Centrosymmetric β-Cs2I4O11and Rb2I6O15(OH)2·H2O","Inorganic Chemistry","2005","44","25","9353","9359","10.1021/ic051340u","","","0.71073","MoKα","","0.0335","0.0333","","","0.0861","0.0867","","","","","","1.137","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331669","31.235","0.003","5.5679","0.0005","12.5451","0.0012","90","","91.12","0.003","90","","2181.3","0.4","293","0.2","293","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","Sodium yttrium iodate","","- I8 Na2 O24 Y2 -","- I8 Na2 O24 Y2 -","- I32 Na8 O96 Y8 -","4","1","","Ok, Kang Min; Halasyamani, P. Shiv","New Metal Iodates: Syntheses, Structures, and Characterizations of Noncentrosymmetric La(IO3)3and NaYI4O12and Centrosymmetric β-Cs2I4O11and Rb2I6O15(OH)2·H2O","Inorganic Chemistry","2005","44","25","9353","9359","10.1021/ic051340u","","","0.71073","MoKα","","0.0536","0.0527","","","0.1424","0.1442","","","","","","1.014","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331671","25.762","0.006","7.557","0.003","25.693","0.007","90","","116.99","0.02","90","","4457","3","193","","193","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","C13 H28 Cl2 Cr N4, F6 P, C2 H3 N","","","- C15 H31 Cl2 Cr F6 N5 P -","- C15 H31 Cl2 Cr F6 N5 P -","- C120 H248 Cl16 Cr8 F48 N40 P8 -","8","1","","Wagenknecht, Paul S.; Hu, Chuanjiang; Ferguson, Denise; Nathan, Lawrence C.; Hancock, Robert D.; Whitehead, Jason R.; Wright-Garcia, Kimberley; Vagnini, Michael T.","Effects of steric constraint on chromium(III) complexes of tetraazamacrocycles, 2. Comparison of the chemistry and photobehavior of the trans-dichloro- and trans-dicyano- complexes of cyclam, 1,4-C2-cyclam, and 1,11-C3-cyclam.","Inorganic chemistry","2005","44","25","9518","9526","10.1021/ic051366l","","","0.71073","MoKα","","","0.0914","","","","0.258","","","","1.025","1.025","","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331723","28.38","0.0013","16.2321","0.0007","21.237","0.0009","90","","119.883","0.002","90","","8482.5","0.7","183.2","","183.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H82 Cl6 Mn4 N12 O44 -","- C68 H62 Cl6 Mn4 N12 O44 -","- C272 H248 Cl24 Mn16 N48 O176 -","4","0.5","","Chen, Hongyu; Collomb, Marie-Noëlle; Duboc, Carole; Blondin, Geneviève; Rivière, Eric; Faller, J. W.; Crabtree, Robert H.; Brudvig, Gary W.","New linear high-valent tetranuclear manganese-oxo cluster relevant to the oxygen-evolving complex of photosystem II with oxo, hydroxo, and aqua coordinated to a single Mn(IV).","Inorganic chemistry","2005","44","25","9567","9573","10.1021/ic051462m","","","0.7107","MoKα","","0.1842","0.072","","0.087","","0.074","","","1.751","","","2.49","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331765","15.315","0.002","15.315","0.002","39.624","0.007","90","","90","","90","","9294","2","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C56 H48 Mo8 O32 S6 -","- C56 H48 Mo8 O32 S6 -","- C224 H192 Mo32 O128 S24 -","4","0.25","","Byrnes, Matthew J.; Chisholm, Malcolm H.; Patmore, Nathan J.","New Metal−Organic Polygons Involving MM Quadruple Bonds: M8(O2CtBu)4(μ-SC4H2-3,4-{CO2}2)6(M = Mo, W)","Inorganic Chemistry","2005","44","25","9347","9352","10.1021/ic051516s","","","0.71073","MoKα","","0.0684","0.0506","","","0.1444","0.1544","","","","","","1.168","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4340377","10.9114","0.0006","11.2816","0.0006","14.0864","0.0008","68.886","0.001","69.057","0.001","66.433","0.001","1435.75","0.14","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H24 As F3 N O3 P S -","- C31 H24 As F3 N O3 P S -","- C62 H48 As2 F6 N2 O6 P2 S2 -","2","1","","Burford, Neil; Ragogna, Paul J.; Sharp, Kendall; McDonald, Robert; Ferguson, Michael J.","Arsinophosphonium cations from arsenium-phosphine and -bisphosphine coordination chemistry.","Inorganic chemistry","2005","44","25","9453","9460","10.1021/ic050989w","","","0.71073","MoKα","","0.033","0.0289","","","0.0759","0.0785","","","","","","1.03","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340378","12.4041","0.0011","14.4224","0.0013","21.608","0.002","90","","90","","90","","3865.6","0.6","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C16 H18 As F3 N O3 P S -","- C16 H18 As F3 N O3 P S -","- C128 H144 As8 F24 N8 O24 P8 S8 -","8","1","","Burford, Neil; Ragogna, Paul J.; Sharp, Kendall; McDonald, Robert; Ferguson, Michael J.","Arsinophosphonium cations from arsenium-phosphine and -bisphosphine coordination chemistry.","Inorganic chemistry","2005","44","25","9453","9460","10.1021/ic050989w","","","0.71073","MoKα","","0.0899","0.0468","","","0.089","0.1017","","","","","","1.049","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340379","8.9063","0.0006","10.4349","0.0007","11.5512","0.0007","87.2939","0.0009","83.2283","0.0009","80.7053","0.0008","1051.61","0.12","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H18 As Cl4 Ga N P -","- C15 H18 As Cl4 Ga N P -","- C30 H36 As2 Cl8 Ga2 N2 P2 -","2","1","","Burford, Neil; Ragogna, Paul J.; Sharp, Kendall; McDonald, Robert; Ferguson, Michael J.","Arsinophosphonium cations from arsenium-phosphine and -bisphosphine coordination chemistry.","Inorganic chemistry","2005","44","25","9453","9460","10.1021/ic050989w","","","0.71073","MoKα","","0.0276","0.0248","","","0.0643","0.0657","","","","","","1.072","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340380","11.9023","0.0006","12.1996","0.0006","19.0401","0.001","80.5845","0.0009","79.7616","0.0009","78.9139","0.0009","2645.8","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H40 As2 Cl8 Ga2 N2 P2 -","- C49 H40 As2 Cl8 Ga2 N2 P2 -","- C98 H80 As4 Cl16 Ga4 N4 P4 -","2","1","","Burford, Neil; Ragogna, Paul J.; Sharp, Kendall; McDonald, Robert; Ferguson, Michael J.","Arsinophosphonium cations from arsenium-phosphine and -bisphosphine coordination chemistry.","Inorganic chemistry","2005","44","25","9453","9460","10.1021/ic050989w","","","0.71073","MoKα","","0.0627","0.0484","","","0.1207","0.1286","","","","","","1.064","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340381","10.8267","0.0008","11.0873","0.0008","16.9738","0.0012","93.6919","0.001","105.845","0.001","107.457","0.001","1845.9","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H31 As Cl4 Ga N P2 -","- C37 H31 As Cl4 Ga N P2 -","- C74 H62 As2 Cl8 Ga2 N2 P4 -","2","1","","Burford, Neil; Ragogna, Paul J.; Sharp, Kendall; McDonald, Robert; Ferguson, Michael J.","Arsinophosphonium cations from arsenium-phosphine and -bisphosphine coordination chemistry.","Inorganic chemistry","2005","44","25","9453","9460","10.1021/ic050989w","","","0.71073","MoKα","","0.0501","0.0418","","","0.1026","0.1082","","","","","","1.034","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340382","12.973","0.002","21.727","0.003","21.088","0.003","90","","97.109","0.002","90","","5898.3","1.5","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H44 As2 Cl10 Ga2 N2 P2 -","- C55 H44 As2 Cl10 Ga2 N2 P2 -","- C220 H176 As8 Cl40 Ga8 N8 P8 -","4","1","","Burford, Neil; Ragogna, Paul J.; Sharp, Kendall; McDonald, Robert; Ferguson, Michael J.","Arsinophosphonium cations from arsenium-phosphine and -bisphosphine coordination chemistry.","Inorganic chemistry","2005","44","25","9453","9460","10.1021/ic050989w","","","0.71073","MoKα","","0.0528","0.035","","","0.0831","0.0918","","","","","","1.026","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340383","10.284","0.0009","11.534","0.001","17.5873","0.0015","75.993","0.001","85.1","0.001","76.677","0.001","1968.7","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H32 As2 Cl8 Ga2 N2 P2 -","- C29 H32 As2 Cl8 Ga2 N2 P2 -","- C58 H64 As4 Cl16 Ga4 N4 P4 -","2","1","","Burford, Neil; Ragogna, Paul J.; Sharp, Kendall; McDonald, Robert; Ferguson, Michael J.","Arsinophosphonium cations from arsenium-phosphine and -bisphosphine coordination chemistry.","Inorganic chemistry","2005","44","25","9453","9460","10.1021/ic050989w","","","0.71073","MoKα","","0.0503","0.0332","","","0.0734","0.08","","","","","","0.993","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340384","10.2093","0.0005","13.1439","0.0006","13.3073","0.0006","108.656","0.002","94.889","0.002","94.952","0.002","1673.48","0.14","91","2","91","2","","","","","","","","6","P -1","-P 1","2","[NEt4][Co(PiPepS)2].CH3CN","","","- C36 H43 Co N6 O2 S2 -","- C36 H43 Co N6 O2 S2 -","- C72 H86 Co2 N12 O4 S4 -","2","1","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Modeling the active site of nitrile hydratase: synthetic strategies to ensure simultaneous coordination of carboxamido-N and thiolato-S to Fe(III) centers.","Inorganic chemistry","2005","44","25","9527","9533","10.1021/ic051183z","","","0.71073","MoKα","","0.0747","0.0436","","","0.0923","0.1048","","","","","","1.012","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340385","21.9615","0.0014","10.4517","0.0007","15.9058","0.0011","90","","108.985","0.002","90","","3452.3","0.4","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Et4N][Fe(AqpepS)2]","","","- C40 H40 Fe N5 O2 S2 -","- C40 H40 Fe N5 O2 S2 -","- C160 H160 Fe4 N20 O8 S8 -","4","0.5","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Modeling the active site of nitrile hydratase: synthetic strategies to ensure simultaneous coordination of carboxamido-N and thiolato-S to Fe(III) centers.","Inorganic chemistry","2005","44","25","9527","9533","10.1021/ic051183z","","","0.71073","MoKα","","0.0367","0.0322","","","0.0858","0.09","","","","","","1.069","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340386","10.034","0.0018","31.27","0.004","17.092","0.003","90","","91.36","0.015","90","","5361.3","1.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H68 B2 Cl2 N10 O Ti2 -","- C43 H68 B2 Cl2 N10 O Ti2 -","- C172 H272 B8 Cl8 N40 O4 Ti8 -","4","0.5","","Bieller, Susanne; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A chloro-bridged dimanganese complex and an oxo-bridged dititanium complex of a ditopic bis(pyrazol-1-yl)borate ligand.","Inorganic chemistry","2005","44","25","9489","9496","10.1021/ic051689h","","","0.71073","MoKα","","0.2047","0.1158","","","0.2523","0.3059","","","","","","1.042","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340387","8.9956","0.0015","17.041","0.002","19.519","0.004","90","","93.376","0.015","90","","2987","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H74 B2 Cl4 N14 Ti2 -","- C40 H74 B2 Cl4 N14 Ti2 -","- C80 H148 B4 Cl8 N28 Ti4 -","2","0.5","","Bieller, Susanne; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A chloro-bridged dimanganese complex and an oxo-bridged dititanium complex of a ditopic bis(pyrazol-1-yl)borate ligand.","Inorganic chemistry","2005","44","25","9489","9496","10.1021/ic051689h","","","0.71073","MoKα","","0.2526","0.1795","","","0.4494","0.483","","","","","","1.458","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340388","12.9081","0.0006","13.5164","0.0008","13.9807","0.0007","90","","106.833","0.004","90","","2334.7","0.2","173","2","173","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C41 H64 B2 Cl2 Mn2 N8 O3 -","- C41 H64 B2 Cl2 Mn2 N8 O3 -","- C82 H128 B4 Cl4 Mn4 N16 O6 -","2","0.5","","Bieller, Susanne; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A chloro-bridged dimanganese complex and an oxo-bridged dititanium complex of a ditopic bis(pyrazol-1-yl)borate ligand.","Inorganic chemistry","2005","44","25","9489","9496","10.1021/ic051689h","","","0.71073","MoKα","","0.0805","0.0595","","","0.1204","0.1285","","","","","","1.116","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340389","19.617","0.002","16.5862","0.0016","27.867","0.003","90","","90","","90","","9067.1","1.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H66 B2 Li2 N8 O4 -","- C42 H66 B2 Li2 N8 O4 -","- C336 H528 B16 Li16 N64 O32 -","8","1","","Bieller, Susanne; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A chloro-bridged dimanganese complex and an oxo-bridged dititanium complex of a ditopic bis(pyrazol-1-yl)borate ligand.","Inorganic chemistry","2005","44","25","9489","9496","10.1021/ic051689h","","","0.71073","MoKα","","0.1971","0.0725","","","0.1358","0.1792","","","","","","0.846","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340390","25.6133","0.0013","11.2328","0.0009","15.2303","0.0008","90","","90","","90","","4381.9","0.5","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C38 H58 B2 Cl2 Mn2 N8 O3 -","- C38 H58 B2 Cl2 Mn2 N8 O3 -","- C152 H232 B8 Cl8 Mn8 N32 O12 -","4","0.5","","Bieller, Susanne; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A chloro-bridged dimanganese complex and an oxo-bridged dititanium complex of a ditopic bis(pyrazol-1-yl)borate ligand.","Inorganic chemistry","2005","44","25","9489","9496","10.1021/ic051689h","","","0.71073","MoKα","","0.1459","0.0972","","","0.1545","0.1706","","","","","","1.16","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340391","10.2376","0.0006","18.1822","0.0011","25.2453","0.0016","90","","100.895","0.001","90","","4614.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H47 F15 N4 Pt -","- C46 H42 F15 N4 Pt -","- C184 H168 F60 N16 Pt4 -","4","1","","Casas, José M; Diosdado, Beatriz E.; Falvello, Larry R.; Forniés, Juan; Martín, Antonio","Synthesis and in solution and solid state structural study of intramolecular Pt...H interactions in pentafluorophenyl platinum(II) complexes containing the ligands triazene, formamidine, and 2-aminopyridine.","Inorganic chemistry","2005","44","25","9444","9452","10.1021/ic050800g","","","0.71073","MoKα","","0.0588","0.0417","","","0.0968","0.114","","","","","","1.008","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340392","10.2221","0.0007","18.3393","0.0013","25.027","0.003","90","","101.522","0.009","90","","4597.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H48 F15 N3 Pt -","- C47 H48 F15 N3 Pt -","- C188 H192 F60 N12 Pt4 -","4","1","","Casas, José M; Diosdado, Beatriz E.; Falvello, Larry R.; Forniés, Juan; Martín, Antonio","Synthesis and in solution and solid state structural study of intramolecular Pt...H interactions in pentafluorophenyl platinum(II) complexes containing the ligands triazene, formamidine, and 2-aminopyridine.","Inorganic chemistry","2005","44","25","9444","9452","10.1021/ic050800g","","","0.71073","MoKα","","0.1044","0.0627","","","0.1494","0.1912","","","","","","0.87","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340393","10.0918","0.0012","11.5285","0.0017","19.238","0.002","72.96","0.012","86.775","0.013","68.819","0.012","1992.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H42 F15 N3 Pt -","- C39 H35 F15 N3 Pt -","- C78 H70 F30 N6 Pt2 -","2","1","","Casas, José M; Diosdado, Beatriz E.; Falvello, Larry R.; Forniés, Juan; Martín, Antonio","Synthesis and in solution and solid state structural study of intramolecular Pt...H interactions in pentafluorophenyl platinum(II) complexes containing the ligands triazene, formamidine, and 2-aminopyridine.","Inorganic chemistry","2005","44","25","9444","9452","10.1021/ic050800g","","","0.71073","MoKα","","0.0289","0.0253","","","0.0693","0.071","","","","","","1.038","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340394","10.8046","0.0012","20.285","0.002","28.824","0.003","90","","95.822","0.018","90","","6284.8","1.2","566","2","566","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H78 Cl F15 N4 O4 Pt -","- C55 H76 Cl F15 N4 O4 Pt -","- C220 H304 Cl4 F60 N16 O16 Pt4 -","4","1","","Casas, José M; Diosdado, Beatriz E.; Falvello, Larry R.; Forniés, Juan; Martín, Antonio","Synthesis and in solution and solid state structural study of intramolecular Pt...H interactions in pentafluorophenyl platinum(II) complexes containing the ligands triazene, formamidine, and 2-aminopyridine.","Inorganic chemistry","2005","44","25","9444","9452","10.1021/ic050800g","","","0.71073","MoKα","","0.2038","0.0721","","","0.1299","0.168","","","","","","1.112","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340395","11.2851","0.0001","15.4495","0.0006","8.683","0.0001","90","","107.546","0.001","90","","1443.44","0.06","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 P2 Sn -","- C13 O4 P2 Sn -","- C52 O16 P8 Sn4 -","4","1","","Beckmann, Jens; Costantino, Ferdinando; Dakternieks, Dainis; Duthie, Andrew; Ienco, Andrea; Midollini, Stefano; Mitchell, Cassandra; Orlandini, Annabella; Sorace, Lorenzo","Inorganic-organic hybrids of the p,p'-diphenylmethylenediphosphinate, pcp2-. Synthesis, characterization, and XRPD structures of [Sn(pcp)] and [Cu(pcp)].","Inorganic chemistry","2005","44","25","9416","9423","10.1021/ic050683p","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08399","","1.56","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340396","10.7126","0.0004","13.0719","0.0004","4.9272","0.0003","92.067","0.005","95.902","0.007","87.847","0.004","685.47","0.05","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cu O4 P2 -","- C13 Cu O4 P2 -","- C26 Cu2 O8 P4 -","2","1","","Beckmann, Jens; Costantino, Ferdinando; Dakternieks, Dainis; Duthie, Andrew; Ienco, Andrea; Midollini, Stefano; Mitchell, Cassandra; Orlandini, Annabella; Sorace, Lorenzo","Inorganic-organic hybrids of the p,p'-diphenylmethylenediphosphinate, pcp2-. Synthesis, characterization, and XRPD structures of [Sn(pcp)] and [Cu(pcp)].","Inorganic chemistry","2005","44","25","9416","9423","10.1021/ic050683p","powder diffraction","","","","","","","","","","","","","5.07","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340397","21.2281","0.0013","21.2281","0.0013","21.2281","0.0013","90","","90","","90","","9566.1","1","293","2","293","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C24 H52 I4 O14 Tl2 -","- C24 H48 I4 O14 Tl2 -","- C192 H384 I32 O112 Tl16 -","8","0.0833333","","Rieger, Franziska; Mudring, Anja-V","Inorganic supramolecular host architectures: [(M@18c6)2][TlI4].2H2O, M=0.5 Tl, (NH4,NH3), (H3O,H2O).","Inorganic chemistry","2005","44","25","9340","9346","10.1021/ic051430z","","","0.71073","MoKα","","0.028","0.0274","","","0.0787","0.079","","","","","","1.25","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340398","21.379","0.0018","21.379","0.0018","21.379","0.0018","90","","90","","90","","9771.5","1.4","293","2","293","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C24 H57 I4 O16 Tl -","- C24 H48 I4 O16 Tl -","- C192 H384 I32 O128 Tl8 -","8","0.0833333","","Rieger, Franziska; Mudring, Anja-V","Inorganic supramolecular host architectures: [(M@18c6)2][TlI4].2H2O, M=0.5 Tl, (NH4,NH3), (H3O,H2O).","Inorganic chemistry","2005","44","25","9340","9346","10.1021/ic051430z","","","0.71073","MoKα","","0.0544","0.0361","","","0.0892","0.0935","","","","","","0.967","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340399","21.2306","0.0016","21.2306","0.0016","21.2306","0.0016","90","","90","","90","","9569.4","1.2","293","2","77","","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C24 H52 I4 N2 O14 Tl -","- C24 H48 I4 N2 O14 Tl -","- C192 H384 I32 N16 O112 Tl8 -","8","0.0833333","","Rieger, Franziska; Mudring, Anja-V","Inorganic supramolecular host architectures: [(M@18c6)2][TlI4].2H2O, M=0.5 Tl, (NH4,NH3), (H3O,H2O).","Inorganic chemistry","2005","44","25","9340","9346","10.1021/ic051430z","","","0.71073","MoKα","","0.0276","0.0244","","","0.0707","0.0715","","","","","","1.139","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340400","33.2625","0.0013","33.2625","0.0013","7.294","0.0006","90","","90","","120","","6988.9","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H13 Ag N2 O4 S -","- C14 H13 Ag N2 O4 S -","- C252 H234 Ag18 N36 O72 S18 -","18","1","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Influence of neutral ligands on the structures of silver(I) sulfonates.","Inorganic chemistry","2005","44","25","9374","9383","10.1021/ic050984z","","","0.71073","MoKα","","0.0642","0.0426","","","0.1112","0.1204","","","","","","1.021","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340401","7.167","0.002","8.205","0.003","11.531","0.004","83.527","0.006","74.274","0.005","67.555","0.005","603.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 Ag N2 O3 S -","- C11 H11 Ag N2 O3 S -","- C22 H22 Ag2 N4 O6 S2 -","2","1","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Influence of neutral ligands on the structures of silver(I) sulfonates.","Inorganic chemistry","2005","44","25","9374","9383","10.1021/ic050984z","","","0.71073","MoKα","","0.0644","0.0475","","","0.1061","0.1144","","","","","","0.957","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340402","14.486","0.005","21.824","0.005","24.041","0.005","90","0.005","90","0.005","90","0.005","7600","4","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C32 H26 Ag4 N8 O14 S4 -","- C32 H26 Ag4 N8 O14 S4 -","- C256 H208 Ag32 N64 O112 S32 -","8","0.25","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Influence of neutral ligands on the structures of silver(I) sulfonates.","Inorganic chemistry","2005","44","25","9374","9383","10.1021/ic050984z","","","0.71069","MoKα","","0.0484","0.0398","","","0.1172","0.13","","","","","","1.043","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340403","11.5004","0.0008","10.8436","0.0007","27.6737","0.0019","90","","90","","90","","3451.1","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H21 Ag N4 O4 S -","- C16 H21 Ag N4 O4 S -","- C128 H168 Ag8 N32 O32 S8 -","8","1","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Influence of neutral ligands on the structures of silver(I) sulfonates.","Inorganic chemistry","2005","44","25","9374","9383","10.1021/ic050984z","","","0.71073","MoKα","","0.0404","0.0315","","","0.0719","0.0759","","","","","","1.014","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340404","7.3225","0.0004","27.8469","0.0014","10.3597","0.0005","90","","100.697","0.001","90","","2075.73","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Ag N2 O3 S -","- C22 H21 Ag N2 O3 S -","- C88 H84 Ag4 N8 O12 S4 -","4","1","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Influence of neutral ligands on the structures of silver(I) sulfonates.","Inorganic chemistry","2005","44","25","9374","9383","10.1021/ic050984z","","","0.71073","MoKα","","0.0781","0.0554","","","0.1185","0.1288","","","","","","1.077","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340405","17.7014","0.0015","11.359","0.0011","5.323","0.0004","90","","90","","90","","1070.3","0.16","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Mo Nd2 O12 Te3 -","- Mo Nd2 O12 Te3 -","- Mo4 Nd8 O48 Te12 -","4","0.5","","Shen, Yue-Ling; Jiang, Hai-Long; Xu, Jian; Mao, Jiang-Gao; Cheah, Kok Wai","Luminescent lanthanide selenites and tellurites decorated by MoO4 tetrahedra or MoO6 octahedra: Nd2MoSe2O10, Gd2MoSe3O12, La2MoTe3O12, and Nd2MoTe3O12.","Inorganic chemistry","2005","44","25","9314","9321","10.1021/ic051376m","","","0.71073","MoKα","","0.038","0.0325","","","0.0648","0.0667","","","","","","1.184","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340406","6.5568","0.0014","7.1169","0.0017","10.879","0.002","85.225","0.006","72.752","0.005","86.546","0.006","482.81","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Gd2 Mo O12 Se3 -","- Gd2 Mo O12 Se3 -","- Gd4 Mo2 O24 Se6 -","2","1","","Shen, Yue-Ling; Jiang, Hai-Long; Xu, Jian; Mao, Jiang-Gao; Cheah, Kok Wai","Luminescent lanthanide selenites and tellurites decorated by MoO4 tetrahedra or MoO6 octahedra: Nd2MoSe2O10, Gd2MoSe3O12, La2MoTe3O12, and Nd2MoTe3O12.","Inorganic chemistry","2005","44","25","9314","9321","10.1021/ic051376m","","","0.71073","MoKα","","0.0347","0.0301","","","0.0698","0.072","","","","","","1.022","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340407","5.3582","0.0007","6.8922","0.0012","12.576","0.003","85.802","0.012","83.97","0.012","70.07","0.01","433.85","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Mo Nd2 O10 Se2 -","- Mo Nd2 O10 Se2 -","- Mo2 Nd4 O20 Se4 -","2","1","","Shen, Yue-Ling; Jiang, Hai-Long; Xu, Jian; Mao, Jiang-Gao; Cheah, Kok Wai","Luminescent lanthanide selenites and tellurites decorated by MoO4 tetrahedra or MoO6 octahedra: Nd2MoSe2O10, Gd2MoSe3O12, La2MoTe3O12, and Nd2MoTe3O12.","Inorganic chemistry","2005","44","25","9314","9321","10.1021/ic051376m","","","0.71073","MoKα","","0.044","0.0405","","","0.1021","0.1038","","","","","","1.039","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340408","7.315","0.006","11.711","0.009","13.602","0.011","90","","90","","90","","1165.2","1.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- La2 Mo O12 Te3 -","- La2 Mo O12 Te3 -","- La8 Mo4 O48 Te12 -","4","0.5","","Shen, Yue-Ling; Jiang, Hai-Long; Xu, Jian; Mao, Jiang-Gao; Cheah, Kok Wai","Luminescent lanthanide selenites and tellurites decorated by MoO4 tetrahedra or MoO6 octahedra: Nd2MoSe2O10, Gd2MoSe3O12, La2MoTe3O12, and Nd2MoTe3O12.","Inorganic chemistry","2005","44","25","9314","9321","10.1021/ic051376m","","","0.71073","MoKα","","0.0528","0.0479","","","0.0622","0.0633","","","","","","1.395","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340409","19.793","0.004","14.664","0.004","7.292","0.004","90","","90","","90","","2116.5","1.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- O23 Rb4 Te8 -","- O23 Rb4 Te8 -","- O92 Rb16 Te32 -","4","1","","Minimol, M. P.; Vidyasagar, K.","Syntheses and structural characterization of new mixed-valent tellurium oxides, a4[te5(6+)te(3)4+]o23 (a=rb and k).","Inorganic chemistry","2005","44","25","9369","9373","10.1021/ic0515599","","","0.71069","MoKα","","0.0701","0.039","","","0.0737","0.0839","","","","","","0.914","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340410","10.5393","0.0011","13.9532","0.0015","6.5171","0.0007","90","","111.576","0.002","90","","891.23","0.16","273","2","273","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- F Na3 O9 Si3 Sn -","- F Na3 O9 Si3 Sn -","- F4 Na12 O36 Si12 Sn4 -","4","0.5","","Liao, Chen-Hui; Chang, Pai-Ching; Kao, Hsien-Ming; Lii, Kwang-Hwa","Synthesis, crystal structure, and solid-state NMR spectroscopy of a salt-inclusion stannosilicate: [Na3F][SnSi3O9].","Inorganic chemistry","2005","44","25","9335","9339","10.1021/ic0514086","","","0.71073","MoKα","","0.0169","0.0161","","","0.0417","0.0422","","","","","","1.18","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340411","12.2631","0.0008","15.911","0.001","17.389","0.003","63.704","0.003","78.688","0.002","81.038","0.002","2973.5","0.6","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H71 Mo3 O27 Rh S8 -","- C38 H43 Mo3 O27 Rh S8 -","- C76 H86 Mo6 O54 Rh2 S16 -","2","1","","Akashi, Haruo; Isobe, Kiyoshi; Shibahara, Takashi","Synthesis and characterization of a twin Cubane-type molybdenum-rhodium-sulfur cluster, [{Mo3RhCp*S4(H2O)7(O)}2]8+. X-ray structure of [{Mo3RhCpS4(H2O7O}2](CH3C6H4SO3)(8).14H2O.","Inorganic Chemistry","2005","44","10","3494","3498","10.1021/ic048733y","","","0.7107","MoKα","","","0.061","","","","0.163","","","","","","0.992","","","","has coordinates","210285","2020-10-21","18:00:00",""
"4340412","7.5019","0.0015","10.996","0.002","11.585","0.003","61.872","0.003","88.68","0.004","77.46","0.004","819.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H40 Cl Na4 O30 P4 Ru2 -","- C4 H40 Cl Na4 O30 P4 Ru2 -","- C4 H40 Cl Na4 O30 P4 Ru2 -","1","0.5","","Yi, Xiao-Yi; Liu, Bin; Jiménez-Aparicio, Reyes; Urbanos, Francisco A.; Gao, Song; Xu, Wei; Chen, Jie-Sheng; Song, You; Zheng, Li-Min","Syntheses, structures, and magnetic properties of mixed-valent diruthenium(II,III) diphosphonates with discrete and one-dimensional structures.","Inorganic chemistry","2005","44","12","4309","4314","10.1021/ic048340z","","","0.71073","MoKα","","0.1374","0.0561","","","0.0728","0.0883","","","","","","0.634","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340413","7.6568","0.0013","10.952","0.002","11.547","0.002","61.811","0.003","88.648","0.004","77.057","0.004","828","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H40 Br Na4 O30 P4 Ru2 -","- C4 H40 Br Na4 O30 P4 Ru2 -","- C4 H40 Br Na4 O30 P4 Ru2 -","1","0.5","","Yi, Xiao-Yi; Liu, Bin; Jiménez-Aparicio, Reyes; Urbanos, Francisco A.; Gao, Song; Xu, Wei; Chen, Jie-Sheng; Song, You; Zheng, Li-Min","Syntheses, structures, and magnetic properties of mixed-valent diruthenium(II,III) diphosphonates with discrete and one-dimensional structures.","Inorganic chemistry","2005","44","12","4309","4314","10.1021/ic048340z","","","0.71073","MoKα","","0.1258","0.0543","","","0.0887","0.1059","","","","","","0.685","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340414","9.4925","0.0016","14.476","0.003","9.7163","0.0016","90","","113.348","0.003","90","","1225.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H24 K3 O22 P4 Ru2 -","- C4 H24 K3 O22 P4 Ru2 -","- C8 H48 K6 O44 P8 Ru4 -","2","0.5","","Yi, Xiao-Yi; Liu, Bin; Jiménez-Aparicio, Reyes; Urbanos, Francisco A.; Gao, Song; Xu, Wei; Chen, Jie-Sheng; Song, You; Zheng, Li-Min","Syntheses, structures, and magnetic properties of mixed-valent diruthenium(II,III) diphosphonates with discrete and one-dimensional structures.","Inorganic chemistry","2005","44","12","4309","4314","10.1021/ic048340z","","","0.71073","MoKα","","0.1053","0.0674","","","0.0842","0.093","","","","","","1.075","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340415","11.4854","0.0018","11.72","0.0018","11.777","0.0018","67.254","0.003","61.284","0.003","64.113","0.003","1219","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","C10 H56 Fe1 N6 Na7 O38 P4 Ru2","","","- C10 H56 Fe N6 Na7 O38 P4 Ru2 -","- C10 H56 Fe N6 Na7 O38 P4 Ru2 -","- C10 H56 Fe N6 Na7 O38 P4 Ru2 -","1","0.5","","Yi, Xiao-Yi; Liu, Bin; Jiménez-Aparicio, Reyes; Urbanos, Francisco A.; Gao, Song; Xu, Wei; Chen, Jie-Sheng; Song, You; Zheng, Li-Min","Syntheses, structures, and magnetic properties of mixed-valent diruthenium(II,III) diphosphonates with discrete and one-dimensional structures.","Inorganic chemistry","2005","44","12","4309","4314","10.1021/ic048340z","","","0.71073","MoKα","","0.0952","0.0628","","","0.1103","0.1207","","","","","","0.974","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340416","9.981","0.003","14.23","0.003","12.264","0.003","90","","112.747","0.009","90","","1606.4","0.7","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br N2 O3 Re S -","- C12 H14 Br N2 O3 Re S -","- C48 H56 Br4 N8 O12 Re4 S4 -","4","1","","Karagiorgou, O.; Patsis, G.; Pelecanou, M.; Raptopoulou, C. P.; Terzis, A.; Siatra-Papastaikoudi, T; Alberto, R.; Pirmettis, I.; Papadopoulos, M.","(S)-(2-(2'-Pyridyl)ethyl)cysteamine and (S)-(2-(2'-pyridyl)ethyl)-d,l-homocysteine as ligands for the ""fac-[M(CO)(3)](+)"" (M = Re, (99m)Tc) core.","Inorganic chemistry","2005","44","12","4118","4120","10.1021/ic050254r","","","0.71073","MoKα","","0.0456","0.0399","","","0.1069","0.1117","","","","","","1.079","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340417","11.066","0.005","8.394","0.003","17.927","0.008","90","","97.56","0.02","90","","1650.7","1.2","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H15 N2 O5 Re S -","- C14 H15 N2 O5 Re S -","- C56 H60 N8 O20 Re4 S4 -","4","1","","Karagiorgou, O.; Patsis, G.; Pelecanou, M.; Raptopoulou, C. P.; Terzis, A.; Siatra-Papastaikoudi, T; Alberto, R.; Pirmettis, I.; Papadopoulos, M.","(S)-(2-(2'-Pyridyl)ethyl)cysteamine and (S)-(2-(2'-pyridyl)ethyl)-d,l-homocysteine as ligands for the ""fac-[M(CO)(3)](+)"" (M = Re, (99m)Tc) core.","Inorganic chemistry","2005","44","12","4118","4120","10.1021/ic050254r","","","0.71073","MoKα","","0.027","0.0247","","","0.0656","0.0671","","","","","","1.096","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340418","13.7747","0.0015","14.319","0.0015","29.377","0.003","90","","90","","90","","5794.3","1.1","290","","290","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H55 F6 O11 P5 Ru S2 -","- C54 H55 F6 O11 P5 Ru S2 -","- C216 H220 F24 O44 P20 Ru4 S8 -","4","1","","Nagaraja, C. M.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Highly electrophilic, 16-electron [Ru(P(OMe)(OH)(2))(dppe)(2)](2+) complex turns H(2)(g) into a strong acid and splits a Si-H bond heterolytically. Synthesis and structure of the novel phosphorous acid complex [Ru(P(OH)(3))(dppe)(2)](2+).","Inorganic chemistry","2005","44","12","4145","4147","10.1021/ic050026x","","","0.71073","MoKα","","0.031","0.0299","","","0.0888","0.0908","","","","","","0.697","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340419","14.701","0.008","23.41","0.012","17.136","0.009","90","","91.14","0.009","90","","5896","5","290","2","290","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H55 F6 O11 P5 Ru S2 -","- C56 H55 F6 O11 P5 Ru S2 -","- C224 H220 F24 O44 P20 Ru4 S8 -","4","1","","Nagaraja, C. M.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Highly electrophilic, 16-electron [Ru(P(OMe)(OH)(2))(dppe)(2)](2+) complex turns H(2)(g) into a strong acid and splits a Si-H bond heterolytically. Synthesis and structure of the novel phosphorous acid complex [Ru(P(OH)(3))(dppe)(2)](2+).","Inorganic chemistry","2005","44","12","4145","4147","10.1021/ic050026x","","","0.71073","MoKα","","0.0515","0.0397","","","0.1013","0.1088","","","","","","1.003","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340420","9.9561","0.0001","10.6447","0.0002","13.3663","0.0003","80.5083","0.0007","68.8471","0.0008","65.4733","0.0012","1201.71","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Dibromo[bis(2-{pyrid-2-yl}ethyl)(ferrocenylmethyl)amine]zinc(II) (compound 1)","","- C25 H27 Br2 Fe N3 Zn -","- C25 H27 Br2 Fe N3 Zn -","- C50 H54 Br4 Fe2 N6 Zn2 -","2","1","","Mokuolu, Q. Folshade; Kilner, Colin A.; Barrett, Simon A.; McGowan, Patrick C.; Halcrow, Malcolm A.","An unusual zinc-promoted decomposition of a bis(2-{pyrid-2-yl}ethyl)amine derivative.","Inorganic chemistry","2005","44","12","4136","4138","10.1021/ic050270o","","","0.71073","MoKα","","0.0626","0.0473","","","0.1069","0.1166","","","","","","1.034","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340421","9.443","0.0003","11.7238","0.0003","15.1715","0.0005","90","","105.274","0.0011","90","","1620.27","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dibromo[bis(2-{pyrid-2-yl}ethyl)amine]zinc(II) (compound 2)","","- C14 H17 Br2 N3 Zn -","- C14 H17 Br2 N3 Zn -","- C56 H68 Br8 N12 Zn4 -","4","1","","Mokuolu, Q. Folshade; Kilner, Colin A.; Barrett, Simon A.; McGowan, Patrick C.; Halcrow, Malcolm A.","An unusual zinc-promoted decomposition of a bis(2-{pyrid-2-yl}ethyl)amine derivative.","Inorganic chemistry","2005","44","12","4136","4138","10.1021/ic050270o","","","0.71073","MoKα","","0.0704","0.043","","","0.1035","0.1166","","","","","","1.019","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340422","5.9958","0.0001","19.2378","0.0003","20.0839","0.0004","90","","90.7279","0.0006","90","","2316.41","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(ferrocenylmethyl)(2-pyrid-2-ylethyl)amine (compound 3)","","- C29 H30 Fe2 N2 -","- C29 H30 Fe2 N2 -","- C116 H120 Fe8 N8 -","4","1","","Mokuolu, Q. Folshade; Kilner, Colin A.; Barrett, Simon A.; McGowan, Patrick C.; Halcrow, Malcolm A.","An unusual zinc-promoted decomposition of a bis(2-{pyrid-2-yl}ethyl)amine derivative.","Inorganic chemistry","2005","44","12","4136","4138","10.1021/ic050270o","","","0.71073","MoKα","","0.0525","0.0422","","","0.1046","0.1107","","","","","","1.053","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340423","14.9282","0.0002","11.7063","0.0001","27.935","0.0003","90","","90","","90","","4881.75","0.09","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dibromo[bis(2-{pyrid-2-yl}ethyl)(ferrocenylmethyl)amine]cobalt(II) (compound 4)","","- C25 H27 Br2 Co Fe N3 -","- C25 H27 Br2 Co Fe N3 -","- C200 H216 Br16 Co8 Fe8 N24 -","8","1","","Mokuolu, Q. Folshade; Kilner, Colin A.; Barrett, Simon A.; McGowan, Patrick C.; Halcrow, Malcolm A.","An unusual zinc-promoted decomposition of a bis(2-{pyrid-2-yl}ethyl)amine derivative.","Inorganic chemistry","2005","44","12","4136","4138","10.1021/ic050270o","","","0.71073","MoKα","","0.1112","0.098","","","0.2308","0.2419","","","","","","1.3","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340424","12.6712","0.0002","14.6662","0.0003","15.7818","0.0004","90","","112.327","0.0009","90","","2712.99","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dibromo[bis(2-{pyrid-2-yl}ethyl)(ferrocenylmethyl)amine]nickel(II) dichloromethane solvate (compound 5.CH~2~Cl~2~)","","- C26 H29 Br2 Cl2 Fe N3 Ni -","- C26 H29 Br2 Cl2 Fe N3 Ni -","- C104 H116 Br8 Cl8 Fe4 N12 Ni4 -","4","1","","Mokuolu, Q. Folshade; Kilner, Colin A.; Barrett, Simon A.; McGowan, Patrick C.; Halcrow, Malcolm A.","An unusual zinc-promoted decomposition of a bis(2-{pyrid-2-yl}ethyl)amine derivative.","Inorganic chemistry","2005","44","12","4136","4138","10.1021/ic050270o","","","0.71073","MoKα","","0.0633","0.0418","","","0.0944","0.1036","","","","","","1.026","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340425","14.7899","0.0002","11.7343","0.0002","27.8198","0.0004","90","","90","","90","","4828.1","0.13","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dibromo[bis(2-{pyrid-2-yl}ethyl)(ferrocenylmethyl)amine]copper(II)","","- C25 H27 Br2 Cu Fe N3 -","- C25 H27 Br2 Cu Fe N3 -","- C200 H216 Br16 Cu8 Fe8 N24 -","8","1","","Mokuolu, Q. Folshade; Kilner, Colin A.; Barrett, Simon A.; McGowan, Patrick C.; Halcrow, Malcolm A.","An unusual zinc-promoted decomposition of a bis(2-{pyrid-2-yl}ethyl)amine derivative.","Inorganic chemistry","2005","44","12","4136","4138","10.1021/ic050270o","","","0.71073","MoKα","","0.0865","0.0496","","","0.1097","0.1251","","","","","","1.041","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340426","11.3787","0.0008","13.5544","0.0009","11.5748","0.0008","90","","90","","90","","1785.2","0.2","293","2","293","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C32 H48 Cu16 N64 -","16","1","","Wu, Tao; Yi, Bi-Hua; Li, Dan","Two novel nanoporous supramolecular architectures based on copper(i) coordination polymers with uniform (8, 3) and (8(2)10) nets: in situ formation of tetrazolate ligands.","Inorganic chemistry","2005","44","12","4130","4132","10.1021/ic050063o","","","0.71073","MoKα","","0.0361","0.034","","","0.0878","0.0895","","","","","","1.114","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340427","5.0996","0.0001","21.2595","0.0006","8.9209","0.0003","90","","90.2394","0.0014","90","","967.15","0.05","150","","150","","","","","","","","?","7","P 1 21/m 1","-P 2yb","11","","TiGaPO-1 ?","","- C5 H10 Ga N O22 P5 Ti3 -","- C5 H10 Ga N O22 P5 Ti3 -","- C10 H20 Ga2 N2 O44 P10 Ti6 -","2","0.5","","Chippindale, Ann M.; Grimshaw, Mark R.; Powell, Anthony V.; Cowley, Andrew R.","Topotactic oxidation of TiGaPO-1, a pyridine-templated titanium gallophosphate with a new octahedral-tetrahedral 3-D framework structure containing Ti(III)/Ti(IV).","Inorganic chemistry","2005","44","12","4121","4123","10.1021/ic050399y","","","0.71073","MoKα","","0.0498","0.0347","","0.0432","0.0368","0.0368","","","","","","1.0598","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340428","5.1028","0.0002","21.1626","0.0007","8.8581","0.0004","90","","89.9965","0.0016","90","","956.57","0.07","110","","110","","","","","","","","?","7","P 1 21 1","P 2yb","4","","TiGaPO-1a ?","","- C5 H9 Ga N O22 P5 Ti3 -","- C5 H9 Ga N O22 P5 Ti3 -","- C10 H18 Ga2 N2 O44 P10 Ti6 -","2","1","","Chippindale, Ann M.; Grimshaw, Mark R.; Powell, Anthony V.; Cowley, Andrew R.","Topotactic oxidation of TiGaPO-1, a pyridine-templated titanium gallophosphate with a new octahedral-tetrahedral 3-D framework structure containing Ti(III)/Ti(IV).","Inorganic chemistry","2005","44","12","4121","4123","10.1021/ic050399y","","","0.71073","MoKα","","0.0642","0.0456","","0.0727","0.051","0.051","","","","","","1.0995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340429","17.898","0.003","5.2292","0.0008","14.479","0.002","90","","112.23","0.011","90","","1254.4","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C H5 N7 O3 -","- C H5 N7 O3 -","- C8 H40 N56 O24 -","8","1","","Gálvez-Ruiz, Juan Carlos; Holl, Gerhard; Karaghiosoff, Konstantin; Klapötke, Thomas M; Löhnwitz, Karolin; Mayer, Peter; Nöth, Heinrich; Polborn, Kurt; Rohbogner, Christoph J.; Suter, Max; Weigand, Jan J.","Derivatives of 1,5-diamino-1H-tetrazole: a new family of energetic heterocyclic-based salts.","Inorganic chemistry","2005","44","12","4237","4253","10.1021/ic050104g","","","0.71073","MoKα","","0.0346","0.0315","","0.0861","0.0829","","","","1.05","1.061","1.061","","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340430","39.8634","0.0003","39.8634","0.0003","28.1013","0.0006","90","","90","","90","","44655.5","1.1","100","2","100","2","","","","","","","","6","I -4","I -4","82","[Fe(TMP)(2-MeHIm)2][Fe(TMP)(2-MeHIm)]","","","- C259.8 H259.85 Cl1.4 Fe4 N29.88 O0.76 -","- C259.803 H232 Cl1.4 Fe4 N29.88 O0.7605 -","- C2078.42 H1856 Cl11.2 Fe32 N239.04 O6.084 -","8","1","","Hu, Chuanjiang; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Ligand orientation control in low-spin six-coordinate (porphinato)iron(II) species.","Inorganic chemistry","2005","44","12","4346","4358","10.1021/ic050320p","","","0.71073","MoKα","","0.0882","0.0632","","","0.1728","0.1903","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340431","13.075","0.0009","18.2933","0.001","18.7624","0.0013","90","","110.26","0.007","90","","4210","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 N4 Ni4 O12 -","- C40 H52 N4 Ni4 O12 -","- C160 H208 N16 Ni16 O48 -","4","1","","Sieber, Andreas; Boskovic, Colette; Bircher, Roland; Waldmann, Oliver; Ochsenbein, Stefan T.; Chaboussant, Grégory; Güdel, Hans U; Kirchner, Nadeschda; van Slageren, Joris; Wernsdorfer, Wolfgang; Neels, Antonia; Stoeckli-Evans, Helen; Janssen, Stefan; Juranyi, Fanni; Mutka, Hannu","Synthesis and spectroscopic characterization of a new family of Ni(4) spin clusters.","Inorganic chemistry","2005","44","12","4315","4325","10.1021/ic050134j","","","0.71073","MoKα","","0.0418","0.0305","","","0.0736","0.0765","","","","","","0.942","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340432","13.1852","0.0013","13.6138","0.0013","14.2325","0.0015","65.582","0.011","75.087","0.011","70.346","0.011","2169.8","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 N4 Ni4 O12 -","- C40 H52 N4 Ni4 O12 -","- C80 H104 N8 Ni8 O24 -","2","1","","Sieber, Andreas; Boskovic, Colette; Bircher, Roland; Waldmann, Oliver; Ochsenbein, Stefan T.; Chaboussant, Grégory; Güdel, Hans U; Kirchner, Nadeschda; van Slageren, Joris; Wernsdorfer, Wolfgang; Neels, Antonia; Stoeckli-Evans, Helen; Janssen, Stefan; Juranyi, Fanni; Mutka, Hannu","Synthesis and spectroscopic characterization of a new family of Ni(4) spin clusters.","Inorganic chemistry","2005","44","12","4315","4325","10.1021/ic050134j","","","0.71073","MoKα","","0.0655","0.0455","","","0.1077","0.116","","","","","","0.97","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340433","14.5644","0.0012","14.5954","0.0011","24.772","0.002","86.9","0.01","86.347","0.01","70.041","0.009","4936.6","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H62 Cl2 N4 Ni4 O12 -","- C45 H62 Cl2 N4 Ni4 O12 -","- C180 H248 Cl8 N16 Ni16 O48 -","4","2","","Sieber, Andreas; Boskovic, Colette; Bircher, Roland; Waldmann, Oliver; Ochsenbein, Stefan T.; Chaboussant, Grégory; Güdel, Hans U; Kirchner, Nadeschda; van Slageren, Joris; Wernsdorfer, Wolfgang; Neels, Antonia; Stoeckli-Evans, Helen; Janssen, Stefan; Juranyi, Fanni; Mutka, Hannu","Synthesis and spectroscopic characterization of a new family of Ni(4) spin clusters.","Inorganic chemistry","2005","44","12","4315","4325","10.1021/ic050134j","","","0.71073","MoKα","","0.0544","0.0415","","","0.1035","0.1079","","","","","","1.029","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340434","21.795","0.005","9.318","0.003","6.012","0.003","90","","90","","90","","1221","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H8 N2 O4 Zn -","- C12 H8 N2 O4 Zn -","- C48 H32 N8 O16 Zn4 -","4","1","","Wang, Yong-Tao; Fan, Hai-Hua; Wang, He-Zhou; Chen, Xiao-Ming","A solvothermally in situ generated mixed-ligand approach for NLO-active metal-organic framework materials.","Inorganic chemistry","2005","44","12","4148","4150","10.1021/ic0504137","","","0.71073","MoKα","","0.0348","0.0321","","","0.078","0.0797","","","","","","1.028","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340435","9.6001","0.001","8.6181","0.0009","11.4781","0.0012","90","","107.693","0.002","90","","904.72","0.16","566","2","566","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Cd N4 O5 -","- C12 H14 Cd N4 O5 -","- C24 H28 Cd2 N8 O10 -","2","1","","Wang, Yong-Tao; Fan, Hai-Hua; Wang, He-Zhou; Chen, Xiao-Ming","A solvothermally in situ generated mixed-ligand approach for NLO-active metal-organic framework materials.","Inorganic chemistry","2005","44","12","4148","4150","10.1021/ic0504137","","","0.71073","MoKα","","0.0362","0.0353","","","0.1012","0.102","","","","","","1.141","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340436","28.4962","0.0005","28.4962","0.0005","42.1861","0.0016","90","","90","","90","","34256.5","1.6","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","none","","","- C360 H386 Cu24 N12 O109 -","- C360 H316 Cu24 N12 O109 -","- C720 H632 Cu48 N24 O218 -","2","0.125","","Ke, Yanxiong; Collins, David J.; Zhou, Hong-Cai","Synthesis and structure of cuboctahedral and anticuboctahedral cages containing 12 quadruply bonded dimolybdenum units.","Inorganic chemistry","2005","44","12","4154","4156","10.1021/ic050460z","","","0.71073","MoKα","","0.0937","0.0701","","","0.2041","0.2169","","","","","","1.071","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4343808","19.9466","","24.6607","","34.0978","","90","","102.175","","90","","16395.4","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","K10 Na12 ((Co3 (Si W9 O33 (O H)) (Si W8 O29 (O H)2))2) (H2 O)49","","- Co6 K10 Na2 O179 Si4 W34 -","- Co6 K10 Na2 O179 Si4 W34 -","- Co24 K40 Na8 O716 Si16 W136 -","4","1","","Bassil, B.S.; Kortz, U.; Keita, B.; Tigan, A.S.; Clemente-Juan, J.M.; de Oliveira, P.; Nadjo, L.","Cobalt containing silicotungstate sandwich dimer [{Co3 (B-beta-Si W9 O33 (O H)) (B-beta-Si W8 O29 (O H)2)}2](22-)","Inorganic Chemistry","2005","44","","9360","9368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343829","10.6246","","10.6246","","10.6246","","90","","90","","90","","1199.33","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Ba7.5 Al13 Si29","","- Al13 Ba7.5 Si29 -","- Al12.88 Ba7.392 Si28.98 -","- Al12.88 Ba7.392 Si28.98 -","1","0.0208333","","Condron, C.L.; Kauzlarich, S.M.; Porter, R.; Guo, T.","Crystal structures, Raman spectroscopy, and magnetic properties of Ba7.5 Al13 Si29 and Eu0.27 Ba7.22 Al13 Si29","Inorganic Chemistry","2005","44","","9185","9191","","","","","","","","","","","","","","","","","","","","","","has coordinates","150607","2020-10-21","18:00:00",""
"4343830","10.6306","","10.6306","","10.6306","","90","","90","","90","","1201.36","","","","","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Eu0.27 Ba7.22 Al13 Si29","","- Al13 Ba7.22 Eu0.27 Si29 -","- Al12.88 Ba7.252 Eu0.18 Si28.98 -","- Al12.88 Ba7.252 Eu0.18 Si28.98 -","1","0.0208333","","Condron, C.L.; Porter, R.; Guo, T.; Kauzlarich, S.M.","Crystal structures, Raman spectroscopy, and magnetic properties of Ba7.5 Al13 Si29 and Eu0.27 Ba7.22 Al13 Si29","Inorganic Chemistry","2005","44","","9185","9191","","","","","","","","","","","","","","","","","","","","","","has coordinates","150608","2020-10-21","18:00:00",""
"4343832","9.1908","","16.0054","","9.6791","","90","","115.289","","90","","1287.37","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H16 N O12 P3 Zn -","- C3 H16 N O12 P3 Zn -","- C12 H64 N4 O48 P12 Zn4 -","4","1","","Demadis, K.D.; Katarachia, S.D.; Koutmos, M.","Crystal growth and characterization of zinc-(amino-tris-(methylenephosphonate)) organic-inorganic hybrid networks and their inhibiting effect on metallic corrosion","Inorganic Chemistry Communications","2005","8","","254","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343840","5.24","","23.319","","6.196","","90","","90","","90","","757.099","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","F C (O) S S C (O) C F3","","- C3 F4 O2 S2 -","- C3 F4 O2 S2 -","- C12 F16 O8 S8 -","4","1","","Erben, Mauricio F.; Della Védova, Carlos O.; Willner, Helge; Trautner, Frank; Oberhammer, Heinz; Boese, Ronald","Fluoroformyl Trifluoroacetyl Disulfide, FC(O)SSC(O)CF3: Synthesis, Structure in Solid and Gaseous States, and Conformational Properties","Inorganic Chemistry","2005","44","20","7070","7077","10.1021/ic0506862","","","","","","","","","","","","","","","","","","","","","has coordinates","210152","2020-10-21","18:00:00",""
"4343842","4.97675","","7.14917","","8.30753","","90","","90","","90","","295.579","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","La Ni3 B1.69","","- B1.69 La Ni3 -","- B1.69 La Ni3 -","- B6.76 La4 Ni12 -","4","0.25","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343843","10.7155","","16.1598","","7.6134","","90","","90","","90","","1318.34","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","La Ni3 B D2.5","","- B D2.5 La Ni3 -","- B D2.51 La Ni3 -","- B16 D40.16 La16 Ni48 -","16","1","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343844","9.733","","5.366","","8.197","","90","","136.95","","90","","292.241","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","La2 Ni5 B4 D1.52","","- B4 D1.52 La2 Ni5 -","- B4 D1.52 La2 Ni5 -","- B8 D3.04 La4 Ni10 -","2","0.25","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343845","5.14676","","5.14676","","6.98013","","90","","90","","120","","160.126","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","La Ni4 B D2.61","","- B D2.61 La Ni4 -","- B D2.61 La Ni4 -","- B2 D5.22 La2 Ni8 -","2","0.0833333","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343846","10.7709","","16.0852","","7.6365","","90","","90","","90","","1323.04","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","La Ni3 B D2.73","","- B D2.73 La Ni3 -","- B D2.73 La Ni3 -","- B16 D43.68 La16 Ni48 -","16","1","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343847","9.725","","5.373","","8.184","","90","","136.73","","90","","293.116","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","La2 Ni5 B4 D2","","- B4 D2 La2 Ni5 -","- B4 D2.04 La2 Ni5 -","- B8 D4.08 La4 Ni10 -","2","0.25","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343848","5.234455","","5.234455","","7.063574","","90","","90","","120","","167.609","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","La Ni4 B D2.4","","- B D2.4 La Ni4 -","- B D2.4 La Ni4 -","- B2 D4.8 La2 Ni8 -","2","0.0833333","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343849","10.74979","","16.1381","","7.63906","","90","","90","","90","","1325.23","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","La Ni3 B H2.5","","- B H2.5 La Ni3 -","- B La Ni3 -","- B16 La16 Ni48 -","16","1","","Filinchuk, Ya.E.; Yvon, K.","Boron-induced hydrogen localization in the novel metal hydride La Ni3 B H(x) (x=2.5-3.0)","Inorganic Chemistry","2005","44","","4398","4406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343855","10.7627","","7.3772","","7.4558","","90","","90","","90","","591.98","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sm3 Os O7","","- O7 Os Sm3 -","- O7 Os Sm3 -","- O28 Os4 Sm12 -","4","0.25","","Gemmill, W.R.; Smith, M.D.; zur Loye, H.C.; Miller, G.J.; Mozharivsky, Yu.A.","Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7","Inorganic Chemistry","2005","44","","7047","7055","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343856","10.7338","","7.3872","","7.4544","","90","","90","","90","","591.08","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Eu3 Os O7","","- Eu3 O7 Os -","- Eu3 O7 Os -","- Eu12 O28 Os4 -","4","0.25","","Gemmill, W.R.; Smith, M.D.; Mozharivsky, Yu.A.; Miller, G.J.; zur Loye, H.C.","Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7","Inorganic Chemistry","2005","44","","7047","7055","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343857","10.673","","7.404","","7.423","","90","","90","","90","","586.587","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Gd3 Os O7","","- Gd3 O7 Os -","- Gd3 O7 Os -","- Gd12 O28 Os4 -","4","0.25","","Gemmill, W.R.; Mozharivsky, Yu.A.; Smith, M.D.; Miller, G.J.; zur Loye, H.C.","Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7","Inorganic Chemistry","2005","44","","7047","7055","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343858","10.7627","","14.7725","","7.4334","","90","","90","","90","","1181.85","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Sm3 Os O7","","- O7 Os Sm3 -","- O7 Os Sm3 -","- O56 Os8 Sm24 -","8","2","","Gemmill, W.R.; Smith, M.D.; Miller, G.J.; Mozharivsky, Yu.A.; zur Loye, H.C.","Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7","Inorganic Chemistry","2005","44","","7047","7055","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343859","10.703","","14.7385","","7.4143","","90","","90","","90","","1169.58","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Eu3 Os O7","","- Eu3 O7 Os -","- Eu3 O7 Os -","- Eu24 O56 Os8 -","8","2","","Gemmill, W.R.; Smith, M.D.; Mozharivsky, Yu.A.; Miller, G.J.; zur Loye, H.C.","Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7","Inorganic Chemistry","2005","44","","7047","7055","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343860","10.6459","","14.745","","7.3879","","90","","90","","90","","1159.71","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Gd3 Os O7","","- Gd3 O7 Os -","- Gd3 O7 Os -","- Gd24 O56 Os8 -","8","2","","Gemmill, W.R.; Smith, M.D.; Mozharivsky, Yu.A.; Miller, G.J.; zur Loye, H.C.","Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7","Inorganic Chemistry","2005","44","","7047","7055","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343864","9.988","","6.9208","","11.2143","","90","","113.007","","90","","713.527","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","K2 Pt Hg (C N)6 (H2 O)2","","- C6 H4 Hg K2 N6 O2 Pt -","- C6 H4 Hg K2 N6 O2 Pt -","- C12 H8 Hg2 K4 N12 O4 Pt2 -","2","0.5","","Joszai, R.; Beszeda, I.; Benyei, C.; Toth, I.; Fischer, A.; Maliarik, M.; Nagy, P.; Kovacs, M.; Shchukarev, A.","Metal-metal bond or isolated metal centers? Interaction of Hg (C N)2 with square planar transition metal cyanides","Inorganic Chemistry","2005","44","","9643","9651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343865","3.77","","9.172","","9.838","","102.94","","100.88","","94.85","","322.713","","","","","","","","","","","","","7","P -1","-P 1","2","","Na2 Pd Hg (C N)6 (H2 O)2","","- C6 H4 Hg N6 Na2 O2 Pd -","- C6 Hg N6 Na2 O2 Pd -","- C6 Hg N6 Na2 O2 Pd -","1","0.5","","Joszai, R.; Beszeda, I.; Benyei, C.; Nagy, P.; Kovacs, M.; Maliarik, M.; Fischer, A.; Shchukarev, A.; Toth, I.","Metal-metal bond or isolated metal centers? Interaction of Hg (C N)2 with square planar transition metal cyanides","Inorganic Chemistry","2005","44","","9643","9651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343866","18.971","","4.0243","","18.24","","90","","94.13","","90","","1388.92","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","K2 Ni Hg (C N)6 (H2 O)2","","- C6 H4 Hg K2 N6 Ni O2 -","- C6 H4 Hg K2 N6 Ni O2 -","- C24 H16 Hg4 K8 N24 Ni4 O8 -","4","0.5","","Joszai, R.; Beszeda, I.; Benyei, C.; Fischer, A.; Kovacs, M.; Toth, I.; Maliarik, M.; Shchukarev, A.; Nagy, P.","Metal-metal bond or isolated metal centers? Interaction of Hg (C N)2 with square planar transition metal cyanides","Inorganic Chemistry","2005","44","","9643","9651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343886","32.377","","7.4541","","6.5649","","90","","95.636","","90","","1576.72","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Na1.40 Nb3 Te4.90 O18","","- Na1.4 Nb3 O18 Te4.9 -","- Na1.402 Nb3 O18 Te4.8943 -","- Na5.608 Nb12 O72 Te19.5772 -","4","0.5","","Ok, K.M.; Halasyamani, P.S.","Mixed-metal tellurites: synthesis, structure, and characterization of Na1.4 Nb3 Te4.9 O18 and Na Nb3 Te4 O16","Inorganic Chemistry","2005","44","","3919","3925","","","","","","","","","","","","","","","","","","","","","","has coordinates","151423","2020-10-21","18:00:00",""
"4343887","6.6126","","7.4738","","14.034","","90","","102.98","","90","","675.856","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na Nb3 Te4 O16","","- Na Nb3 O16 Te4 -","- Na Nb3 O16 Te4 -","- Na2 Nb6 O32 Te8 -","2","0.5","","Ok, K.M.; Halasyamani, P.S.","Mixed-metal tellurites: synthesis, structure, and characterization of Na1.4 Nb3 Te4.9 O18 and Na Nb3 Te4 O16","Inorganic Chemistry","2005","44","","3919","3925","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343934","5.40789","","13.69782","","7.58431","","90","","109.914","","90","","528.224","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na Y Si2 O6","","- Na O6 Si2 Y -","- Na O6 Si2 Y -","- Na4 O24 Si8 Y4 -","4","1","","Többens, Daniel M.; Kahlenberg, Volker; Kaindl, Reinhard","Characterization and ab Initio XRPD Structure Determination of a Novel Silicate with Vierer Single Chains: The Crystal Structure of NaYSi2O6","Inorganic Chemistry","2005","44","25","9554","9560","10.1021/ic051401o","","","","","","","","","","","","","","","","","","","","","has coordinates","210151","2020-10-21","18:00:00",""
"4343949","5.0568","","21.6211","","8.1724","","90","","91.361","","90","","893.266","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(N H4)2 Al4 (P O4)4 (H P O4) (H2 O)","","- Al4 H11 N2 O21 P5 -","- Al4 H N2 O21 P5 -","- Al8 H2 N4 O42 P10 -","2","1","","Zhou, Dan; Chen, Lei; Yu, Jihong; Li, Yi; Yan, Wenfu; Deng, Feng; Xu, Ruren","Synthesis, Crystal Structure, and Solid-State NMR Spectroscopy of a New Open-Framework Aluminophosphate (NH4)2Al4(PO4)4(HPO4)·H2O","Inorganic Chemistry","2005","44","12","4391","4397","10.1021/ic048476x","","","","","","","","","","","","","","","","","","","","","has coordinates","210153","2020-10-21","18:00:00",""
"4344275","21.81","","17.91","","20.36","","90","","90","","90","","7952.96","","","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","(N H4)4 Na9 (Cu4 (H2 O)2 (Ga W9 O34)2) (H2 O)22","","- Cu4 Ga2 H64 N4 Na9 O92 W18 -","- Cu4 Ga2 N4 Na9 O92 W18 -","- Cu16 Ga8 N16 Na36 O368 W72 -","4","0.5","","Drewes, D.; Limanski, E.M.; Krebs, B.","The first sandwich-type heteropolytungstates consisting of trivacant gallium(III) substituted Keggin fragments","Inorganic Chemistry","2005","44","","1542","1546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344276","12.401","","13.778","","14.658","","99.08","","103.71","","102.5","","2317","","","","","","","","","","","","","4","P -1","-P 1","2","","(N H4)14 (Zn4 (H2 O)2 (Ga W9 O34)2) (H2 O)51","","- Ga2 O121 W18 Zn4 -","- Ga2 O121 W18 Zn4 -","- Ga2 O121 W18 Zn4 -","1","0.5","","Drewes, D.; Krebs, B.; Limanski, E.M.","The first sandwich-type heteropolytungstates consisting of trivacant gallium(III) substituted Keggin fragments","Inorganic Chemistry","2005","44","","1542","1546","","","","","","","","","","","","","","","","","","","","","","has coordinates","164282","2020-10-21","18:00:00",""
"4350109","11.13","0.001","13.395","0.002","14.998","0.002","92.233","0.003","90.078","0.003","94.367","0.002","2227.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H98 B2 Cu2 N22 S6 -","- C80 H98 B2 Cu2 N22 S6 -","- C80 H98 B2 Cu2 N22 S6 -","1","0.5","","Cammi, Roberto; Gennari, Marcello; Giannetto, Marco; Lanfranchi, Maurizio; Marchio, Luciano; Mori, Giovanni; Paiola, Cristiano; Pellinghelli, Maria Angela","Synthesis, structure, and electrochemical properties of copper(I) complexes with S/N homoscorpionate and heteroscorpionate ligands.","Inorganic chemistry","2005","44","12","4333","4345","10.1021/ic048221j","","","0.71073","MoKα","","0.1632","0.0507","","","0.0632","0.0749","","","","","","0.821","","","","has coordinates","239744","2020-10-21","18:00:00",""
"4350110","12.542","0.001","13.07","0.001","14.215","0.001","92.892","0.002","115.559","0.001","105.716","0.001","1985.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H48 B2 Cl12 Cu2 N24 S6 -","- C52 H48 B2 Cl12 Cu2 N24 S6 -","- C52 H48 B2 Cl12 Cu2 N24 S6 -","1","0.5","","Cammi, Roberto; Gennari, Marcello; Giannetto, Marco; Lanfranchi, Maurizio; Marchio, Luciano; Mori, Giovanni; Paiola, Cristiano; Pellinghelli, Maria Angela","Synthesis, structure, and electrochemical properties of copper(I) complexes with S/N homoscorpionate and heteroscorpionate ligands.","Inorganic chemistry","2005","44","12","4333","4345","10.1021/ic048221j","","","0.71073","MoKα","","0.0936","0.0525","","","0.1212","0.1305","","","","","","1.015","","","","has coordinates,has disorder","239744","2020-10-21","18:00:00",""
"4350111","31.568","0.009","13.69","0.003","21.026","0.007","90","","94.118","0.007","90","","9063","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H80 B2 Cl10 Cu2 N18 S4 -","- C68 H78 B2 Cl8 Cu2 N18 S4 -","- C272 H312 B8 Cl32 Cu8 N72 S16 -","4","0.5","","Cammi, Roberto; Gennari, Marcello; Giannetto, Marco; Lanfranchi, Maurizio; Marchio, Luciano; Mori, Giovanni; Paiola, Cristiano; Pellinghelli, Maria Angela","Synthesis, structure, and electrochemical properties of copper(I) complexes with S/N homoscorpionate and heteroscorpionate ligands.","Inorganic chemistry","2005","44","12","4333","4345","10.1021/ic048221j","","","0.71073","MoKα","","0.1513","0.0565","","","0.0875","0.0943","","","","","","1.01","","","","has coordinates","239744","2020-10-21","18:00:00",""
"4500068","16.8018","0.0008","16.8018","0.0008","7.1674","0.0004","90","","90","","90","","2023.36","0.18","223","2","223","2","","","","","","","Synthesized by the authors. See text","3","I 41/a :2","-I 4ad","88","tetrakis(4-aminophenyl)methane","tetrakis(4-aminophenyl)methane","","- C25 H24 N4 -","- C25 H24 N4 -","- C100 H96 N16 -","4","0.25","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0475","0.0412","","","0.1191","0.1245","","","","","","1.082","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500069","12.7089","0.0001","12.7089","0.0001","8.2149","0.0001","90","","90","","90","","1326.84","0.02","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","I -4","I -4","82","","","","- C29 H32 N4 O4 -","- C29 H32 N4 O4 -","- C58 H64 N8 O8 -","2","0.25","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0321","0.0312","","","0.0849","0.0857","","","","","","1.075","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500070","10.6545","0.0019","14.404","0.003","29.086","0.005","90","","90","","90","","4463.8","1.4","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26.5 H25.5 N4.5 O1.5 -","- C26.5 H25.5 N4.5 O1.5 -","- C212 H204 N36 O12 -","8","2","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0879","0.07","","","0.2008","0.2314","","","","","","1.232","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500071","32.927","0.0017","9.33","0.007","21.448","0.003","90","","99.103","0.012","90","","6506","5","290","2","290","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24.667 N4 O0.333 -","- C26 H24 N4 O0.333333 -","- C312 H288 N48 O4 -","12","3","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0898","0.0837","","","0.1889","0.1907","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500072","6.0353","0.0002","24.6349","0.0006","28.1607","0.0007","90","","90","","90","","4186.9","0.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 N6 O7 -","- C46 H52 N6 O7 -","- C184 H208 N24 O28 -","4","1","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0725","0.0495","","","0.1229","0.1408","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500073","12.2162","0.001","21.2975","0.0017","30.884","0.002","93.026","0.003","94.69","0.004","96.419","0.003","7942.5","1","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C134.5 H128 N40 O7.5 S5 -","- C134.5 H128 N40 O7.5 S5 -","- C269 H256 N80 O15 S10 -","2","1","","Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 2,2',7,7'-Tetraphenyl-9,9'-spirobi[9H-fluorene]","Cryst. Growth & Design","2005","5","","1227","1235","10.1021/cg049575o","","","1.54178","CuKα","","0.1295","0.0929","","","0.2332","0.24","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500074","13.458","0.002","17.788","0.002","20.721","0.003","81.076","0.008","74.96","0.008","70.755","0.008","4509.6","1.1","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1","P 1","1","","","","- C150 H178 N40 O17 S14 -","- C144 H88 N40 O13 S11 -","- C144 H88 N40 O13 S11 -","1","1","","Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 2,2',7,7'-Tetraphenyl-9,9'-spirobi[9H-fluorene]","Cryst. Growth & Design","2005","5","","1227","1235","10.1021/cg049575o","","","1.54178","CuKα","","0.104","0.0957","","","0.2236","0.2289","","","","","","1.107","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500075","8.7222","0.0002","10.4838","0.0002","16.7599","0.0004","85.288","0.002","88.006","0.002","70.332","0.002","1438.22","0.06","223","2","223","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C31 H24 N4 O11 -","- C31 H24 N4 O11 -","- C62 H48 N8 O22 -","2","1","","Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest","Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes","Cryst. Growth & Design","2005","5","","1237","1245","10.1021/cg049590t","","","1.54178","CuKα","","0.0692","0.0616","","","0.1794","0.1879","","","","","","1.073","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500076","14.006","0.0003","15.852","0.0003","14.318","0.0004","90","","99.78","0.002","90","","3132.73","0.13","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H14 Cl6 N4 -","- C31 H14 Cl6 N4 -","- C124 H56 Cl24 N16 -","4","0.5","","Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest","Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes","Cryst. Growth & Design","2005","5","","1237","1245","10.1021/cg049590t","","","1.5418","CuKα","","0.0719","0.069","","","0.1648","0.1665","","","","","","1.019","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500077","16.116","0.0008","16.2973","0.0008","18.7307","0.0009","64.223","0.003","69.471","0.003","89.408","0.003","4089.3","0.4","223","2","223","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C102 H64 N8 O18 -","- C102 H64 N8 O18 -","- C204 H128 N16 O36 -","2","1","","Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest","Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes","Cryst. Growth & Design","2005","5","","1237","1245","10.1021/cg049590t","","","1.54178","CuKα","","0.0785","0.0687","","","0.1591","0.1605","","","","","","1.005","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500078","13.3274","0.0006","14.2569","0.0007","14.8016","0.0007","93.161","0.003","98.071","0.003","109.723","0.003","2605.3","0.2","223","2","223","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C65 H52 N4 O6 -","- C65 H52 N4 O6 -","- C130 H104 N8 O12 -","2","1","","Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest","Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes","Cryst. Growth & Design","2005","5","","1237","1245","10.1021/cg049590t","","","1.54178","CuKα","","0.0719","0.0567","","","0.1776","0.1884","","","","","","1.102","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500079","12.3873","0.0003","12.3873","0.0003","24.1863","0.0007","90","","90","","90","","3711.27","0.17","223","2","223","2","","","","","","","Synthesized by the authors. See text","4","I 41/a :2","-I 4ad","88","","","","- C49 H28 N4 O8 -","- C49 H28 N4 O8 -","- C196 H112 N16 O32 -","4","0.25","","Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest","Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes","Cryst. Growth & Design","2005","5","","1237","1245","10.1021/cg049590t","","","1.54178","CuKα","","0.044","0.0429","","","0.1096","0.1104","","","","","","1.034","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500080","13.2114","0.0009","13.2114","0.0009","21.539","0.003","90","","90","","90","","3759.4","0.6","223","2","223","2","","","","","","","Synthesized by the authors. See text","3","I 41/a :2","-I 4ad","88","","","","- C53 H28 N4 -","- C53 H28 N4 -","- C212 H112 N16 -","4","0.25","","Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest","Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes","Cryst. Growth & Design","2005","5","","1237","1245","10.1021/cg049590t","","","1.54178","CuKα","","0.0664","0.0629","","","0.1509","0.1517","","","","","","1.063","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4504834","9.557","0.002","9.922","0.003","10.7","0.003","113.32","0.02","97.01","0.02","89.95","0.02","923.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H32 N O3.5 -","- C18 H27 N O2 -","- C36 H54 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.7093","MoKα","","0.1157","0.0864","","","0.2722","0.2997","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504835","8.552","0.0011","8.9702","0.0012","10.2765","0.0014","83.15","0.002","67.768","0.002","70.608","0.002","688.32","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 N O2 -","- C14 H24 N O2 -","- C28 H48 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.71073","MoKα","","0.0573","0.0494","","","0.1323","0.1388","","","","","","1.041","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504836","15.7571","0.0014","20.4569","0.0018","22.128","0.002","90","","90.719","0.002","90","","7132.2","1.1","293","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H112 N4 O8 -","- C76 H112 N4 O8 -","- C304 H448 N16 O32 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.71073","MoKα","","0.0883","0.0538","","","0.1376","0.1557","","","","","","1.028","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504837","10.4672","0.0017","11.4926","0.0019","13.068","0.002","75.368","0.003","75.277","0.003","84.51","0.003","1470.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H52 N2 O4 -","- C32 H52 N2 O4 -","- C64 H104 N4 O8 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.71073","MoKα","","0.0533","0.0507","","","0.1392","0.142","","","","","","1.044","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504838","8.9399","0.0007","19.3683","0.0015","20.2739","0.0015","90","","90","","90","","3510.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H60 N2 O5 -","- C35 H60 N2 O5 -","- C140 H240 N8 O20 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.71073","MoKα","","0.0434","0.0399","","","0.097","0.0991","","","","","","1.042","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504839","9.136","0.003","9.681","0.003","12.462","0.003","105.299","0.004","111.071","0.004","96.687","0.005","964.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N O4 -","- C20 H29 N O4 -","- C40 H58 N2 O8 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.71073","MoKα","","0.0792","0.0731","","","0.2117","0.2182","","","","","","1.125","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504840","6.7129","0.0008","9.6624","0.0011","13.4553","0.0016","106.402","0.002","97.426","0.002","107.732","0.002","775.01","0.16","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","Bis(N-methylethylenediammonium hydrate)dodecachloro- Tetracadmate(II) dihydrate","","- C3 H16 Cd2 Cl6 N2 O2 -","- C3 H5.5 Cd2 Cl6 N2 O2 -","- C6 H11 Cd4 Cl12 N4 O4 -","2","1","","Thorn, Adrienne; Willett, Roger D.; Twamley, Brendan","Retro-Crystal Engineering Analysis of TwoN-Methylethylenediammonium Cadmium Halide Salts Obtained by Dimensional Reduction and Recombination of the Hexagonal CdX2Lattice","Crystal Growth & Design","2005","5","2","673","","10.1021/cg030059s","","","0.71073","MoKα","","0.0499","0.0307","","","0.072","0.0798","","","","","","1.203","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4504841","8.0197","0.0008","10.3911","0.001","13.4772","0.0013","76.223","0.002","81.478","0.002","67.596","0.002","1006.39","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(N-methylethylenediammonium hydrate)octabromide- tricadmate(II) hydrate","","- C3 H13 Br8 Cd3 N2 O1.59 -","- C3 H12 Br8 Cd3 N2 O1.619 -","- C6 H24 Br16 Cd6 N4 O3.238 -","2","1","","Thorn, Adrienne; Willett, Roger D.; Twamley, Brendan","Retro-Crystal Engineering Analysis of TwoN-Methylethylenediammonium Cadmium Halide Salts Obtained by Dimensional Reduction and Recombination of the Hexagonal CdX2Lattice","Crystal Growth & Design","2005","5","2","673","","10.1021/cg030059s","","","0.71073","MoKα","","0.0684","0.037","","","0.0837","0.0961","","","","","","0.941","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4504842","10.034","0.004","11.784","0.004","8.386","0.003","90","","90","","90","","991.6","0.6","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-butyl-3-methylimidazolium bromide","","- C8 H15 Br N2 -","- C8 H15 Br N2 -","- C32 H60 Br4 N8 -","4","1","","Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S.","Cocrystal of an Ionic Liquid with Organic Molecules as a Mimic of Ionic Liquid Solution","Crystal Growth & Design","2005","5","1","337","","10.1021/cg030086i","","","0.71073","MoKα","","0.0446","0.033","","","0.0731","0.0757","","","","","","0.976","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504843","8.738","0.004","9.057","0.003","14.888","0.005","90","","95.454","0.012","90","","1172.9","0.8","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 Br N2 -","- C9 H17 Br N2 -","- C36 H68 Br4 N8 -","4","1","","Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S.","Cocrystal of an Ionic Liquid with Organic Molecules as a Mimic of Ionic Liquid Solution","Crystal Growth & Design","2005","5","1","337","","10.1021/cg030086i","","","0.71073","MoKα","","0.0761","0.0522","","","0.1204","0.1283","","","","","","1.074","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4504844","8.033","0.004","9.962","0.005","14.235","0.007","90","","106.328","0.009","90","","1093.2","0.9","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-di(iso-propyl)imidazolium bromide","","- C9 H17 Br N2 -","- C9 H17 Br N2 -","- C36 H68 Br4 N8 -","4","1","","Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S.","Cocrystal of an Ionic Liquid with Organic Molecules as a Mimic of Ionic Liquid Solution","Crystal Growth & Design","2005","5","1","337","","10.1021/cg030086i","","","0.71073","MoKα","","0.0337","0.0263","","","0.0577","0.0603","","","","","","1.068","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504845","8.956","0.003","15.313","0.005","11.66","0.004","90","","94.62","0.02","90","","1593.9","0.9","293","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","","'cocrystal of 1-methyl-3-n-butyl imidazolium bromide with paraphenilendiamine","","- C14 H23 Br N4 -","- C14 H23 Br N4 -","- C56 H92 Br4 N16 -","4","1","","Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S.","Cocrystal of an Ionic Liquid with Organic Molecules as a Mimic of Ionic Liquid Solution","Crystal Growth & Design","2005","5","1","337","","10.1021/cg030086i","","","0.71073","MoKα","","0.0671","0.0487","","","0.0959","0.1","","","","","","1.028","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504846","34.9491","0.0003","17.4843","0.0002","24.7004","0.0003","90","","98.497","0.001","90","","14927.8","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C150.2 H118.2 Ag4 Cl6.6 F12 O24 P4 -","- C150.2 H118.2 Ag4 Cl6.6 F12 O24 P4 -","- C600.8 H472.8 Ag16 Cl26.4 F48 O96 P16 -","4","0.5","","Eisler, Dana J.; Puddephatt, Richard J.","Self-Assembly of Coordination Polymers from Tetraphosphinitoresorcinarene Complexes of Silver(I)","Crystal Growth & Design","2005","5","1","57","","10.1021/cg034203l","","","0.71073","MoKα","","0.1031","0.0791","","","0.2213","0.2423","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504847","24.2596","0.0001","23.8932","0.0001","26.6121","0.0002","90","","92.363","0.001","90","","15412.3","0.15","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C152 H140 Ag4 Cl4 F12 O31 P4 S4 -","- C152 H140 Ag4 Cl4 F12 O31 P4 S4 -","- C608 H560 Ag16 Cl16 F48 O124 P16 S16 -","4","1","","Eisler, Dana J.; Puddephatt, Richard J.","Self-Assembly of Coordination Polymers from Tetraphosphinitoresorcinarene Complexes of Silver(I)","Crystal Growth & Design","2005","5","1","57","","10.1021/cg034203l","","","0.71073","MoKα","","0.0934","0.069","","","0.1873","0.2091","","","","","","1.017","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4504848","15.099","0.004","35.962","0.01","14.662","0.004","90","","102.29","0.005","90","","7779","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H74 N4 Na O25.5 S8 -","- C72 H65 N4 Na O25.5 S8 -","- C288 H260 N16 Na4 O102 S32 -","4","1","","Liu, Yu; Wang, Hao; Zhang, Heng-Yi; Wang, Li-Hua","Layered Assembly Formed by Benzyl Viologen andp-Sulfonatothiacalix[4]arene and Their Complexation Thermodynamics","Crystal Growth & Design","2005","5","1","231","","10.1021/cg0342157","","","0.71073","MoKα","","0.1602","0.0809","","","0.171","0.2094","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504849","6.7051","0.0001","31.4258","0.0006","10.5128","0.0003","90","","100.936","0.0006","90","","2174.96","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Mn N6 O7 S2 -","- C14 H22 Mn N6 O7 S2 -","- C56 H88 Mn4 N24 O28 S8 -","4","1","","Sun, Hao-Ling; Gao, Song; Ma, Bao-Qing; Su, Gang; Batten, Stuart R.","Structures and Magnetism of a Series Mn(II) Coordination Polymers Containing Pyrazine-Dioxide Derivatives and Different Anions","Crystal Growth & Design","2005","5","1","269","","10.1021/cg034223n","","","0.71073","MoKα","","0.1081","0.0519","","","0.1307","0.1484","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504850","5.6867","0.0011","7.7266","0.0015","7.7669","0.0016","66.61","0.03","85.83","0.03","88.36","0.03","312.4","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Mn N8 O4 -","- C6 H12 Mn N8 O4 -","- C6 H12 Mn N8 O4 -","1","0.5","","Sun, Hao-Ling; Gao, Song; Ma, Bao-Qing; Su, Gang; Batten, Stuart R.","Structures and Magnetism of a Series Mn(II) Coordination Polymers Containing Pyrazine-Dioxide Derivatives and Different Anions","Crystal Growth & Design","2005","5","1","269","","10.1021/cg034223n","","","0.71073","MoKα","","0.0469","0.0388","","","0.0997","0.1033","","","","","","1.367","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504851","6.5035","0.0007","7.287","0.0006","7.5566","0.0008","70.18","0.006","80.994","0.007","86.808","0.008","332.75","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Mn N8 O2 -","- C10 H8 Mn N8 O2 -","- C10 H8 Mn N8 O2 -","1","0.5","","Sun, Hao-Ling; Gao, Song; Ma, Bao-Qing; Su, Gang; Batten, Stuart R.","Structures and Magnetism of a Series Mn(II) Coordination Polymers Containing Pyrazine-Dioxide Derivatives and Different Anions","Crystal Growth & Design","2005","5","1","269","","10.1021/cg034223n","","","0.71073","MoKα","","0.0523","0.0398","","","0.0941","0.0971","","","","","","1.465","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504852","9.3968","0.0008","11.5836","0.0004","13.1449","0.0007","90","","97.382","0.006","90","","1418.95","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Mn N8 O3 -","- C10 H12 Mn N8 O3 -","- C40 H48 Mn4 N32 O12 -","4","0.5","","Sun, Hao-Ling; Gao, Song; Ma, Bao-Qing; Su, Gang; Batten, Stuart R.","Structures and Magnetism of a Series Mn(II) Coordination Polymers Containing Pyrazine-Dioxide Derivatives and Different Anions","Crystal Growth & Design","2005","5","1","269","","10.1021/cg034223n","","","0.71073","MoKα","","0.0648","0.0369","","","0.089","0.0999","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504853","14.1063","0.0009","7.6324","0.0004","15.6342","0.001","90","","114.183","0.002","90","","1535.54","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cu O8 -","- C14 H8 Cu O8 -","- C56 H32 Cu4 O32 -","4","1","","Wang, Ruihu; Zhou, Youfu; Sun, Yanqiong; Yuan, Daqiang; Han, Lei; Lou, Benyong; Wu, Benlai; Hong, Maochun","Syntheses and Crystal Structures of Copper(II) Coordination Polymers Comprising Discrete Helical Chains","Crystal Growth & Design","2005","5","1","251","","10.1021/cg034237t","","","0.71073","MoKα","","0.0829","0.0778","","","0.1886","0.1918","","","","","","1.256","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504854","20.194","0.002","9.5131","0.0009","11.4251","0.0012","90","","117.022","0.002","90","","1955.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu0.5 N O2 -","- C12 H8 Cu0.5 N O2 -","- C96 H64 Cu4 N8 O16 -","8","1","","Wang, Ruihu; Zhou, Youfu; Sun, Yanqiong; Yuan, Daqiang; Han, Lei; Lou, Benyong; Wu, Benlai; Hong, Maochun","Syntheses and Crystal Structures of Copper(II) Coordination Polymers Comprising Discrete Helical Chains","Crystal Growth & Design","2005","5","1","251","","10.1021/cg034237t","","","0.71073","MoKα","","0.0532","0.0398","","","0.0955","0.105","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504855","22.073","0.002","15.3244","0.0016","16.022","0.0016","90","","125.849","0.002","90","","4392.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cu N2 O4 -","- C26 H18 Cu N2 O4 -","- C208 H144 Cu8 N16 O32 -","8","1","","Wang, Ruihu; Zhou, Youfu; Sun, Yanqiong; Yuan, Daqiang; Han, Lei; Lou, Benyong; Wu, Benlai; Hong, Maochun","Syntheses and Crystal Structures of Copper(II) Coordination Polymers Comprising Discrete Helical Chains","Crystal Growth & Design","2005","5","1","251","","10.1021/cg034237t","","","0.71073","MoKα","","0.1516","0.0948","","","0.1538","0.1788","","","","","","1.244","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504856","8.2881","0.0019","8.2881","0.0019","10.566","0.003","90","","90","","120","","628.6","0.3","150","2","150","2","","","","","","","'hydrothermal synthesis at 180 deg C for 3 days'","6","P -3","-P 3","147","en-pillared layered zinc hydroxysulphate","","","- C H16 N O13 S Zn4 -","- C0.99 H9.96 N O12.97 S Zn4 -","- C1.98 H19.92 N2 O25.94 S2 Zn8 -","2","0.333333","","Rujiwatra, Apinpus; Mander, Gavin J.; Kepert, Cameron J.; Rosseinsky, Matthew J.","Synthesis and Characterization of Subcell−Supercell Related Ethylenediamine-Pillared Zinc Hydroxysulfates","Crystal Growth & Design","2005","5","1","183","","10.1021/cg034242x","","","0.6941","Synchrotron","","0.0549","0.0463","","","0.1152","0.1188","","","","","","1.08","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504857","21.926","0.002","21.926","0.002","10.5643","0.0009","90","","90","","120","","4398.4","0.7","150","2","150","2","","","","","","","'hydrothermal synthesis at 180 deg C for 3 days'","6","P -3","-P 3","147","","","","- C7 H106 N7 O88 S7 Zn28 -","- C6.99 H69.96 N6.99 O88 S7 Zn28 -","- C13.98 H139.92 N13.98 O176 S14 Zn56 -","2","0.333333","","Rujiwatra, Apinpus; Mander, Gavin J.; Kepert, Cameron J.; Rosseinsky, Matthew J.","Synthesis and Characterization of Subcell−Supercell Related Ethylenediamine-Pillared Zinc Hydroxysulfates","Crystal Growth & Design","2005","5","1","183","","10.1021/cg034242x","","","0.6923","Synchrotron","","0.0957","0.0481","","","0.1369","0.1555","","","","","","0.882","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504858","26.186","0.005","13.52","0.003","19.559","0.004","90","","106.6","0.03","90","","6636","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H48 Mo8 N12 Ni3 O48 P V8 -","- C12 H48 Mo8 N12 Ni3 O48 P V8 -","- C48 H192 Mo32 N48 Ni12 O192 P4 V32 -","4","0.5","","Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben","3D Supramolecular Array Assembled by Cross-like Arrangement of 1D Sandwich Mixed Molybdenum−Vanadium Polyoxometalate Bridged Coordination Polymer Chains: Hydrothermal Synthesis and Crystal Structure of {[MoVI5MoV3VIV8O40(PO4)][Ni(en)2]}[Ni(en)2]2·4H2O","Crystal Growth & Design","2005","5","4","1639","","10.1021/cg049556e","","","0.71073","MoKα","","0.058","0.0371","","","0.0948","0.0987","","","","","","0.932","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504859","13.7913","0.0013","13.7913","0.0013","11.728","0.002","90","","90","","120","","1931.8","0.4","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C78 H72 Br2 Li2 O6 P6 -","- C78 H72 Br2 Li2 O6 P6 -","- C78 H72 Br2 Li2 O6 P6 -","1","0.166667","","Liu, Xi; Guo,; Liu, Bin; Chen, Wen-Tong; Huang, Jin-Shun","A Novel 2-D Honeycomb-like Lithium Coordination Polymer Containing 42-Membered Rings","Crystal Growth & Design","2005","5","3","841","","10.1021/cg049570r","","","0.71073","MoKα","","0.0907","0.0554","","","0.1254","0.1413","","","","","","1.003","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504860","9.2133","0.0011","11.6848","0.0013","12.1071","0.0015","104.058","0.009","98.623","0.008","94.9","0.007","1239.9","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","3-[(benzimidazol-1-yl)methyl]benzamide","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","2","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.0894","0.051","","","0.1208","0.1409","","","","","","0.988","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504861","9.9852","0.0013","15.912","0.002","8.368","0.0013","90","","93.48","0.009","90","","1327.1","0.3","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(2-methylbenzimidazol-1-yl)methyl]benzamide","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.1462","0.0514","","","0.1119","0.148","","","","","","0.895","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504862","8.8067","0.0007","11.8803","0.0012","14.0856","0.0015","74.8","0.004","72.485","0.005","68.786","0.004","1290.5","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","3-[(2-chlorobenzimidazol-1-yl)methyl]-benzamide","","- C15 H12 Cl N3 O -","- C15 H12 Cl N3 O -","- C60 H48 Cl4 N12 O4 -","4","2","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.0653","0.0438","","","0.1209","0.1305","","","","","","1.007","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504863","6.0212","0.001","12.4652","0.0019","19.166","0.003","90","","90","","90","","1438.5","0.4","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(2-chlorobenzimidazol-1-yl)methyl]benzamide","","- C15 H14 Cl N3 O2 -","- C15 H14 Cl N3 O2 -","- C60 H56 Cl4 N12 O8 -","4","1","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.0602","0.0382","","","0.0755","0.0821","","","","","","0.937","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504864","7.5178","0.0009","9.185","0.0011","15.085","0.0015","105.516","0.006","100.6","0.007","100.339","0.008","957.4","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","3-[(benzimidazol-1-yl)methyl]benzamide, 4-nitrobenzoic acid","","- C22 H18 N4 O5 -","- C22 H18 N4 O5 -","- C44 H36 N8 O10 -","2","1","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.0794","0.0529","","","0.1338","0.1513","","","","","","0.977","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504865","7.5292","0.0005","11.098","0.0008","17.2512","0.0011","81.865","0.004","77.854","0.003","74.581","0.004","1352.89","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-[(2-methylbenzimidazol-1-yl)methyl]PhCOOH,(4-NO2PhCOOH)2","","- C30 H25 N5 O9 -","- C30 H25 N5 O9 -","- C60 H50 N10 O18 -","2","1","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.1211","0.0491","","","0.1016","0.1269","","","","","","0.837","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504866","11.902","0.004","11.061","0.003","3.9951","0.0013","90","","90.849","0.007","90","","525.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H7 Br2 N -","- C12 H7 Br2 N -","- C24 H14 Br4 N2 -","2","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","0.71069","MoKα","","0.0775","0.0705","","","0.1759","0.1812","","","","","","0.998","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504867","22.6571","0.0003","4.0725","0.0001","12.5717","0.0002","90","","90","","90","","1160","0.04","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H9 Br2 N -","- C13 H9 Br2 N -","- C52 H36 Br8 N4 -","4","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","1.54178","CuKα","","0.0284","0.0279","","","0.0719","0.0724","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504868","7.9369","0.0015","5.8669","0.0009","20.412","0.003","90","","91.607","0.006","90","","950.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 Br N -","- C12 H8 Br N -","- C48 H32 Br4 N4 -","4","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","0.71069","MoKα","","0.0695","0.0604","","","0.1541","0.162","","","","","","1.11","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504869","17.661","0.004","8.0855","0.0019","39.543","0.008","90","","90.065","0.008","90","","5647","2","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H37 N3 -","- C35 H37 N3 -","- C280 H296 N24 -","8","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","1.54178","CuKα","","0.1021","0.0898","","","0.2457","0.2556","","","","","","1.043","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4504870","9.0912","0.0004","7.8877","0.0003","72.467","0.003","90","","91.103","0.003","90","","5195.5","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C59 H85 N3 -","- C59 H85 N3 -","- C236 H340 N12 -","4","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","1.54178","CuKα","","0.0622","0.0547","","","0.1387","0.1429","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504871","6.5057","0.001","8.2178","0.0011","55.034","0.009","90","","91.781","0.002","90","","2940.8","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 N3 O2 -","- C35 H37 N3 O2 -","- C140 H148 N12 O8 -","4","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","0.71069","MoKα","","0.0809","0.0723","","","0.1635","0.1717","","","","","","1.185","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504872","12.1597","0.0002","19.8671","0.0004","15.6274","0.0002","90","","93.923","0.001","90","","3766.39","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-fluoren-9-ylidene-2-[9-(3-oxo-3-(4-methylphenyl)-prop-1-ynyl)-9H-fluoren-9-yl]-1-(4-methylphenyl)-propenone DMSO solvate","","- C48 H36 O3 S -","- C48 H36 O3 S -","- C192 H144 O12 S4 -","4","1","","Scott, Janet L.; Tanaka, Koichi","Photochromic Crystals: Toward an Understanding of Color Development in the Solid State","Crystal Growth & Design","2005","5","3","1209","","10.1021/cg049591l","","","0.71073","MoKα","","0.1686","0.0664","","","0.1362","0.1756","","","","","","0.98","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4504873","8.9035","0.0002","13.1202","0.0003","18.6112","0.0006","102.77","0.001","97.995","0.001","102.662","0.001","2028.16","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3-fluoren-9-ylidene-2-[9-(3-oxo-3-(3-methylphenyl)-prop-1-ynyl)-9H-fluoren-9-yl]-1-(4-methylphenyl)-propenone DMSO solvate","","- C50 H42 O4 S2 -","- C50 H42 O4 S2 -","- C100 H84 O8 S4 -","2","1","","Scott, Janet L.; Tanaka, Koichi","Photochromic Crystals: Toward an Understanding of Color Development in the Solid State","Crystal Growth & Design","2005","5","3","1209","","10.1021/cg049591l","","","0.71073","MoKα","","0.1243","0.0549","","","0.0993","0.1212","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504874","40.5767","0.0008","13.9347","0.0004","27.1523","0.0008","90","","120.821","0.001","90","","13184.4","0.6","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-fluoren-9-ylidene-2-[9-(3-oxo-3-(3-methoxyphenyl)-prop-1-ynyl)-9H-fluoren-9-yl]-1-(4-methylphenyl)-propenone","","- C92 H60 O8 -","- C92 H60 O8 -","- C736 H480 O64 -","8","1","","Scott, Janet L.; Tanaka, Koichi","Photochromic Crystals: Toward an Understanding of Color Development in the Solid State","Crystal Growth & Design","2005","5","3","1209","","10.1021/cg049591l","","","0.71073","MoKα","","0.2749","0.0945","","","0.1724","0.2378","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504875","9.7057","0.0001","17.595","0.0002","20.9577","0.0003","72.196","0.001","81.517","0.001","77.065","0.001","3309.03","0.07","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","3-fluoren-9-ylidene-2-[9-(3-oxo-3-(4-methoxyphenyl)-prop-1-ynyl)-9H-fluoren-9-yl]-1-(4-methylphenyl)-propenone","","- C92 H60 O8 -","- C92 H60 O8 -","- C184 H120 O16 -","2","1","","Scott, Janet L.; Tanaka, Koichi","Photochromic Crystals: Toward an Understanding of Color Development in the Solid State","Crystal Growth & Design","2005","5","3","1209","","10.1021/cg049591l","","","0.71073","MoKα","","0.0713","0.0465","","","0.106","0.1186","","","","","","1.024","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504876","15.332","0.0003","12.9255","0.0004","17.0902","0.0004","90","","103.065","0.003","90","","3299.16","0.15","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-fluoren-9-ylidene-2-[9-(3-oxo-3-(4-chlorophenyl)-prop-1-ynyl)-9H-fluoren-9-yl]-1-(4-methylphenyl)-propenone DMSO solvate","","- C44 H24 Cl2 O2 -","- C44 H24 Cl2 O2 -","- C176 H96 Cl8 O8 -","4","1","","Scott, Janet L.; Tanaka, Koichi","Photochromic Crystals: Toward an Understanding of Color Development in the Solid State","Crystal Growth & Design","2005","5","3","1209","","10.1021/cg049591l","","","0.71073","MoKα","","0.1987","0.0728","","","0.1487","0.19","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504877","12.0801","0.0002","18.5467","0.0003","14.5798","0.0003","90","","108.928","0.001","90","","3089.91","0.1","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1,4,4-tetraphenyl-3,6-dibenzoylhexa-1,2-diene-5-yne","","- C44 H30 O2 -","- C44 H30 O2 -","- C176 H120 O8 -","4","1","","Scott, Janet L.; Tanaka, Koichi","Photochromic Crystals: Toward an Understanding of Color Development in the Solid State","Crystal Growth & Design","2005","5","3","1209","","10.1021/cg049591l","","","0.71073","MoKα","","0.1392","0.0579","","","0.0989","0.123","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504878","8.2277","0.0016","13.182","0.003","8.2269","0.0016","94.89","0.03","107.19","0.03","85.08","0.03","847.6","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Mn2 N2 O11 -","- C14 H10 Mn2 N2 O11 -","- C28 H20 Mn4 N4 O22 -","2","1","","Wei, Yongli; Hou, Hongwei; Li, Linke; Fan, Yaoting; Zhu, Yu","From Dicarboxylic Acid to Tetranuclear Metallamacrocyclic Complex and 1D and 2D Polymers","Crystal Growth & Design","2005","5","4","1405","","10.1021/cg049596i","","","0.71073","MoKα","","0.0644","0.0536","","","0.1283","0.1363","","","","","","1.124","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504879","9.834","0.002","5.5508","0.0011","14.372","0.003","90","","104.91","0.03","90","","758.1","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 N O4 Pb -","- C7 H3 N O4 Pb -","- C28 H12 N4 O16 Pb4 -","4","1","","Wei, Yongli; Hou, Hongwei; Li, Linke; Fan, Yaoting; Zhu, Yu","From Dicarboxylic Acid to Tetranuclear Metallamacrocyclic Complex and 1D and 2D Polymers","Crystal Growth & Design","2005","5","4","1405","","10.1021/cg049596i","","","0.71073","MoKα","","0.0511","0.0454","","0.1028","0.1003","","","","1.114","1.13","1.13","","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504880","21.488","0.004","10.875","0.002","16.501","0.003","90","","115.83","0.03","90","","3470.7","1.4","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 Cd N3 O4 -","- C19 H11 Cd N3 O4 -","- C152 H88 Cd8 N24 O32 -","8","1","","Wei, Yongli; Hou, Hongwei; Li, Linke; Fan, Yaoting; Zhu, Yu","From Dicarboxylic Acid to Tetranuclear Metallamacrocyclic Complex and 1D and 2D Polymers","Crystal Growth & Design","2005","5","4","1405","","10.1021/cg049596i","","","0.71073","MoKα","","0.0426","0.0313","","","0.0662","0.0693","","","","","","1.052","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504881","12.71","0.003","10.176","0.002","13.658","0.003","90","","107.15","0.03","90","","1687.9","0.7","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O5 Zn -","- C19 H13 N3 O5 Zn -","- C76 H52 N12 O20 Zn4 -","4","1","","Wei, Yongli; Hou, Hongwei; Li, Linke; Fan, Yaoting; Zhu, Yu","From Dicarboxylic Acid to Tetranuclear Metallamacrocyclic Complex and 1D and 2D Polymers","Crystal Growth & Design","2005","5","4","1405","","10.1021/cg049596i","","","0.71073","MoKα","","0.0608","0.0411","","","0.0839","0.0885","","","","","","1.051","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504882","7.1084","0.0014","11.495","0.002","11.91","0.002","107.28","0.03","104.18","0.03","90.19","0.03","897.9","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N2 O13 Zn2 -","- C14 H6 N2 O13 Zn2 -","- C28 H12 N4 O26 Zn4 -","2","1","","Wei, Yongli; Hou, Hongwei; Li, Linke; Fan, Yaoting; Zhu, Yu","From Dicarboxylic Acid to Tetranuclear Metallamacrocyclic Complex and 1D and 2D Polymers","Crystal Growth & Design","2005","5","4","1405","","10.1021/cg049596i","","","0.71073","MoKα","","0.0898","0.0812","","","0.2194","0.2265","","","","","","1.128","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504883","12.256","0.005","33.236","0.011","8.387","0.002","90","","90","","90","","3416","2","298","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 N3 O S -","- C21 H14 N3 O S -","- C168 H112 N24 O8 S8 -","8","1","","Yao, Masaru; Asakura, Satoshi; Abe, Masahiro; Inoue, Hidenari; Yoshioka, Naoki","Formation of a One-Dimensional Stacking Structure of π-Conjugated Nitroxyl Radical Bearing a 1,2,5-Thiadiazole Ring and Its Magnetic Property","Crystal Growth & Design","2005","5","2","413","","10.1021/cg049599v","","","0.71073","MoKα","","","0.049","","","","0.137","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504884","11.173","0.001","12.536","0.002","13.026","0.001","90","","90.916","0.009","90","","1824.2","0.4","296","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N O -","- C25 H18 N O -","- C100 H72 N4 O4 -","4","1","","Yao, Masaru; Asakura, Satoshi; Abe, Masahiro; Inoue, Hidenari; Yoshioka, Naoki","Formation of a One-Dimensional Stacking Structure of π-Conjugated Nitroxyl Radical Bearing a 1,2,5-Thiadiazole Ring and Its Magnetic Property","Crystal Growth & Design","2005","5","2","413","","10.1021/cg049599v","","","1.5418","CuKα","","","0.044","","","","0.128","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504885","8.618","0.005","11.028","0.006","11.126","0.006","64.06","0.05","80.57","0.05","73.21","0.05","909.5","1","200","","200","","","","","","","","","4","P -1","-P 1","2","","[La(bta)(OH2)2]-4.5(H2O)","","- C12 H22 La O12.5 -","- C12 H9 La O12.5 -","- C24 H18 La2 O25 -","2","1","","Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts","Crystal Growth & Design","2005","5","3","1191","","10.1021/cg049600q","","","0.71075","MoKα","","0.0415","0.0262","","","0.0559","0.0578","","","","","","0.907","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504886","8.582","0.005","10.956","0.006","11.217","0.007","64.17","0.018","79.98","0.02","73.431","0.019","908.4","0.9","200","","200","","","","","","","","","4","P -1","-P 1","2","","[Ce(bta)(H2O)2]-4(H2O)","","- C12 H21 Ce O12 -","- C12 H9 Ce O12 -","- C24 H18 Ce2 O24 -","2","1","","Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts","Crystal Growth & Design","2005","5","3","1191","","10.1021/cg049600q","","","0.71075","MoKα","","0.1205","0.0763","","","0.1716","0.1797","","","","","","1","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504887","8.541","0.004","10.909","0.005","11.198","0.005","64.153","0.014","79.902","0.015","73.711","0.014","899.6","0.7","200","","200","","","","","","","","","4","P -1","-P 1","2","","[Pr(bta)(H2O)2]-2.88(H2O)-0.35EtOH","","- C12.69 H22.34 O11.98 Pr -","- C12.694 H10.735 O11.98 Pr -","- C25.388 H21.47 O23.96 Pr2 -","2","1","","Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts","Crystal Growth & Design","2005","5","3","1191","","10.1021/cg049600q","","","0.71075","MoKα","","0.0578","0.0342","","","0.0533","0.0564","","","","","","0.982","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504888","11.857","0.008","12.554","0.008","12.515","0.008","119.12","0.05","98.44","0.06","108.27","0.04","1441","2","200","","200","","","","","","","","","4","P -1","-P 1","2","","[La2(bta)2(H2O)3]-2.14(H2O)","","- C24 H28.28 La2 O17.14 -","- C24 H18 La2 O17.14 -","- C48 H36 La4 O34.28 -","2","1","","Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts","Crystal Growth & Design","2005","5","3","1191","","10.1021/cg049600q","","","0.71075","MoKα","","0.0336","0.0225","","","0.0478","0.0492","","","","","","0.921","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504889","11.812","0.007","12.444","0.008","12.522","0.009","118.949","0.019","108.3","0.02","98.387","0.018","1427.5","1.7","200","","200","","","","","","","","","4","P -1","-P 1","2","","[Ce2(bta)2(H2O)3]-2(H2O)","","- C24 H28 Ce2 O17 -","- C24 H18 Ce2 O17 -","- C48 H36 Ce4 O34 -","2","1","","Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts","Crystal Growth & Design","2005","5","3","1191","","10.1021/cg049600q","","","0.71075","MoKα","","0.0963","0.0504","","","0.059","0.0662","","","","","","0.752","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504890","11.781","0.011","12.503","0.013","12.416","0.012","118.87","0.03","98.42","0.03","108.3","0.03","1420","3","200","","200","","","","","","","","","4","P -1","-P 1","2","","[Pr2(bta)2(H2O)3]-2(H2O)","","- C24 H28 O17 Pr2 -","- C24 H24 O17 Pr2 -","- C48 H48 O34 Pr4 -","2","1","","Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts","Crystal Growth & Design","2005","5","3","1191","","10.1021/cg049600q","","","0.71075","MoKα","","0.0345","0.0251","","","0.0481","0.0498","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504891","11.7982","0.0007","12.929","0.0008","12.9381","0.0008","90","","91.429","0.001","90","","1973","0.2","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Bi I3 N5 -","- C13 H13 Bi I3 N5 -","- C52 H52 Bi4 I12 N20 -","4","1","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering","Crystal Growth & Design","2005","5","3","1181","","10.1021/cg049609s","","","0.71073","MoKα","","0.0202","0.0191","","","0.0427","0.043","","","","","","1.09","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504892","13.6491","0.0009","13.3388","0.0009","11.2567","0.0007","90","","95.94","0.001","90","","2038.4","0.2","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ag F3 N6 O3 S -","- C16 H16 Ag F3 N6 O3 S -","- C64 H64 Ag4 F12 N24 O12 S4 -","4","1","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering","Crystal Growth & Design","2005","5","3","1181","","10.1021/cg049609s","","","0.71073","MoKα","","0.039","0.0356","","","0.0872","0.0894","","","","","","1.063","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504893","16.4622","0.001","10.5959","0.0006","20.3165","0.0012","90","","112.134","0.001","90","","3282.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 B Cl F4 N5 Pt -","- C13 H13 B Cl F4 N5 Pt -","- C104 H104 B8 Cl8 F32 N40 Pt8 -","8","1","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering","Crystal Growth & Design","2005","5","3","1181","","10.1021/cg049609s","","","0.71073","MoKα","","0.0237","0.0224","","","0.0547","0.0553","","","","","","1.156","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504894","19.144","0.0013","18.8439","0.0013","10.6967","0.0007","90","","90.257","0.001","90","","3858.8","0.5","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H35 B2 Cd F8 N12 O0.5 -","- C36 H34 B2 Cd F8 N12 O0.49 -","- C144 H136 B8 Cd4 F32 N48 O1.96 -","4","0.5","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering","Crystal Growth & Design","2005","5","3","1181","","10.1021/cg049609s","","","0.71073","MoKα","","0.0348","0.0339","","","0.0849","0.0855","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504895","13.0114","0.0007","17.3285","0.0009","18.8523","0.001","90","","102.816","0.001","90","","4144.7","0.4","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C85 H71 B4 Cd2 F16 N17 O5 -","- C85 H71 B4 Cd2 F16 N17 O5 -","- C170 H142 B8 Cd4 F32 N34 O10 -","2","1","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering","Crystal Growth & Design","2005","5","3","1181","","10.1021/cg049609s","","","0.71073","MoKα","","0.0347","0.0331","","","0.0742","0.075","","","","","","1.052","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4504896","12.137","0.007","7.742","0.005","18.618","0.009","90","","90","","90","","1749.4","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C56 H56 Cd8 N8 O48 -","8","1","","Tong, Ming-Liang; Hu, Sheng; Wang, Jing; Kitagawa, Susumu; Ng, Seik Weng","Supramolecular Isomerism in Cadmium Hydroxide Phases. Temperature-Dependent Synthesis and Structure of Photoluminescent Coordination Polymers of α- and β-Cd2(OH)2(2,4-pyda)","Crystal Growth & Design","2005","5","3","837","","10.1021/cg049610r","","","0.71073","MoKα","","0.0465","0.0391","","","0.0906","0.0939","","","","","","1.133","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504897","10.4291","0.0009","6.0983","0.0005","15.2762","0.0013","90","","106.992","0.002","90","","929.15","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cd2 N O6 -","- C7 H5 Cd2 N O6 -","- C28 H20 Cd8 N4 O24 -","4","1","","Tong, Ming-Liang; Hu, Sheng; Wang, Jing; Kitagawa, Susumu; Ng, Seik Weng","Supramolecular Isomerism in Cadmium Hydroxide Phases. Temperature-Dependent Synthesis and Structure of Photoluminescent Coordination Polymers of α- and β-Cd2(OH)2(2,4-pyda)","Crystal Growth & Design","2005","5","3","837","","10.1021/cg049610r","","","0.71073","MoKα","","0.0244","0.022","","","0.0498","0.0508","","","","","","1.089","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504898","10.523","0.006","11.065","0.008","8.061","0.004","90","","94.643","0.012","90","","935.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cd2 N O6 -","- C7 H5 Cd2 N O6 -","- C28 H20 Cd8 N4 O24 -","4","1","","Tong, Ming-Liang; Hu, Sheng; Wang, Jing; Kitagawa, Susumu; Ng, Seik Weng","Supramolecular Isomerism in Cadmium Hydroxide Phases. Temperature-Dependent Synthesis and Structure of Photoluminescent Coordination Polymers of α- and β-Cd2(OH)2(2,4-pyda)","Crystal Growth & Design","2005","5","3","837","","10.1021/cg049610r","","","0.71073","MoKα","","0.0245","0.0211","","","0.0612","0.0725","","","","","","1.261","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504899","9.6735","0.0003","19.5436","0.0005","7.0889","0.0002","90","","94.4613","0.0011","90","","1336.13","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cu N8 -","- C12 H10 Cu N8 -","- C48 H40 Cu4 N32 -","4","1","","Gao, En-Qing; Yue, Yan-Feng; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","One-Dimensional Copper(II) Complexes Containing Only Single End-On Azido Bridges: Crystal Structures and Magnetic Properties","Crystal Growth & Design","2005","5","3","1119","","10.1021/cg0496181","","","0.71073","MoKα","","0.1058","0.0385","","","0.0647","0.0782","","","","","","0.957","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504900","18.4371","0.0003","21.3954","0.0004","7.2088","0.0001","90","","90","","90","","2843.65","0.08","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H9 Cl Cu N8 -","- C12 H9 Cl Cu N8 -","- C96 H72 Cl8 Cu8 N64 -","8","1","","Gao, En-Qing; Yue, Yan-Feng; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","One-Dimensional Copper(II) Complexes Containing Only Single End-On Azido Bridges: Crystal Structures and Magnetic Properties","Crystal Growth & Design","2005","5","3","1119","","10.1021/cg0496181","","","0.71073","MoKα","","0.081","0.0358","","","0.0732","0.0856","","","","","","1.017","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504901","14.115","0.003","11.592","0.003","17.743","0.004","90","","92.529","0.004","90","","2900.3","1.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C31 H32 O11 S -","- C31 H32 O11 S -","- C124 H128 O44 S4 -","4","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.0532","0.0484","","","0.123","0.1269","","","","","","1.024","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504902","31.182","0.004","11.2219","0.0013","22.715","0.003","90","","109.948","0.002","90","","7471.6","1.6","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.5 H35 O11 S -","- C35.5 H35 O11 S -","- C284 H280 O88 S8 -","8","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.0908","0.067","","","0.1727","0.1853","","","","","","0.944","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504903","30.561","0.017","10.925","0.006","22.255","0.012","90","","114.922","0.01","90","","6739","6","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C32.38 H34.75 Cl2.75 O11 S -","- C32.375 H34.75 Cl2.75 O11 S -","- C259 H278 Cl22 O88 S8 -","8","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.1248","0.0905","","","0.199","0.2186","","","","","","1.072","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504904","31.047","0.006","11.2665","0.0018","22.631","0.004","90","","109.88","0.004","90","","7444","2","133","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.5 H40 O11.25 S -","- C35.5 H40 O11.25 S -","- C284 H320 O90 S8 -","8","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.0818","0.071","","","0.1969","0.2095","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504905","30.623","0.009","11.129","0.004","22.529","0.007","90","","111.05","0.005","90","","7166","4","133","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C37.75 H39.25 N1.5 O11.38 S -","- C37.75 H39.25 N1.5 O11.375 S -","- C302 H314 N12 O91 S8 -","8","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.0532","0.05","","","0.1452","0.1489","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504906","15.937","0.004","11.054","0.003","22.206","0.006","90","","108.432","0.004","90","","3711.3","1.7","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C36.5 H43 O13.75 S -","- C36.5 H43 O13.75 S -","- C146 H172 O55 S4 -","4","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.1149","0.0911","","","0.247","0.2697","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504907","18.932","0.002","5.6894","0.0007","10.4151","0.0013","90","","90","","90","","1121.8","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-aminopyridinium 4-aminobenzoate 1:1","2-aminopyridinium 4-aminobenzoate 1:1","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0287","0.0284","","","0.0718","0.0721","","","","","","1.087","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504908","12.5619","0.0013","8.0768","0.0009","12.2356","0.0013","90","","109.831","0.002","90","","1167.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-aminopyridinium isophthalate 1:1","2-aminopyridinium isophthalate 1:1","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0362","0.0331","","","0.0931","0.0959","","","","","","0.966","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504909","5.1991","0.0008","14.606","0.002","11.1897","0.0017","90","","95.094","0.003","90","","846.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminopyridinium terephthalate 2:1","2-aminopyridinium terephthalate 2:1","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C36 H36 N8 O8 -","2","0.5","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0545","0.0434","","","0.1037","0.1091","","","","","","1.029","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504910","9.678","0.003","10.838","0.004","11.836","0.004","90","","111.21","0.006","90","","1157.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-amino-5-picolinium benzoate 1:1","2-amino-5-picolinium benzoate 1:1","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0682","0.0553","","","0.1518","0.1625","","","","","","1.058","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504911","8.542","0.0012","11.0504","0.0016","13.0956","0.0019","101.086","0.002","103.007","0.002","98.983","0.002","1155.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2-amino-5-picolinium 5-t-butylisophthalate","2-amino-5-picolinium 5-t-butylisophthalate 2:1","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C48 H60 N8 O8 -","2","1","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0689","0.0582","","","0.1592","0.1681","","","","","","1.056","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504912","5.627","0.002","14.48","0.006","11.351","0.004","90","","99.622","0.007","90","","911.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-amino-5-picolinium terephthalate 2:1","2-amino-5-picolinium terephthalate 2:1","","- C10 H11 N2 O2 -","- C10 H11 N2 O2 -","- C40 H44 N8 O8 -","4","1","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.1014","0.0744","","","0.183","0.2023","","","","","","0.907","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504913","5.834","0.002","16.26","0.007","10.985","0.004","90","","92.141","0.007","90","","1041.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-amino-5-methylpyridinium 2,6-naphthalenedicarboxylate 2:1","2-amino-5-methylpyridinium 2,6-naphthalenedicarboxylate 2:1","","- C24 H24 N4 O4 -","- C24 H24 N4 O4 -","- C48 H48 N8 O8 -","2","0.5","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.066","0.0536","","","0.1353","0.1424","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504914","5.07","0.0007","7.2081","0.001","18.388","0.003","88.468","0.002","85.015","0.002","72.373","0.002","638.02","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2-amino-5-picolinium adipate adipic acid 2:1:1","2-amino-5-picolinium adipate adipic acid 2:1:1","","- C24 H36 N4 O8 -","- C24 H36 N4 O8 -","- C24 H36 N4 O8 -","1","0.5","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0485","0.0433","","","0.1208","0.1324","","","","","","1.121","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504915","14.7349","0.001","18.7523","0.0012","9.074","0.0006","90","","90","","90","","2507.3","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","2-amino-5-picolinium 2,5-thiophenedicarboxylate 2,5-thiophenedicarboxylic acid","2-amino-5-picolinium 2,5-thiophenedicarboxylate 2,5-thiophenedicarboxylic acid","","- C24 H24 N4 O8 S2 -","- C24 H24 N4 O8 S2 -","- C96 H96 N16 O32 S8 -","4","0.5","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0372","0.0339","","","0.0887","0.0907","","","","","","1.064","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504916","12.564","0.0016","11.3377","0.0014","30.501","0.004","90","","90","","90","","4344.8","1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","2-amino-5-picolinium Indomethacine 1:1","2-amino-5-picolinium Indomethacine 1:1","","- C25 H24 Cl N3 O4 -","- C25 H24 Cl N3 O4 -","- C200 H192 Cl8 N24 O32 -","8","2","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0929","0.0718","","","0.1693","0.1837","","","","","","1.038","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504917","5.9131","0.0004","10.4071","0.0009","13.4411","0.0007","90","","90","","90","","827.14","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cobalt citrate monohydrate","","","- C6 H8 Co O8 -","- C6 H8 Co O8 -","- C24 H32 Co4 O32 -","4","1","","Zhou, Zhao-Hui; Deng, Yuan-Fu; Wan, Hui-Lin","Structural Diversities of Cobalt(II) Coordination Polymers with Citric Acid","Crystal Growth & Design","2005","5","3","1109","","10.1021/cg0496282","","","0.71073","MoKα","","0.0427","0.0383","","","0.071","0.0723","","","","","","0.997","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504918","11.204","0.0012","11.91","0.0012","12.0139","0.0013","90","","116.254","0.002","90","","1437.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tri-cobalt citrate","","","- C12 H38 Co3 O28 -","- C12 H38 Co3 O28 -","- C24 H76 Co6 O56 -","2","0.5","","Zhou, Zhao-Hui; Deng, Yuan-Fu; Wan, Hui-Lin","Structural Diversities of Cobalt(II) Coordination Polymers with Citric Acid","Crystal Growth & Design","2005","5","3","1109","","10.1021/cg0496282","","","0.71073","MoKα","","0.0798","0.04","","","0.052","0.0568","","","","","","0.683","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504919","9.054","0.0007","6.6468","0.0005","20.277","0.0015","90","","96.871","0.001","90","","1211.51","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trinuclear cobalt citrate","","","- C12 H30 Co3 O24 -","- C12 H30 Co3 O24 -","- C24 H60 Co6 O48 -","2","0.5","","Zhou, Zhao-Hui; Deng, Yuan-Fu; Wan, Hui-Lin","Structural Diversities of Cobalt(II) Coordination Polymers with Citric Acid","Crystal Growth & Design","2005","5","3","1109","","10.1021/cg0496282","","","0.71073","MoKα","","0.0894","0.0575","","","0.1188","0.134","","","","","","1.024","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504920","11.8034","0.0009","8.3749","0.0006","9.5543","0.0007","90","","96.213","0.001","90","","938.92","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ammonium cobalt citrate monohydrate","","","- C6 H11 Co N O8 -","- C6 H11 Co N O8 -","- C24 H44 Co4 N4 O32 -","4","1","","Zhou, Zhao-Hui; Deng, Yuan-Fu; Wan, Hui-Lin","Structural Diversities of Cobalt(II) Coordination Polymers with Citric Acid","Crystal Growth & Design","2005","5","3","1109","","10.1021/cg0496282","","","0.71073","MoKα","","0.0772","0.0549","","","0.1217","0.1307","","","","","","1.044","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504921","7.5842","0.0008","7.771","0.0008","13.812","0.001","102.67","0.002","95.096","0.002","94.973","0.002","786.34","0.13","124.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 N6 O6 S2 -","- C12.25 H17 N3 O5 S -","- C24.5 H34 N6 O10 S2 -","2","1","","Voogt, Jason N.; Blanch, Harvey W.","Temperature-Dependent Solvent Disruption of Guanidinium-1,5-Naphthalenedisulfonate Networks Yields a One-Dimensional Pore Structure","Crystal Growth & Design","2005","5","3","1135","","10.1021/cg049636i","","","0.7107","MoKα","","","0.0537","","","","0.0634","","","","","","2.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504922","7.8217","0.0008","19.228","0.002","7.438","0.0008","90","","90","","90","","1118.6","0.2","123.2","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C14 H26 N3 O8 S2 -","- C15.4 H18 N6 O8 S2 -","- C30.8 H36 N12 O16 S4 -","2","0.25","","Voogt, Jason N.; Blanch, Harvey W.","Temperature-Dependent Solvent Disruption of Guanidinium-1,5-Naphthalenedisulfonate Networks Yields a One-Dimensional Pore Structure","Crystal Growth & Design","2005","5","3","1135","","10.1021/cg049636i","","","0.7107","MoKα","","","0.0698","","","","0.1067","","","","","","4.495","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504923","8.4292","0.0006","9.4026","0.0007","8.276","0.0006","90","","93.156","0.001","90","","654.93","0.08","298","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 N2 O4 Zn -","- C5 H4 N2 O4 Zn -","- C20 H16 N8 O16 Zn4 -","4","1","","Lu, Jing; Zhao, Kui; Fang, Qian-Rong; Xu, Ji-Qing; Yu, Jie-Hui; Zhang, Xiao; Bie, Hai-Ying; Wang, Tie-Gang","Synthesis and Characterization of Four Novel Supramolecular Compounds Based on Metal Zinc and Cadmium","Crystal Growth & Design","2005","5","3","1091","","10.1021/cg049637a","","","0.71073","MoKα","","0.031","0.0285","","","0.0707","0.0722","","","","","","1.057","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504924","10.3405","0.0009","10.0948","0.0006","12.1549","0.0006","90","","109.317","0.004","90","","1197.36","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N6 Zn -","- C12 H8 N6 Zn -","- C48 H32 N24 Zn4 -","4","1","","Lu, Jing; Zhao, Kui; Fang, Qian-Rong; Xu, Ji-Qing; Yu, Jie-Hui; Zhang, Xiao; Bie, Hai-Ying; Wang, Tie-Gang","Synthesis and Characterization of Four Novel Supramolecular Compounds Based on Metal Zinc and Cadmium","Crystal Growth & Design","2005","5","3","1091","","10.1021/cg049637a","","","0.71073","MoKα","","0.0839","0.0395","","","0.0593","0.0687","","","","","","0.859","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504925","7.3915","0.0006","5.9789","0.0005","12.3309","0.0006","90","","92.885","0.002","90","","544.25","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H2 Cd2 O6 -","- C2 Cd2 O6 -","- C8 Cd8 O24 -","4","1","","Lu, Jing; Zhao, Kui; Fang, Qian-Rong; Xu, Ji-Qing; Yu, Jie-Hui; Zhang, Xiao; Bie, Hai-Ying; Wang, Tie-Gang","Synthesis and Characterization of Four Novel Supramolecular Compounds Based on Metal Zinc and Cadmium","Crystal Growth & Design","2005","5","3","1091","","10.1021/cg049637a","","","0.71073","MoKα","","0.0287","0.0262","","","0.0572","0.0585","","","","","","1.189","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504926","12.1631","0.0012","12.433","0.0012","14.9601","0.0014","83.957","0.002","89.001","0.002","83.13","0.002","2233.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H49 N6 O10 -","- C48 H49 N6 O10 -","- C96 H98 N12 O20 -","2","1","","Barnes, Charles L.; Bosch, Eric","The Quest for Chain-Link Hydrogen-Bonded Capsules: Self-Assembly of C-Methyl Calix[4]resorcinarene with 5,5‘-Bipyrimidine","Crystal Growth & Design","2005","5","3","1049","","10.1021/cg049639v","","","0.71073","MoKα","","0.0856","0.0624","","","0.1688","0.1886","","","","","","1.028","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504927","15.5432","0.0011","15.8676","0.0011","15.917","0.0011","94.926","0.001","117.339","0.001","115.926","0.001","2927.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H65 N9 O8 -","- C63 H65 N9 O8 -","- C126 H130 N18 O16 -","2","1","","Barnes, Charles L.; Bosch, Eric","The Quest for Chain-Link Hydrogen-Bonded Capsules: Self-Assembly of C-Methyl Calix[4]resorcinarene with 5,5‘-Bipyrimidine","Crystal Growth & Design","2005","5","3","1049","","10.1021/cg049639v","","","0.71073","MoKα","","0.1632","0.0652","","","0.1562","0.1976","","","","","","1","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504928","10.2272","0.0008","10.543","0.0008","17.2047","0.0014","92.397","0.001","91.766","0.001","110.519","0.001","1733.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H43 N4 O9 -","- C40 H43 N4 O9 -","- C80 H86 N8 O18 -","2","1","","Barnes, Charles L.; Bosch, Eric","The Quest for Chain-Link Hydrogen-Bonded Capsules: Self-Assembly of C-Methyl Calix[4]resorcinarene with 5,5‘-Bipyrimidine","Crystal Growth & Design","2005","5","3","1049","","10.1021/cg049639v","","","0.71073","MoKα","","0.0778","0.0442","","","0.1021","0.1197","","","","","","1.016","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504929","12.511","0.003","27.82","0.006","23.127","0.005","90","","92.6","0.03","90","","8041","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C420 H312 N24 O24 -","12","3","","Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli","Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines","Crystal Growth & Design","2005","5","3","1041","","10.1021/cg049650v","","","0.71073","MoKα","","0.1305","0.0534","","","0.1134","0.1354","","","","","","0.969","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504930","14.424","0.003","10.901","0.002","14.962","0.003","90","","95.24","0.03","90","","2342.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 N O2 -","- C31 H24 N O2 -","- C124 H96 N4 O8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli","Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines","Crystal Growth & Design","2005","5","3","1041","","10.1021/cg049650v","","","0.71073","MoKα","","0.161","0.0536","","","0.1201","0.1369","","","","","","0.88","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504931","19.971","0.004","10.782","0.002","20.781","0.004","90","","90","","90","","4474.7","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C62 H46 N2 O4 -","- C62 H46 N2 O4 -","- C248 H184 N8 O16 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli","Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines","Crystal Growth & Design","2005","5","3","1041","","10.1021/cg049650v","","","0.71073","MoKα","","0.0518","0.034","","","0.0722","0.0753","","","","","","0.829","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504932","18.988","0.004","13.295","0.003","11.009","0.002","90","","105.97","0.03","90","","2671.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 N2 O4 -","- C35 H26 N2 O4 -","- C140 H104 N8 O16 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli","Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines","Crystal Growth & Design","2005","5","3","1041","","10.1021/cg049650v","","","0.71073","MoKα","","0.0765","0.0442","","","0.1018","0.1112","","","","","","1.03","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504933","6.2951","0.0013","7.6354","0.0015","25.366","0.005","82.75","0.03","87.55","0.03","66.96","0.03","1113","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","1","","Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli","Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines","Crystal Growth & Design","2005","5","3","1041","","10.1021/cg049650v","","","0.71073","MoKα","","0.0919","0.0608","","","0.176","0.1992","","","","","","1.051","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504934","16.041","0.002","16.041","0.002","17.659","0.004","90","","90","","90","","4543.9","1.3","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C30 H42 Cl2 Co N4 O13 S4 -","- C30 H36 Cl2 Co N4 O13 S4 -","- C120 H144 Cl8 Co4 N16 O52 S16 -","4","0.25","","Xie, Ya-Bo; Li, Jian-Rong; Zhang, Chong; Bu, Xian-He","Syntheses and Crystal Structures of Manganese(II), Cadmium(II), Cobalt(II), and Zinc(II) Complexes with 4-Pyridyl Dithioether Ligands","Crystal Growth & Design","2005","5","5","1743","","10.1021/cg0496538","","","0.71073","MoKα","","0.1441","0.0976","","","0.2574","0.2848","","","","","","0.857","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4504935","15.97","0.003","15.97","0.003","17.523","0.006","90","","90","","90","","4469.1","1.9","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C30 H42 Cl2 N4 O13 S4 Zn -","- C30 H36 Cl2 N4 O13 S4 Zn -","- C120 H144 Cl8 N16 O52 S16 Zn4 -","4","0.25","","Xie, Ya-Bo; Li, Jian-Rong; Zhang, Chong; Bu, Xian-He","Syntheses and Crystal Structures of Manganese(II), Cadmium(II), Cobalt(II), and Zinc(II) Complexes with 4-Pyridyl Dithioether Ligands","Crystal Growth & Design","2005","5","5","1743","","10.1021/cg0496538","","","0.71073","MoKα","","0.1876","0.0899","","","0.2283","0.2748","","","","","","0.844","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4504936","4.4143","0.0001","14.7701","0.0005","15.9119","0.0006","90","","96.485","0.001","90","","1030.81","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N8 O8 -","- C18 H22 N8 O8 -","- C36 H44 N16 O16 -","2","0.5","","Trask, Andrew V.; Motherwell, W. D. Samuel; Jones, William","Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration","Crystal Growth & Design","2005","5","3","1013","","10.1021/cg0496540","","","0.71073","MoKα","","0.0587","0.0462","","","0.1162","0.1235","","","","","","1.126","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504937","30.3992","0.0012","31.2845","0.0016","4.6739","0.0002","90","","90","","90","","4445","0.3","180","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H24 N8 O8 -","- C19 H24 N8 O8 -","- C152 H192 N64 O64 -","8","0.5","","Trask, Andrew V.; Motherwell, W. D. Samuel; Jones, William","Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration","Crystal Growth & Design","2005","5","3","1013","","10.1021/cg0496540","","","0.71073","MoKα","","0.0702","0.0425","","","0.0855","0.0954","","","","","","1.079","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504938","6.8565","0.0002","12.5051","0.0004","15.8362","0.0005","90","","93.61","0.001","90","","1355.12","0.07","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N4 O6 -","- C12 H14 N4 O6 -","- C48 H56 N16 O24 -","4","1","","Trask, Andrew V.; Motherwell, W. D. Samuel; Jones, William","Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration","Crystal Growth & Design","2005","5","3","1013","","10.1021/cg0496540","","","0.71073","MoKα","","0.0763","0.0437","","","0.0962","0.11","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504939","13.0129","0.0005","6.6017","0.0002","17.1427","0.0008","90","","97.836","0.001","90","","1458.93","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N4 O6 -","- C13 H18 N4 O6 -","- C52 H72 N16 O24 -","4","1","","Trask, Andrew V.; Motherwell, W. D. Samuel; Jones, William","Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration","Crystal Growth & Design","2005","5","3","1013","","10.1021/cg0496540","","","0.71073","MoKα","","0.1061","0.0645","","","0.187","0.2271","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504940","8.3212","0.0008","8.6667","0.0008","11.3636","0.0012","68.955","0.004","78.559","0.004","74.236","0.004","731.43","0.13","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N4 O6 -","- C13 H18 N4 O6 -","- C26 H36 N8 O12 -","2","1","","Trask, Andrew V.; Motherwell, W. D. Samuel; Jones, William","Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration","Crystal Growth & Design","2005","5","3","1013","","10.1021/cg0496540","","","0.71073","MoKα","","0.0815","0.0572","","","0.1569","0.1771","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504941","8.9231","0.0002","11.2023","0.0002","12.7643","0.0002","101.477","0.0011","97.0069","0.0009","98.7719","0.0009","1220.39","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cl2 Mn N12 O12 -","- C42 H50 Cl2 Mn N12 O12 -","- C42 H50 Cl2 Mn N12 O12 -","1","0.5","","Gao, En-Qing; Cheng, Ai-Ling; Xu, Yan-Xia; Yan, Chun-Hua; He, Ming-Yuan","New Inorganic−Organic Hybrid Supramolecular Architectures Generated from 2,5-Bis(3-pyridyl)-3,4-diaza-2,4-hexadiene","Crystal Growth & Design","2005","5","3","1005","","10.1021/cg049659x","","","0.71073","MoKα","","0.0693","0.0474","","","0.1241","0.1371","","","","","","1.027","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504942","6.2477","0.0001","8.4165","0.0002","15.0632","0.0004","90","","101.78","0.0011","90","","775.4","0.03","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 Ag N5 O3 -","- C14 H14 Ag N5 O3 -","- C28 H28 Ag2 N10 O6 -","2","0.5","","Gao, En-Qing; Cheng, Ai-Ling; Xu, Yan-Xia; Yan, Chun-Hua; He, Ming-Yuan","New Inorganic−Organic Hybrid Supramolecular Architectures Generated from 2,5-Bis(3-pyridyl)-3,4-diaza-2,4-hexadiene","Crystal Growth & Design","2005","5","3","1005","","10.1021/cg049659x","","","0.71073","MoKα","","0.0327","0.0277","","","0.0685","0.0715","","","","","","1.097","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504943","12.1332","0.0015","16.798","0.002","46.658","0.006","90","","90","","90","","9510","2","173","2","173","2","","","","","","","","3","F d d 2","F 2 -2d","43","1R (1PBA)(C6(CN)6)","","","- C26 H20 N10 -","- C26 H20 N10 -","- C416 H320 N160 -","16","1","","Lee, Sang-Ok; Shacklady, Danielle M.; Horner, Matthew J.; Ferlay, Sylvie; Hosseini, Mir W.; Ward, Michael D.","Structural Transference and Regulation of Bimodal Assembly of Charge-Assisted Hydrogen-Bonded Networks","Crystal Growth & Design","2005","5","3","995","","10.1021/cg049660w","","","0.71073","MoKα","","0.0804","0.0747","","","0.1992","0.2068","","","","","","1.049","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4504944","6.6656","0.0006","8.2082","0.0007","22.476","0.002","83.327","0.001","82.168","0.002","84.308","0.002","1205.65","0.18","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1G (PBA)(C6(CN)6)","","","- C26 H20 N10 -","- C26 H20 N10 -","- C52 H40 N20 -","2","1","","Lee, Sang-Ok; Shacklady, Danielle M.; Horner, Matthew J.; Ferlay, Sylvie; Hosseini, Mir W.; Ward, Michael D.","Structural Transference and Regulation of Bimodal Assembly of Charge-Assisted Hydrogen-Bonded Networks","Crystal Growth & Design","2005","5","3","995","","10.1021/cg049660w","","","0.71073","MoKα","","0.0612","0.0512","","","0.1304","0.1367","","","","","","1.018","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504945","5.746","0.002","11.867","0.005","16.084","0.006","90","","90.473","0.005","90","","1096.7","0.7","173","2","173","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","2Y (EBA)(C6(CN)6)","","","- C22 H20 N10 -","- C22 H20 N10 -","- C44 H40 N20 -","2","0.5","","Lee, Sang-Ok; Shacklady, Danielle M.; Horner, Matthew J.; Ferlay, Sylvie; Hosseini, Mir W.; Ward, Michael D.","Structural Transference and Regulation of Bimodal Assembly of Charge-Assisted Hydrogen-Bonded Networks","Crystal Growth & Design","2005","5","3","995","","10.1021/cg049660w","","","0.71073","MoKα","","0.1256","0.0741","","","0.177","0.1928","","","","","","1.18","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504946","12.278","0.002","6.6757","0.0011","8.6678","0.0014","90","","115.239","0.002","90","","642.63","0.18","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cyanuric acid dihydrate","","","- C3 H7 N3 O5 -","- C3 H7 N3 O5 -","- C12 H28 N12 O20 -","4","0.5","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","Investigating Unused Hydrogen Bond Acceptors Using Known and Hypothetical Crystal Polymorphism","Crystal Growth & Design","2005","5","3","983","","10.1021/cg049661o","","","0.71073","MoKα","","0.0307","0.03","","","0.088","0.0885","","","","","","1.11","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504947","6.297","0.004","7.674","0.004","10.557","0.006","74.94","0.008","87.597","0.009","67.677","0.008","454.8","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Cyanuric acid DMF solvate","","","- C6 H10 N4 O4 -","- C6 H10 N4 O4 -","- C12 H20 N8 O8 -","2","1","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","Investigating Unused Hydrogen Bond Acceptors Using Known and Hypothetical Crystal Polymorphism","Crystal Growth & Design","2005","5","3","983","","10.1021/cg049661o","","","0.71073","MoKα","","0.0443","0.0421","","","0.1169","0.1191","","","","","","1.066","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504948","9.5205","0.0016","13.338","0.002","7.4575","0.0012","90","","107.993","0.004","90","","900.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Mn N8 -","- C16 H14 Mn N8 -","- C32 H28 Mn2 N16 -","2","0.5","","Ghoshal, D.; Ghosh, A. K.; Ribas, J.; Zangrando, E.; Mostafa, G.; Maji, T. K.; Ray Chaudhuri, N.","Synthesis, Crystal Structure, and Magnetic Behavior of Two Dicyanamido-Bridged Complexes of Manganese(II): Effect of Weak Interaction in Carving Regular Geometry","Crystal Growth & Design","2005","5","3","941","","10.1021/cg049669y","","","0.71073","MoKα","","0.146","0.0486","","","0.0767","0.0933","","","","","","0.85","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504949","7.549","0.003","12.059","0.004","14.631","0.005","90","","90","","90","","1331.9","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","bis(dicyanamide)-(2,2'-bi-imidazole)-manganese(II)","","- C10 H6 Mn N10 -","- C10 H6 Mn N10 -","- C40 H24 Mn4 N40 -","4","1","","Ghoshal, D.; Ghosh, A. K.; Ribas, J.; Zangrando, E.; Mostafa, G.; Maji, T. K.; Ray Chaudhuri, N.","Synthesis, Crystal Structure, and Magnetic Behavior of Two Dicyanamido-Bridged Complexes of Manganese(II): Effect of Weak Interaction in Carving Regular Geometry","Crystal Growth & Design","2005","5","3","941","","10.1021/cg049669y","","","0.71073","Mokα","","0.054","0.0349","","","0.0885","0.0974","","","","","","1.028","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504950","32.066","0.0003","32.066","0.0003","32.066","0.0003","90","","90","","90","","32971.2","0.5","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","Cu_cube","","","- C480 H408 Cu6 N48 O192.08 -","- C480 H408 Cu6 N48 O192 -","- C960 H816 Cu12 N96 O384 -","2","0.0416667","","Natarajan, Ramalingam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Self-Assembly of a Unique Extended-Tetrahedral 3,3‘,5,5‘-Tetrakis(4-pyridyl)bimesityl Ligand into Discrete Supramolecular Cubes by Face-Directed Metal Coordination","Crystal Growth & Design","2005","5","1","69","","10.1021/cg049683a","","","0.71073","MoKα","","0.1844","0.1472","","","0.394","0.4173","","","","","","1.394","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504951","32.2839","0.001","32.2839","0.001","32.2839","0.001","90","","90","","90","","33647.9","1.8","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","Ni_cube","","","- C456 H408 N48 Ni6 O12 -","- C456 H408 N48 Ni6 O12 -","- C912 H816 N96 Ni12 O24 -","2","0.0416667","","Natarajan, Ramalingam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Self-Assembly of a Unique Extended-Tetrahedral 3,3‘,5,5‘-Tetrakis(4-pyridyl)bimesityl Ligand into Discrete Supramolecular Cubes by Face-Directed Metal Coordination","Crystal Growth & Design","2005","5","1","69","","10.1021/cg049683a","","","0.71073","MoKα","","0.144","0.0622","","","0.1191","0.1301","","","","","","0.682","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504952","15.107","0.0009","15.107","0.0009","18.019","0.002","90","","90","","120","","3561.4","0.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-bromophenoxy)-1,3,5-triazine, hexafluorobenzene","2,4,6-tris(4-bromophenoxy)-1,3,5-triazine, hexafluorobenzene","","- C48 H24 Br6 F6 N6 O6 -","- C48 H24 Br6 F6 N6 O6 -","- C144 H72 Br18 F18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0269","0.0246","","","0.0621","0.0632","","","","","","1.035","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504953","15.619","0.002","15.619","0.002","18.361","0.004","90","","90","","120","","3879.1","1.1","123","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, collidine","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, collidine","","- C50 H35 I6 N7 O6 -","- C49.98 H24 I6 N7.02 O6 -","- C149.94 H72 I18 N21.06 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0409","0.0377","","","0.0928","0.0945","","","","","","1.109","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4504954","15.6595","0.0013","15.6595","0.0013","18.681","0.002","90","","90","","120","","3967.2","0.6","203","2","203","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, dibromomethane","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, dibromomethane","","- C45 H30 Br3 I6 N6 O6 -","- C45 H24 Br3 I6 N6 O6 -","- C135 H72 Br9 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0843","0.0682","","","0.1871","0.2017","","","","","","1.056","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504955","15.7177","0.0005","15.7177","0.0005","18.9157","0.0009","90","","90","","120","","4047","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, dichloromethane","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, dichloromethane","","- C43 H26 Cl2 I6 N6 O6 -","- C43.02 H26.04 Cl1.98 I6 N6 O6 -","- C129.06 H78.12 Cl5.94 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0612","0.0527","","","0.1728","0.1803","","","","","","1.109","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504956","15.6962","0.001","15.6962","0.001","18.9478","0.0018","90","","90","","120","","4042.8","0.5","145","2","145","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, diiodomethane","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, diiodomethane","","- C22 H14 I5 N3 O3 -","- C21.99 H13.98 I4.98 N3 O3 -","- C131.94 H83.88 I29.88 N18 O18 -","6","0.333333","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0667","0.0623","","","0.1462","0.1505","","","","","","1.094","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504957","15.686","0.004","15.686","0.004","18.583","0.007","90","","90","","120","","3960","2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, hexachlorobenzene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, hexachlorobenzene","","- C48 H24 Cl6 I6 N6 O6 -","- C48 H24 Cl6 I6 N6 O6 -","- C144 H72 Cl18 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0347","0.0307","","","0.0828","0.0847","","","","","","1.064","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504958","15.668","0.003","15.668","0.003","18.475","0.005","90","","90","","120","","3927.7","1.5","183","2","183","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, mesitylene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, mesitylene","","- C51 H36 I6 N6 O6 -","- C51 H24 I6 N6 O6 -","- C153 H72 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.059","0.0489","","","0.1167","0.1237","","","","","","1.057","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504959","15.583","0.0006","15.583","0.0006","18.3563","0.0014","90","","90","","120","","3860.3","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, 1-methylnapthalene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, 1-methylnapthalene","","- C53 H34 I6 N6 O6 -","- C53.02 H24 I6 N6 O6 -","- C159.06 H72 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0223","0.021","","","0.0546","0.0553","","","","","","1.149","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504960","15.7356","0.0008","15.7356","0.0008","18.3863","0.0013","90","","90","","120","","3942.7","0.4","145","2","145","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, tribromomesitylene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, tribromomesitylene","","- C51 H33 Br3 I6 N6 O6 -","- C51 H33 Br3 I6 N6 O6 -","- C153 H99 Br9 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0501","0.0482","","","0.1144","0.116","","","","","","1.08","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4504961","15.9236","0.0009","15.9236","0.0009","18.425","0.002","90","","90","","120","","4046","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, 1,3,5-triiodomesitylene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, 1,3,5-triiodomesitylene","","- C51 H33 I9 N6 O6 -","- C51 H24 I9 N6 O6 -","- C153 H72 I27 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0275","0.0239","","","0.0609","0.0629","","","","","","1.092","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504962","15.5466","0.0004","15.5466","0.0004","18.1511","0.0011","90","","90","","120","","3799.3","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, hexafluorobenzene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, hexafluorobenzene","","- C48 H24 F6 I6 N6 O6 -","- C48 H24 F6 I6 N6 O6 -","- C144 H72 F18 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.022","0.0212","","","0.0584","0.0589","","","","","","1.106","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504963","11.917","0.004","26.67","0.009","15.241","0.005","90","","112.694","0.006","90","","4469","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 Cd Cl3 N8 O12 -","- C43 H28 Cd Cl3 N8 O12 -","- C172 H112 Cd4 Cl12 N32 O48 -","4","1","","Lü, Xing-Qiang; Jiang, Ji-Jun; Zhang, Li; Chen, Chun-Long; Su, Cheng-Yong; Kang, Bei-Sheng","Nonpenetrating Architectures of Cd(II) Complexes Constructed by Bispyridyl-Substituted Diphthalic Diimide Ligands of Varied Geometry","Crystal Growth & Design","2005","5","2","419","","10.1021/cg049693b","","","0.71073","MoKα","","0.0928","0.0556","","","0.1596","0.1882","","","","","","1.026","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504964","9.491","0.004","10.759","0.004","15.026","0.006","74.52","0.006","83.059","0.006","84.896","0.006","1465.3","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Cd N10 O18 -","- C60 H42 Cd N10 O18 -","- C60 H42 Cd N10 O18 -","1","0.5","","Lü, Xing-Qiang; Jiang, Ji-Jun; Zhang, Li; Chen, Chun-Long; Su, Cheng-Yong; Kang, Bei-Sheng","Nonpenetrating Architectures of Cd(II) Complexes Constructed by Bispyridyl-Substituted Diphthalic Diimide Ligands of Varied Geometry","Crystal Growth & Design","2005","5","2","419","","10.1021/cg049693b","","","0.71073","MoKα","","0.0658","0.0507","","","0.1378","0.1515","","","","","","1.061","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504965","14.193","0.005","14.369","0.005","23.138","0.008","79.651","0.006","88.557","0.006","75.189","0.006","4487","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H88 Cd4 N4 S10 -","- C92 H85.5 Cd4 N4 S10 -","- C184 H171 Cd8 N8 S20 -","2","1","","Zhang, Xuanjun; Tian, Yupeng; Jin, Feng; Wu, Jieying; Xie, Yi; Tao, Xutang; Jiang, Minhua","Self-Assembly of an Organic Chromophore with Cd−S Nanoclusters: Supramolecular Structures and Enhanced Emissions","Crystal Growth & Design","2005","5","2","565","","10.1021/cg049695w","","","0.71073","MoKα","","0.2263","0.0534","","","0.0678","0.096","","","","","","0.653","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504966","14.839","0.004","15.428","0.004","18.335","0.005","98.09","0.005","97.543","0.005","106.76","0.005","3913.3","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H72 Cd4 I4 N4 O2 S6 -","- C68 H72 Cd4 I4 N4 O2 S6 -","- C136 H144 Cd8 I8 N8 O4 S12 -","2","1","","Zhang, Xuanjun; Tian, Yupeng; Jin, Feng; Wu, Jieying; Xie, Yi; Tao, Xutang; Jiang, Minhua","Self-Assembly of an Organic Chromophore with Cd−S Nanoclusters: Supramolecular Structures and Enhanced Emissions","Crystal Growth & Design","2005","5","2","565","","10.1021/cg049695w","","","0.71073","MoKα","","0.1864","0.05","","","0.0658","0.0808","","","","","","0.691","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504967","14.617","0.006","12.448","0.005","16.846","0.007","90","","95.14","0.04","90","","3053","2","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N3 O6 -","- C30 H42 N3 O6 -","- C120 H168 N12 O24 -","4","1","","Cannon, Amy S.; Foxman, Bruce M.; Guarrera, Donna J.; Warner, John C.","Noncovalent Derivatives of Hydroquinone: Complexes with Trigonal Planar Tris(N,N-dialkyl)trimesamides","Crystal Growth & Design","2005","5","2","407","","10.1021/cg049702g","","","0.71073","MoKα","","0.0988","0.0618","","0.0749","0.0653","0.0653","","","","","","1.1158","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504968","10.142","0.006","14.859","0.009","17.662","0.011","90","","98.01","0.06","90","","2636","3","294","","294","","","","1","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N3 O7 -","- C27 H33 N3 O7 -","- C108 H132 N12 O28 -","4","1","","Cannon, Amy S.; Foxman, Bruce M.; Guarrera, Donna J.; Warner, John C.","Noncovalent Derivatives of Hydroquinone: Complexes with Trigonal Planar Tris(N,N-dialkyl)trimesamides","Crystal Growth & Design","2005","5","2","407","","10.1021/cg049702g","","","0.71073","MoKα","","0.0493","0.0493","","0.048","0.048","0.048","","","","","","1.1824","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504969","4.9669","0.0009","11.459","0.004","5.4231","0.0012","90","","114.916","0.015","90","","279.93","0.13","293","","293","","","","2","","","","","4","P 1 21/n 1","-P 2yn","14","","Alpha glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","","","0.6843","synchrotron","","0.0875","0.0771","","0.1906","0.1845","0.1906","","","","","","1.1837","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504970","4.869","0.0007","11.139","0.003","5.3777","0.001","90","","116.888","0.011","90","","260.13","0.1","293","","293","","","","62","","","","","4","P 1 21/n 1","-P 2yn","14","","alpha glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","","","0.6843","synchrotron","","0.0852","0.0685","","0.1897","0.1779","0.1897","","","","","","1.0905","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504971","6.9332","0.0006","6.9332","0.0006","5.4552","0.0008","90","","90","","120","","227.1","0.04","293","","293","","","","1","","","","","4","P 31","P 31","144","","Gamma glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","","","0.71073","MoKα","","0.1053","0.0866","","0.1935","0.1723","0.1935","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504972","6.8617","0.0004","6.8617","0.0004","5.4282","0.0006","90","","90","","120","","221.33","0.03","293","","293","","","","0","","","","","4","P 31","P 31","144","","Gamma Glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","","","0.71073","MoKα","","0.0993","0.0895","","0.182","0.1733","0.182","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504973","11.156","0.004","5.8644","0.0011","5.3417","0.0017","90","","125.83","0.04","90","","283.3","0.2","293","","293","","","","2","","","","","4","P 1 21/a 1","-P 2yab","14","","delta glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","","","0.71073","MoKα","","0.0976","0.0759","","0.1969","0.1802","0.1969","","","","","","1.0458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504974","4.8887","0.001","5.7541","0.0011","5.4419","0.0011","90","","116.682","0.01","90","","136.78","0.05","","","293","","","","4.3","","","","","4","P 1 n 1","P -2yac","7","","Epsilon glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","powder diffraction","","0.4654","","","","","","","","","","","0.514","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504975","6.947","0.002","6.246","0.002","10.76","0.003","90","","104.23","0.02","90","","452.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4,4'-dimethylazoxyfurazan","3-methyl-4-[(E)-(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole","","- C6 H6 N6 O3 -","- C6 H6 N6 O3 -","- C12 H12 N12 O6 -","2","0.5","","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Computer Simulation of Crystal Structure for Three Furazan Derivatives","Crystal Growth & Design","2005","5","2","631","","10.1021/cg049717e","","","0.71073","MoKα","","0.0748","0.0442","","","0.1261","0.1328","","","","","","0.984","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504976","6.977","0.0014","6.154","0.0012","10.515","0.002","90","","108.49","0.03","90","","428.17","0.16","160","2","160","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4,4'-Dichloroazoxyfurazan","3-chloro-4-[(E)-(4-chloro-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole","","- C4 Cl2 N6 O3 -","- C4 Cl2 N6 O3 -","- C8 Cl4 N12 O6 -","2","0.5","","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Computer Simulation of Crystal Structure for Three Furazan Derivatives","Crystal Growth & Design","2005","5","2","631","","10.1021/cg049717e","","","0.71073","MoKα","","0.0561","0.0416","","","0.1204","0.1237","","","","","","1.029","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4504977","6.7202","0.0014","8.4002","0.0017","13.938","0.003","94.599","0.017","101.385","0.016","94.682","0.016","765","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4,4'-di(morpholin-1-yl)azoxyfurazan","4-{4-[(E)-(4-morpholin-4-yl-1,2,5-oxadiazol-3-yl)diazenyl]- 1,2,5-oxadiazol-3-yl}morpholine","","- C12 H16 N8 O5 -","- C12 H16 N8 O5 -","- C24 H32 N16 O10 -","2","1","","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Computer Simulation of Crystal Structure for Three Furazan Derivatives","Crystal Growth & Design","2005","5","2","631","","10.1021/cg049717e","","","0.71073","MoKα","","0.0763","0.0428","","","0.098","0.1052","","","","","","0.929","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504978","7.4894","0.0015","16.237","0.003","8.2217","0.0016","90","","92.9","0.03","90","","998.5","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C7 H6 Ag2 O7 S -","- C7 H3 Ag2 O7 S -","- C28 H12 Ag8 O28 S4 -","4","1","","Ma, Jian-Fang; Yang, Jin; Li,; Song, Shu-Yan; Zhang, Hong-Jie; Wang, Hai-Shui; Yang, Kui-Yue","Two Coordination Polymers of Ag(I) with 5-Sulfosalicylic Acid","Crystal Growth & Design","2005","5","2","807","","10.1021/cg049723a","","","0.71073","MoKα","","0.0455","0.0372","","","0.1228","0.1252","","","","","","1.119","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504979","8.3069","0.0017","11.246","0.002","12.59","0.003","112.68","0.03","97.66","0.03","95.51","0.03","1061.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Ag2 O16 S2 -","- C14 H18 Ag2 O16 S2 -","- C28 H36 Ag4 O32 S4 -","2","1","","Ma, Jian-Fang; Yang, Jin; Li,; Song, Shu-Yan; Zhang, Hong-Jie; Wang, Hai-Shui; Yang, Kui-Yue","Two Coordination Polymers of Ag(I) with 5-Sulfosalicylic Acid","Crystal Growth & Design","2005","5","2","807","","10.1021/cg049723a","","","0.71073","MoKα","","0.0339","0.0257","","","0.0745","0.0855","","","","","","1.13","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504980","7.4589","0.0015","8.1654","0.0016","13.538","0.003","90","","90","","90","","824.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 N O7 P2 -","- C2 H11 N O7 P2 -","- C8 H44 N4 O28 P8 -","4","1","","Kong, Deyuan; McBee, Jennifer L.; Clearfield, Abraham","Crystal Engineered Acid‒Base Complexes with 2D and 3D Hydrogen Bonding Systems Using a Bisphosphonic Acid as the Building Block","Crystal Growth & Design","2005","5","2","643","649","10.1021/cg0497243","","","0.71073","MoKα","","0.0317","0.0317","","","0.0847","0.0848","","","","","","1.141","","","","has coordinates","210354","2020-10-21","18:00:00",""
"4504981","9.447","0.006","18.891","0.011","13.612","0.008","90","","90.388","0.009","90","","2429","3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H42 N4 O13 P2 -","- C14 H42 N4 O13 P2 -","- C56 H168 N16 O52 P8 -","4","1","","Kong, Deyuan; McBee, Jennifer L.; Clearfield, Abraham","Crystal Engineered Acid‒Base Complexes with 2D and 3D Hydrogen Bonding Systems Using a Bisphosphonic Acid as the Building Block","Crystal Growth & Design","2005","5","2","643","649","10.1021/cg0497243","","","0.71073","MoKα","","0.033","0.0309","","","0.0816","0.0832","","","","","","1.039","","","","has coordinates","210354","2020-10-21","18:00:00",""
"4504982","10.8497","0.0008","12.8209","0.001","17.2248","0.0014","105.195","0.001","90.871","0.001","98.22","0.001","2285","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 N4 O12 P4 -","- C14 H26 N4 O12 P4 -","- C56 H104 N16 O48 P16 -","4","2","","Kong, Deyuan; McBee, Jennifer L.; Clearfield, Abraham","Crystal Engineered Acid‒Base Complexes with 2D and 3D Hydrogen Bonding Systems Using a Bisphosphonic Acid as the Building Block","Crystal Growth & Design","2005","5","2","643","649","10.1021/cg0497243","","","0.71073","MoKα","","0.0482","0.0338","","","0.0968","0.1066","","","","","","1.054","","","","has coordinates","210354","2020-10-21","18:00:00",""
"4504983","29.267","0.005","5.4416","0.001","18.067","0.003","90","","120.093","0.003","90","","2489.5","0.8","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H32 N4 O12 P4 -","- C17 H31 N4 O12 P4 -","- C68 H124 N16 O48 P16 -","4","0.5","","Kong, Deyuan; McBee, Jennifer L.; Clearfield, Abraham","Crystal Engineered Acid‒Base Complexes with 2D and 3D Hydrogen Bonding Systems Using a Bisphosphonic Acid as the Building Block","Crystal Growth & Design","2005","5","2","643","649","10.1021/cg0497243","","","0.71073","MoKα","","0.0686","0.042","","","0.0951","0.1076","","","","","","1.021","","","","has coordinates","210354","2020-10-21","18:00:00",""
"4504984","8.307","0.001","8.769","0.001","9.204","0.001","95.63","0.01","115.61","0.01","110.26","0.01","542.31","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 La2 O20 -","- C6 H6 La O10 -","- C12 H12 La2 O20 -","2","1","","Michaelides, Adonis; Skoulika, Stavroula","Reactive Microporous Rare-Earth Coordination Polymers that Exhibit Single-Crystal-to-Single-Crystal Dehydration and Rehydration","Crystal Growth & Design","2005","5","2","529","","10.1021/cg049725v","","","0.71073","MoKα","","0.0212","0.0203","","","0.0532","0.0537","","","","","","1.131","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504985","8.304","0.001","8.728","0.001","9.177","0.001","95.59","0.01","115.7","0.01","110.26","0.01","537.59","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 Ce2 O20 -","- C6 H6 Ce O10 -","- C12 H12 Ce2 O20 -","2","1","","Michaelides, Adonis; Skoulika, Stavroula","Reactive Microporous Rare-Earth Coordination Polymers that Exhibit Single-Crystal-to-Single-Crystal Dehydration and Rehydration","Crystal Growth & Design","2005","5","2","529","","10.1021/cg049725v","","","0.71073","MoKα","","0.0279","0.0254","","","0.0636","0.066","","","","","","0.924","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504986","8.279","0.002","8.731","0.003","9.098","0.003","94.83","0.04","115.54","0.01","111.93","0.02","526.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 Ce2 O18 -","- C6 H2 Ce O9 -","- C12 H4 Ce2 O18 -","2","1","","Michaelides, Adonis; Skoulika, Stavroula","Reactive Microporous Rare-Earth Coordination Polymers that Exhibit Single-Crystal-to-Single-Crystal Dehydration and Rehydration","Crystal Growth & Design","2005","5","2","529","","10.1021/cg049725v","","","0.71073","MoKα","","0.0454","0.0432","","","0.1096","0.1111","","","","","","1.08","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504987","11.0741","0.0011","11.6272","0.0013","15.2196","0.0013","90","","90","","90","","1959.7","0.3","293","2","295","2","","","","","","","","4","P n n n :2","-P 2ab 2bc","48","","","","- C24 H18 I10 N6 -","- C24 H18 I10 N6 -","- C48 H36 I20 N12 -","2","0.25","","Padgett, Clifford W.; Walsh, Rosa D.; Drake, Gregory W.; Hanks, Timothy W.; Pennington, William T.","New Conformations and Binding Modes in Halogen-Bonded and Ionic Complexes of 2,3,5,6-Tetra(2‘-pyridyl)pyrazine","Crystal Growth & Design","2005","5","2","745","","10.1021/cg049730z","","","0.71073","MoKα","","0.0361","0.0243","","","0.0451","0.0465","","","","","","0.985","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504988","11.895","0.002","11.682","0.002","12.957","0.002","90","","94.23","0.01","90","","1795.6","0.5","293","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 I8 N6 -","- C24 H20 I8 N6 -","- C48 H40 I16 N12 -","2","0.5","","Padgett, Clifford W.; Walsh, Rosa D.; Drake, Gregory W.; Hanks, Timothy W.; Pennington, William T.","New Conformations and Binding Modes in Halogen-Bonded and Ionic Complexes of 2,3,5,6-Tetra(2‘-pyridyl)pyrazine","Crystal Growth & Design","2005","5","2","745","","10.1021/cg049730z","","","0.71073","MoKα","","0.0368","0.0233","","","0.0397","0.0406","","","","","","1.019","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504989","11.607","0.004","13.987","0.006","17.854","0.005","90","","92.41","0.02","90","","2896","1.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 I4 N6 -","- C26 H16 I4 N6 -","- C104 H64 I16 N24 -","4","0.5","","Padgett, Clifford W.; Walsh, Rosa D.; Drake, Gregory W.; Hanks, Timothy W.; Pennington, William T.","New Conformations and Binding Modes in Halogen-Bonded and Ionic Complexes of 2,3,5,6-Tetra(2‘-pyridyl)pyrazine","Crystal Growth & Design","2005","5","2","745","","10.1021/cg049730z","","","0.71073","MoKα","","0.0301","0.0261","","","0.0609","0.0618","","","","","","1.075","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504990","11.552","0.002","12.742","0.003","14.589","0.003","94.22","0.03","109.01","0.03","115.57","0.03","1772.8","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H56 La4 Mo8 N4 O64 -","- C28 H56 La4 Mo8 N4 O64 -","- C28 H56 La4 Mo8 N4 O64 -","1","0.5","","Lü, Jian; Shen, Enhong; Li, Yangguang; Xiao, Dongrong; Wang, Enbo; Xu, Lin","A Novel Pillar-Layered Organic−Inorganic Hybrid Based on Lanthanide Polymer and Polyomolybdate Clusters: New Opportunity toward the Design and Synthesis of Porous Framework","Crystal Growth & Design","2005","5","1","65","","10.1021/cg049732j","","","0.71073","MoKα","","0.0355","0.0285","","","0.08","0.0832","","","","","","1.066","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504991","9.2332","0.0012","6.1926","0.0008","23.143","0.003","90","","90.548","0.002","90","","1323.2","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aminobenzoic acid 4-nitrobenzoic acid","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.0708","0.0636","","","0.1542","0.1589","","","","","","1.182","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504992","15.8195","0.0009","4.3087","0.0004","16.466","0.0008","90","","107.173","0.005","90","","1072.31","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Aminobenzoic acid 2,2'-bipyridine","4-Aminobenzoic acid 2,2'-bipyridine","","- C12 H11 N2 O2 -","- C12 H11 N2 O2 -","- C48 H44 N8 O8 -","4","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.1417","0.0573","","","0.1138","0.1442","","","","","","1.002","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504993","8.2212","0.0011","16.0895","0.0014","17.7649","0.0016","90","","101.629","0.01","90","","2301.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aminobenzoic acid 2,2'-bipyridine-n-oxide","","- C24 H22 N4 O5 -","- C24 H22 N4 O5 -","- C96 H88 N16 O20 -","4","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.1307","0.0634","","","0.1687","0.2065","","","","","","1.047","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504994","29.21","0.003","3.8089","0.0005","23.2503","0.0015","90","","118.029","0.004","90","","2283.4","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Aminobenzoic acid 2,2'-bipyridine","4-Aminobenzoic acid 2,2'-bipyridine","","- C12 H9 N2 O4 -","- C12 H9 N2 O4 -","- C96 H72 N16 O32 -","8","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.1145","0.0547","","","0.1125","0.1374","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504995","7.8386","0.0004","6.8499","0.0004","20.7925","0.001","90","","92.559","0.004","90","","1115.31","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Nitrobenzoic acid 4,4'-bipyridine","","- C12 H9 N2 O4 -","- C12 H9 N2 O4 -","- C48 H36 N8 O16 -","4","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.1139","0.0554","","","0.1236","0.1519","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504996","13.105","0.003","7.1812","0.0017","23.756","0.006","90","","92.742","0.004","90","","2233.1","0.9","135","2","135","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-nitrobenzoic acid 2,2'-bipyridine-N,N'-dioxide","","- C24 H18 N4 O10 -","- C24 H18 N4 O10 -","- C96 H72 N16 O40 -","4","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.0837","0.0528","","","0.1089","0.122","","","","","","1.022","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504997","9.2934","0.0006","11.6146","0.0006","12.2041","0.001","65.308","0.006","74.856","0.005","75.299","0.004","1139.47","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-Nitrobenzoic acid 4,4'-bipyridine-N,N'-dioxide","","- C24 H18 N4 O10 -","- C24 H18 N4 O10 -","- C48 H36 N8 O20 -","2","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.1117","0.0527","","","0.1191","0.1438","","","","","","1.022","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504998","29.95","0.006","9.809","0.002","19.848","0.004","90","","93.59","0.03","90","","5819","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 N2 O2 -","- C37 H22 N2 O2 -","- C296 H176 N16 O16 -","8","1","","Biradha, Kumar; Mahata, Goutam","Enclathration of Aromatic Molecules by the O−H···N Supramolecular Adducts of Racemic-bis-β-naphthol and 4,4‘-Bipyridine","Crystal Growth & Design","2005","5","1","61","","10.1021/cg049761u","","","0.71073","MoKα","","0.1411","0.0636","","","0.1617","0.2257","","","","","","1.037","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504999","16.218","0.003","9.536","0.0019","17.675","0.004","90","","93.33","0.03","90","","2728.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N2 O2 -","- C36 H27 N2 O2 -","- C144 H108 N8 O8 -","4","1","","Biradha, Kumar; Mahata, Goutam","Enclathration of Aromatic Molecules by the O−H···N Supramolecular Adducts of Racemic-bis-β-naphthol and 4,4‘-Bipyridine","Crystal Growth & Design","2005","5","1","61","","10.1021/cg049761u","","","0.71073","MoKα","","0.1267","0.0575","","","0.1283","0.1862","","","","","","1.076","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4505000","9.894","0.002","18.022","0.004","18.045","0.004","90","","101.07","0.03","90","","3157.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N4 O2 -","- C40 H30 N4 O2 -","- C160 H120 N16 O8 -","4","1","","Biradha, Kumar; Mahata, Goutam","Enclathration of Aromatic Molecules by the O−H···N Supramolecular Adducts of Racemic-bis-β-naphthol and 4,4‘-Bipyridine","Crystal Growth & Design","2005","5","1","61","","10.1021/cg049761u","","","0.71073","MoKα","","0.1995","0.0764","","","0.1503","0.2292","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505001","13.1347","0.0016","10.912","0.002","12.203","0.002","90","","90","","90","","1749","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-aminopyridinium 4-nitrophenolate . 4-nitrophenol ?","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C68 H64 N16 O24 -","4","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Salts of 4-Nitrophenolate with H-Bonded Helical Formations: Structure-Directing Role ofortho-Aminopyridines","Crystal Growth & Design","2005","5","2","721","","10.1021/cg049763e","","","0.71073","MoKα","","0.1222","0.0447","","","0.1153","0.1154","","","","","","0.961","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505002","13.6129","0.0014","10.9042","0.0011","12.0323","0.0012","90","","90","","90","","1786","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,6-diaminopyridinium 4-nitrophenolate . 4-nitrophenol ?","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C68 H68 N20 O24 -","4","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Salts of 4-Nitrophenolate with H-Bonded Helical Formations: Structure-Directing Role ofortho-Aminopyridines","Crystal Growth & Design","2005","5","2","721","","10.1021/cg049763e","","","0.71073","MoKα","","0.0694","0.0415","","","0.1247","0.1247","","","","","","0.857","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505003","14.6255","0.0015","14.6255","0.0015","18.848","0.003","90","","90","","120","","3491.5","0.8","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H15 Cl6 N6 Sb -","- C18 H15 Cl6 N6 Sb -","- C108 H90 Cl36 N36 Sb6 -","6","0.333333","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0322","0.0254","","","0.0489","0.0506","","","","","","0.991","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4505004","14.5986","0.0011","14.5986","0.0011","19.062","0.002","90","","90","","120","","3518.2","0.5","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H15 Bi Cl6 N6 -","- C18 H15 Bi Cl6 N6 -","- C108 H90 Bi6 Cl36 N36 -","6","0.166667","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0223","0.0163","","","0.0381","0.0397","","","","","","1.048","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505005","13.8577","0.0019","15.899","0.002","25.332","0.003","90","","95.302","0.002","90","","5557.4","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl18 Fe4 N12 -","- C36 H30 Cl18 Fe4 N12 -","- C144 H120 Cl72 Fe16 N48 -","4","1","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0907","0.0391","","","0.0716","0.0828","","","","","","0.905","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505006","7.5722","0.001","14.332","0.0019","14.787","0.0019","63.068","0.002","86.965","0.002","87.724","0.002","1428.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 Cl6 Fe N6 O6 -","- C18 H27 Cl6 Fe N6 O6 -","- C36 H54 Cl12 Fe2 N12 O12 -","2","1","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0412","0.029","","","0.0706","0.075","","","","","","1.006","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505007","14.6781","0.0006","14.6781","0.0006","19.0874","0.001","90","","90","","120","","3561.4","0.3","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H15 Cl6 N6 Sb -","- C18 H15 Cl6 N6 Sb -","- C108 H90 Cl36 N36 Sb6 -","6","0.166667","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0203","0.017","","","0.0453","0.0466","","","","","","1.259","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505008","14.7004","0.0012","14.7004","0.0012","19.228","0.002","90","","90","","120","","3598.5","0.6","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H15 Bi Cl6 N6 -","- C18 H15 Bi Cl6 N6 -","- C108 H90 Bi6 Cl36 N36 -","6","0.166667","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0246","0.0183","","","0.0429","0.0451","","","","","","1.069","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505009","14.6022","0.0009","14.6022","0.0009","18.5768","0.0016","90","","90","","120","","3430.3","0.4","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H15 Cl6 Fe N6 -","- C18 H15 Cl6 Fe N6 -","- C108 H90 Cl36 Fe6 N36 -","6","0.166667","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0386","0.037","","","0.1388","0.1391","","","","","","2.667","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505010","9.5743","0.0009","15.4364","0.0016","17.857","0.0017","90","","96.185","0.002","90","","2623.8","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl6 N6 O3 Sb -","- C18 H15 Cl6 N6 O3 Sb -","- C72 H60 Cl24 N24 O12 Sb4 -","4","1","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0707","0.0404","","","0.0743","0.08","","","","","","0.878","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505011","15.1595","0.0002","15.1595","0.0002","19.2129","0.0003","90","","90","","120","","3823.78","0.09","153","2","123","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H30 Bi2 Cl12 N12 O6 -","- C36 H30 Bi2 Cl12 N12 O6 -","- C108 H90 Bi6 Cl36 N36 O18 -","3","0.0833333","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","1.5418","CuKα","","0.0349","0.0261","","","0.0608","0.0637","","","","","","0.944","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505012","6.6316","0.0013","28.981","0.006","12.145","0.002","90","","98.24","0.03","90","","2310.1","0.8","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H15 Cl6 Fe N6 -","- C18 H15 Cl6 Fe N6 -","- C72 H60 Cl24 Fe4 N24 -","4","2","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0592","0.0468","","","0.0879","0.0927","","","","","","1.013","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505013","13.8503","0.0016","12.4517","0.0014","14.106","0.0017","90","","119.247","0.002","90","","2122.6","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl2 Cu2 N10 O16 -","- C32 H52 Cl2 Cu2 N10 O16 -","- C64 H104 Cl4 Cu4 N20 O32 -","2","0.5","","Liu, Zhi-Liang; Li,; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping","Oxamido-Bridged Bimetallic Complexes Involving Nitronyl Nitroxide Radical Ligands: Crystal Structure and Magnetic Behavior","Crystal Growth & Design","2005","5","2","783","","10.1021/cg0497851","","","0.71073","MoKα","","0.0472","0.0335","","","0.0826","0.0901","","","","","","1.02","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505014","7.6994","0.0001","12.4931","0.0003","22.1419","0.0004","90","","95.821","0.001","90","","2118.83","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cl2 Cu2 N10 O14 -","- C32 H44 Cl2 Cu2 N10 O14 -","- C64 H88 Cl4 Cu4 N20 O28 -","2","0.5","","Liu, Zhi-Liang; Li,; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping","Oxamido-Bridged Bimetallic Complexes Involving Nitronyl Nitroxide Radical Ligands: Crystal Structure and Magnetic Behavior","Crystal Growth & Design","2005","5","2","783","","10.1021/cg0497851","","","0.71073","MoKα","","0.0861","0.0568","","","0.1465","0.172","","","","","","1.164","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505015","23.6774","0.0004","23.6774","0.0004","9.617","0.0002","90","","90","","90","","5391.48","0.17","150","2","150","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C47 H58 Cl2 Cu2 N6 O18 -","- C47 H44 Cl2 Cu2 N6 O17.38 -","- C188 H176 Cl8 Cu8 N24 O69.52 -","4","0.5","","Madalan, Augustin M.; Kravtsov, Victor Ch.; Simonov, Yurii A.; Voronkova, Violeta; Korobchenko, Ludmila; Avarvari, Narcis; Andruh, Marius","A Unique Diamondoid Network Resulting from the Convolution of π−π Stacking and Lipophilic Interactions","Crystal Growth & Design","2005","5","1","45","","10.1021/cg049793h","","","0.71073","MoKα","","0.0891","0.0652","","","0.161","0.1732","","","","","","1.053","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505016","5.123","0.002","6.374","0.001","10.931","0.002","97.9","0.01","99.08","0.02","110.49","0.02","322.93","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cis-2-aminocyclopentanecarboxylic acid","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C12 H22 N2 O4 -","2","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.54184","CUkα","","0.0692","0.066","","","0.1726","0.1759","","","","","","1.423","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505017","5.16","0.001","6.383","0.001","12.281","0.001","95.11","0.01","100.51","0.01","108.97","0.01","371.29","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cis-2-aminocyclohexanecarboxylic acid","","- C7 H13 N O2 -","- C7 H13 N O2 -","- C14 H26 N2 O4 -","2","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","0.71073","MOkα","","0.107","0.0486","","","0.1325","0.1519","","","","","","0.856","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505018","5.134","0.001","6.317","0.001","13.468","0.001","101.5","0.01","96.17","0.01","106.25","0.02","404.68","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cis-2-aminocycloheptanecarboxylic acid","","- C8 H15 N O2 -","- C8 H15 N O2 -","- C16 H30 N2 O4 -","2","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.54184","CUkα","","0.0666","0.0581","","","0.1543","0.1595","","","","","","1.262","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505019","5.397","0.001","6.338","0.001","13.743","0.001","94.49","0.01","98.66","0.01","105.94","0.02","443.31","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cis-2-aminocyclooctanecarboxylic acid","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C18 H34 N2 O4 -","2","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.54184","CUkα","","0.0472","0.0374","","","0.1228","0.1289","","","","","","1.015","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505020","11.757","0.001","5.159","0.001","12.075","0.001","90","","110.27","0.01","90","","687.04","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-2-aminocyclohex-4-enecarboxylic acid","","- C7 H11 N O2 -","- C7 H11 N O2 -","- C28 H44 N4 O8 -","4","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.5418","CUkα","","0.0403","0.0357","","","0.1424","0.1472","","","","","","1.305","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505021","11.597","0.002","5.64","0.001","13.011","0.001","90","","111.07","0.01","90","","794.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-2-aminocyclohexanecarboxylic acid","","- C7 H13 N O2 -","- C7 H13 N O2 -","- C28 H52 N4 O8 -","4","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.54184","CUkα","","0.038","0.0354","","","0.1459","0.1486","","","","","","1.369","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505022","10.961","0.001","5.448","0.001","12.994","0.001","90","","110.97","0.01","90","","724.55","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-2-aminocyclohex-4-enecarboxylic acid","","- C7 H11 N O2 -","- C7 H11 N O2 -","- C28 H44 N4 O8 -","4","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.54184","CUkα","","0.0472","0.0382","","","0.121","0.1298","","","","","","1.039","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505023","23.387","0.001","6.654","0.001","10.007","0.001","90","","90","","90","","1557.3","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-exo-aminobicyclo[2.2.1]heptane-2-exo-carboxylic acid","","- C8 H13 N O2 -","- C8 H13 N O2 -","- C64 H104 N8 O16 -","8","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.5418","CUkα","","0.0612","0.0526","","","0.1399","0.1488","","","","","","1.076","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505024","7.7535","0.0003","13.8362","0.0005","14.0188","0.0005","107.763","0.001","98.73","0.001","97.02","0.001","1392.76","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","2,3,6,7,10,11-Hexakis(methylthio)triphenylene bismuth trichloride","","","- C48 H48 Bi2 Cl6 S12 -","- C48 H48 Bi2 Cl6 S12 -","- C48 H48 Bi2 Cl6 S12 -","1","0.5","","Xu, Zhengtao; Li, Kunhao; Fettinger, James C.; Li, Jing; King, Michael M.","A Semiconductive Coordination Network Based on 2,3,6,7,10,11-Hexakis(methylthio)triphenylene and BiCl3","Crystal Growth & Design","2005","5","2","423","","10.1021/cg049817k","","","0.71073","mokα","","0.0229","0.0197","","","0.046","0.0476","","","","","","1.064","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4505025","7.5608","0.0004","13.0954","0.0007","13.7926","0.0007","115.964","0.001","96.603","0.001","100.919","0.001","1174.88","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","2,3,6,7,10,11-Hexakis(methylthio)triphenylene","","","- C24 H24 S6 -","- C24 H24 S6 -","- C48 H48 S12 -","2","1","","Xu, Zhengtao; Li, Kunhao; Fettinger, James C.; Li, Jing; King, Michael M.","A Semiconductive Coordination Network Based on 2,3,6,7,10,11-Hexakis(methylthio)triphenylene and BiCl3","Crystal Growth & Design","2005","5","2","423","","10.1021/cg049817k","","","0.71073","MoKα","","0.0546","0.0452","","","0.1202","0.1265","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505026","18.3445","0.0011","9.5239","0.0006","17.1652","0.0011","90","","94.466","0.001","90","","2989.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 N2 O -","- C39 H30 N2 O -","- C156 H120 N8 O4 -","4","1","","Wong, Ken-Tsung; Liao, Yuan-Li; Peng, Ying-Chu; Wang, Chih-Chieh; Lin, Sue-Yi; Yang, Cheng-Han; Tseng, Shih-Min; Lee, Gene-Hsiang; Peng, Shie-Ming","A Novel Right-Angled Ligand that Forms Polymeric Metal−Organic Frameworks with Nanometer-Sized Square Cavities","Crystal Growth & Design","2005","5","2","667","","10.1021/cg049822o","","","0.71073","MoKα","","0.1704","0.0974","","","0.3001","0.3272","","","","","","1.231","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505027","25.7092","0.0012","14.4164","0.0006","15.6865","0.0007","90","","109.22","0.002","90","","5489.9","0.4","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H49 Ag B F4 N4 O -","- C71 H49 Ag B F4 N4 O -","- C284 H196 Ag4 B4 F16 N16 O4 -","4","0.5","","Wong, Ken-Tsung; Liao, Yuan-Li; Peng, Ying-Chu; Wang, Chih-Chieh; Lin, Sue-Yi; Yang, Cheng-Han; Tseng, Shih-Min; Lee, Gene-Hsiang; Peng, Shie-Ming","A Novel Right-Angled Ligand that Forms Polymeric Metal−Organic Frameworks with Nanometer-Sized Square Cavities","Crystal Growth & Design","2005","5","2","667","","10.1021/cg049822o","","","0.71073","MoKα","","0.1236","0.0677","","","0.1774","0.2136","","","","","","1.022","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505028","8.2068","0.0008","12.7017","0.0014","13.3725","0.0014","94.106","0.002","99.216","0.002","94.645","0.002","1366.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N8 O6 -","- C10 H10 N8 O6 -","- C40 H40 N32 O24 -","4","2","","Zhang, Xiu-Lian; Chen, Xiao-Ming","Supramolecular Architectures and Helical Water Chains in Cocrystals of Melamine and Aromatic Carboxylic Acids","Crystal Growth & Design","2005","5","2","617","","10.1021/cg0498251","","","0.71073","MoKα","","0.1014","0.067","","","0.1624","0.1891","","","","","","1.005","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505029","6.7992","0.0008","20.156","0.002","7.0861","0.0008","90","","93.366","0.002","90","","969.44","0.19","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 N6 O3 -","- C7 H11 N6 O3 -","- C28 H44 N24 O12 -","4","1","","Zhang, Xiu-Lian; Chen, Xiao-Ming","Supramolecular Architectures and Helical Water Chains in Cocrystals of Melamine and Aromatic Carboxylic Acids","Crystal Growth & Design","2005","5","2","617","","10.1021/cg0498251","","","0.71073","MoKα","","0.053","0.0446","","","0.1389","0.1587","","","","","","0.638","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505030","6.928","0.002","11.272","0.004","11.678","0.004","110.157","0.006","103.151","0.006","94.128","0.006","822.3","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H18 N6 O9 -","- C12 H18 N6 O9 -","- C24 H36 N12 O18 -","2","1","","Zhang, Xiu-Lian; Chen, Xiao-Ming","Supramolecular Architectures and Helical Water Chains in Cocrystals of Melamine and Aromatic Carboxylic Acids","Crystal Growth & Design","2005","5","2","617","","10.1021/cg0498251","","","0.71073","MoKα","","0.0885","0.0596","","","0.1581","0.1823","","","","","","0.909","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505031","13.139","0.003","8.164","0.002","14.947","0.003","90","","93.8","0.03","90","","1599.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N6 O7 -","- C13 H16 N6 O7 -","- C52 H64 N24 O28 -","4","1","","Zhang, Xiu-Lian; Chen, Xiao-Ming","Supramolecular Architectures and Helical Water Chains in Cocrystals of Melamine and Aromatic Carboxylic Acids","Crystal Growth & Design","2005","5","2","617","","10.1021/cg0498251","","","0.71073","MoKα","","0.0555","0.0527","","","0.1573","0.1614","","","","","","0.976","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505032","9.423","0.0019","17.386","0.004","19.934","0.004","90","","90","","90","","3265.8","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Ag2 N10 O8 -","- C27 H32 Ag2 N10 O8 -","- C108 H128 Ag8 N40 O32 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Chen, Qingqi; Ma, Jin Shi","Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers","Crystal Growth & Design","2005","5","2","661","","10.1021/cg049833h","","","0.71073","MoKα","","0.0609","0.0423","","","0.0912","0.0964","","","","","","0.938","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505033","11.693","0.002","10.006","0.002","17.434","0.004","90","","102.59","0.03","90","","1990.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Ag2 Cl4 N10 O12 -","- C28 H36 Ag2 Cl4 N10 O12 -","- C56 H72 Ag4 Cl8 N20 O24 -","2","0.5","","Zhang, Guoqi; Yang, Guoqiang; Chen, Qingqi; Ma, Jin Shi","Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers","Crystal Growth & Design","2005","5","2","661","","10.1021/cg049833h","","","0.71073","MoKα","","0.0459","0.0382","","","0.112","0.1188","","","","","","0.97","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505034","14.354","0.003","14.127","0.003","8.0576","0.0016","90","","101.91","0.03","90","","1598.7","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H18 Ag N5 O3 -","- C14 H18 Ag N5 O3 -","- C56 H72 Ag4 N20 O12 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Chen, Qingqi; Ma, Jin Shi","Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers","Crystal Growth & Design","2005","5","2","661","","10.1021/cg049833h","","","0.71073","MoKα","","0.0405","0.0358","","","0.0826","0.1016","","","","","","1.059","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505035","14.142","0.004","14.381","0.004","8.033","0.003","90","","101.35","0.02","90","","1601.8","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H18 Ag N5 O3 -","- C14 H18 Ag N5 O3 -","- C56 H72 Ag4 N20 O12 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Chen, Qingqi; Ma, Jin Shi","Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers","Crystal Growth & Design","2005","5","2","661","","10.1021/cg049833h","","","0.71073","MoKα","","0.0361","0.0318","","","0.0827","0.0874","","","","","","1.106","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505036","8.92","0.001","16.524","0.002","9.857","0.001","90","","93.836","0.01","90","","1449.6","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Remacemide","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.71069","MoKα","","0.1188","0.0409","","","0.0953","0.1152","","","","","","0.995","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505037","10.66","0.002","8.712","0.002","17.624","0.003","90","","90.77","0.018","90","","1636.6","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","remacemide hydrochloride salt","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide hydrochloride","","- C17 H21 Cl N2 O -","- C17 H21 Cl N2 O -","- C68 H84 Cl4 N8 O4 -","4","2","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.71069","MoKα","","0.0594","0.0344","","","0.084","0.0915","","","","","","1.021","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505038","11.724","0.004","8.932","0.004","15.872","0.004","90","","95.93","0.02","90","","1653.2","1","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","remacemide nitrate","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide nitrate","","- C17 H21 N3 O4 -","- C17 H21 N3 O4 -","- C68 H84 N12 O16 -","4","1","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.71069","MoKα","","0.1036","0.054","","","0.1386","0.1538","","","","","","1.107","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505039","15.4018","0.0003","6.7683","0.0001","17.3531","0.0003","90","","93.13","0.01","90","","1806.26","0.06","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","remacemide acetate","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide acetate","","- C18 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","powder diffraction","","0.850747","","","","","","","","","","","2.21","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505040","9.7297","0.0004","14.4323","0.0003","19.4269","0.0004","104.859","0.002","90.49","0.002","95.546","0.002","2622.82","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","remacemide napsilate","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide naphthalene-2-sulphonate","","- C27.77 H31.35 N2 O4.9 S -","- C27.791 H31.373 N2 O4.8955 S -","- C111.164 H125.492 N8 O19.582 S4 -","4","2","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.6892","synchrotron","","0.0731","0.0543","","","0.1475","0.1562","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505041","11.9187","0.001","31.801","0.003","7.9304","0.0007","90","","128.382","0.002","90","","2356.2","0.4","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","remacemide xinafoate","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide 1-hydroxynaphthalene-2-carboxylate","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.6892","synchrotron","","0.0619","0.0494","","","0.1206","0.1234","","","","","","1.162","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505042","11.419","0.003","10.29","0.002","15.695","0.005","90","","96.052","0.005","90","","1833.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H13 Co N3 O4.5 -","- C17.5 H11 Co N3 O4.5 -","- C70 H44 Co4 N12 O18 -","4","1","","Ghosh, Sujit K.; Ribas, Joan; Bharadwaj, Parimal K.","Characterization of 3-D Metal−Organic Frameworks Formed through Hydrogen Bonding Interactions of 2-D Networks with Rectangular Voids by CoII- and NiII-Pyridine-2,6-dicarboxylate and 4,4‘-Bipyridine or 1,2-Di(pyridyl)ethylene","Crystal Growth & Design","2005","5","2","623","","10.1021/cg049838e","","","0.71069","MoKα","","0.079","0.046","","","0.1253","0.1397","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505043","11.249","0.005","10.277","0.002","15.607","0.005","90","","97.916","0.005","90","","1787.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H13 N3 Ni O4.5 -","- C17.5 H11 N3 Ni O4.5 -","- C70 H44 N12 Ni4 O18 -","4","1","","Ghosh, Sujit K.; Ribas, Joan; Bharadwaj, Parimal K.","Characterization of 3-D Metal−Organic Frameworks Formed through Hydrogen Bonding Interactions of 2-D Networks with Rectangular Voids by CoII- and NiII-Pyridine-2,6-dicarboxylate and 4,4‘-Bipyridine or 1,2-Di(pyridyl)ethylene","Crystal Growth & Design","2005","5","2","623","","10.1021/cg049838e","","","0.71069","MoKα","","0.1322","0.0584","","","0.1548","0.1916","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505044","8.915","0.002","19.844","0.006","15.799","0.005","90","","96.083","0.005","90","","2779.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 Ni O13 -","- C26 H28 N4 Ni O13 -","- C104 H112 N16 Ni4 O52 -","4","1","","Ghosh, Sujit K.; Ribas, Joan; Bharadwaj, Parimal K.","Characterization of 3-D Metal−Organic Frameworks Formed through Hydrogen Bonding Interactions of 2-D Networks with Rectangular Voids by CoII- and NiII-Pyridine-2,6-dicarboxylate and 4,4‘-Bipyridine or 1,2-Di(pyridyl)ethylene","Crystal Growth & Design","2005","5","2","623","","10.1021/cg049838e","","","0.71069","MoKα","","0.0599","0.0391","","","0.0999","0.1169","","","","","","1.1","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505045","7.348","0.002","11.388","0.002","24.295","0.005","90","","90","","90","","2033","0.8","293","2","293","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cu2 N2 O8 -","- C18 H22 Cu2 N2 O8 -","- C72 H88 Cu8 N8 O32 -","4","1","","Yang, Xiandong; Wu, Daqing; Ranford, John D.; Vittal, Jagadese J.","Influence of the CO···π Interaction on the Thermal Dehydration Behavior of [Cu2(sgly)2(H2O)]·1H2O†","Crystal Growth & Design","2005","5","1","41","","10.1021/cg0498406","","","0.71073","MoKα","","0.068","0.0382","","","0.0673","0.0771","","","","","","0.927","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505046","9.6337","0.0012","15.2001","0.0019","19.6","0.002","90","","97.71","0.002","90","","2844.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88 B2 N4 O16 -","- C54 H88 B2 N4 O16 -","- C108 H176 B4 N8 O32 -","2","0.5","","Rodríguez-Cuamatzi, Patricia; Arillo-Flores, Oscar I.; Bernal-Uruchurtu, Margarita I.; Höpfl, Herbert","Theoretical and Experimental Evaluation of Homo- and Heterodimeric Hydrogen-Bonded Motifs Containing Boronic Acids, Carboxylic Acids, and Carboxylate Anions: Application for the Generation of Highly Stable Hydrogen-Bonded Supramolecular Systems","Crystal Growth & Design","2005","5","1","167","","10.1021/cg0498453","","","0.71073","MoKα","","0.0682","0.0607","","","0.12","0.1235","","","","","","1.237","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505047","8.64","0.0014","21.251","0.003","9.6811","0.0016","90","","112.105","0.003","90","","1646.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 B N O9 -","- C14 H14 B N O9 -","- C56 H56 B4 N4 O36 -","4","1","","Rodríguez-Cuamatzi, Patricia; Arillo-Flores, Oscar I.; Bernal-Uruchurtu, Margarita I.; Höpfl, Herbert","Theoretical and Experimental Evaluation of Homo- and Heterodimeric Hydrogen-Bonded Motifs Containing Boronic Acids, Carboxylic Acids, and Carboxylate Anions: Application for the Generation of Highly Stable Hydrogen-Bonded Supramolecular Systems","Crystal Growth & Design","2005","5","1","167","","10.1021/cg0498453","","","0.71073","MoKα","","0.1161","0.0666","","","0.1206","0.1396","","","","","","1.081","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505048","8.4979","0.0012","9.8102","0.0013","11.5937","0.0016","68.788","0.002","69.65","0.002","83.611","0.002","844.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 B N O10 -","- C14 H16 B N O10 -","- C28 H32 B2 N2 O20 -","2","1","","Rodríguez-Cuamatzi, Patricia; Arillo-Flores, Oscar I.; Bernal-Uruchurtu, Margarita I.; Höpfl, Herbert","Theoretical and Experimental Evaluation of Homo- and Heterodimeric Hydrogen-Bonded Motifs Containing Boronic Acids, Carboxylic Acids, and Carboxylate Anions: Application for the Generation of Highly Stable Hydrogen-Bonded Supramolecular Systems","Crystal Growth & Design","2005","5","1","167","","10.1021/cg0498453","","","0.71073","MoKα","","0.0884","0.0704","","","0.1433","0.1511","","","","","","1.21","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505049","10.5585","0.0011","17.4475","0.0019","16.253","0.0017","90","","91.315","0.002","90","","2993.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 B N O4 -","- C29 H48 B N O4 -","- C116 H192 B4 N4 O16 -","4","1","","Rodríguez-Cuamatzi, Patricia; Arillo-Flores, Oscar I.; Bernal-Uruchurtu, Margarita I.; Höpfl, Herbert","Theoretical and Experimental Evaluation of Homo- and Heterodimeric Hydrogen-Bonded Motifs Containing Boronic Acids, Carboxylic Acids, and Carboxylate Anions: Application for the Generation of Highly Stable Hydrogen-Bonded Supramolecular Systems","Crystal Growth & Design","2005","5","1","167","","10.1021/cg0498453","","","0.71073","MoKα","","0.1487","0.0913","","","0.168","0.1888","","","","","","1.255","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505050","8.4176","0.0005","10.3212","0.0006","11.3471","0.0006","73.459","0.002","68.572","0.002","72.099","0.002","856.56","0.09","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Co N2 O6 -","- C16 H20 Co N2 O6 -","- C32 H40 Co2 N4 O12 -","2","1","","Ang, Siau Gek; Sun, Bai Wang","Crystal Structure and Characterization of Organic−Inorganic Hybridized Molecules with Molecular Zipper Structures and Two-Dimensional Grid Networks","Crystal Growth & Design","2005","5","1","383","","10.1021/cg049847n","","","0.71073","MoKα","","0.0482","0.0417","","","0.104","0.1074","","","","","","1.066","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505051","5.4016","0.0011","7.3711","0.0016","9.823","0.002","86.412","0.004","84.113","0.004","72.99","0.004","371.81","0.13","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N2 O8 Zn -","- C14 H16 N2 O8 Zn -","- C14 H16 N2 O8 Zn -","1","0.5","","Ang, Siau Gek; Sun, Bai Wang","Crystal Structure and Characterization of Organic−Inorganic Hybridized Molecules with Molecular Zipper Structures and Two-Dimensional Grid Networks","Crystal Growth & Design","2005","5","1","383","","10.1021/cg049847n","","","0.71073","MoKα","","0.0264","0.0259","","","0.0668","0.0671","","","","","","1.084","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4505052","5.4059","0.0003","7.2938","0.0003","9.9853","0.0004","86.549","0.002","84.745","0.002","73.427","0.002","375.53","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Mn N2 O8 -","- C14 H16 Mn N2 O8 -","- C14 H16 Mn N2 O8 -","1","0.5","","Ang, Siau Gek; Sun, Bai Wang","Crystal Structure and Characterization of Organic−Inorganic Hybridized Molecules with Molecular Zipper Structures and Two-Dimensional Grid Networks","Crystal Growth & Design","2005","5","1","383","","10.1021/cg049847n","","","0.71073","MoKα","","0.0305","0.0299","","","0.0835","0.0841","","","","","","1.107","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505053","6.7947","0.0002","11.6963","0.0002","19.9102","0.0003","90","","90","","90","","1582.32","0.06","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H18 B2 Ge3 N2 O11 -","- C6 H18 B2 Ge3 N2 O11 -","- C24 H72 B8 Ge12 N8 O44 -","4","0.5","","Wang, Guo-Ming; Sun, Yan-Qiong; Yang, Guo-Yu","Syntheses and Structures of Two New Organically Templated Borogermanates","Crystal Growth & Design","2005","5","1","313","","10.1021/cg049872t","","","0.71073","MoKα","","0.0397","0.0374","","","0.0836","0.0847","","","","","","1.167","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505054","6.8736","0.0002","11.7423","0.0003","27.6476","0.0002","90","","90","","90","","2231.49","0.09","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H31 B2 Ge3 N4 O12.5 -","- C10 H20 B2 Ge3 N4 O12.5 -","- C40 H80 B8 Ge12 N16 O50 -","4","0.5","","Wang, Guo-Ming; Sun, Yan-Qiong; Yang, Guo-Yu","Syntheses and Structures of Two New Organically Templated Borogermanates","Crystal Growth & Design","2005","5","1","313","","10.1021/cg049872t","","","0.71073","MoKα","","0.038","0.0357","","","0.0856","0.0871","","","","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505055","9.006","0.002","9.006","0.002","5.6627","0.0018","90","","90","","90","","459.3","0.2","293","2","293","2","","","","","","","","7","P -4","P -4","81","","","","- C12 H16 Ag B F4 N4 O2 -","- C12 H16 Ag B F4 N4 O2 -","- C12 H16 Ag B F4 N4 O2 -","1","0.25","","Zhang, Jian; Li, Zhao-Ji; Kang, Yao; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Syntheses and Characterizations of Two Novel Silver(I) Complexes Constructed by Oxydipropionitrile Ligand","Crystal Growth & Design","2005","5","1","73","","10.1021/cg0498756","","","0.71073","MoKα","","","0.0506","","","0.1412","0.1498","","","","","","1.082","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505056","9.1699","0.001","9.1699","0.001","11.0088","0.0017","90","","90","","90","","925.7","0.2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C12 H16 Ag Cl N4 O6 -","- C12 H16 Ag Cl N4 O6 -","- C24 H32 Ag2 Cl2 N8 O12 -","2","0.25","","Zhang, Jian; Li, Zhao-Ji; Kang, Yao; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Syntheses and Characterizations of Two Novel Silver(I) Complexes Constructed by Oxydipropionitrile Ligand","Crystal Growth & Design","2005","5","1","73","","10.1021/cg0498756","","","0.71073","MoKα","","","0.0371","","","0.101","0.1059","","","","","","1.048","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505057","9.289","0.0013","9.289","0.0013","25.028","0.005","90","","90","","90","","2159.6","0.6","193","2","193","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","3,3,3',3'-tetra(2-hydroxyethyl)-1,1'-isophthaloylbis(thiourea)","","- C18 H26 N4 O6 S2 -","- C18 H26 N4 O6 S2 -","- C72 H104 N16 O24 S8 -","4","0.5","","Bourne, Susan A.; Hallale, Oren; Koch, Klaus R.","Hydrogen-Bonding Networks in a Bipodal Acyl-thiourea and Its NiII2:2 Metallamacrocyclic Complex","Crystal Growth & Design","2005","5","1","307","","10.1021/cg049877q","","","0.71073","MoKα","","0.0287","0.0266","","","0.0736","0.0753","","","","","","1.026","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505058","9.4807","0.0019","12.993","0.003","18.474","0.004","97.3","0.03","100.3","0.03","100.52","0.03","2171.2","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","cis-[Ni(L-S,O)(pyridine)2]2. pyridine/water solvate","","- C81 H86 N17 Ni2 O14 S4 -","- C81 H86 N17 Ni2 O14 S4 -","- C81 H86 N17 Ni2 O14 S4 -","1","0.5","","Bourne, Susan A.; Hallale, Oren; Koch, Klaus R.","Hydrogen-Bonding Networks in a Bipodal Acyl-thiourea and Its NiII2:2 Metallamacrocyclic Complex","Crystal Growth & Design","2005","5","1","307","","10.1021/cg049877q","","","0.71073","MoKα","","0.089","0.0508","","","0.1185","0.1345","","","","","","1.036","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505059","18.077","0.006","6.857","0.002","13.266","0.004","90","","95.271","0.004","90","","1637.4","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B5 H2 K2 O9.5 -","- B5 H2 K2 O9.5 -","- B40 H16 K16 O76 -","8","1","","Zhang, Hong-Xia; Zhang, Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Two New Potassium Borates, K4B10O15(OH)4with Stepped Chain and KB5O7(OH)2·H2O with Double Helical Chain","Crystal Growth & Design","2005","5","1","157","","10.1021/cg049888j","","","0.71073","MoKα","","0.0246","0.0234","","","0.0633","0.0641","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505060","9.4824","0.0008","7.518","0.0006","11.4154","0.0006","90","","97.277","0.003","90","","807.23","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 H4 K O10 -","- B5 H4 K O10 -","- B20 H16 K4 O40 -","4","1","","Zhang, Hong-Xia; Zhang, Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Two New Potassium Borates, K4B10O15(OH)4with Stepped Chain and KB5O7(OH)2·H2O with Double Helical Chain","Crystal Growth & Design","2005","5","1","157","","10.1021/cg049888j","","","0.71073","MoKα","","0.0677","0.0502","","","0.1271","0.1402","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505061","10.781","0.002","10.885","0.002","12.781","0.003","96.91","0.03","110.33","0.03","103.73","0.03","1332","0.6","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H27 Cu3 Mo11 N6 O39 P -","- C30 H26 Cu3 Mo11 N6 O39 P -","- C30 H26 Cu3 Mo11 N6 O39 P -","1","1","","Lu, Ying; Xu, Yan; Wang, Enbo; Lü, Jian; Hu, Changwen; Xu, Lin","Novel Two-Dimensional Network Constructed from Polyoxomolybdate Chains Linked through Copper−Organonitrogen Coordination Polymer Chains: Hydrothermal Synthesis and Structure of [H2bpy][Cu(4,4‘-bpy)]2[HPCuMo11O39]","Crystal Growth & Design","2005","5","1","257","","10.1021/cg0498960","","","0.71073","MoKα","","0.0643","0.058","","","0.1606","0.1714","","","","","","1.077","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505062","17.1433","0.0006","33.3982","0.0011","18.4415","0.0006","90","","111.875","0.001","90","","9798.5","0.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 Cu2 K La N2 O16 -","- C12 H12 Cl2 Cu2 K La N2 O16 -","- C192 H192 Cl32 Cu32 K16 La16 N32 O256 -","16","4","","Kou, Hui-Zhong; Jiang, Yun-Bo; Cui, Ai-Li","Two-Dimensional Coordination Polymers Exhibiting Antiferromagnetic Gd(III)−Cu(II) Coupling","Crystal Growth & Design","2005","5","1","77","","10.1021/cg049897s","","","0.71073","MoKα","","0.0739","0.0511","","","0.111","0.1211","","","","","","1.027","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505063","17.107","0.006","33.19","0.011","18.151","0.006","90","","111.534","0.005","90","","9586","6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 Cu2 Gd K N2 O16 -","- C12 H12 Cl2 Cu2 Gd K N2 O16.25 -","- C192 H192 Cl32 Cu32 Gd16 K16 N32 O260 -","16","4","","Kou, Hui-Zhong; Jiang, Yun-Bo; Cui, Ai-Li","Two-Dimensional Coordination Polymers Exhibiting Antiferromagnetic Gd(III)−Cu(II) Coupling","Crystal Growth & Design","2005","5","1","77","","10.1021/cg049897s","","","0.71073","MoKα","","0.1073","0.056","","","0.1059","0.1233","","","","","","1","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505064","16.9052","0.0006","32.537","0.001","18.1468","0.0006","90","","112.544","0.001","90","","9218.8","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 Cu2 Gd N2 Na O16 -","- C12 H12 Cl2 Cu2 Gd N2 Na O16 -","- C192 H192 Cl32 Cu32 Gd16 N32 Na16 O256 -","16","4","","Kou, Hui-Zhong; Jiang, Yun-Bo; Cui, Ai-Li","Two-Dimensional Coordination Polymers Exhibiting Antiferromagnetic Gd(III)−Cu(II) Coupling","Crystal Growth & Design","2005","5","1","77","","10.1021/cg049897s","","","0.71073","MoKα","","0.1248","0.0871","","","0.1833","0.202","","","","","","1.066","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505065","13.9822","0.0005","13.9822","0.0005","53.094","0.004","90","","90","","120","","8989.3","0.8","298","2","298","2","","","","","","","","2","R -3 :H","-R 3","148","1,1,1,6,6,6-hexaphenyl-2,4-hexadiyne","","","- C42 H30 -","- C42 H30 -","- C504 H360 -","12","0.666667","","Karlen, Steven D.; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Removal of Conflicting Molecular Symmetries Restores a Hexagonal Array of Six-Fold Phenyl Embraces in a bis(Trityl)-Containing Compound. I. Crystals of 1,1,1,6,6,6-Hexaphenyl-2,4-hexadiyne","Crystal Growth & Design","2005","5","1","53","","10.1021/cg049898k","","","0.71073","MoKα","","0.1123","0.0477","","","0.116","0.1415","","","","","","1","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505066","11.3366","0.001","15.3829","0.001","11.1085","0.001","90","","91.398","0.01","90","","1936.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H K O8 Zn0.5 -","- C5 H K O8 Zn0.5 -","- C40 H8 K8 O64 Zn4 -","8","1","","Lu, Kuang-Lieh; Chen, Yen-Fu; Liu, Yen-Hsiang; Cheng, Yi-Wei; Liao, Rong-Tang; Wen, Yuh-Sheng","Bottom-Up Crystal Engineering toward Nanoporosity Exemplified by a Zinc Carboxylate Coordination Polymer Adopting a Tenorite Analogue Network Topology","Crystal Growth & Design","2005","5","2","403","","10.1021/cg049908h","","x-ray","0.71073","MoKα","","0.0577","0.0391","","","0.1052","0.1156","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505067","9.753","0.002","10.353","0.002","17.208","0.003","90","","99.79","0.03","90","","1712.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O5 S -","- C16 H17 N3 O5 S -","- C64 H68 N12 O20 S4 -","4","1","","Biradha, Kumar; Mahata, Goutam","A 3D-Honeycomb Network with Unique Encapsulation of Dimers of 1D-Chains","Crystal Growth & Design","2005","5","1","49","","10.1021/cg0499257","","","0.71073","MoKα","","0.1397","0.064","","","0.148","0.2033","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505068","9.521","0.0019","19.944","0.004","26.149","0.005","90","","90","","90","","4965.4","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 N2 O6 S2 -","- C24 H24 N2 O6 S2 -","- C192 H192 N16 O48 S16 -","8","1","","Biradha, Kumar; Mahata, Goutam","A 3D-Honeycomb Network with Unique Encapsulation of Dimers of 1D-Chains","Crystal Growth & Design","2005","5","1","49","","10.1021/cg0499257","","","0.71073","MoKα","","0.1326","0.0687","","","0.1715","0.2195","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505069","11.7633","0.0019","9.5108","0.0015","16.581","0.003","90","","92.208","0.004","90","","1853.7","0.5","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H28 Ba Cr2 N4 O22 -","- C28 H16 Ba Cr2 N4 O22 -","- C56 H32 Ba2 Cr4 N8 O44 -","2","0.5","","Marinescu, Gabriela; Andruh, Marius; Julve, Miguel; Lloret, Francesc; Llusar, Rosa; Uriel, Santiago; Vaissermann, Jacqueline","Heteropolymetallic Supramolecular Solid-State Architectures Constructed from [Cr(AA)(C2O4)2]-Tectons, and Sustained by Coordinative, Hydrogen Bond and π−π Stacking Interactions (AA = 2,2‘-Bipyridine; 1,10-Phenanthroline)","Crystal Growth & Design","2005","5","1","261","","10.1021/cg049944g","","","0.71073","MoKα","","0.0585","0.0344","","","0.0874","0.094","","","","","","0.955","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505070","7.7608","0.0012","21.176","0.004","21.462","0.004","90","","99.52","0.004","90","","3478.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Ba Cr2 N4 O18 -","- C32 H18 Ba Cr2 N4 O18 -","- C128 H72 Ba4 Cr8 N16 O72 -","4","1","","Marinescu, Gabriela; Andruh, Marius; Julve, Miguel; Lloret, Francesc; Llusar, Rosa; Uriel, Santiago; Vaissermann, Jacqueline","Heteropolymetallic Supramolecular Solid-State Architectures Constructed from [Cr(AA)(C2O4)2]-Tectons, and Sustained by Coordinative, Hydrogen Bond and π−π Stacking Interactions (AA = 2,2‘-Bipyridine; 1,10-Phenanthroline)","Crystal Growth & Design","2005","5","1","261","","10.1021/cg049944g","","","0.71073","MoKα","","0.0842","0.0424","","","0.0881","0.1002","","","","","","0.968","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505071","11.401","0.004","9.943","0.003","19.681","0.006","90","","103.5","0.01","90","","2169.4","1.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4-(4-hydroxybenzyl)phenol).(4-(4-aminobenzyl)aniline)","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Vangala, Venu R.; Mondal, Raju; Broder, Charlotte K.; Howard, Judith A. K.; Desiraju, Gautam R.","Dianiline-Diphenol Molecular Complexes Based on Supraminol Recognition","Crystal Growth & Design","2005","5","1","99","","10.1021/cg049967v","","","0.71073","MoKα","","0.0581","0.0437","","","0.1095","0.1204","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505072","11.2547","0.0011","10.1129","0.0009","19.9982","0.0017","90","","103.654","0.005","90","","2211.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-(4-aminobenzyl)aniline).(4-(4-hydroxyphenylsulfanyl)phenol)","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Vangala, Venu R.; Mondal, Raju; Broder, Charlotte K.; Howard, Judith A. K.; Desiraju, Gautam R.","Dianiline-Diphenol Molecular Complexes Based on Supraminol Recognition","Crystal Growth & Design","2005","5","1","99","","10.1021/cg049967v","","","0.71073","MoKα","","0.1215","0.0571","","","0.1162","0.1397","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505073","5.2528","0.0001","42.3571","0.0006","9.4214","0.0001","90","","94.801","0.001","90","","2088.84","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-(4-hydroxybenzyl)phenol).(4-(4-aminophenylsulfanyl)aniline)","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Vangala, Venu R.; Mondal, Raju; Broder, Charlotte K.; Howard, Judith A. K.; Desiraju, Gautam R.","Dianiline-Diphenol Molecular Complexes Based on Supraminol Recognition","Crystal Growth & Design","2005","5","1","99","","10.1021/cg049967v","","","0.71073","MoKα","","0.0455","0.0368","","","0.0923","0.0974","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505074","9.909","0.0004","10.27","0.0004","22.01","0.0008","90","","90","","90","","2239.86","0.15","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-(4-aminophenylsulfanyl)aniline).(4-(4-hydroxyphenylsulfanyl)phenol)","","- C24 H22 N2 O2 S2 -","- C24 H22 N2 O2 S2 -","- C96 H88 N8 O8 S8 -","4","1","","Vangala, Venu R.; Mondal, Raju; Broder, Charlotte K.; Howard, Judith A. K.; Desiraju, Gautam R.","Dianiline-Diphenol Molecular Complexes Based on Supraminol Recognition","Crystal Growth & Design","2005","5","1","99","","10.1021/cg049967v","","","0.71073","MoKα","","0.0428","0.0369","","","0.0936","0.0965","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505075","14.268","0.0005","12.7763","0.0006","11.8165","0.0001","90","","101.347","0.002","90","","2111.95","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cu N3 O5 -","- C24 H16 Cu N3 O5 -","- C96 H64 Cu4 N12 O20 -","4","0.5","","Chen, Shu-Mei; Lu, Can-Zhong; Xia, Chang-Kun; Xu, Xin-Jiang; Zhai, Quan-Guo","Reactivity of 1,4-Bis[2-(5-phenyloxazoly)]benzene toward Cu Salts under Different Reaction Conditions","Crystal Growth & Design","2005","5","4","1485","","10.1021/cg050003t","","","0.71073","MoKα","","","0.0496","","","0.1266","0.1401","","","","","","1.048","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505076","3.7498","0.0001","11.5531","0.0005","11.6843","0.0005","89.189","0.005","80.976","0.005","86.25","0.006","498.85","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl Cu N O -","- C12 H8 Cl Cu N O -","- C24 H16 Cl2 Cu2 N2 O2 -","2","1","","Chen, Shu-Mei; Lu, Can-Zhong; Xia, Chang-Kun; Xu, Xin-Jiang; Zhai, Quan-Guo","Reactivity of 1,4-Bis[2-(5-phenyloxazoly)]benzene toward Cu Salts under Different Reaction Conditions","Crystal Growth & Design","2005","5","4","1485","","10.1021/cg050003t","","","0.71073","MoKα","","","0.023","","","0.0584","0.0604","","","","","","1.018","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505077","8.3035","0.0002","11.382","","14.0112","0.0001","69.943","0.005","86.895","0.006","74.063","0.005","1194.91","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Cu2 N4 O12 -","- C56 H44 Cu2 N4 O12 -","- C56 H44 Cu2 N4 O12 -","1","0.5","","Chen, Shu-Mei; Lu, Can-Zhong; Xia, Chang-Kun; Xu, Xin-Jiang; Zhai, Quan-Guo","Reactivity of 1,4-Bis[2-(5-phenyloxazoly)]benzene toward Cu Salts under Different Reaction Conditions","Crystal Growth & Design","2005","5","4","1485","","10.1021/cg050003t","","","0.71073","MoKα","","","0.0339","","","0.0865","0.0898","","","","","","1.029","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505078","9.5749","0.0004","10.4852","0.0003","10.83","0.0005","113.688","0.002","94.916","0.002","110.594","0.002","898.77","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cu3 N2 O14 -","- C36 H34 Cu3 N2 O14 -","- C36 H34 Cu3 N2 O14 -","1","0.5","","Chen, Shu-Mei; Lu, Can-Zhong; Xia, Chang-Kun; Xu, Xin-Jiang; Zhai, Quan-Guo","Reactivity of 1,4-Bis[2-(5-phenyloxazoly)]benzene toward Cu Salts under Different Reaction Conditions","Crystal Growth & Design","2005","5","4","1485","","10.1021/cg050003t","","","0.71073","MoKα","","","0.0808","","","0.1699","0.1949","","","","","","1.115","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505079","9.427","0.002","12.546","0.003","22.514","0.005","99.53","0.03","100.79","0.03","99.37","0.03","2527.4","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H58 Mn Mo6 O31 S40 -","- C60 H58 Mn Mo6 O31 S40 -","- C60 H58 Mn Mo6 O31 S40 -","1","0.5","","Liu, Cai-Ming; Huang, Yong-Hong; Zhang, De-Qing; Gao, Song; Jiang, Feng-Chi; Zhang, Jian-Ying; Zhu, Dao-Ben","Bis(ethylenedithio)tetrathiafulvalene Radical Salts with Anderson Type Heteropolymolybdates Containing Tris(alkoxo) Ligands","Crystal Growth & Design","2005","5","4","1531","","10.1021/cg050004l","","","0.71073","MoKα","","0.1375","0.0487","","","0.1067","0.1488","","","","","","0.675","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505080","9.358","0.002","12.783","0.003","22.492","0.004","99.36","0.03","100.82","0.03","101.07","0.03","2537.9","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H50 Mn Mo6 N2 O24 S40 -","- C66 H50 Mn Mo6 N2 O24 S40 -","- C66 H50 Mn Mo6 N2 O24 S40 -","1","0.5","","Liu, Cai-Ming; Huang, Yong-Hong; Zhang, De-Qing; Gao, Song; Jiang, Feng-Chi; Zhang, Jian-Ying; Zhu, Dao-Ben","Bis(ethylenedithio)tetrathiafulvalene Radical Salts with Anderson Type Heteropolymolybdates Containing Tris(alkoxo) Ligands","Crystal Growth & Design","2005","5","4","1531","","10.1021/cg050004l","","","0.71073","MoKα","","0.19","0.0657","","","0.1463","0.1985","","","","","","0.727","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505081","9.0712","0.0018","15.977","0.003","21.698","0.004","70.01","0.03","84.35","0.03","88.29","0.03","2940.9","1.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H64 Cl4 Mn Mo6 N2 O24 S48 -","- C70 H64 Cl4 Mn Mo6 N2 O24 S48 -","- C70 H64 Cl4 Mn Mo6 N2 O24 S48 -","1","0.5","","Liu, Cai-Ming; Huang, Yong-Hong; Zhang, De-Qing; Gao, Song; Jiang, Feng-Chi; Zhang, Jian-Ying; Zhu, Dao-Ben","Bis(ethylenedithio)tetrathiafulvalene Radical Salts with Anderson Type Heteropolymolybdates Containing Tris(alkoxo) Ligands","Crystal Growth & Design","2005","5","4","1531","","10.1021/cg050004l","","","0.71073","MoKα","","0.2251","0.0977","","","0.1562","0.2056","","","","","","0.975","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505082","8.4833","0.0014","12.478","0.002","8.5116","0.0014","90","","110.844","0.003","90","","842","0.2","383","2","383","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N O6 P -","- C6 H8 N O6 P -","- C24 H32 N4 O24 P4 -","4","1","","Kong, Deyuan; Clearfield, Abraham","Supramolecular Hydrogen-Bonded Frameworks from 6-Phosphonopyridine-2-carboxylic Acid and Transition Metal Ions","Crystal Growth & Design","2005","5","3","1263","","10.1021/cg050015e","","","0.71073","MoKα","","0.055","0.0496","","","0.1272","0.1351","","","","","","1.098","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505083","19.9519","0.0018","7.2218","0.0006","25.516","0.002","90","","90","","90","","3676.6","0.5","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H25 N Ni1.5 O16 P -","- C6 H25 N Ni1.5 O16 P -","- C48 H200 N8 Ni12 O128 P8 -","8","1","","Kong, Deyuan; Clearfield, Abraham","Supramolecular Hydrogen-Bonded Frameworks from 6-Phosphonopyridine-2-carboxylic Acid and Transition Metal Ions","Crystal Growth & Design","2005","5","3","1263","","10.1021/cg050015e","","","0.71073","MoKα","","0.0665","0.0611","","","0.1499","0.1591","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505084","8.1235","0.0005","14.9124","0.001","15.5084","0.001","90","","100.571","0.001","90","","1846.8","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cu N2 O13 P2 -","- C12 H16 Cu N2 O13 P2 -","- C48 H64 Cu4 N8 O52 P8 -","4","1","","Kong, Deyuan; Clearfield, Abraham","Supramolecular Hydrogen-Bonded Frameworks from 6-Phosphonopyridine-2-carboxylic Acid and Transition Metal Ions","Crystal Growth & Design","2005","5","3","1263","","10.1021/cg050015e","","","0.71073","MoKα","","0.0451","0.0414","","","0.1057","0.1096","","","","","","1.122","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505085","7.292","0.004","8.255","0.004","10.055","0.005","97.329","0.008","90.552","0.008","100.293","0.009","590.3","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Co N O9 P -","- C6 H12 Co N O9 P -","- C12 H24 Co2 N2 O18 P2 -","2","1","","Kong, Deyuan; Clearfield, Abraham","Supramolecular Hydrogen-Bonded Frameworks from 6-Phosphonopyridine-2-carboxylic Acid and Transition Metal Ions","Crystal Growth & Design","2005","5","3","1263","","10.1021/cg050015e","","","0.71073","MoKα","","0.0829","0.0541","","","0.1189","0.1467","","","","","","1.112","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505086","10.5915","0.0016","10.2446","0.0016","7.5003","0.0011","90","","130.732","0.01","90","","616.69","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K Lu O8 W2 -","- K Lu O8 W2 -","- K4 Lu4 O32 W8 -","4","0.5","","Wang, Kunpeng; Zhang, Jianxiu; Wang, Jiyang; Yu, Wentao; Zhang, Huaijin; Wang, Zhengping; Wang, Xuping; Ba, Mingfang","Predicted and Real Habits of Flux Grown Potassium Lutetium Tungstate Single Crystals","Crystal Growth & Design","2005","5","4","1555","","10.1021/cg050019j","","","0.71073","MoKα","","0.0684","0.067","","","0.1622","0.1644","","","","","","1.053","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505087","5.4329","0.0014","17.829","0.005","11.82","0.003","90","","94.361","0.005","90","","1141.6","0.5","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Hydrazinium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate","","- C9 H16 N2 O6 -","- C9 H16 N2 O6 -","- C36 H64 N8 O24 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.059","0.0414","","","0.0828","0.0896","","","","","","1.003","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505088","9.2006","0.0014","4.9116","0.0008","21.385","0.003","90","","96.835","0.005","90","","959.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate","","- C9 H11 Na O6 -","- C9 H11 Na O6 -","- C36 H44 Na4 O24 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.0826","0.0421","","","0.0846","0.0946","","","","","","0.936","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505089","7.6682","0.0009","8.4743","0.001","9.5164","0.0012","91.741","0.002","94.436","0.002","97.239","0.002","611.13","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethylammonium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C22 H38 N2 O12 -","2","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.0444","0.0408","","","0.0987","0.1008","","","","","","1.095","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505090","5.8655","0.0012","17.805","0.004","11.408","0.002","90","","93.7","0.03","90","","1188.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methylammonium cyclohexane-1-carboxylate-3cis,5-cis-dicarboxylic acid","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C40 H68 N4 O24 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.1551","0.0626","","","0.1087","0.1439","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505091","5.0737","0.0014","18.203","0.005","11.742","0.003","90","","93.275","0.004","90","","1082.7","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Hydroxylammonium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C36 H60 N4 O28 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.0326","0.0313","","","0.0708","0.0717","","","","","","1.058","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505092","4.7608","0.0011","19.703","0.005","11.502","0.003","90","","90.551","0.004","90","","1078.9","0.5","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ammonium cyclohexane-1-carboxylate-3cis,5cis-dicarboxylic acid","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C36 H60 N4 O24 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.0314","0.0309","","","0.0824","0.0828","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505093","10.3098","0.0019","15.608","0.003","14.243","0.003","90","","101.618","0.003","90","","2245","0.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N3 O9 P3 -","- C21 H21 N3 O9 P3 -","- C84 H84 N12 O36 P12 -","4","1","","Kong, Deyuan; Clearfield, Abraham; Zoń, Jerzy","Crystal-Engineered Three-Dimensional Hydrogen-Bonding Networks Built with 1,3,5-Benzenetri(phosphonic acid) and Bipyridine Synthons","Crystal Growth & Design","2005","5","5","1767","","10.1021/cg050033w","","","0.71073","MoKα","","0.0422","0.0416","","","0.0999","0.1002","","","","","","1.236","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505094","7.2494","0.0018","12.317","0.003","12.528","0.003","84.392","0.004","77.085","0.004","85.179","0.004","1082.9","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 N2 O12 P3 -","- C16 H23 N2 O12 P3 -","- C32 H46 N4 O24 P6 -","2","1","","Kong, Deyuan; Clearfield, Abraham; Zoń, Jerzy","Crystal-Engineered Three-Dimensional Hydrogen-Bonding Networks Built with 1,3,5-Benzenetri(phosphonic acid) and Bipyridine Synthons","Crystal Growth & Design","2005","5","5","1767","","10.1021/cg050033w","","","0.71073","MoKα","","0.0783","0.0674","","","0.1696","0.1845","","","","","","1.132","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505095","14.268","0.004","5.0065","0.0012","15.557","0.004","90","","90","","90","","1111.3","0.5","298","2","298","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C7 H8 Ag Cl N4 O4 -","- C7 H8 Ag Cl N4 O4 -","- C28 H32 Ag4 Cl4 N16 O16 -","4","0.5","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0503","0.0357","","","0.0798","0.0866","","","","","","1.07","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505096","12.1263","0.0016","12.1263","0.0016","17.632","0.005","90","","90","","90","","2592.7","0.9","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","{[cu2(l)4(h2o)4].cl4.(h2o)5.(aceton)}n","","","- C31 H56 Cl4 Cu2 N16 O10 -","- C31 H34.04 Cl4 Cu2 N16 O10 -","- C62 H68.08 Cl8 Cu4 N32 O20 -","2","0.125","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.1089","0.0586","","","0.1625","0.191","","","","","","1.052","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505097","9","0.002","9.14","0.002","12.421","0.002","90","","91.048","0.003","90","","1021.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 B2 Cu F8 N8 O0 -","- C14 H16 B2 Cu F8 N8 -","- C28 H32 B4 Cu2 F16 N16 -","2","0.5","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.06","0.0436","","","0.1134","0.1261","","","","","","1.02","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505098","9.131","0.003","9.253","0.003","12.435","0.004","90","","92.58","0.005","90","","1049.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 Cu N8 O8 -","- C14 H16 Cl2 Cu N8 O8 -","- C28 H32 Cl4 Cu2 N16 O16 -","2","0.5","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0655","0.047","","","0.1139","0.1244","","","","","","1.026","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505099","12.348","0.005","12.115","0.005","18.837","0.008","90","","100.775","0.006","90","","2768","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 Cl2 K0 N12 O8 S0 Zn -","- C21 H24 Cl2 N12 O8 Zn -","- C84 H96 Cl8 N48 O32 Zn4 -","4","0.5","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0847","0.059","","","0.1432","0.1581","","","","","","1.086","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505100","12.632","0.005","12.136","0.005","18.968","0.008","90","","99.78","0.006","90","","2866","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 Cd Cl2 K0 N12 O8 S0 -","- C21 H24 Cd Cl2 N12 O8 -","- C84 H96 Cd4 Cl8 N48 O32 -","4","0.5","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0559","0.0445","","","0.119","0.129","","","","","","1.047","","","","has coordinates,has disorder","179586","2020-10-21","18:00:00",""
"4505101","16.347","0.006","9.346","0.003","7.156","0.002","90","","111.551","0.004","90","","1016.9","0.6","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H16 Cd N14 O0 -","- C14 H16 Cd N14 -","- C28 H32 Cd2 N28 -","2","0.25","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0248","0.0246","","","0.0618","0.0619","","","","","","1.119","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505102","15.9751","0.001","15.9751","0.001","21.701","0.003","90","","90","","90","","5538.2","0.9","298","2","298","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H28 Cl2 N8 O8 Zn -","- C20 H28 Cl2 N8 O8 Zn -","- C160 H224 Cl16 N64 O64 Zn8 -","8","0.25","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0944","0.0797","","","0.2407","0.2593","","","","","","1.133","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505103","12.1263","0.0016","12.1263","0.0016","17.632","0.005","90","","90","","90","","2592.7","0.9","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C17 H27 Cl2 Cu N8 O3.5 -","- C17 H20 Cl2 Cu N8 O3.5 -","- C68 H80 Cl8 Cu4 N32 O14 -","4","0.25","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.1111","0.0597","","","0.1448","0.1727","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505104","36.81","0.03","10.419","0.009","11.955","0.01","90","","90","","90","","4585","7","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C46 H32.5 N6 O8.25 Zn2 -","- C46 H32 N6 O8.25 Zn2 -","- C184 H128 N24 O33 Zn8 -","4","1","","Dai, Yu-Mei; Ma, En; Tang, En; Zhang, Jian; Li, Zhao-Ji; Huang, Xu-Dong; Yao, Yuan-Gen","Paratactic Assembly of Two Distinct Units into a Unique 3D Architecture","Crystal Growth & Design","2005","5","4","1313","","10.1021/cg0500425","","","0.71073","MoKα","","","0.049","","","0.1074","0.1575","","","","","","0.959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505105","34.238","0.013","12.321","0.005","15.762","0.006","90","","90","","90","","6649","4","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C39 H32 N4 O4 -","- C39 H32 N4 O4 -","- C312 H256 N32 O32 -","8","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Tetraphenol and Its Complexes with Aromatic Diamines: Novel Interpenetrating and Noninterpenetrating Organic Assemblies","Crystal Growth & Design","2005","5","4","1575","","10.1021/cg050050l","","","0.71073","MoKα","","0.0896","0.0566","","","0.1165","0.1288","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505106","9.331","0.0012","10.9334","0.0014","20.492","0.003","96.124","0.003","100.397","0.003","110.341","0.003","1895.2","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H44 N4 O6 -","- C43 H44 N4 O6 -","- C86 H88 N8 O12 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Tetraphenol and Its Complexes with Aromatic Diamines: Novel Interpenetrating and Noninterpenetrating Organic Assemblies","Crystal Growth & Design","2005","5","4","1575","","10.1021/cg050050l","","","0.71073","MoKα","","0.0745","0.0601","","","0.1591","0.1704","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505107","17.86","0.06","7.62","0.03","22.85","0.08","90","","104.25","0.1","90","","3014","19","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 N3 O4 -","- C37 H31 N3 O4 -","- C148 H124 N12 O16 -","4","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Tetraphenol and Its Complexes with Aromatic Diamines: Novel Interpenetrating and Noninterpenetrating Organic Assemblies","Crystal Growth & Design","2005","5","4","1575","","10.1021/cg050050l","","","0.71073","MoKα","","0.0977","0.0649","","","0.1445","0.1601","","","","","","1.031","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505108","10.0382","0.0014","14.5786","0.0018","10.1183","0.0014","90","","101.79","0.003","90","","1449.5","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Tetraphenol and Its Complexes with Aromatic Diamines: Novel Interpenetrating and Noninterpenetrating Organic Assemblies","Crystal Growth & Design","2005","5","4","1575","","10.1021/cg050050l","","","0.71073","MoKα","","0.058","0.046","","","0.1127","0.1198","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505109","5.2784","0.0014","6.7945","0.0017","10.313","0.003","70.89","0.03","87.74","0.03","70.57","0.03","328.58","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","TTF(CH2OH)4","tetrakis(hydroxylmethyl)tetrathiafulvalene","","- C10 H12 O4 S4 -","- C10 H12 O4 S4 -","- C10 H12 O4 S4 -","1","0.5","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0369","0.0235","","","0.0481","0.0512","","","","","","0.934","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505110","8.8407","0.0008","13.6353","0.0013","14.5467","0.0015","79.118","0.012","82.433","0.012","88.411","0.011","1707","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","TTF(CH2OH)4, Re6S5Cl9, 0.5CH3CN","[TTF(CH2OH)4][Re6S5Cl9](CH3CN)0.5","","- C11 H13.5 Cl9 N0.5 O4 Re6 S9 -","- C11 H12 Cl9 N0.5 O4 Re6 S9 -","- C22 H24 Cl18 N O8 Re12 S18 -","2","1","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0687","0.0374","","","0.0838","0.0926","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505111","9.6045","0.0011","11.7209","0.0013","12.0618","0.0013","62.929","0.012","69.909","0.013","84.735","0.013","1132.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","2 TTF(CH2OH)4, Re6S6Cl8","[TTF(CH2OH)4]2[Re6S6Cl8]","","- C20 H24 Cl8 O8 Re6 S14 -","- C20 H12 Cl8 O8 Re6 S14 -","- C20 H12 Cl8 O8 Re6 S14 -","1","0.5","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0615","0.044","","","0.1003","0.1063","","","","","","1.076","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505112","9.4212","0.0011","12.0528","0.0014","12.1076","0.0016","62.475","0.013","70.948","0.014","84.463","0.014","1150","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","2 TTF(CH2OH)4, Mo6Cl14","[TTF(CH2OH)4]2[Mo6Cl14]","","- C20 H24 Cl14 Mo6 O8 S8 -","- C20 H20 Cl14 Mo6 O8 S8 -","- C20 H20 Cl14 Mo6 O8 S8 -","1","0.5","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0339","0.0271","","","0.0724","0.0743","","","","","","1.04","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505113","12.045","0.002","12.427","0.003","25.76","0.005","91.86","0.03","100","0.03","108.54","0.03","3584.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","4(TTF(CH2OH)4), Re6S7Cl7, Cl","[TTF(CH2OH)4]4[Re6S7Cl7]Cl","","- C40 H48 Cl8 O16 Re6 S23 -","- C40 H43 Cl8.04 O16 Re6 S23.04 -","- C80 H86 Cl16.08 O32 Re12 S46.08 -","2","1","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0942","0.0397","","","0.0772","0.0917","","","","","","1","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505114","16.393","0.002","16.393","0.002","26.063","0.005","90","","90","","90","","7003.9","1.8","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","(TTF(CH2OH)4)4, Re6S8Cl6","[TTF(CH2OH)4]4[Re6S8Cl6]","","- C40 H48 Cl6 O16 Re6 S24 -","- C40 H48 Cl6 O16 Re6 S24 -","- C160 H192 Cl24 O64 Re24 S96 -","4","0.25","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0502","0.0245","","","0.044","0.0485","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505115","35.8","0.004","35.8","0.004","35.8","0.004","90","","90","","90","","45883","9","173","2","173","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","silver tris(2-pyridylmethyl)cyclotriguaiacylene hexafluorophosphine","","","- C42 H39 Ag1.5 F9 N3 O6 P1.5 -","- C42 H39 Ag1.5 F9.03 N3 O6 P1.5 -","- C1344 H1248 Ag48 F288.96 N96 O192 P48 -","32","0.333333","","Sumby, Christopher J.; Hardie, Michaele J.","Disentangling Disorder in the Three-Dimensional Coordination Network of {Ag3[Tris(2-pyridylmethyl)cyclotriguaiacylene]2}(PF6)3","Crystal Growth & Design","2005","5","4","1321","","10.1021/cg050061e","","","0.71073","MoKα","","0.2193","0.1574","","","0.3641","0.4178","","","","","","2.748","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505116","17.699","0.003","18.111","0.003","18.844","0.003","111.183","0.002","93.828","0.001","102.13","0.002","5438.6","1.6","93.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C320 H240 N16 -","8","4","","Kawai, Hidetoshi; Takeda, Takashi; Fujiwara, Kenshu; Inabe, Tamotsu; Suzuki, Takanori","Exceptionally Large Difference in Bond Length among Conformational Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene Skeleton†","Crystal Growth & Design","2005","5","6","2256","","10.1021/cg050064r","","","0.7107","MoKα","","","0.052","","","","0.12","","","","","","0.721","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505117","17.719","0.002","18.116","0.002","18.852","0.003","111.27","0.002","93.8","0.002","102.006","0.002","5448.8","1.2","123.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C320 H240 N16 -","8","4","","Kawai, Hidetoshi; Takeda, Takashi; Fujiwara, Kenshu; Inabe, Tamotsu; Suzuki, Takanori","Exceptionally Large Difference in Bond Length among Conformational Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene Skeleton†","Crystal Growth & Design","2005","5","6","2256","","10.1021/cg050064r","","","0.7107","MoKα","","","0.059","","","","0.125","","","","","","0.576","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505118","17.752","0.004","18.146","0.005","18.871","0.005","111.246","0.005","93.85","0.004","101.827","0.002","5478","2","160.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C320 H240 N16 -","8","4","","Kawai, Hidetoshi; Takeda, Takashi; Fujiwara, Kenshu; Inabe, Tamotsu; Suzuki, Takanori","Exceptionally Large Difference in Bond Length among Conformational Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene Skeleton†","Crystal Growth & Design","2005","5","6","2256","","10.1021/cg050064r","","","0.7107","MoKα","","","0.056","","","","0.127","","","","","","0.587","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505119","17.767","0.004","18.158","0.005","18.879","0.005","111.22","0.005","93.872","0.004","101.834","0.002","5490","2","180.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C320 H240 N16 -","8","4","","Kawai, Hidetoshi; Takeda, Takashi; Fujiwara, Kenshu; Inabe, Tamotsu; Suzuki, Takanori","Exceptionally Large Difference in Bond Length among Conformational Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene Skeleton†","Crystal Growth & Design","2005","5","6","2256","","10.1021/cg050064r","","","0.7107","MoKα","","","0.058","","","","0.132","","","","","","0.588","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505120","17.814","0.005","18.219","0.006","18.881","0.006","111.085","0.005","94.033","0.005","102.044","0.003","5520","3","233.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C320 H240 N16 -","8","4","","Kawai, Hidetoshi; Takeda, Takashi; Fujiwara, Kenshu; Inabe, Tamotsu; Suzuki, Takanori","Exceptionally Large Difference in Bond Length among Conformational Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene Skeleton†","Crystal Growth & Design","2005","5","6","2256","","10.1021/cg050064r","","","0.7107","MoKα","","","0.071","","","","0.163","","","","","","0.569","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505121","9.438","0.002","17.227","0.004","17.804","0.004","74.978","0.009","85.936","0.013","80.331","0.012","2754.9","1.1","233.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C160 H120 N8 -","4","2","","Kawai, Hidetoshi; Takeda, Takashi; Fujiwara, Kenshu; Inabe, Tamotsu; Suzuki, Takanori","Exceptionally Large Difference in Bond Length among Conformational Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene Skeleton†","Crystal Growth & Design","2005","5","6","2256","","10.1021/cg050064r","","","0.7107","MoKα","","","0.067","","","","0.141","","","","","","0.732","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505122","5.7997","0.0018","15.664","0.005","7.911","0.002","90","","109.729","0.002","90","","676.5","0.3","130.15","","130.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 Mn O8 P -","- C2 H7 Mn O8 P -","- C8 H28 Mn4 O32 P4 -","4","1","","Fu, Ruibiao; Xiang, Shengchang; Zhang, Huishuang; Zhang, Jianjun; Wu, Xintao","Syntheses, Characterization, and Magnetic Properties of Four New Layered Transition-Metal Hydroxyl−Carboxylate−Phosphonates: [M(CH(OH)(CO2)(PO3H))(H2O)2] (M = Mn, Fe, Co, Zn)","Crystal Growth & Design","2005","5","5","1795","","10.1021/cg050065j","","","0.71073","MoKα","","0.0197","0.0188","","","0.0486","0.0492","","","","","","1.117","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505123","5.731","0.002","15.504","0.006","7.861","0.003","90","","109.287","0.004","90","","659.3","0.4","130.15","","130.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 Fe O8 P -","- C2 H7 Fe O8 P -","- C8 H28 Fe4 O32 P4 -","4","1","","Fu, Ruibiao; Xiang, Shengchang; Zhang, Huishuang; Zhang, Jianjun; Wu, Xintao","Syntheses, Characterization, and Magnetic Properties of Four New Layered Transition-Metal Hydroxyl−Carboxylate−Phosphonates: [M(CH(OH)(CO2)(PO3H))(H2O)2] (M = Mn, Fe, Co, Zn)","Crystal Growth & Design","2005","5","5","1795","","10.1021/cg050065j","","","0.71073","MoKα","","0.0268","0.0245","","","0.0601","0.0612","","","","","","1.145","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505124","5.678","0.002","15.469","0.006","7.846","0.003","90","","109.522","0.003","90","","649.5","0.4","130.15","","130.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 Co O8 P -","- C2 H7 Co O8 P -","- C8 H28 Co4 O32 P4 -","4","1","","Fu, Ruibiao; Xiang, Shengchang; Zhang, Huishuang; Zhang, Jianjun; Wu, Xintao","Syntheses, Characterization, and Magnetic Properties of Four New Layered Transition-Metal Hydroxyl−Carboxylate−Phosphonates: [M(CH(OH)(CO2)(PO3H))(H2O)2] (M = Mn, Fe, Co, Zn)","Crystal Growth & Design","2005","5","5","1795","","10.1021/cg050065j","","","0.71073","MoKα","","0.0223","0.0201","","","0.0478","0.0487","","","","","","1.082","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505125","5.72","0.0007","15.5327","0.0017","7.8528","0.0009","90","","110.332","0.003","90","","654.23","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 O8 P Zn -","- C2 H7 O8 P Zn -","- C8 H28 O32 P4 Zn4 -","4","1","","Fu, Ruibiao; Xiang, Shengchang; Zhang, Huishuang; Zhang, Jianjun; Wu, Xintao","Syntheses, Characterization, and Magnetic Properties of Four New Layered Transition-Metal Hydroxyl−Carboxylate−Phosphonates: [M(CH(OH)(CO2)(PO3H))(H2O)2] (M = Mn, Fe, Co, Zn)","Crystal Growth & Design","2005","5","5","1795","","10.1021/cg050065j","","","0.71073","MoKα","","","0.0794","","","0.198","0.2213","","","","","","1.078","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505126","29.2257","0.0019","6.6092","0.0004","29.855","0.0019","90","","108.838","0.001","90","","5457.9","0.6","293","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-nitroaniline (S)-10-camphorsulfonic acid. 0.5 water","","- C96 H138 N12 O39 S6 -","- C96 H138 N12 O39 S6 -","- C192 H276 N24 O78 S12 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Remote Functionalized Nonlinear Optical Chromophore: Optimal Assembly in Crystals for Second Harmonic Generation","Crystal Growth & Design","2005","5","5","1831","","10.1021/cg050066b","","","0.71073","MoKα","","0.0763","0.0507","","","0.1132","0.1257","","","","","","1.007","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505127","8.3786","0.0012","7.5384","0.0014","16.4319","0.0019","90","","101.385","0.01","90","","1017.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2-aminoethyl)-4-nitroaniline (S)-10-camphorsulfonic acid","","- C18 H27 N3 O6 S -","- C18 H27 N3 O6 S -","- C36 H54 N6 O12 S2 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Remote Functionalized Nonlinear Optical Chromophore: Optimal Assembly in Crystals for Second Harmonic Generation","Crystal Growth & Design","2005","5","5","1831","","10.1021/cg050066b","","","0.71073","MoKα","","0.0792","0.0487","","","0.1132","0.1431","","","","","","1.12","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505128","7.8179","0.0016","9.4709","0.0019","15.568","0.003","90","","91.16","0.03","90","","1152.5","0.4","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis(2-amino-4-hydroxypteridinate)ethylenediaminenickel(II)","","- C7 H13 N6 Ni0.5 O3.5 -","- C7 H13 N6 Ni0.5 O3.5 -","- C28 H52 N24 Ni2 O14 -","4","1","","Crispini, Alessandra; Pucci, Daniela; Bellusci, Anna; Barberio, Giovanna; La Deda, Massimo; Cataldi, Antonella; Ghedini, Mauro","Hydrogen-Bonding Network in Metal−Pterin Complexes: Synthesis and Characterization of Water-Soluble Octahedral Nickel and Cadmium Pterine Derivatives","Crystal Growth & Design","2005","5","4","1597","","10.1021/cg050075k","","","0.71073","MoKα","","0.0862","0.065","","","0.1828","0.1949","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505129","8.1675","0.0017","21.554","0.005","11.11","0.002","90","","93.822","0.003","90","","1951.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Cd N2 O9 P -","- C15 H21 Cd N2 O9 P -","- C60 H84 Cd4 N8 O36 P4 -","4","1","","Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun","Extended Water Tapes of Cyclic Hexamers Encapsulated in the Channels of a Metal Phosphonocarboxylate Network","Crystal Growth & Design","2005","5","4","1335","","10.1021/cg0500829","","","0.71073","MoKα","","0.0568","0.0356","","","0.0637","0.0703","","","","","","0.855","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505130","11.5319","0.0003","24.2933","0.0005","7.4351","0.0001","90","","95.1658","0.0008","90","","2074.47","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Mn N8 O2 -","- C20 H12 Mn N8 O2 -","- C80 H48 Mn4 N32 O8 -","4","1","","Sun, Hao-Ling; Ma, Bao-Qing; Gao, Song; Batten, Stuart R.","A Novel Three-Dimensional Network Containing Mn(II) Ions and Tricyanomethanide with Rare 46.64Topology","Crystal Growth & Design","2005","5","4","1331","","10.1021/cg0500831","","","0.71073","MoKα","","0.0758","0.0335","","","0.0656","0.071","","","","","","0.923","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505131","13.3658","0.0002","19.5386","0.0003","24.7121","0.0004","85.67","","84.58","","88.38","","6404.9","0.17","90","1","90","1","","","","","","","","4","P -1","-P 1","2","[Zn(II)TPP]2Prz*C60","bis-(tetraphenylporphirinate Zn(II))pyrazine fullerene molecular complex","","- C190.5 H98.02 N10.66 Zn2 -","- C190.5 H98.02 N10.66 Zn2 -","- C381 H196.04 N21.32 Zn4 -","2","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.0774","0.0624","","","0.1724","0.1827","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505132","13.231","0.0013","49.036","0.005","23.027","0.002","90","","92.042","0.004","90","","14930","2","90","1","90","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[(ZnTPP)2BPy]C60-C7H8","","","- C246 H96 N10 Zn2 -","- C246 H96 N10 Zn2 -","- C984 H384 N40 Zn8 -","4","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.226","0.1112","","","0.2706","0.3349","","","","","","0.902","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505133","16.6488","0.001","19.0749","0.0011","21.5917","0.0013","90.344","0.002","105.864","0.002","96.447","0.002","6549.3","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","[60]fullerene ZnTPP TPyP clathrate","[60]fullerene zinc tetraphenylporphyrinate tetra(4-pyridyl)porphyrine clathrate","","- C180.25 H77.75 N13.75 Zn2 -","- C180.25 H77.75 N13.75 Zn2 -","- C360.5 H155.5 N27.5 Zn4 -","2","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.2379","0.0842","","0.2666","0.1959","","","","0.868","1.251","1.251","","","","","has coordinates,has disorder","179586","2020-10-21","18:00:00",""
"4505134","32.4381","0.0014","26.4829","0.0011","35.0797","0.0016","90","","115.202","0.001","90","","27267","2","90","1","90","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[ZnTPP(THF)]2x[C60]6.4xC6H5Cl","","","- C486 H76 Cl2 N8 O2 Zn2 -","- C486 H76 Cl N8 O2 Zn2 -","- C1944 H304 Cl4 N32 O8 Zn8 -","4","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.2902","0.2173","","","0.5341","0.5675","","","","","","4.108","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505135","15.0589","0.0004","19.1974","0.0005","24.4592","0.0006","90","","90","","90","","7071","0.3","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[ZnTPP(TMDAE)]xC60x(C6H6)0.7x(C6H5Cl)0.3","","","- C116 H49.7 Cl0.3 N6 Zn -","- C116 H49.7 Cl0.3 N6 Zn -","- C464 H198.8 Cl1.2 N24 Zn4 -","4","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.0622","0.0454","","","0.1113","0.1259","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505136","17.7901","0.0013","13.4236","0.001","40.358","0.003","90","","99.313","0.001","90","","9510.7","1.2","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(ZnTPP)2BPy]-C6H5CN","","","- C126 H84 N14 Zn2 -","- C126 H84 N14 Zn2 -","- C504 H336 N56 Zn8 -","4","0.5","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.0703","0.0515","","","0.1025","0.1087","","","","","","1.079","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4505137","17.9296","0.0007","13.4047","0.0005","39.8176","0.0015","90","","99.769","0.001","90","","9431","0.6","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(CoTPP)2BPy]-C6H5CN","","","- C126 H84 Co2 N14 -","- C126 H84 Co2 N14 -","- C504 H336 Co8 N56 -","4","0.5","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.0512","0.0369","","","0.0929","0.0977","","","","","","1.043","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505138","11.3466","0.0006","11.3616","0.0006","21.5015","0.0011","82.539","0.002","89.719","0.002","73.093","0.002","2628","0.2","90","1","90","1","","","","","","","","4","P -1","-P 1","2","[(ZnTPP)2-BPE]-BPE-C6H5CN-C7H8","","","- C70 H47.5 N7.5 Zn -","- C70 H47.5 N7.5 Zn -","- C140 H95 N15 Zn2 -","2","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.1762","0.0821","","","0.1955","0.2353","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505139","8.3431","0.0009","21.468","0.003","10.2766","0.0012","90","","99.415","0.002","90","","1815.8","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Mo8 N4 O32 -","- C12 H32 Mo8 N4 O32 -","- C24 H64 Mo16 N8 O64 -","2","0.5","","Upreti, Shailesh; Ramanan, Arunachalam","Structure-Directing Role of Hydrogen-Bonded Dimers of Phenylenediammonium Cations: Supramolecular Assemblies of Octamolybdate-Based Organic−Inorganic Hybrids","Crystal Growth & Design","2005","5","5","1837","","10.1021/cg050100m","","","0.71073","MoKα","","0.039","0.0313","","","0.0657","0.0686","","","","","","1.086","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505140","10.8142","0.0013","14.1329","0.0017","11.1412","0.0014","90","","97.63","0.002","90","","1687.7","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Mo8 N4 O30 -","- C12 H28 Mo8 N4 O30 -","- C24 H56 Mo16 N8 O60 -","2","0.5","","Upreti, Shailesh; Ramanan, Arunachalam","Structure-Directing Role of Hydrogen-Bonded Dimers of Phenylenediammonium Cations: Supramolecular Assemblies of Octamolybdate-Based Organic−Inorganic Hybrids","Crystal Growth & Design","2005","5","5","1837","","10.1021/cg050100m","","","0.71073","MoKα","","0.0216","0.0205","","","0.0517","0.0522","","","","","","1.167","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505141","27.502","0.005","11.622","0.002","14.138","0.002","90","","109.442","0.003","90","","4261.2","1.2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Mo8 N8 O28 -","- C24 H36 Mo8 N8 O28 -","- C96 H144 Mo32 N32 O112 -","4","0.5","","Upreti, Shailesh; Ramanan, Arunachalam","Structure-Directing Role of Hydrogen-Bonded Dimers of Phenylenediammonium Cations: Supramolecular Assemblies of Octamolybdate-Based Organic−Inorganic Hybrids","Crystal Growth & Design","2005","5","5","1837","","10.1021/cg050100m","","","0.71073","MoKα","","0.0266","0.0251","","","0.0623","0.063","","","","","","1.162","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505142","9.0097","0.0008","9.7735","0.0005","10.8421","0.0002","60.379","0.014","67.235","0.016","70.25","0.018","752.38","0.15","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H40 Mn2 N10 S6 Sn2 -","- C10 H40 Mn2 N10 S6 Sn2 -","- C10 H40 Mn2 N10 S6 Sn2 -","1","0.5","","Gu, Xiao-Mei; Dai, Jie; Jia, Ding-Xian; Zhang, Yong; Zhu, Qin-Yu","Two-Step Solvothermal Preparation of a Coordination Polymer Containing a Transition Metal Complex Fragment and a Thiostannate Anion: [{Mn(en)2}2(μ-en)(μ-Sn2S6)]∞(en, Ethylenediamine)","Crystal Growth & Design","2005","5","5","1845","","10.1021/cg050109o","","","0.7107","MoKα","","0.0238","0.0218","","","0.0461","0.0468","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505143","8.1051","0.0007","17.6812","0.0014","8.5047","0.0007","90","","90.072","0.007","90","","1218.79","0.17","130.2","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co3 N6 O14 -","- C20 H22 Co3 N6 O14 -","- C40 H44 Co6 N12 O28 -","2","0.5","","Wang, Yu-Ling; Yuan, Da-Qiang; Bi, Wen-Hua; Li, Xing; Li, Xiao-Ju; Li, Feng; Cao, Rong","Syntheses and Characterizations of Two 3D Cobalt−Organic Frameworks from 2D Honeycomb Building Blocks","Crystal Growth & Design","2005","5","5","1849","","10.1021/cg0501128","","","0.71073","MoKα","","0.0705","0.0547","","","0.1016","0.1092","","","","","","1.058","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505144","11.4932","0.0002","11.6132","0.0001","11.8182","0.0001","65.275","0.008","81.174","0.012","72.752","0.01","1367.58","0.12","293","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 Co3 N11 O15 -","- C43 H30 Co3 N11 O15 -","- C43 H30 Co3 N11 O15 -","1","0.5","","Wang, Yu-Ling; Yuan, Da-Qiang; Bi, Wen-Hua; Li, Xing; Li, Xiao-Ju; Li, Feng; Cao, Rong","Syntheses and Characterizations of Two 3D Cobalt−Organic Frameworks from 2D Honeycomb Building Blocks","Crystal Growth & Design","2005","5","5","1849","","10.1021/cg0501128","","","0.71073","MoKα","","0.0943","0.0759","","","0.2146","0.2295","","","","","","1.097","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505145","6.436","0.002","15.863","0.005","20.213","0.007","90","","90","","90","","2063.6","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(1-hydroxymethyl-2-methylpropyl)-4-(1,2,3,4- tetrahydro-1,4-methanonaphthalene-9-carbonyl)-benzamide","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.1944","0.0706","","","0.1103","0.1485","","","","","","0.972","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505146","5.419","0.001","10.052","0.002","39.197","0.007","90","","90","","90","","2135.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-N-(1-cyclohexylethyl)-4-(1,2,3,4-tetrahydro-1,4- methanonaphthalene-9-carbonyl)benzamide","","- C27 H31 N O2 -","- C27 H31 N O2 -","- C108 H124 N4 O8 -","4","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.124","0.0764","","","0.1564","0.1765","","","","","","1.041","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505147","46.067","0.008","7.01","0.001","14.141","0.002","90","","107.076","0.003","90","","4365.2","1.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S)-N-(1-hydroxymethyl-2-phenylethyl)-4-(1,2,3,4-tetra hydro-1,4-methanonaphthalene-9-carbonyl)benzamide","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C224 H216 N8 O24 -","8","2","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.154","0.0597","","","0.0922","0.1185","","","","","","0.958","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505148","13.703","0.003","6.6574","0.0014","25.878","0.005","90","","93.116","0.004","90","","2357.3","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O3 -","- C29 H29 N O3 -","- C116 H116 N4 O12 -","4","2","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.1607","0.0809","","","0.167","0.2072","","","","","","0.97","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505149","8.8813","0.0008","12.9697","0.0011","10.3687","0.0009","90","","109.938","0.001","90","","1122.76","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(2-adamantan-1-ylacetyl)-N-((R)-1-phenylethyl)benzamide","","- C27 H31 N O2 -","- C27 H31 N O2 -","- C54 H62 N2 O4 -","2","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.0472","0.0446","","","0.1102","0.1121","","","","","","1.048","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505150","9.4834","0.0007","11.4733","0.0008","10.5049","0.0007","90","","101.892","0.001","90","","1118.46","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-4-(2-adamantan-1-ylacetyl)-N-(1-phenylpropyl) benzamide","","- C28 H33 N O2 -","- C28 H33 N O2 -","- C56 H66 N2 O4 -","2","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.0521","0.0416","","","0.0899","0.0951","","","","","","1.042","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505151","19.561","0.005","10.652","0.003","9.899","0.003","90","","99.531","0.005","90","","2034.1","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(adamantyl-1-yl-acetyl)-N-(1,2-dimethylpropyl) benzamide","","- C24 H33 N O2 -","- C24 H33 N O2 -","- C96 H132 N4 O8 -","4","2","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.2401","0.0734","","","0.1048","0.1476","","","","","","0.915","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505152","33.5","0.004","6.2922","0.0008","11.84","0.01","90","","110.464","0.002","90","","2338","2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","4-(2-adamantan-1-ylacetyl)benzoic acid 2,6,6- trimethylbicyclo[3.1.1]hept-3-yl ester","","- C29 H38 O3 -","- C29 H38 O3 -","- C116 H152 O12 -","4","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.0908","0.0554","","","0.1118","0.1231","","","","","","1.059","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505153","11.007","0.003","6.528","0.002","27.722","0.007","90","","90.435","0.004","90","","1991.9","1","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-(2-adamantan-1-ylacetyl)benzoic acid 2-bromo-1-methylethyl ester","","- C23 H29 Br O3 -","- C23 H27 Br0.99 O3 -","- C92 H108 Br3.96 O12 -","4","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.1775","0.1383","","","0.2894","0.3081","","","","","","1.079","","","","has coordinates,has disorder","179586","2020-10-21","18:00:00",""
"4505154","13.5047","0.001","22.3136","0.0017","6.8889","0.0005","90","","90","","90","","2075.9","0.3","173","2","173","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C15 H25 N4 O9 S -","- C15 H25 N4 O9 S -","- C60 H100 N16 O36 S4 -","4","1","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.71073","MoKα","","0.0789","0.0443","","","0.0918","0.1022","","","","","","1.012","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505155","15.597","0.003","21.361","0.004","7.6072","0.0013","90","","90","","90","","2534.5","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H26 N8 O12 S2 -","- C16 H18 N8 O12 S2 -","- C64 H72 N32 O48 S8 -","4","1","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.7107","MoKα","","0.0524","0.0461","","","0.1326","0.1373","","","","","","1.045","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505156","14.9757","0.001","7.2578","0.0005","20.0261","0.0013","90","","90","","90","","2176.6","0.3","173","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H18 N8 O10 S2 -","- C14 H18 N8 O10 S2 -","- C56 H72 N32 O40 S8 -","4","1","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.71073","MoKα","","0.0472","0.0358","","","0.0761","0.0791","","","","","","0.951","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505157","7.4632","0.0015","12.587","0.003","29.788","0.006","90","","93.983","0.004","90","","2791.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 N4 O3 S -","- C10 H15 N4 O3 S -","- C80 H120 N32 O24 S8 -","8","1","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.71073","MoKα","","0.0656","0.0621","","","0.1491","0.151","","","","","","1.107","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505158","25.53","0.004","14.088","0.002","11.9203","0.0019","90","","90","","90","","4287.3","1.1","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H26 Cl2 N6 O6 S2 -","- C18 H26 Cl2 N6 O6 S2 -","- C72 H104 Cl8 N24 O24 S8 -","4","0.5","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.71073","MoKα","","0.154","0.0797","","","0.1964","0.2237","","","","","","1.01","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505159","25.574","0.005","14.097","0.003","11.77","0.002","90","","90","","90","","4243.3","1.4","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H26 Cl2 N6 O6 S2 -","- C10.2857 H14.8571 Cl1.14286 N3.42857 O3.42857 S1.14286 -","- C72 H104 Cl8 N24 O24 S8 -","7","0.875","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.71073","MoKα","","0.1811","0.0932","","","0.1973","0.2313","","","","","","1.038","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505160","18.734","0.002","19.448","0.004","7.724","0.001","90","","90","","90","","2814.2","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C5 H6 Cl N3 O -","- C5 H6 Cl N3 O -","- C80 H96 Cl16 N48 O16 -","16","1","","Kaftory, Menahem; Botoshansky, Mark; Sheinin, Yana","Dimormorphism and Cocrystal Formation of 3-(Chloroacetamido)pyrazole","Crystal Growth & Design","2005","5","6","2242","","10.1021/cg0501229","","","0.71073","MoKα","","0.0463","0.0342","","","0.0859","0.0918","","","","","","0.996","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505161","23.83","0.005","23.83","0.005","5.196","0.001","90","","90","","90","","2950.6","1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Yana-370","","","- C5 H6 Cl N3 O -","- C5 H6 Cl N3 O -","- C80 H96 Cl16 N48 O16 -","16","1","","Kaftory, Menahem; Botoshansky, Mark; Sheinin, Yana","Dimormorphism and Cocrystal Formation of 3-(Chloroacetamido)pyrazole","Crystal Growth & Design","2005","5","6","2242","","10.1021/cg0501229","","","0.71073","MoKα","","0.1481","0.0488","","","0.114","0.1465","","","","","","0.81","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505162","5.157","0.001","14.293","0.002","15.318","0.003","90","","103.24","0.03","90","","1099.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Yana-31-I","","","- C7 H9 Cl2 N3 O3 -","- C7 H9 Cl2 N3 O3 -","- C28 H36 Cl8 N12 O12 -","4","1","","Kaftory, Menahem; Botoshansky, Mark; Sheinin, Yana","Dimormorphism and Cocrystal Formation of 3-(Chloroacetamido)pyrazole","Crystal Growth & Design","2005","5","6","2242","","10.1021/cg0501229","","","0.71073","MoKα","","0.0827","0.0441","","","0.1111","0.1233","","","","","","1.037","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505163","9.2636","0.0009","9.79","0.0009","10.7319","0.001","90","","115.025","0.001","90","","881.91","0.14","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","N,N'-bis(benzoyl)-(1R,2R)-diaminocyclohexane","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","1","","Anthony, S. Philip; Basavaiah, K.; Radhakrishnan, T. P.","Chiral Vicinal Bis(amide) Molecules: Polar/Helical Assemblies in Crystals and Second Harmonic Generation","Crystal Growth & Design","2005","5","5","1663","","10.1021/cg0501231","","","0.71073","MoKα","","0.0541","0.0407","","","0.0801","0.0847","","","","","","0.928","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505164","5.1328","0.0004","17.2924","0.0014","18.9976","0.0015","90","","90","","90","","1686.2","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N,N'-bis(isonicotinoyl)(1R,2R)diaminocyclohexane","","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C72 H80 N16 O8 -","4","1","","Anthony, S. Philip; Basavaiah, K.; Radhakrishnan, T. P.","Chiral Vicinal Bis(amide) Molecules: Polar/Helical Assemblies in Crystals and Second Harmonic Generation","Crystal Growth & Design","2005","5","5","1663","","10.1021/cg0501231","","","0.71073","MoKα","","0.0907","0.044","","","0.0788","0.0901","","","","","","0.88","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505165","8.542","","9.243","0.0001","10.1091","0.0002","70.035","0.01","67.654","0.012","79.818","0.014","692.83","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cd N2 O5 -","- C13 H13 Cd N2 O5 -","- C26 H26 Cd2 N4 O10 -","2","1","","Li, Xiaoju; Cao, Rong; Bi, Wenhua; Wang, Yanqin; Wang, Yuling; Li, Xing; Guo, Zhengang","A New Family of Cadmium(II) Coordination Polymers from Coligands: Effect of the Coexistent Groups (R = H, −NO2, −OH) on Crystal Structures and Properties","Crystal Growth & Design","2005","5","4","1651","","10.1021/cg050126d","","","0.71073","MoKα","","0.0408","0.0344","","","0.1027","0.1121","","","","","","0.84","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505166","8.411","0.003","10.05","0.003","10.664","0.003","91.273","0.002","103.991","0.003","113.77","0.003","793.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cd2 N6 O14 -","- C26 H24 Cd2 N6 O14 -","- C26 H24 Cd2 N6 O14 -","1","0.5","","Li, Xiaoju; Cao, Rong; Bi, Wenhua; Wang, Yanqin; Wang, Yuling; Li, Xing; Guo, Zhengang","A New Family of Cadmium(II) Coordination Polymers from Coligands: Effect of the Coexistent Groups (R = H, −NO2, −OH) on Crystal Structures and Properties","Crystal Growth & Design","2005","5","4","1651","","10.1021/cg050126d","","","0.71073","MoKα","","0.0355","0.032","","","0.0865","0.0901","","","","","","0.676","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505167","15.187","0.004","14.094","0.003","13.069","0.003","90","","109.117","0.002","90","","2643.1","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 Cd N2 O6 -","- C13 H13 Cd N2 O6 -","- C104 H104 Cd8 N16 O48 -","8","1","","Li, Xiaoju; Cao, Rong; Bi, Wenhua; Wang, Yanqin; Wang, Yuling; Li, Xing; Guo, Zhengang","A New Family of Cadmium(II) Coordination Polymers from Coligands: Effect of the Coexistent Groups (R = H, −NO2, −OH) on Crystal Structures and Properties","Crystal Growth & Design","2005","5","4","1651","","10.1021/cg050126d","","","0.71073","MoKα","","0.0217","0.0205","","","0.0897","0.0921","","","","","","0.847","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505168","9.377","0.0019","10.671","0.002","11.907","0.002","90","","108.4","0.03","90","","1130.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Br F4 N -","- C13 H6 Br F4 N -","- C52 H24 Br4 F16 N4 -","4","1","","Lucassen, André C. B.; Vartanian, Maida; Leitus, Gregory; van der Boom, Milko E.","4‘-Bromo-2‘,3‘,5‘,6‘-tetrafluorostilbazole: Donor and Acceptor Site for Halogen Bonding and π-Stacking in One Rigid-Rod-Type Molecule","Crystal Growth & Design","2005","5","5","1671","","10.1021/cg0501433","","","0.71073","MoKα","","0.0276","0.0241","","","0.0577","0.0591","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505169","8.0456","0.0007","11.4433","0.001","16.9978","0.0015","90","","93.866","0.002","90","","1561.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bipyridine suucinato nickel","","","- C14 H18 N2 Ni O7 -","- C14 H18 N2 Ni O7 -","- C56 H72 N8 Ni4 O28 -","4","1","","Zhou, Zhao-Hui; Yang, Jin-Mei; Wan, Hui-Lin","Diamine Substitution Reactions of Tetrahydrate Succinato Nickel, Cobalt, and Zinc Coordination Polymers","Crystal Growth & Design","2005","5","5","1825","","10.1021/cg050150r","","","0.71073","MoKα","","0.0779","0.058","","","0.1275","0.1365","","","","","","1.004","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505170","8.1405","0.0003","11.4833","0.0005","17.0073","0.0007","90","","94.193","0.001","90","","1585.58","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bipyridine succinato cobalt","","","- C14 H18 Co N2 O7 -","- C14 H18 Co N2 O7 -","- C56 H72 Co4 N8 O28 -","4","1","","Zhou, Zhao-Hui; Yang, Jin-Mei; Wan, Hui-Lin","Diamine Substitution Reactions of Tetrahydrate Succinato Nickel, Cobalt, and Zinc Coordination Polymers","Crystal Growth & Design","2005","5","5","1825","","10.1021/cg050150r","","","0.71073","MoKα","","0.0461","0.0402","","","0.0967","0.1002","","","","","","1.063","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505171","7.4798","0.0004","10.2092","0.0006","10.5362","0.0006","97.533","0.001","106.675","0.001","100.837","0.001","742.21","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","phenanthroline succinato nickel","","","- C16 H14 N2 Ni O5 -","- C16 H14 N2 Ni O5 -","- C32 H28 N4 Ni2 O10 -","2","1","","Zhou, Zhao-Hui; Yang, Jin-Mei; Wan, Hui-Lin","Diamine Substitution Reactions of Tetrahydrate Succinato Nickel, Cobalt, and Zinc Coordination Polymers","Crystal Growth & Design","2005","5","5","1825","","10.1021/cg050150r","","","0.71073","MoKα","","0.0524","0.0461","","","0.1041","0.1077","","","","","","1.078","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505172","7.5222","0.0006","10.3016","0.0008","10.5214","0.0008","97.624","0.001","106.787","0.001","100.583","0.001","752.2","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","phenanthroline succinato cobalt","","","- C16 H14 Co N2 O5 -","- C16 H14 Co N2 O5 -","- C32 H28 Co2 N4 O10 -","2","1","","Zhou, Zhao-Hui; Yang, Jin-Mei; Wan, Hui-Lin","Diamine Substitution Reactions of Tetrahydrate Succinato Nickel, Cobalt, and Zinc Coordination Polymers","Crystal Growth & Design","2005","5","5","1825","","10.1021/cg050150r","","","0.71073","MoKα","","0.0703","0.0509","","","0.0951","0.1047","","","","","","1.007","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505173","4.6868","0.0003","18.4268","0.0012","14.7201","0.0009","90","","90.5","0.001","90","","1271.22","0.14","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Rafilovich, Michal; Bernstein, Joel; Harris, Robin K.; Apperley, David C.; Karamertzanis, Panagiotis G.; Price, Sarah L.","Groth's Original Concomitant Polymorphs Revisited","Crystal Growth & Design","2005","5","6","2197","","10.1021/cg050151j","","","0.71073","MoKα","","0.051","0.0465","","","0.1172","0.1212","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505174","24.744","0.005","7.3803","0.0015","3.736","0.0007","90","","96.39","0.004","90","","678","0.2","373","2","373","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C26 H24 N8 O12 -","2","0.5","","Rafilovich, Michal; Bernstein, Joel; Harris, Robin K.; Apperley, David C.; Karamertzanis, Panagiotis G.; Price, Sarah L.","Groth's Original Concomitant Polymorphs Revisited","Crystal Growth & Design","2005","5","6","2197","","10.1021/cg050151j","","","0.71073","MoKα","","0.0484","0.0473","","","0.1199","0.1207","","","","","","1.131","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505175","11.6715","0.0004","13.2581","0.0004","18.4734","0.0006","90","","90","","90","","2858.61","0.16","183.2","","183.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Cl Mo O2 P2 -","- C32 H31 Cl Mo O2 P2 -","- C128 H124 Cl4 Mo4 O8 P8 -","4","1","","Faller, J. W.; Sarantopoulos, Nikos","Crystallization-Induced Asymmetric Transformations in Crotyl Molybdenum Complexes†","Crystal Growth & Design","2005","5","6","2356","","10.1021/cg050152b","","","0.7107","MoKα","","0.0596","0.034","","0.041","","0.034","","","0.759","","","0.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505176","9.8187","0.0006","16.4878","0.0007","11.0874","0.0007","90","","107.278","0.002","90","","1713.93","0.17","183.2","","183.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H37 Cl3 Mo O2 P2 -","- C35 H37 Cl3 Mo O2 P2 -","- C70 H74 Cl6 Mo2 O4 P4 -","2","1","","Faller, J. W.; Sarantopoulos, Nikos","Crystallization-Induced Asymmetric Transformations in Crotyl Molybdenum Complexes†","Crystal Growth & Design","2005","5","6","2356","","10.1021/cg050152b","","","0.7107","MoKα","","0.072","0.044","","0.067","","0.049","","","1.312","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505177","5.9429","0.0001","16.9118","0.0003","15.8675","0.0004","90","","94.0831","0.0007","90","","1590.72","0.06","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C68 H96 N8 O4 -","4","1","","Delen, Zeynep; Xie, Chunping; Hill, Pamela J.; Choi, Jong; Lahti, Paul M.","Hindered Hydrogen Bonding in 2,6-Di-tert-butylphenols with Para Aza-Heterocyclic Rings","Crystal Growth & Design","2005","5","5","1867","","10.1021/cg050156g","","","0.71073","MoKα","","0.0678","0.0482","","","0.1229","0.1318","","","","","","1.404","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505178","13.3482","0.0003","10.436","0.0003","11.372","0.0003","90","","93.652","0.002","90","","1580.92","0.07","298","","","","","","","","","","Lahti group laboratory","4","C 1 2/c 1","-C 2yc","15","","1-(3,5-di-t-butyl-4-hydroxyphenyl)-1,2,4-triazole","","- C16 H23 N3 O -","- C14 H21 N5 O -","- C56 H84 N20 O4 -","4","0.5","","Delen, Zeynep; Xie, Chunping; Hill, Pamela J.; Choi, Jong; Lahti, Paul M.","Hindered Hydrogen Bonding in 2,6-Di-tert-butylphenols with Para Aza-Heterocyclic Rings","Crystal Growth & Design","2005","5","5","1867","","10.1021/cg050156g","","","0.71073","MoKα","","0.0706","0.0598","","","0.1676","0.1781","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505179","18.6369","0.0002","37.3688","0.0004","12.3269","0.0001","90","","109.288","0.0004","90","","8103.04","0.14","298","","","","","","","","","","zd1128","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C340 H480 N40 O20 -","20","5","","Delen, Zeynep; Xie, Chunping; Hill, Pamela J.; Choi, Jong; Lahti, Paul M.","Hindered Hydrogen Bonding in 2,6-Di-tert-butylphenols with Para Aza-Heterocyclic Rings","Crystal Growth & Design","2005","5","5","1867","","10.1021/cg050156g","","","0.71073","MoKα","","0.1283","0.0615","","","0.1377","0.1683","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505180","9.9313","0.0002","11.9628","0.0002","15.316","0.0003","95.3533","0.0009","106.63","0.001","105.017","0.0008","1656.18","0.06","298","","","","","","","","","","Lahti group laboratory","4","P -1","-P 1","2","","","","- C18 H23 N2 O -","- C18 H23 N2 O -","- C72 H92 N8 O4 -","4","2","","Delen, Zeynep; Xie, Chunping; Hill, Pamela J.; Choi, Jong; Lahti, Paul M.","Hindered Hydrogen Bonding in 2,6-Di-tert-butylphenols with Para Aza-Heterocyclic Rings","Crystal Growth & Design","2005","5","5","1867","","10.1021/cg050156g","","","0.71073","MoKα","","0.1045","0.062","","","0.1565","0.1897","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505181","16.9957","0.0005","9.8726","0.0003","21.8641","0.0007","90","","90","","90","","3668.62","0.19","293","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Benzimidazolyl)-3,5-di-tert-butylphenol","","- C21 H26 N2 O -","- C21 H26 N2 O -","- C168 H208 N16 O8 -","8","1","","Delen, Zeynep; Xie, Chunping; Hill, Pamela J.; Choi, Jong; Lahti, Paul M.","Hindered Hydrogen Bonding in 2,6-Di-tert-butylphenols with Para Aza-Heterocyclic Rings","Crystal Growth & Design","2005","5","5","1867","","10.1021/cg050156g","","","1.54178","CuKα","","0.0625","0.0492","","","0.1205","0.1277","","","","","","0.944","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505182","7.7985","0.0007","12.0911","0.001","13.2824","0.0011","106.716","0.002","99.849","0.002","90.897","0.002","1179.03","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H18 Br3 F6 N3 O5 P S2 -","- C10 H18 Br2.5 F6 N3 O5 P S2 -","- C20 H36 Br5 F12 N6 O10 P2 S4 -","2","1","","Zhu, Shizheng; Jiang, Huiling; Zhao, Jingwei; Li, Zhanting","Reaction of 1,1,3,3-Tetraoxa-2,2-dibromo- 4,4,5,5,6,6-hexafluoro-1,3-dithiacyclohexane with Pyrazine and Hexamethylphosphoramide: Unexpected Cocrystals through Halogen Bonding","Crystal Growth & Design","2005","5","5","1675","","10.1021/cg0501579","","","0.71073","MoKα","","0.0883","0.0694","","","0.1678","0.1735","","","","","","0.911","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505183","13.6434","0.0011","14.8362","0.0012","13.1386","0.0011","90","","118.375","0.001","90","","2339.9","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H27 F6 N4 O5 P S2 -","- C13 H27 F6 N4 O5 P S2 -","- C52 H108 F24 N16 O20 P4 S8 -","4","1","","Zhu, Shizheng; Jiang, Huiling; Zhao, Jingwei; Li, Zhanting","Reaction of 1,1,3,3-Tetraoxa-2,2-dibromo- 4,4,5,5,6,6-hexafluoro-1,3-dithiacyclohexane with Pyrazine and Hexamethylphosphoramide: Unexpected Cocrystals through Halogen Bonding","Crystal Growth & Design","2005","5","5","1675","","10.1021/cg0501579","","","0.71073","MoKα","","0.0708","0.0475","","","0.1135","0.1216","","","","","","0.933","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505184","7.707","0.001","4.869","0.001","13.3","0.001","90","","99.946","0.01","90","","491.59","0.13","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl2 N4 O4 -","- C6 H10 Cl2 N4 O4 -","- C12 H20 Cl4 N8 O8 -","2","0.5","","Kühl, Olaf; Goutal, Sigrid","Acid/Base versus Redox Reaction−The Case of Chloranilic Acid and Hydrazine: A Supramolecular Decision?","Crystal Growth & Design","2005","5","5","1875","","10.1021/cg0501581","","","0.71073","MoKα","","0.0263","0.0222","","","0.0576","0.0613","","","","","","1.124","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505185","7.6158","0.0015","18.64","0.004","5.6584","0.0014","90","","104.838","0.017","90","","776.5","0.3","294","","294","","","","1","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Abdelmoty, Iman; Buchholz, Vera; Di, Li; Guo, Chengyun; Kowitz, Kathleen; Enkelmann, Volker; Wegner, Gerhard; Foxman, Bruce M.","Polymorphism of Cinnamic and α-Truxillic Acids: New Additions to an Old Story†","Crystal Growth & Design","2005","5","6","2210","","10.1021/cg050160s","","","0.71073","MoKα","","0.1291","0.0441","","0.1269","0.0542","0.0542","","","","","","1.1161","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505186","7.6462","0.0011","18.2905","0.0014","5.6092","0.0012","90","","106.057","0.016","90","","753.9","0.2","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 O2 -","- C9 H7 O2 -","- C36 H28 O8 -","4","1","","Abdelmoty, Iman; Buchholz, Vera; Di, Li; Guo, Chengyun; Kowitz, Kathleen; Enkelmann, Volker; Wegner, Gerhard; Foxman, Bruce M.","Polymorphism of Cinnamic and α-Truxillic Acids: New Additions to an Old Story†","Crystal Growth & Design","2005","5","6","2210","","10.1021/cg050160s","","","1.5418","CuKα","","0.0695","0.0621","","0.0852","0.0751","0.0751","","","","","","0.9664","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505187","15.9958","0.0012","5.6586","0.0005","16.3091","0.0012","90","","99.615","0.006","90","","1455.5","0.2","294","","294","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","0.5","","Abdelmoty, Iman; Buchholz, Vera; Di, Li; Guo, Chengyun; Kowitz, Kathleen; Enkelmann, Volker; Wegner, Gerhard; Foxman, Bruce M.","Polymorphism of Cinnamic and α-Truxillic Acids: New Additions to an Old Story†","Crystal Growth & Design","2005","5","6","2210","","10.1021/cg050160s","","","1.5418","CuKα","","0.0426","0.0349","","0.0509","0.0447","0.0447","","","","","","1.0407","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505188","31.296","0.004","4.0152","0.0017","6.083","0.002","90","","90.146","0.019","90","","764.4","0.4","294","","294","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Abdelmoty, Iman; Buchholz, Vera; Di, Li; Guo, Chengyun; Kowitz, Kathleen; Enkelmann, Volker; Wegner, Gerhard; Foxman, Bruce M.","Polymorphism of Cinnamic and α-Truxillic Acids: New Additions to an Old Story†","Crystal Growth & Design","2005","5","6","2210","","10.1021/cg050160s","","","0.71073","MoKα","","0.1155","0.0364","","0.1009","0.0443","0.0443","","","","","","1.1248","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4505189","14.741","0.002","9.137","0.0015","20.542","0.002","90","","90","","90","","2766.8","0.6","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N4 S2 -","- C12 H18 N4 S2 -","- C96 H144 N32 S16 -","8","1","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.072","0.044","","0.093","","0.042","","","1.08","","","1.14","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505190","8.834","0.004","12.4201","0.0018","17.0105","0.0017","90","","96.51","0.02","90","","1854.3","0.9","296","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H26 N4 S2 -","- C16 H19 N4 S2 -","- C64 H76 N16 S8 -","4","1","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.138","0.078","","0.156","","0.074","","","1.58","","","1.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505191","39.055","0.009","12.437","0.003","8.824","0.002","90","","101.08","0.02","90","","4206.2","1.7","296.2","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 N4 S2 -","- C18 H30 N4 S2 -","- C144 H240 N32 S16 -","8","1","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.252","0.121","","0.228","","0.11","","","1.49","","","2.13","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505192","23.056","0.002","8.6042","0.0009","9.45","0.001","90","","107.38","0.01","90","","1789.1","0.3","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H24 N4 S2 -","- C13.5 H24.5 N4 S2 -","- C54 H98 N16 S8 -","4","0.5","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.089","0.062","","0.178","","0.088","","","3.24","","","3.52","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505193","16.975","0.002","16.975","0.002","17.007","0.002","90","","90","","90","","4900.6","1","296","","296","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C21 H36 N4 S2 -","- C19.5 H32.5 N4 S2 -","- C156 H260 N32 S16 -","8","0.5","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.107","0.078","","0.149","","0.072","","","1.84","","","2.44","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505194","17.47","0.003","9.6949","0.0015","9.5174","0.0014","90","","90.275","0.003","90","","1611.9","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N4 S2 -","- C14 H22 N4 S2 -","- C56 H88 N16 S8 -","4","1","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.0496","0.0381","","","0.1095","0.1273","","","","","","0.9","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505195","16.755","0.002","16.755","0.002","18.559","0.003","90","","90","","90","","5210.1","1.2","296","","296","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H38 N4 S2 -","- C20.5 H37.5 N4 S2 -","- C164 H300 N32 S16 -","8","0.5","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.074","0.069","","0.143","","0.079","","","1.75","","","2.66","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505196","17.571","0.006","10.062","0.004","9.506","0.003","90","","91.699","0.006","90","","1679.9","1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N4 S2 -","- C15 H24 N4 S2 -","- C60 H96 N16 S8 -","4","1","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.1387","0.1243","","","0.3291","0.3391","","","","","","1.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505197","16.854","0.003","16.854","0.003","18.943","0.004","90","","90","","90","","5380.9","1.8","273","2","273","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C23 H40 N4 S2 -","- C21 H34 N4 S2 -","- C168 H272 N32 S16 -","8","0.5","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.141","0.085","","","0.2348","0.2567","","","","","","1.283","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505198","43.78","0.005","9.814","0.005","18.682","0.002","90","","108.49","0.01","90","","7612","4","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 N4 S2 -","- C16 H26 N4 S2 -","- C256 H416 N64 S32 -","16","2","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.137","0.07","","0.122","","0.055","","","1.11","","","1.36","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505199","18.535","0.003","9.878","0.001","25.659","0.004","90","","110.15","0.01","90","","4410.3","1.1","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19.5 H30 N4 S2 -","- C19 H26 N4 S2 -","- C152 H208 N32 S16 -","8","2","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.154","0.098","","0.188","","0.097","","","2.36","","","3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505200","13.1508","0.0014","15.054","0.0013","25.211","0.002","86.298","0.008","80.032","0.008","68.092","0.008","4560.7","0.8","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H34 N4 S2 -","- C19.875 H23.25 N4 S2 -","- C159 H186 N32 S16 -","8","4","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.157","0.093","","0.215","","0.107","","","2.66","","","3.35","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505201","16.699","0.004","16.693","0.006","18.989","0.004","90","","90","","90","","5293","3","273","","273","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H38 N4 S2 -","- C20.5 H37.5 N4 S2 -","- C164 H300 N32 S16 -","8","0.5","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.184","0.116","","0.152","","0.071","","","1.19","","","1.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505202","16.705","0.004","16.705","0.004","19.205","0.007","90","","90","","90","","5359","3","273","2","273","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C24 H42 N4 S2 -","- C24.2 H33 N4 S2 -","- C193.6 H264 N32 S16 -","8","0.5","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.1536","0.1102","","","0.2229","0.2406","","","","","","1.243","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505203","11.4624","0.0008","9.5205","0.0006","20.8472","0.0017","90","","103.046","0.007","90","","2216.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Mn N2 O6 -","- C24 H24 Mn N2 O6 -","- C96 H96 Mn4 N8 O24 -","4","1","","Dobrzyńska, Danuta; Jerzykiewicz, Lucjan B.; Jezierska, Julia; Duczmal, Marek","Crystal Structure and Characterization of Manganese(II) Carboxylates: 3D Metal−Organic Frameworks","Crystal Growth & Design","2005","5","5","1945","","10.1021/cg050169u","","","0.71073","MoKα","","0.063","0.0404","","","0.0748","0.0827","","","","","","1.043","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505204","11.5301","0.0016","11.5301","0.0016","11.5301","0.0016","90","","90","","90","","1532.8","0.4","203","2","203","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C10 H24 Cl N3 -","- C10 H24 Cl N3 -","- C40 H96 Cl4 N12 -","4","0.333333","","Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin","Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides","Crystal Growth & Design","2005","5","5","1881","","10.1021/cg050172d","","","0.71073","MoKα","","0.0813","0.0658","","","0.1772","0.1983","","","","","","1.087","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505205","9.6903","0.0012","9.6903","0.0012","34.257","0.006","90","","90","","90","","3216.8","0.8","203","2","203","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H26 Br N3 O -","- C10 H26 Br N3 O -","- C80 H208 Br8 N24 O8 -","8","1","","Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin","Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides","Crystal Growth & Design","2005","5","5","1881","","10.1021/cg050172d","","","0.71073","MoKα","","0.1457","0.0585","","","0.0764","0.0922","","","","","","1.026","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505206","7.991","0.004","18.379","0.009","11.456","0.006","90","","91.82","0.03","90","","1681.7","1.5","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 Br N3 -","- C15 H26 Br N3 -","- C60 H104 Br4 N12 -","4","1","","Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin","Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides","Crystal Growth & Design","2005","5","5","1881","","10.1021/cg050172d","","","0.71073","MoKα","","0.1318","0.0587","","","0.0718","0.0838","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505207","11.978","0.002","37.836","0.006","14.948","0.003","90","","90","","90","","6774","2","203","2","203","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C15 H26 Cl N3 -","- C15 H26 Cl N3 -","- C240 H416 Cl16 N48 -","16","","","Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin","Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides","Crystal Growth & Design","2005","5","5","1881","","10.1021/cg050172d","","","0.71073","MoKα","","0.1401","0.068","","","0.1612","0.1952","","","","","","1.067","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505208","9.3242","0.0001","11.1757","0.0002","14.5623","0.0002","90","","96.671","0.001","90","","1507.18","0.04","223","2","223","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Ag Cl O4 S2 -","- C13 H12 Ag Cl O4 S2 -","- C52 H48 Ag4 Cl4 O16 S8 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0347","0.0323","","","0.0847","0.0862","","","","","","1.006","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505209","9.2281","0.0001","11.2482","0.0001","14.3353","0.0001","90","","95.738","0.001","90","","1480.54","0.02","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Ag B F4 S2 -","- C13 H12 Ag B F4 S2 -","- C52 H48 Ag4 B4 F16 S8 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0376","0.0319","","","0.0765","0.0787","","","","","","0.975","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505210","4.9373","0.0001","19.9552","0.0005","16.2439","0.0004","90","","90.882","0.002","90","","1600.24","0.06","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Ag F3 O2 S2 -","- C15 H12 Ag F3 O2 S2 -","- C60 H48 Ag4 F12 O8 S8 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0904","0.0577","","","0.136","0.1476","","","","","","0.986","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505211","8.953","0.002","19.407","0.002","10.506","0.002","90","","110","0.02","90","","1715.3","0.6","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Ag F3 O3 S3 -","- C14 H12 Ag F3 O3 S3 -","- C56 H48 Ag4 F12 O12 S12 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.077","0.0504","","","0.1223","0.1302","","","","","","0.877","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505212","12.526","0.002","12.905","0.002","13.186","0.002","109.48","0.02","109.36","0.02","100.79","0.02","1786.5","0.7","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C28 H24 Ag2 F6 O6 S6 -","- C28.002 H24 Ag2 F6 O6 S6 -","- C56.004 H48 Ag4 F12 O12 S12 -","2","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0561","0.048","","","0.1313","0.1364","","","","","","1.017","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505213","6.9224","0.0001","11.1849","0.0002","12.859","0.0002","87.831","0.001","84.059","0.001","76.027","0.001","960.89","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C17 H12 Ag F7 O2 S2 -","- C17 H12 Ag F7 O2 S2 -","- C34 H24 Ag2 F14 O4 S4 -","2","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0317","0.0311","","","0.0853","0.0859","","","","","","1.056","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505214","10.9903","0.0002","11.3039","0.0002","13.0694","0.0002","99.339","0.001","90.383","0.001","99.491","0.001","1579.27","0.05","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C30 H24 Ag2 F4 O4 S4 -","- C30 H24 Ag2 F4 O4 S4 -","- C60 H48 Ag4 F8 O8 S8 -","2","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0369","0.0317","","","0.0792","0.0839","","","","","","0.947","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505215","10.0741","0.0002","12.2003","0.0002","4.63","0.0001","90","","90","","90","","569.06","0.019","220","2","220","2","","","","","","","Synthesized by the authors. See text","3","P 21 21 2","P 2 2ab","18","","","","- C13 H12 S2 -","- C13 H12 S2 -","- C26 H24 S4 -","2","0.5","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0328","0.0314","","","0.0852","0.0864","","","","","","1.051","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505216","14.6317","0.0002","14.6317","0.0002","15.875","0.0006","90","","90","","90","","3398.63","0.14","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H44 Cl2 Cu O12 S4 -","- C20 H44 Cl2 Cu O12 S4 -","- C80 H176 Cl8 Cu4 O48 S16 -","4","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Ribas, Joan","Flexible Disulfoxides as Bridging Ligands for Copper(II) Coordination Architectures: Fine Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2005","5","5","1919","","10.1021/cg050181m","","","0.71073","MoKα","","0.1034","0.0598","","","0.1482","0.1807","","","","","","1.091","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505217","11.844","0.004","11.924","0.004","27.91","0.009","94.575","0.005","99.754","0.005","90.059","0.005","3872","2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H194 Cl14 Cu4 O48 S16 -","- C89 H184 Cl14 Cu4 O48 S16 -","- C89 H184 Cl14 Cu4 O48 S16 -","1","0.5","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Ribas, Joan","Flexible Disulfoxides as Bridging Ligands for Copper(II) Coordination Architectures: Fine Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2005","5","5","1919","","10.1021/cg050181m","","","0.71073","MoKα","","0.2334","0.0811","","","0.133","0.1572","","","","","","0.719","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505218","8.7482","0.0009","9.081","0.0007","20.5411","0.0018","92.143","0.007","93.011","0.008","94.315","0.007","1623.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N12 Ni O4 -","- C34 H26 N12 Ni O4 -","- C68 H52 N24 Ni2 O8 -","2","1","","Nayak, Malabika; Koner, Rajesh; Stoeckli-Evans, Helen; Mohanta, Sasankasekhar","Hydrogen-Bonded One-Dimensional Zigzag Pairs and Helical Dimers in an Enolic 4-Terpyridone Based Nickel(II) Dicyanamide Supramolecule","Crystal Growth & Design","2005","5","5","1907","","10.1021/cg050182e","","","0.71073","MoKα","","0.0677","0.0394","","","0.0756","0.081","","","","","","0.885","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505219","8.5398","0.0006","10.75","0.0009","18.1077","0.0011","90","","90","","90","","1662.3","0.2","153","2","153","2","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Mo3 N2 O14 S -","- C5 H16 Mo3 N2 O14 S -","- C20 H64 Mo12 N8 O56 S4 -","4","1","","Muller, Eric A.; Cannon, Robert J.; Sarjeant, Amy Narducci; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.","Directed Synthesis of Noncentrosymmetric Molybdates","Crystal Growth & Design","2005","5","5","1913","","10.1021/cg050184z","","","0.7107","MoKα","","0.0482","0.0231","","0.0527","0.0524","0.0524","","","","","","0.8768","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505220","36.4719","0.0018","16.3165","0.0009","7.847","0.0006","90","","90","","90","","4669.7","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C47 H73 N7 O7 -","- C47 H73 N7 O7 -","- C188 H292 N28 O28 -","4","1","","Chmielewski, Michał J.; Dobrzycki, Łukasz; Jurczak, Janusz; Woźniak, Krzysztof","Unusual Anion−Anion Assembly inside a Macrocycle-Defined Channel in the Crystal Lattice","Crystal Growth & Design","2005","5","4","1339","","10.1021/cg0501938","","","0.71073","MoKα","","0.0767","0.0509","","","0.1088","0.1295","","","","","","1.039","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505221","20.735","0.005","9.323","0.003","20.978","0.005","90","","95.8","0.04","90","","4034.5","1.9","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Cu Mo0.5 N8 O3 -","- C14 H30 Cu Mo0.5 N8 O3 -","- C112 H240 Cu8 Mo4 N64 O24 -","8","1","","Mukhopadhyay, Uday; Bernal, Ivan","Self-Assembled Hexameric Water Clusters Stabilized by a Cyano-Bridged Trimetallic Complex","Crystal Growth & Design","2005","5","5","1687","","10.1021/cg0501940","","x-ray","0.71073","MoKα","","0.0421","0.0269","","","0.062","0.0673","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505222","19.27","0.003","19.906","0.003","25.249","0.003","90","","90","","90","","9685","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2:3 co-crystal Form I of Trimesic acid and 1,2-bis(4-pyridyl)ethane","2:3 co-crystal Form I of Benzene-1,3,5-tricarboxylic acid and 1,2-bis(4-pyridyl)ethane","","- C54 H48 N6 O12 -","- C54 H48 N6 O12 -","- C432 H384 N48 O96 -","8","1","","Shattock, Tanise R.; Vishweshwar, Peddy; Wang, Zhenqiang; Zaworotko, Michael J.","18-Fold Interpenetration and Concomitant Polymorphism in the 2:3 Co-Crystal of Trimesic Acid and 1,2-Bis(4-pyridyl)ethane†","Crystal Growth & Design","2005","5","6","2046","","10.1021/cg0501985","","","0.71073","MoKα","","0.0915","0.0557","","","0.1262","0.1548","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505223","10.344","0.002","12.313","0.002","18.914","0.004","90","","94.309","0.004","90","","2402.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2:3 co-crystal Form II of Trimesic acid and 1,2-bis(4-pyridyl)ethane","2:3 co-crystal Form II of Benzene-1,3,5-tricarboxylic acid and 1,2-bis(4-pyridyl)ethane","","- C54 H48 N6 O12 -","- C54 H48 N6 O12 -","- C108 H96 N12 O24 -","2","0.5","","Shattock, Tanise R.; Vishweshwar, Peddy; Wang, Zhenqiang; Zaworotko, Michael J.","18-Fold Interpenetration and Concomitant Polymorphism in the 2:3 Co-Crystal of Trimesic Acid and 1,2-Bis(4-pyridyl)ethane†","Crystal Growth & Design","2005","5","6","2046","","10.1021/cg0501985","","","0.71073","MoKα","","0.135","0.0626","","","0.1241","0.1484","","","","","","0.906","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505224","17.576","0.003","4.9526","0.0009","22.989","0.004","90","","97.321","0.004","90","","1984.8","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C80 H64 N16 O24 -","4","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.0888","0.048","","","0.117","0.1315","","","","","","0.82","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505225","4.928","0.002","10.098","0.004","19.901","0.008","90","","95.029","0.009","90","","986.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C40 H32 N8 O12 -","2","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.2995","0.0635","","","0.1244","0.1803","","","","","","1.348","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505226","5.0624","0.0016","10.196","0.004","10.958","0.004","105.163","0.01","100.651","0.006","97.373","0.006","527.1","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N4 O6 -","- C22 H20 N4 O6 -","- C22 H20 N4 O6 -","1","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.1607","0.0802","","","0.1421","0.1862","","","","","","1.169","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505227","5.2321","0.0008","7.773","0.0012","14.009","0.002","88.809","0.003","79.727","0.003","72.899","0.003","535.51","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N4 O6 -","- C22 H20 N4 O6 -","- C22 H20 N4 O6 -","1","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.0741","0.062","","","0.1693","0.1946","","","","","","1.106","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505228","5.1373","0.0007","5.1989","0.0008","23.223","0.003","86.042","0.003","88.088","0.003","86.449","0.003","617.32","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","1","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.0926","0.0611","","","0.1561","0.1894","","","","","","0.95","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505229","5.1801","0.001","5.2099","0.001","23.409","0.005","88.219","0.006","85.486","0.004","88.992","0.005","629.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","1","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.1564","0.0654","","","0.1609","0.2468","","","","","","0.867","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505230","5.215","0.002","6.86","0.003","18.858","0.007","84.79","0.007","89.247","0.007","80.962","0.007","663.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O6 -","- C28 H32 N4 O6 -","- C28 H32 N4 O6 -","1","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.1266","0.0627","","","0.1479","0.1951","","","","","","0.885","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505231","5.2263","0.001","6.9022","0.0013","19.145","0.004","94.246","0.004","90.234","0.004","100.533","0.004","677","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O6 -","- C28 H32 N4 O6 -","- C28 H32 N4 O6 -","1","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.202","0.0629","","","0.1771","0.2082","","","","","","1.163","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505232","12.8498","0.0014","9.0701","0.001","19.779","0.002","90","","100.132","0.002","90","","2269.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cu N O3 S2 -","- C21 H24 Cu N O3 S2 -","- C84 H96 Cu4 N4 O12 S8 -","4","1","","Park, Ki-Min; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Kim, Jineun; Choi, Kyu Seong; Jung, Ok-Sang; Lee, Shim Sung","Two-Dimensional Square-Grid versus One-Dimensional Double-Stranded Networks: Counterion Regulation of the Formation of Macrocycle-Based Copper(I) Coordination Frameworks","Crystal Growth & Design","2005","5","5","1707","","10.1021/cg050220u","","","0.71073","MoKα","","0.1513","0.0658","","","0.1613","0.2035","","","","","","0.953","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505233","9.9125","0.0019","10.2339","0.0019","13.055","0.002","102.88","0.004","102.706","0.004","94.705","0.003","1247.4","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H27 Cu I N O3 S2 -","- C22 H27 Cu I N O3 S2 -","- C44 H54 Cu2 I2 N2 O6 S4 -","2","1","","Park, Ki-Min; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Kim, Jineun; Choi, Kyu Seong; Jung, Ok-Sang; Lee, Shim Sung","Two-Dimensional Square-Grid versus One-Dimensional Double-Stranded Networks: Counterion Regulation of the Formation of Macrocycle-Based Copper(I) Coordination Frameworks","Crystal Growth & Design","2005","5","5","1707","","10.1021/cg050220u","","","0.71073","MoKα","","0.2139","0.0759","","","0.1805","0.26","","","","","","0.988","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505234","7.5099","0.0007","9.1405","0.0011","10.2177","0.0013","72.744","0.003","72.976","0.003","74.679","0.005","628.27","0.13","293","2","293","2","","","","","","","","2","P -1","-P 1","2","Cis-DPDSB","Cis,cis-2,5-Diphenyl-1,4-distyrylbenzene","","- C34 H26 -","- C34 H26 -","- C34 H26 -","1","0.5","","Xie, Zengqi; Liu, Linlin; Yang, Bing; Yang, Guangdi; Ye, Ling; Li, Min; Ma, Yuguang","Polymorphism of 2,5-Diphenyl-1,4-distyrylbenzene with Two cis Double Bonds: The Essential Role of Aromatic CH/π Hydrogen Bonds","Crystal Growth & Design","2005","5","5","1959","","10.1021/cg0502441","","x-ray","0.71073","MoKα","","0.0731","0.0506","","","0.1508","0.1679","","","","","","1.055","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505235","5.4867","0.0011","12.864","0.003","17.893","0.004","97.67","0.03","90.92","0.03","96","0.03","1244.2","0.5","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H26 -","- C34 H26 -","- C68 H52 -","2","1","","Xie, Zengqi; Liu, Linlin; Yang, Bing; Yang, Guangdi; Ye, Ling; Li, Min; Ma, Yuguang","Polymorphism of 2,5-Diphenyl-1,4-distyrylbenzene with Two cis Double Bonds: The Essential Role of Aromatic CH/π Hydrogen Bonds","Crystal Growth & Design","2005","5","5","1959","","10.1021/cg0502441","","","0.71073","MoKα","","0.2091","0.0646","","","0.0887","0.1086","","","","","","0.971","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505236","17.562","0.003","17.562","0.003","26.71","0.005","90","","90","","120","","7134","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H106 N6 Ni2 O37 -","- C78 H60 N6 Ni2 O36.96 -","- C234 H180 N18 Ni6 O110.88 -","3","0.166667","","Sun, Yan-Qiong; Zhang, Jie; Ju, Zhan-Feng; Yang, Guo-Yu","Two-Dimensional Noninterpenetrating Transition Metal Coordination Polymers with Large Honeycomb-like Hexagonal Cavities Constructed from a Carboxybenzyl Viologen Ligand","Crystal Growth & Design","2005","5","5","1939","","10.1021/cg050249y","","","0.71073","MoKα","","0.0806","0.0769","","","0.2152","0.2205","","","","","","1.089","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505237","17.7161","0.0008","17.7161","0.0008","26.869","0.003","90","","90","","120","","7303.3","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H106 Co2 N6 O37 -","- C78 H60 Co2 N6 O36.96 -","- C234 H180 Co6 N18 O110.88 -","3","0.166667","","Sun, Yan-Qiong; Zhang, Jie; Ju, Zhan-Feng; Yang, Guo-Yu","Two-Dimensional Noninterpenetrating Transition Metal Coordination Polymers with Large Honeycomb-like Hexagonal Cavities Constructed from a Carboxybenzyl Viologen Ligand","Crystal Growth & Design","2005","5","5","1939","","10.1021/cg050249y","","","0.71073","MoKα","","0.0864","0.0773","","","0.2062","0.2159","","","","","","1.129","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505238","15.2821","0.0017","21.417","0.002","9.215","0.001","90","","104.901","0.002","90","","2914.6","0.5","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C48 H50 N8 O28 P6 Zn4 -","- C48 H32 N8 O28 P6 Zn4 -","- C96 H64 N16 O56 P12 Zn8 -","2","0.25","","Venegas-Yazigi, D.; Cubillos, M.; Le Fur, E.; Pivan, J. Y.; Garland, M. T.; Baggio, R.; Spodine, E.","Organo-Inorganic Tetrameric Zinc Cluster with Phosphate Bridges. [Zn4(HPO4)4(phen)4](H3PO4)2(H2O)4","Crystal Growth & Design","2005","5","5","1695","","10.1021/cg0502690","","","0.71073","MoKα","","0.0582","0.0522","","","0.1345","0.1389","","","","","","1.108","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505239","6.2323","0.0009","33.014","0.005","6.4077","0.0009","90","","115.897","0.002","90","","1186","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","myo-inositol 1,3,5-orthobenzoate","","- C13 H14 O6 -","- C13 H14 O6 -","- C52 H56 O24 -","4","1","","Bhosekar, Gaurav; Murali, Chebrolu; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Identical Molecular Strings Woven Differently by Intermolecular Interactions in Dimorphs ofmyo-Inositol 1,3,5-Orthobenzoate","Crystal Growth & Design","2005","5","5","1977","","10.1021/cg050272j","","","0.71073","MoKα","","0.0465","0.0435","","","0.1029","0.1048","","","","","","1.147","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505240","17.08","0.004","6.3196","0.0014","11.361","0.003","90","","108.087","0.004","90","","1165.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","myo-inositol 1,3,5-orthobenzoate","","- C13 H14 O6 -","- C13 H14 O6 -","- C52 H56 O24 -","4","1","","Bhosekar, Gaurav; Murali, Chebrolu; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Identical Molecular Strings Woven Differently by Intermolecular Interactions in Dimorphs ofmyo-Inositol 1,3,5-Orthobenzoate","Crystal Growth & Design","2005","5","5","1977","","10.1021/cg050272j","","","0.71073","MoKα","","0.04","0.0343","","","0.0921","0.0958","","","","","","1.054","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505241","14.544","0.003","28.47","0.006","10.646","0.002","89.78","0.03","126.43","0.04","89.98","0.03","3547","2","90","2","90","2","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C80 H192 Mn8 N16 O104 -","8","","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.0361","0.0285","","","0.0689","0.0731","","","","","","1.011","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505242","14.73","0.003","28.329","0.006","10.786","0.003","89.95","0.03","126.05","0.04","90.05","0.03","3639","2","294","2","294","2","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C80 H192 Mn8 N16 O104 -","8","","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.1099","0.0458","","","0.0955","0.1143","","","","","","0.948","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505243","14.647","0.003","14.127","0.003","25.823","0.005","90","","96.22","0.03","90","","5311.8","1.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C120 H288 Mn12 N24 O156 -","12","3","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.1595","0.0505","","","0.0959","0.1264","","","","","","0.929","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505244","14.728","0.002","14.154","0.002","26.168","0.003","90","","96.44","0.01","90","","5420.6","1.2","267","2","267","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C120 H288 Mn12 N24 O156 -","12","3","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.1195","0.0392","","","0.0921","0.1227","","","","","","0.91","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505245","11.355","0.002","11.355","0.002","27.183","0.005","90","","90","","90","","3504.9","1.1","90","2","90","2","","","","","","","","5","P 43","P 4cw","78","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C80 H192 Mn8 N16 O104 -","8","2","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.0535","0.0361","","","0.0706","0.0755","","","","","","1.025","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505246","11.482","0.002","11.482","0.002","27.424","0.006","90","","90","","90","","3615.5","1.2","294","2","294","2","","","","","","","","5","P 43","P 4cw","78","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C80 H192 Mn8 N16 O104 -","8","2","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.1209","0.0466","","","0.0819","0.1011","","","","","","0.947","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505247","14.521","0.001","14.229","0.001","68.443","0.003","90","","96.26","0.01","90","","14057.3","1.5","90","0.2","90","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","diaqua(15-crown-5)iron(II) nitrate","","","- C10 H24 Fe N2 O13 -","- C10 H24 Fe N2 O13 -","- C320 H768 Fe32 N64 O416 -","32","","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.1222","0.0462","","","0.1075","0.134","","","","","","1.016","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505248","14.541","0.001","14.191","0.001","25.647","0.003","90","","96.21","0.01","90","","5261.2","0.8","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaqua(15-crown-5)iron(II) nitrate","","- C10 H24 Fe N2 O13 -","- C10 H24 Fe N2 O13 -","- C120 H288 Fe12 N24 O156 -","12","3","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.0643","0.0345","","","0.0861","0.0982","","","","","","1.042","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505249","14.664","0.002","14.192","0.002","25.991","0.003","90","","96.23","0.01","90","","5377.1","1.2","263","2","263","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaqua(15-crown-5)iron(II) nitrate","","- C10 H24 Fe N2 O13 -","- C10 H24 Fe N2 O13 -","- C120 H288 Fe12 N24 O156 -","12","3","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.0985","0.0385","","","0.0958","0.1213","","","","","","0.968","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505250","8.179","0.005","15.831","0.003","16.908","0.007","90","","101.67","0.04","90","","2144","1.7","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methoxynitrospiropyran 1b","3',3'-dimethyl-6-methoxy-8-nitro-1'-phenylspiro[2H-1-benzopyran-2,2'-indoline","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","1","","Vary, Michael W.; McBride, J. Michael","Using Spiropyran Fragment Superposition To Assign the EPR Spectrum of Localized Triplet Excitation on a Distorted Aromatic Nitro Group†","Crystal Growth & Design","2005","5","6","2036","","10.1021/cg0503907","","","0.7107","MoKα","","","0.063","","","","0.058","","","","","","","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505251","8.26","0.003","17.21","0.005","8.341","0.004","90","","105.36","0.04","90","","1143.4","0.8","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","ethoxynitrospiropyran 1b","3',3'-dimethyl-6-Ethoxy-8-nitro-1'-phenylspiro[2H-1-benzopyran-2,2'-indoline","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C52 H48 N4 O8 -","2","1","","Vary, Michael W.; McBride, J. Michael","Using Spiropyran Fragment Superposition To Assign the EPR Spectrum of Localized Triplet Excitation on a Distorted Aromatic Nitro Group†","Crystal Growth & Design","2005","5","6","2036","","10.1021/cg0503907","","","0.7107","MoKα","","","0.046","","","","0.06","","","","","","","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505252","8.474","0.003","10.496","0.001","14.552","0.004","76.89","0.02","86.59","0.03","82.58","0.02","1249.4","0.6","296","","296","","","","","","","","","4","P -1","-P 1","2","Methylmethoxynitrospiropyran_Benzene_Solvate","3,3',3'-trimethyl-6-methoxy-8-nitro-1'-phenylspiro[2H-1-benzopyran -2,2'-indoline benzene solvate","","- C29 H27 N2 O4 -","- C29 H27 N2 O4 -","- C58 H54 N4 O8 -","2","1","","Vary, Michael W.; McBride, J. Michael","Using Spiropyran Fragment Superposition To Assign the EPR Spectrum of Localized Triplet Excitation on a Distorted Aromatic Nitro Group†","Crystal Growth & Design","2005","5","6","2036","","10.1021/cg0503907","","","0.7107","MoKα","","","0.049","","","","0.06","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505253","33.167","0.007","9.954","0.002","14.988","0.003","90","","110.91","0.03","90","","4622.3","1.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 4,4'-bipyridine - 1,2-bis(4-pyridyl)ethane","","- C25 H26 N3 O6 -","- C25 H26 N3 O6 -","- C200 H208 N24 O48 -","8","1","","Bhogala, Balakrishna R.; Basavoju, Srinivas; Nangia, Ashwini","Three-Component Carboxylic Acid−Bipyridine Lattice Inclusion Host. Supramolecular Synthesis of Ternary Cocrystals","Crystal Growth & Design","2005","5","5","1683","","10.1021/cg058012p","","","0.71073","MoKα","","0.1025","0.053","","","0.1122","0.1425","","","","","","1.064","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505254","5.711","0.0004","14.1003","0.001","18.396","0.0013","86.1","0.001","84.56","0.001","82.123","0.001","1458.51","0.18","100","2","373","2","","","","","","","","4","P -1","-P 1","2","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane - 1,4-bis(4-pyridyl)butane - p-xylene","","- C32 H37 N3 O6 -","- C32 H37 N3 O6 -","- C64 H74 N6 O12 -","2","1","","Bhogala, Balakrishna R.; Basavoju, Srinivas; Nangia, Ashwini","Three-Component Carboxylic Acid−Bipyridine Lattice Inclusion Host. Supramolecular Synthesis of Ternary Cocrystals","Crystal Growth & Design","2005","5","5","1683","","10.1021/cg058012p","","","0.71073","MoKα","","0.0722","0.0641","","","0.1637","0.1704","","","","","","1.04","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505255","6.1002","0.0012","12.531","0.003","25.138","0.005","90","","93.73","0.03","90","","1917.5","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl-N-oxy)ethylene - 4,4'-bipyridine","","- C20 H21 N2 O7 -","- C20 H21 N2 O7 -","- C80 H84 N8 O28 -","4","1","","Bhogala, Balakrishna R.; Basavoju, Srinivas; Nangia, Ashwini","Three-Component Carboxylic Acid−Bipyridine Lattice Inclusion Host. Supramolecular Synthesis of Ternary Cocrystals","Crystal Growth & Design","2005","5","5","1683","","10.1021/cg058012p","","","0.71073","MoKα","","0.1171","0.0618","","","0.1488","0.1888","","","","","","1.028","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505256","5.0086","0.0003","5.0672","0.0003","26.4429","0.0015","84.845","0.004","88.899","0.004","64.261","0.003","601.93","0.06","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H45 N3 O3 -","- C23 H45 N3 O3 -","- C23 H45 N3 O3 -","1","1","","Menger, Fredric M.; Zhang, Hailing","Peptoads, a group of amphiphilic long-chain triamides.","Langmuir : the ACS journal of surfaces and colloids","2005","21","23","10428","10438","10.1021/la0516227","","","1.54178","CuKα","","0.0367","0.0353","","","0.0964","0.0975","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505257","4.8194","0.0009","4.8412","0.001","24.874","0.005","87.396","0.004","84.631","0.004","67.893","0.004","535.29","0.18","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H39 N3 O3 -","- C20 H39 N3 O3 -","- C20 H39 N3 O3 -","1","1","","Menger, Fredric M.; Zhang, Hailing","Peptoads, a group of amphiphilic long-chain triamides.","Langmuir : the ACS journal of surfaces and colloids","2005","21","23","10428","10438","10.1021/la0516227","","","0.71073","MoKα","","0.0953","0.0785","","","0.1762","0.1885","","","","","","1.009","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505258","8.4672","0.0003","5.2325","0.0003","53.24","0.002","90","","92.685","0.003","90","","2356.19","0.18","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H43 N3 O3 -","- C22 H43 N3 O3 -","- C88 H172 N12 O12 -","4","1","","Menger, Fredric M.; Zhang, Hailing","Peptoads, a group of amphiphilic long-chain triamides.","Langmuir : the ACS journal of surfaces and colloids","2005","21","23","10428","10438","10.1021/la0516227","","","1.54178","CuKα","","0.0766","0.0605","","","0.1497","0.1615","","","","","","1.065","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4511548","7.616","0.0019","19.37","0.005","15.222","0.004","90","","98.312","0.005","90","","2222","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Co N2 O5.5 -","- C26 H17 Co N2 O5.5 -","- C104 H68 Co4 N8 O22 -","4","1","","Han, Zheng-Bo; Cheng, Xiao-Ning; Chen, Xiao-Ming","Effect of the Size of Aromatic Chelate Ligands on the Frameworks of Metal Dicarboxylate Polymers: From Helical Chains to 2-D Networks","Crystal Growth & Design","2005","5","2","695","","10.1021/cg049834+","","","0.71073","MoKα","","0.0975","0.0771","","","0.1775","0.1887","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511549","7.6777","0.0008","19.0226","0.0019","15.2344","0.0015","90","","97.407","0.002","90","","2206.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N2 Ni O5.5 -","- C26 H17 N2 Ni O5.5 -","- C104 H68 N8 Ni4 O22 -","4","1","","Han, Zheng-Bo; Cheng, Xiao-Ning; Chen, Xiao-Ming","Effect of the Size of Aromatic Chelate Ligands on the Frameworks of Metal Dicarboxylate Polymers: From Helical Chains to 2-D Networks","Crystal Growth & Design","2005","5","2","695","","10.1021/cg049834+","","","0.71073","MoKα","","0.0786","0.0592","","","0.1274","0.136","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511550","16.295","0.003","16.093","0.003","20.271","0.004","90","","110.33","0.003","90","","4984.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H38 Co2 N8 O13 -","- C56 H38 Co2 N8 O13 -","- C224 H152 Co8 N32 O52 -","4","1","","Han, Zheng-Bo; Cheng, Xiao-Ning; Chen, Xiao-Ming","Effect of the Size of Aromatic Chelate Ligands on the Frameworks of Metal Dicarboxylate Polymers: From Helical Chains to 2-D Networks","Crystal Growth & Design","2005","5","2","695","","10.1021/cg049834+","","","0.71073","MoKα","","0.0489","0.0401","","","0.1101","0.116","","","","","","1.034","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511551","16.2122","0.0014","16.0154","0.0014","20.1031","0.0016","90","","110.772","0.002","90","","4880.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H38 N8 Ni2 O13 -","- C56 H38 N8 Ni2 O13 -","- C224 H152 N32 Ni8 O52 -","4","1","","Han, Zheng-Bo; Cheng, Xiao-Ning; Chen, Xiao-Ming","Effect of the Size of Aromatic Chelate Ligands on the Frameworks of Metal Dicarboxylate Polymers: From Helical Chains to 2-D Networks","Crystal Growth & Design","2005","5","2","695","","10.1021/cg049834+","","","0.71073","MoKα","","0.0772","0.0559","","","0.1391","0.1503","","","","","","1.024","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511552","6.852","0.001","17.012","0.001","17.31","0.001","90","","90","","90","","2017.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,7-Phenanthroline + water + HCl","","","- C24 H21 Cl N4 O2 -","- C24 H21 Cl N4 O2 -","- C96 H84 Cl4 N16 O8 -","4","1","","Arora, Kapildev K.; Pedireddi, V. R.","Poly(pseudo)rotaxane-like Network Mediated by Hydrogen Bonds in the Solid-State Structure of 1,7-Phenanthroline","Crystal Growth & Design","2005","5","4","1309","","10.1021/cg050038t","","","0.71073","MoKα","","0.0781","0.0491","","","0.1208","0.1335","","","","","","0.995","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511553","8.926","0.002","9.101","0.002","12.193","0.003","72.56","0.01","72.35","0.01","88.1","0.01","898.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,7-Phenanthroline","","","- C24 H16 N4 -","- C24 H16 N4 -","- C48 H32 N8 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","Poly(pseudo)rotaxane-like Network Mediated by Hydrogen Bonds in the Solid-State Structure of 1,7-Phenanthroline","Crystal Growth & Design","2005","5","4","1309","","10.1021/cg050038t","","","0.71073","MoKα","","0.0568","0.046","","","0.1059","0.1127","","","","","","1.022","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511554","16.309","0.003","14.636","0.003","13.941","0.004","90","","93.67","0.03","90","","3320.9","1.3","163","2","163","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C22 H25 Ag2 F12 N7 P2 S -","- C22 H25 Ag2 F12 N7 P2 S -","- C88 H100 Ag8 F48 N28 P8 S4 -","4","1","","Amoore, Jarrod J. M.; Black, Cory A.; Hanton, Lyall R.; Spicer, Mark D.","Increasing Structural Dimensionality in Ag(I) Coordination Polymers Formed from the Same Flexible Multimodal Thioether Pyrazine Ligand","Crystal Growth & Design","2005","5","3","1255","","10.1021/cg050011+","","","0.71073","MoKα","","0.1154","0.1027","","","0.2656","0.2704","","","","","","1.186","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511555","9.9188","0.0002","12.8858","0.0005","11.7449","0.0004","90","","100.646","0.002","90","","1475.3","0.08","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","CBC","","","- C10 H10 Ag F6 N4 P S -","- C10 H10 Ag F6 N4 P S -","- C40 H40 Ag4 F24 N16 P4 S4 -","4","1","","Amoore, Jarrod J. M.; Black, Cory A.; Hanton, Lyall R.; Spicer, Mark D.","Increasing Structural Dimensionality in Ag(I) Coordination Polymers Formed from the Same Flexible Multimodal Thioether Pyrazine Ligand","Crystal Growth & Design","2005","5","3","1255","","10.1021/cg050011+","","x-ray","0.71073","MoKα","","0.0404","0.0276","","","0.0575","0.062","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511556","10.7108","0.0001","13.2616","0.0002","20.7926","0.0003","90","","92.5034","0.0004","90","","2950.61","0.07","123","2","123","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","JAAGB","","","- C21 H23 Ag2 B2 F8 N9 O2 S2 -","- C21 H23 Ag2 B2 F8 N9 O2 S2 -","- C84 H92 Ag8 B8 F32 N36 O8 S8 -","4","1","","Amoore, Jarrod J. M.; Black, Cory A.; Hanton, Lyall R.; Spicer, Mark D.","Increasing Structural Dimensionality in Ag(I) Coordination Polymers Formed from the Same Flexible Multimodal Thioether Pyrazine Ligand","Crystal Growth & Design","2005","5","3","1255","","10.1021/cg050011+","","x-ray","0.71073","MoKα","","0.0299","0.0235","","","0.0505","0.0524","","","","","","1.059","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511557","8.767","0.004","12.523","0.006","10.476","0.005","90","","100.963","0.007","90","","1129.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cd N14 O8 -","- C12 H20 Cd N14 O8 -","- C24 H40 Cd2 N28 O16 -","2","0.5","","Yi, Long; Yang, Xing; Lu, Tongbu; Cheng, Peng","Self-Assembly of Right-Handed Helical Infinite Chain, One- and Two-Dimensional Coordination Polymers Tuned via Anions","Crystal Growth & Design","2005","5","3","1215","","10.1021/cg049587+","","","0.71073","MoKα","","0.0517","0.0356","","","0.0888","0.0988","","","","","","0.997","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511558","8.661","0.004","12.412","0.005","10.288","0.004","90","","100.717","0.007","90","","1086.7","0.8","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N14 O8 Zn -","- C12 H20 N14 O8 Zn -","- C24 H40 N28 O16 Zn2 -","2","0.5","","Yi, Long; Yang, Xing; Lu, Tongbu; Cheng, Peng","Self-Assembly of Right-Handed Helical Infinite Chain, One- and Two-Dimensional Coordination Polymers Tuned via Anions","Crystal Growth & Design","2005","5","3","1215","","10.1021/cg049587+","","","0.71073","MoKα","","0.0385","0.0304","","","0.0777","0.0825","","","","","","1.041","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511559","9.631","0.003","9.631","0.003","12.325","0.004","90","","90","","90","","1143.2","0.6","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C6 H8 Cl2 N6 Zn -","- C6 H8 Cl2 N6 Zn -","- C24 H32 Cl8 N24 Zn4 -","4","0.5","","Yi, Long; Yang, Xing; Lu, Tongbu; Cheng, Peng","Self-Assembly of Right-Handed Helical Infinite Chain, One- and Two-Dimensional Coordination Polymers Tuned via Anions","Crystal Growth & Design","2005","5","3","1215","","10.1021/cg049587+","","","0.71073","MoKα","","0.0571","0.0493","","","0.162","0.1685","","","","","","1.125","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511560","8.404","0.003","8.618","0.003","10.385","0.003","66.379","0.004","76.161","0.005","77.081","0.004","662.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cd Cl2 N12 O12 -","- C12 H24 Cd Cl2 N12 O12 -","- C12 H24 Cd Cl2 N12 O12 -","1","0.5","","Yi, Long; Yang, Xing; Lu, Tongbu; Cheng, Peng","Self-Assembly of Right-Handed Helical Infinite Chain, One- and Two-Dimensional Coordination Polymers Tuned via Anions","Crystal Growth & Design","2005","5","3","1215","","10.1021/cg049587+","","","0.71073","MoKα","","0.0577","0.0518","","","0.1387","0.1451","","","","","","1.11","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511561","7.604","0.008","13.403","0.004","16.366","0.008","109.47","0.03","98.36","0.06","99.17","0.05","1516.8","1.9","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N11 O16 -","- C23 H25 N11 O16 -","- C46 H50 N22 O32 -","2","1","","MacDonald, John C.; Yigit, Mehmet V.; Mychajlonka, Kyle","Two Concomitant Polymorphs of a Supramolecular Model of the Asp···His···Ser Catalytic Triad","Crystal Growth & Design","2005","5","6","2248","","10.1021/cg050092+","","","0.71069","MoKα","","0.1103","0.0778","","","0.2249","0.2537","","","","","","1.056","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511562","33.908","0.007","7.765","0.001","25.389","0.006","90","","114.74","0.02","90","","6071","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 N11 O16 -","- C23 H25 N11 O16 -","- C184 H200 N88 O128 -","8","1","","MacDonald, John C.; Yigit, Mehmet V.; Mychajlonka, Kyle","Two Concomitant Polymorphs of a Supramolecular Model of the Asp···His···Ser Catalytic Triad","Crystal Growth & Design","2005","5","6","2248","","10.1021/cg050092+","","","0.71069","MoKα","","0.0735","0.0506","","","0.1322","0.1458","","","","","","1.033","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511563","12.6912","0.0018","13.367","0.003","16.295","0.003","97","0.02","102.73","0.013","117.685","0.015","2305.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H43 Mn2 N5 O16 -","- C50 H43 Mn2 N5 O16 -","- C100 H86 Mn4 N10 O32 -","2","1","","Dobrzyńska, Danuta; Jerzykiewicz, Lucjan B.; Jezierska, Julia; Duczmal, Marek","Crystal Structure and Characterization of Manganese(II) Carboxylates: 3D Metal−Organic Frameworks","Crystal Growth & Design","2005","5","5","1945","","10.1021/cg050169u","","","0.71073","MoKα","","0.0457","0.0354","","","0.0895","0.0968","","","","","","0.849","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511564","11.3931","0.0005","15.4265","0.0007","7.6611","0.0003","90","","106.208","0.001","90","","1292.97","0.1","324","0.1","324","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(2',4'-dinitrobenzyl)pyridine","","- C12 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","","Naumov, Panče; Sakurai, Kenji","Reversible Thermal Gating of the Photochromic Properties of 3-Methyl-2-(2‘,4‘-dinitrobenzyl)pyridine in a Single Crystal","Crystal Growth & Design","2005","5","5","1699","","10.1021/cg050328+","","","0.71073","MoKα","","0.0844","0.0457","","","0.1221","0.1402","","","","","","0.894","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511565","11.5668","0.0007","15.3271","0.001","7.6407","0.0005","90","","105.885","0.002","90","","1302.86","0.14","328.9","0.2","329","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(2',4'-dinitrobenzyl)pyridine","","- C12 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","","Naumov, Panče; Sakurai, Kenji","Reversible Thermal Gating of the Photochromic Properties of 3-Methyl-2-(2‘,4‘-dinitrobenzyl)pyridine in a Single Crystal","Crystal Growth & Design","2005","5","5","1699","","10.1021/cg050328+","","","0.71073","MoKα","","0.1537","0.0463","","","0.1219","0.1447","","","","","","0.713","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511566","11.386","0.0007","15.422","0.001","7.658","0.0005","90","","106.188","0.002","90","","1291.39","0.14","319.7","0.2","320","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(2',4'-dinitrobenzyl)pyridine","","- C12 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","","Naumov, Panče; Sakurai, Kenji","Reversible Thermal Gating of the Photochromic Properties of 3-Methyl-2-(2‘,4‘-dinitrobenzyl)pyridine in a Single Crystal","Crystal Growth & Design","2005","5","5","1699","","10.1021/cg050328+","","","0.71073","MoKα","","0.0841","0.0459","","","0.1211","0.1359","","","","","","0.915","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511567","11.62","0.0002","15.38","0.0005","7.668","0.0003","90","","105.948","0.002","90","","1317.65","0.07","337","2","337","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(2',4'-dinitrobenzyl)pyridine","","- C12 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","","Naumov, Panče; Sakurai, Kenji","Reversible Thermal Gating of the Photochromic Properties of 3-Methyl-2-(2‘,4‘-dinitrobenzyl)pyridine in a Single Crystal","Crystal Growth & Design","2005","5","5","1699","","10.1021/cg050328+","","","0.71073","MoKα","","0.1084","0.055","","","0.1413","0.1671","","","","","","0.894","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511568","11.385","0.0007","15.422","0.001","7.659","0.0005","90","","106.176","0.001","90","","1291.52","0.14","316","0.3","316","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(2',4'-dinitrobenzyl)pyridine","","- C12 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","","Naumov, Panče; Sakurai, Kenji","Reversible Thermal Gating of the Photochromic Properties of 3-Methyl-2-(2‘,4‘-dinitrobenzyl)pyridine in a Single Crystal","Crystal Growth & Design","2005","5","5","1699","","10.1021/cg050328+","","","0.71073","MoKα","","0.0616","0.0473","","","0.1241","0.1317","","","","","","0.995","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511569","15.796","0.003","13.704","0.003","24.555","0.004","90","","92.42","0.005","90","","5310.6","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 N12 O16 S2 Zn2 -","- C42 H42 N12 O16 S2 Zn2 -","- C168 H168 N48 O64 S8 Zn8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.","Parallel and Inclined (1D →2D) Interlacing Modes in New Polyrotaxane Frameworks [M2(bix)3(SO4)2] [M = Zn(II), Cd(II); Bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2005","5","1","37","","10.1021/cg049794+","","","0.71073","MoKα","","0.1816","0.0884","","0.3106","0.2376","","","","1.02","","","","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511570","13.8132","0.0012","11.1759","0.0009","14.4009","0.0012","90","","96.37","0.002","90","","2209.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cd N6 O4 S -","- C21 H21 Cd N6 O4 S -","- C84 H84 Cd4 N24 O16 S4 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.","Parallel and Inclined (1D →2D) Interlacing Modes in New Polyrotaxane Frameworks [M2(bix)3(SO4)2] [M = Zn(II), Cd(II); Bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2005","5","1","37","","10.1021/cg049794+","","","0.71073","MoKα","","0.0298","0.0234","","0.0633","0.0595","","","","1.041","","","","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511571","10.1323","0.0008","18.6237","0.0015","12.6038","0.001","90","","100.3","0.002","90","","2340","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 Cd N6 O6 S -","- C21 H25 Cd N6 O6 S -","- C84 H100 Cd4 N24 O24 S4 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.","Parallel and Inclined (1D →2D) Interlacing Modes in New Polyrotaxane Frameworks [M2(bix)3(SO4)2] [M = Zn(II), Cd(II); Bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2005","5","1","37","","10.1021/cg049794+","","","0.71073","MoKα","","0.051","0.0286","","0.0763","0.067","","","","1.069","","","","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511572","8.6613","0.0006","10.5768","0.0008","11.0798","0.0008","81.366","0.001","80.022","0.001","69.272","0.001","930.59","0.12","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Cl2 Cu2 N6 O12 -","- C32 H30 Cl2 Cu2 N6 O12 -","- C32 H30 Cl2 Cu2 N6 O12 -","1","0.5","","Marin, Geanina; Tudor, Violeta; Kravtsov, Victor Ch.; Schmidtmann, Marc; Simonov, Yurii A.; Müller, Achim; Andruh, Marius","Extended Structures Constructed from Alkoxo-Bridged Binuclear Complexes as Nodes and Bis(4-pyridyl)ethylene as a Spacer","Crystal Growth & Design","2005","5","1","279","","10.1021/cg049920+","","","0.71073","MoKα","","0.0704","0.0552","","","0.1486","0.1611","","","","","","1.065","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511573","10.238","0.002","11.749","0.002","14.548","0.003","90","","95.35","0.03","90","","1742.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl Cu N3 O5 -","- C14 H16 Cl Cu N3 O5 -","- C56 H64 Cl4 Cu4 N12 O20 -","4","1","","Marin, Geanina; Tudor, Violeta; Kravtsov, Victor Ch.; Schmidtmann, Marc; Simonov, Yurii A.; Müller, Achim; Andruh, Marius","Extended Structures Constructed from Alkoxo-Bridged Binuclear Complexes as Nodes and Bis(4-pyridyl)ethylene as a Spacer","Crystal Growth & Design","2005","5","1","279","","10.1021/cg049920+","","","0.71073","MoKα","","0.0749","0.0366","","","0.08","0.089","","","","","","0.826","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511574","5.6334","0.0005","39.286","0.003","9.6819","0.0006","90","","91.276","0.007","90","","2142.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H42 N2 O2 S -","- C19 H42 N2 O2 S -","- C76 H168 N8 O8 S4 -","4","1","","Morris, David G.; Ryder, Karl S.; Muir, Kenneth W.","A Model for a Lipid Membrane Stabilized by C−H···X Bonds: The Crystal Structure of the Paraffinic Ylide Trimethylammonion-Hexadecylsulfonamidate CH3(CH2)15SO2N(−)N(+)Me3","Crystal Growth & Design","2005","5","1","361","","10.1021/cg049851z","","","0.71073","MoKα","","0.1743","0.1115","","","0.2968","0.351","","","","","","1.1","","","","has coordinates","179662","2020-10-21","18:00:00",""
"7000000","9.707","0.001","11.257","0.001","15.763","0.002","79.386","0.008","80.22","0.008","86.776","0.008","1667.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","compound Li2(3)","compound Li2[3]","","- C66 H102 B2 Fe3 Li2 O16 -","- C66 H102 B2 Fe3 Li2 O16 -","- C66 H102 B2 Fe3 Li2 O16 -","1","0.5","","Scheibitz, Matthias; Heilmann, Julia B.; Winter, Rainer F.; Bolte, Michael; Bats, Jan W.; Wagner, Matthias","Electronic interactions in oligoferrocenes with cationic, neutral and anionic four-coordinate boron bridges.","Dalton transactions (Cambridge, England : 2003)","2005","","1","159","170","10.1039/b413581d","","","0.71073","MoKα","","0.0781","0.048","","","0.1105","0.1205","","","","","","0.934","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000001","33.7681","0.0017","25.2931","0.0011","22.5567","0.0011","90","","122.115","0.003","90","","16317.7","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Li(2)","Li[2]","","- C39 H58 B Cl2 Fe2 Li O8 -","- C39 H58 B Cl2 Fe2 Li O8 -","- C624 H928 B16 Cl32 Fe32 Li16 O128 -","16","2","","Scheibitz, Matthias; Heilmann, Julia B.; Winter, Rainer F.; Bolte, Michael; Bats, Jan W.; Wagner, Matthias","Electronic interactions in oligoferrocenes with cationic, neutral and anionic four-coordinate boron bridges.","Dalton transactions (Cambridge, England : 2003)","2005","","1","159","170","10.1039/b413581d","","","0.71073","MoKα","","0.0638","0.0328","","","0.0536","0.0564","","","","","","0.885","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000002","9.7151","0.0013","13.5859","0.0014","14.408","0.0019","90","","95.585","0.011","90","","1892.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 6","compound 6","","- C24 H20 B F Fe N2 -","- C24 H20 B F Fe N2 -","- C96 H80 B4 F4 Fe4 N8 -","4","1","","Scheibitz, Matthias; Heilmann, Julia B.; Winter, Rainer F.; Bolte, Michael; Bats, Jan W.; Wagner, Matthias","Electronic interactions in oligoferrocenes with cationic, neutral and anionic four-coordinate boron bridges.","Dalton transactions (Cambridge, England : 2003)","2005","","1","159","170","10.1039/b413581d","","","0.71073","MoKα","","0.0766","0.0433","","","0.0848","0.0926","","","","","","0.902","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000003","9.1241","0.0012","29.76","0.003","23.503","0.003","90","","101.133","0.01","90","","6261.7","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 10","compound 10","","- C39 H32.5 B F Fe2.25 N2 -","- C38.99 H32.49 B F Fe2.25 N2 -","- C311.92 H259.92 B8 F8 Fe18 N16 -","8","2","","Scheibitz, Matthias; Heilmann, Julia B.; Winter, Rainer F.; Bolte, Michael; Bats, Jan W.; Wagner, Matthias","Electronic interactions in oligoferrocenes with cationic, neutral and anionic four-coordinate boron bridges.","Dalton transactions (Cambridge, England : 2003)","2005","","1","159","170","10.1039/b413581d","","","0.71073","MoKα","","0.1783","0.062","","","0.0959","0.1316","","","","","","0.74","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000004","12.1586","0.0014","21.716","0.004","15.4748","0.0015","90","","108.429","0.011","90","","3876.4","1","145","2","145","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(11)PF6","","","- C30 H26 B F6 Fe2 N2 P -","- C30 H26 B F6 Fe2 N2 P -","- C120 H104 B4 F24 Fe8 N8 P4 -","4","1","","Scheibitz, Matthias; Heilmann, Julia B.; Winter, Rainer F.; Bolte, Michael; Bats, Jan W.; Wagner, Matthias","Electronic interactions in oligoferrocenes with cationic, neutral and anionic four-coordinate boron bridges.","Dalton transactions (Cambridge, England : 2003)","2005","","1","159","170","10.1039/b413581d","","","0.71073","MoKα","","0.209","0.1537","","","0.4018","0.4156","","","","","","2.36","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7000005","14.389","0.003","7.702","0.002","14.993","0.003","90","","100.79","0.03","90","","1632.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cl N2 Rh S -","- C15 H24 Cl N2 Rh S -","- C60 H96 Cl4 N8 Rh4 S4 -","4","1","","Neveling, Arno; Julius, Gerrit R.; Cronje, Stephanie; Esterhuysen, Catharine; Raubenheimer, Helgard G.","Thione complexes of Rh(I): a first comparison with the bonding and catalytic activity of related carbene and imine compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","1","181","192","10.1039/b414040k","","","0.71073","MoKα","","0.0386","0.0247","","","0.0485","0.0517","","","","","","1.019","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000006","7.2603","0.0001","15.2871","0.0002","11.6752","0.0001","90","","90.018","0.001","90","","1295.82","0.03","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 Cl N Rh S -","- C11 H19 Cl N Rh S -","- C44 H76 Cl4 N4 Rh4 S4 -","4","1","","Neveling, Arno; Julius, Gerrit R.; Cronje, Stephanie; Esterhuysen, Catharine; Raubenheimer, Helgard G.","Thione complexes of Rh(I): a first comparison with the bonding and catalytic activity of related carbene and imine compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","1","181","192","10.1039/b414040k","","","0.71073","MoKα","","0.0358","0.0267","","","0.065","0.0787","","","","","","1.223","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000007","26.8149","0.0004","13.2815","0.0003","18.8678","0.0005","90","","126.851","0.001","90","","5377","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H39 Cl3 N4 O0.5 Rh -","- C23 H39 Cl3 N4 O0.5 Rh -","- C184 H312 Cl24 N32 O4 Rh8 -","8","1","","Neveling, Arno; Julius, Gerrit R.; Cronje, Stephanie; Esterhuysen, Catharine; Raubenheimer, Helgard G.","Thione complexes of Rh(I): a first comparison with the bonding and catalytic activity of related carbene and imine compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","1","181","192","10.1039/b414040k","","","0.71073","MoKα","","0.0768","0.0419","","","0.0934","0.105","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7000008","15.8475","0.0002","17.4778","0.0002","17.5446","0.0002","90","","90","","90","","4859.49","0.1","203","","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H58 Cl2 F12 N8 P2 Rh2 -","- C39 H58 Cl2 F12 N8 P2 Rh2 -","- C156 H232 Cl8 F48 N32 P8 Rh8 -","4","1","","Neveling, Arno; Julius, Gerrit R.; Cronje, Stephanie; Esterhuysen, Catharine; Raubenheimer, Helgard G.","Thione complexes of Rh(I): a first comparison with the bonding and catalytic activity of related carbene and imine compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","1","181","192","10.1039/b414040k","","","0.71073","MoKα","","0.0632","0.0325","","","0.0629","0.0707","","","","","","1.016","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000009","9.0467","0.0001","10.5875","0.0001","30.4334","0.0003","90","","94.147","0.001","90","","2907.34","0.05","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Cl N2 O P Rh S -","- C30 H35 Cl N2 O P Rh S -","- C120 H140 Cl4 N8 O4 P4 Rh4 S4 -","4","1","","Neveling, Arno; Julius, Gerrit R.; Cronje, Stephanie; Esterhuysen, Catharine; Raubenheimer, Helgard G.","Thione complexes of Rh(I): a first comparison with the bonding and catalytic activity of related carbene and imine compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","1","181","192","10.1039/b414040k","","","0.71073","MoKα","","0.0416","0.0271","","","0.062","0.0663","","","","","","1.035","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000010","16.855","0.005","11.632","0.002","9.278","0.002","90","","90","","90","","1819","0.7","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H20 Fe O4 Ru -","- C19 H20 Fe O4 Ru -","- C76 H80 Fe4 O16 Ru4 -","4","0.5","","Dennett, James N. L.; Knox, Selby A. R.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Orpen, A. Guy","The synthesis of [FeRu(CO)2(mu-CO)2(eta-C5H5)(eta-C5Me5)] and convenient entries to its organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","1","63","73","10.1039/b414412k","","","0.71073","MoKα","","0.0275","0.0206","","","0.0512","0.0534","","","","","","1.006","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000011","9.0302","0.0012","15.942","0.003","15.4674","0.0018","90","","91.577","0.012","90","","2225.8","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Fe O4 Ru -","- C23 H28 Fe O4 Ru -","- C92 H112 Fe4 O16 Ru4 -","4","1","","Dennett, James N. L.; Knox, Selby A. R.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Orpen, A. Guy","The synthesis of [FeRu(CO)2(mu-CO)2(eta-C5H5)(eta-C5Me5)] and convenient entries to its organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","1","63","73","10.1039/b414412k","","","0.71073","MoKα","","0.0431","0.0318","","","0.0708","0.0758","","","","","","1.06","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000012","23.83","0.003","10.3363","0.0017","21.803","0.002","90","","116.766","0.007","90","","4795","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Fe O3 Ru -","- C26 H36 Fe O3 Ru -","- C208 H288 Fe8 O24 Ru8 -","8","2","","Dennett, James N. L.; Knox, Selby A. R.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Orpen, A. Guy","The synthesis of [FeRu(CO)2(mu-CO)2(eta-C5H5)(eta-C5Me5)] and convenient entries to its organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","1","63","73","10.1039/b414412k","","","0.71073","MoKα","","0.0729","0.0399","","","0.0699","0.0796","","","","","","0.997","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000013","9.582","0.002","15.326","0.006","16.814","0.005","96.657","0.013","90.07","0.02","93.581","0.012","2447.7","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Fe O Ru -","- C30 H30 Fe O Ru -","- C120 H120 Fe4 O4 Ru4 -","4","2","","Dennett, James N. L.; Knox, Selby A. R.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Orpen, A. Guy","The synthesis of [FeRu(CO)2(mu-CO)2(eta-C5H5)(eta-C5Me5)] and convenient entries to its organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","1","63","73","10.1039/b414412k","","","0.71073","MoKα","","0.1025","0.0452","","","0.0622","0.0744","","","","","","0.903","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000014","8.514","0.003","14.59","0.005","18.653","0.005","90","","90","","90","","2317.1","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Fe O7 Ru -","- C24 H26 Fe O7 Ru -","- C96 H104 Fe4 O28 Ru4 -","4","1","","Dennett, James N. L.; Knox, Selby A. R.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Orpen, A. Guy","The synthesis of [FeRu(CO)2(mu-CO)2(eta-C5H5)(eta-C5Me5)] and convenient entries to its organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","1","63","73","10.1039/b414412k","","","0.71073","MoKα","","0.0681","0.05","","","0.1091","0.1139","","","","","","0.959","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000015","24.5308","0.0002","12.6289","0.0002","15.1524","0.0001","90","","114.912","0.001","90","","4257.4","0.09","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 B F4 Fe O3 Ru -","- C20 H23 B F4 Fe O3 Ru -","- C160 H184 B8 F32 Fe8 O24 Ru8 -","8","1","","Dennett, James N. L.; Knox, Selby A. R.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Orpen, A. Guy","The synthesis of [FeRu(CO)2(mu-CO)2(eta-C5H5)(eta-C5Me5)] and convenient entries to its organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","1","63","73","10.1039/b414412k","","","0.71073","MoKα","","0.0374","0.0273","","","0.0629","0.066","","","","","","0.99","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000016","9.2935","0.0019","9.918","0.002","13.163","0.003","90","","104.62","0.03","90","","1174","0.5","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C23 H27 B F4 Fe O3 Ru -","- C23 H27 B F4 Fe O3 Ru -","- C46 H54 B2 F8 Fe2 O6 Ru2 -","2","1","","Dennett, James N. L.; Knox, Selby A. R.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Orpen, A. Guy","The synthesis of [FeRu(CO)2(mu-CO)2(eta-C5H5)(eta-C5Me5)] and convenient entries to its organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","1","63","73","10.1039/b414412k","","","0.71073","MoKα","","0.024","0.0204","","","0.0396","0.0404","","","","","","0.943","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000017","16.921","0.002","10.601","0.001","16.233","0.002","90","","111.143","0.002","90","","2715.8","0.5","159","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 Cl2 Cu N3 O12 -","- C21 H31 Cl2 Cu N3 O12 -","- C84 H124 Cl8 Cu4 N12 O48 -","4","1","","Gasperov, Vesna; Galbraith, Stuart G.; Lindoy, Leonard F.; Rumbel, Brendan R.; Skelton, Brian W.; Tasker, Peter A.; White, Allan H.","A study of the complexation and extraction of Cu(II) sulfate and Ni(II) sulfate by N3O2-donor macrocycles.","Dalton transactions (Cambridge, England : 2003)","2005","","1","139","145","10.1039/b415189e","","","0.71073","MoKα","","0.09","0.054","","0.063","","0.059","","","1.126","","","1.203","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000018","25.092","0.002","38.474","0.003","11.666","0.001","90","","97.732","0.001","90","","11159.8","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H41 N3 Ni O13 S -","- C20 H38.5 N3 Ni O13 S -","- C320 H616 N48 Ni16 O208 S16 -","16","4","","Gasperov, Vesna; Galbraith, Stuart G.; Lindoy, Leonard F.; Rumbel, Brendan R.; Skelton, Brian W.; Tasker, Peter A.; White, Allan H.","A study of the complexation and extraction of Cu(II) sulfate and Ni(II) sulfate by N3O2-donor macrocycles.","Dalton transactions (Cambridge, England : 2003)","2005","","1","139","145","10.1039/b415189e","","","0.71073","MoKα","","0.092","0.079","","0.102","","0.099","","","1.958","","","1.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000019","12.01","0.002","13.212","0.002","28.428","0.004","79.278","0.002","80.11","0.002","85.473","0.002","4361.1","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H42.3 Cu N3 O13.67 S -","- C20 H41 Cu N3 O13.6667 S -","- C120 H246 Cu6 N18 O82 S6 -","6","3","","Gasperov, Vesna; Galbraith, Stuart G.; Lindoy, Leonard F.; Rumbel, Brendan R.; Skelton, Brian W.; Tasker, Peter A.; White, Allan H.","A study of the complexation and extraction of Cu(II) sulfate and Ni(II) sulfate by N3O2-donor macrocycles.","Dalton transactions (Cambridge, England : 2003)","2005","","1","139","145","10.1039/b415189e","","","0.71073","MoKα","","0.067","0.053","","0.067","","0.063","","","1.24","","","1.3","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000020","8.062","0.001","14.197","0.001","20.239","0.001","90","","104.19","0.003","90","","2245.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Cl3 N2 O5 Pd -","- C16 H21 Cl3 N2 O5 Pd -","- C64 H84 Cl12 N8 O20 Pd4 -","4","1","","Favier, Isabelle; Gomez, Montserrat; Granell, Jaume; Martinez, Manuel; Solans, Xavier; Font-Bardia, Merce","Kinetico-mechanistic studies of C-H bond activation on new Pd complexes containing N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","1","123","132","10.1039/b415613g","","","0.71069","MoKα","","0.0531","0.036","","","0.0952","0.107","","","","","","1.059","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000021","10.162","0.001","10.5199","0.0017","10.58","0.001","93.169","0.014","99.09","0.01","115.404","0.009","999.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl N2 O5 Pd -","- C16 H24 Cl N2 O5 Pd -","- C32 H48 Cl2 N4 O10 Pd2 -","2","1","","Favier, Isabelle; Gomez, Montserrat; Granell, Jaume; Martinez, Manuel; Solans, Xavier; Font-Bardia, Merce","Kinetico-mechanistic studies of C-H bond activation on new Pd complexes containing N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","1","123","132","10.1039/b415613g","","","0.71073","MoKα","","0.0308","0.03","","","0.0964","0.0973","","","","","","1.221","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000022","7.651","0.004","10.646","0.002","10.904","0.002","117.14","0.02","100.86","0.02","91.26","0.03","770.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Cl3 N2 Pd -","- C12 H17 Cl3 N2 Pd -","- C24 H34 Cl6 N4 Pd2 -","2","1","","Favier, Isabelle; Gomez, Montserrat; Granell, Jaume; Martinez, Manuel; Solans, Xavier; Font-Bardia, Merce","Kinetico-mechanistic studies of C-H bond activation on new Pd complexes containing N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","1","123","132","10.1039/b415613g","","","0.71073","MoKα","","0.106","0.0362","","","0.0805","0.0919","","","","","","1.011","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000023","27.802","0.003","11.851","0.001","14.772","0.001","90","","118.737","0.012","90","","4267.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 Cl3 N2 O4 Pd -","- C16 H23 Cl3 N2 O4 Pd -","- C128 H184 Cl24 N16 O32 Pd8 -","8","1","","Favier, Isabelle; Gomez, Montserrat; Granell, Jaume; Martinez, Manuel; Solans, Xavier; Font-Bardia, Merce","Kinetico-mechanistic studies of C-H bond activation on new Pd complexes containing N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","1","123","132","10.1039/b415613g","","","0.71073","MoKα","","0.0606","0.0407","","","0.1206","0.1385","","","","","","1.013","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000024","12.644","0.014","22.78","0.024","13.771","0.015","90","","93.78","0.01","90","","3958","7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Cu2((20)Py2N4)(H2O)4).(CU(H2O)6).4SO4.2H2O","","","- C20 H56 Cu3 N6 O25 S3 -","- C20 H56 Cu3 N6 O25 S3 -","- C80 H224 Cu12 N24 O100 S12 -","4","1","","Li, Feng; Delgado, Rita; Costa, Judite; Drew, Michael G. B.; Felix, Vitor","Ditopic hexaazamacrocycles containing pyridine: synthesis, protonation and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2005","","1","82","91","10.1039/b415718d","","","0.71073","MoKα","","0.0957","0.0612","","","0.1698","0.1871","","","","","","1.123","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000025","44.912","0.053","12.707","0.014","17.266","0.019","90","","90","","90","","9854","19","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","(Cu2((20)Py2N4)(CH3CN)4).(Ni((20)Py2N4)).(SO4)2(CLO4)2.0.25H2O","","","- C68 H104 Cl8 Cu2 N22 Ni2 O33 -","- C68 H104 Cl8 Cu2 N22 Ni2 O33 -","- C272 H416 Cl32 Cu8 N88 Ni8 O132 -","4","0.25","","Li, Feng; Delgado, Rita; Costa, Judite; Drew, Michael G. B.; Felix, Vitor","Ditopic hexaazamacrocycles containing pyridine: synthesis, protonation and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2005","","1","82","91","10.1039/b415718d","","","0.71073","MoKα","","0.2008","0.1258","","","0.3246","0.3624","","","","","","1.141","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000026","17.9912","0.0011","12.707","0.0008","22.8638","0.0014","90","","91.285","0.001","90","","5225.7","0.6","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C106 H106 N11 Ni6 O31 -","- C104 H102 N10 Ni6 O30.648 -","- C208 H204 N20 Ni12 O61.296 -","2","0.5","","Wörl, Stefan; Pritzkow, Hans; Fritsky, Igor O.; Krämer, Roland","Synthesis, structure and magnetism of a new ferromagnetic hexanuclear nickel cluster with a dicubane-like core.","Dalton transactions (Cambridge, England : 2003)","2005","","1","27","29","10.1039/b417053a","","","0.71073","MoKα","","0.0858","0.0592","","","0.1375","0.1459","","","","","","1.065","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7000027","12.031","0.009","21.864","0.016","14.551","0.011","90","","102.581","0.013","90","","3736","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5,10,15,20-tetraphenylporpholactonato Manganese(III) chloride","5,10,15,20-tetraphenylporpholactonato Manganese(III) chloride","","- C44 H27 Cl4 Mn N4 O2 -","- C43 H26 Cl Mn N4 O1.288 -","- C172 H104 Cl4 Mn4 N16 O5.152 -","4","1","","Anιl Çetin; Christopher J. Ziegler","Structure and catalytic activity of a manganese(III) tetraphenylporpholactone","Dalton Transactions","2005","","1","25","","10.1039/b417321j","","","0.71073","MoKα","","0.1203","0.0752","","","0.1811","0.2009","","","","","","0.911","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000028","10.707","0.004","21.664","0.009","34.608","0.014","90","","90","","90","","8028","6","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H60 Cl2 Ga3 Rh -","- C40 H60 Cl2 Ga3 Rh -","- C320 H480 Cl16 Ga24 Rh8 -","8","1","","Steinke, Tobias; Gemel, Christian; Cokoja, Mirza; Winter, Manuela; Fischer, Roland A.","Novel RhCp*/GaCp* and RhCp*/InCp* cluster complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","55","62","10.1039/b408632e","","","0.71073","MoKα","","0.0901","0.0559","","","0.1059","0.1182","","","","","","1.078","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000029","11.652","0.002","18.467","0.004","15.991","0.003","90","","94.4","0.03","90","","3430.8","1.2","293","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 Cl3 Ga3 Rh -","- C30 H30 Cl3 Ga3 Rh -","- C120 H120 Cl12 Ga12 Rh4 -","4","1","","Steinke, Tobias; Gemel, Christian; Cokoja, Mirza; Winter, Manuela; Fischer, Roland A.","Novel RhCp*/GaCp* and RhCp*/InCp* cluster complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","55","62","10.1039/b408632e","","","0.71073","MoKα","","0.0845","0.0453","","","0.0919","0.0999","","","","","","0.921","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000030","10.004","0.002","15.458","0.003","19.4","0.004","101.842","0.005","98.54","0.005","95.925","0.005","2875.8","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H79 Cl4 In3 O2 Rh2 -","- C50 H75 Cl4 In3 O2 Rh2 -","- C100 H150 Cl8 In6 O4 Rh4 -","2","1","","Steinke, Tobias; Gemel, Christian; Cokoja, Mirza; Winter, Manuela; Fischer, Roland A.","Novel RhCp*/GaCp* and RhCp*/InCp* cluster complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","55","62","10.1039/b408632e","","","0.71073","MoKα","","0.0322","0.0281","","","0.0781","0.081","","","","","","1.085","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000031","11.819","0.007","13.99","0.009","17.931","0.01","74.978","0.016","71.02","0.014","67.023","0.014","2551","3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H79 Ga3 Rh2 -","- C53.5 H75 Ga3 Rh2 -","- C107 H150 Ga6 Rh4 -","2","1","","Steinke, Tobias; Gemel, Christian; Cokoja, Mirza; Winter, Manuela; Fischer, Roland A.","Novel RhCp*/GaCp* and RhCp*/InCp* cluster complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","55","62","10.1039/b408632e","","","0.71073","MoKα","","0.1197","0.0593","","","0.117","0.1388","","","","","","0.906","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000032","15.283","0.003","11.742","0.002","17.902","0.004","90","","90","","90","","3212.6","1.1","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H48 Ga2 Rh2 -","- C34 H40 Ga2 Rh2 -","- C136 H160 Ga8 Rh8 -","4","0.5","","Steinke, Tobias; Gemel, Christian; Cokoja, Mirza; Winter, Manuela; Fischer, Roland A.","Novel RhCp*/GaCp* and RhCp*/InCp* cluster complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","55","62","10.1039/b408632e","","","0.71073","MoKα","","0.0561","0.0371","","","0.0906","0.1002","","","","","","1.025","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000033","8.1797","0.0016","11.725","0.002","38.021","0.008","90","","92.162","0.004","90","","3643.9","1.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Cl F12 N8 O P2 Rh -","- C28 H36 Cl F12 N8 O P2 Rh -","- C112 H144 Cl4 F48 N32 O4 P8 Rh4 -","4","1","","Gonzalez, Veronica; Adams, Harry; Thomas, Jim A.","A convenient synthetic route to half-sandwich rhodium(III) complexes of the tripodal ligand tris(3,5-dimethylpyrazolyl)methane.","Dalton transactions (Cambridge, England : 2003)","2005","","1","110","115","10.1039/b410876k","","","0.71073","MoKα","","0.1028","0.0587","","","0.1481","0.1648","","","","","","0.996","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000034","8.8314","0.0013","11.1993","0.0017","33.99","0.005","90","","92.057","0.003","90","","3359.6","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl F12 N8 P2 Rh -","- C28 H30 Cl F12 N8 P2 Rh -","- C112 H120 Cl4 F48 N32 P8 Rh4 -","4","1","","Gonzalez, Veronica; Adams, Harry; Thomas, Jim A.","A convenient synthetic route to half-sandwich rhodium(III) complexes of the tripodal ligand tris(3,5-dimethylpyrazolyl)methane.","Dalton transactions (Cambridge, England : 2003)","2005","","1","110","115","10.1039/b410876k","","","0.71073","MoKα","","0.1084","0.0688","","","0.1572","0.1753","","","","","","1.04","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000035","8.0197","0.0008","11.8664","0.0012","16.0172","0.0016","90","","95.709","0.002","90","","1516.7","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H30 Cl2 F6 N8 P Rh -","- C23 H30 Cl2 F6 N8 P Rh -","- C46 H60 Cl4 F12 N16 P2 Rh2 -","2","1","","Gonzalez, Veronica; Adams, Harry; Thomas, Jim A.","A convenient synthetic route to half-sandwich rhodium(III) complexes of the tripodal ligand tris(3,5-dimethylpyrazolyl)methane.","Dalton transactions (Cambridge, England : 2003)","2005","","1","110","115","10.1039/b410876k","","","0.71073","MoKα","","0.04","0.0342","","","0.0725","0.075","","","","","","1.019","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000036","11.822","0.004","10.362","0.004","36.801","0.013","90","","96.243","0.008","90","","4481","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 Cl F12 N11 P2 Rh -","- C32 H41 Cl F12 N11 P2 Rh -","- C128 H164 Cl4 F48 N44 P8 Rh4 -","4","1","","Gonzalez, Veronica; Adams, Harry; Thomas, Jim A.","A convenient synthetic route to half-sandwich rhodium(III) complexes of the tripodal ligand tris(3,5-dimethylpyrazolyl)methane.","Dalton transactions (Cambridge, England : 2003)","2005","","1","110","115","10.1039/b410876k","","","0.71073","MoKα","","0.1482","0.0832","","","0.1968","0.2234","","","","","","0.895","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000037","13.691","0.002","19.901","0.004","23.582","0.004","90","","90","","90","","6425.3","1.9","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H88 Cl2 Ga4 Ru2 -","- C60 H88 Cl2 Ga4 Ru2 -","- C240 H352 Cl8 Ga16 Ru8 -","4","1","","Cokoja, Mirza; Gemel, Christian; Steinke, Tobias; Schroder, Felicitas; Fischer, Roland A.","Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4.","Dalton transactions (Cambridge, England : 2003)","2005","","1","44","54","10.1039/b411727a","","","0.71073","MoKα","","0.0424","0.0326","","","0.0726","0.0769","","","","","","1.002","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000038","23.953","0.012","12.707","0.006","17.016","0.008","90","","127.09","0.012","90","","4131","4","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 Cl2 Ru2 -","- C20 H25 Cl2 Ru2 -","- C160 H200 Cl16 Ru16 -","8","1","","Cokoja, Mirza; Gemel, Christian; Steinke, Tobias; Schroder, Felicitas; Fischer, Roland A.","Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4.","Dalton transactions (Cambridge, England : 2003)","2005","","1","44","54","10.1039/b411727a","","","0.71073","MoKα","","0.1182","0.0664","","","0.1438","0.1722","","","","","","0.975","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000039","10.811","0.003","16.953","0.004","18.526","0.004","90","","99.328","0.005","90","","3350.5","1.4","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cl3 Ga3 Ru -","- C30 H44 Cl3 Ga3 Ru -","- C120 H176 Cl12 Ga12 Ru4 -","4","1","","Cokoja, Mirza; Gemel, Christian; Steinke, Tobias; Schroder, Felicitas; Fischer, Roland A.","Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4.","Dalton transactions (Cambridge, England : 2003)","2005","","1","44","54","10.1039/b411727a","","","0.71073","MoKα","","0.0442","0.0323","","","0.0763","0.0829","","","","","","1.017","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000040","12.038","0.003","20.651","0.006","18.467","0.006","90","","102.358","0.008","90","","4484","2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Cl In3 Ru -","- C40 H60 Cl In3 Ru -","- C160 H240 Cl4 In12 Ru4 -","4","1","","Cokoja, Mirza; Gemel, Christian; Steinke, Tobias; Schroder, Felicitas; Fischer, Roland A.","Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4.","Dalton transactions (Cambridge, England : 2003)","2005","","1","44","54","10.1039/b411727a","","","0.71073","MoKα","","0.109","0.0642","","","0.1402","0.1576","","","","","","0.947","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000041","14.971","0.003","18.608","0.004","21.868","0.004","90","","92.57","0.03","90","","6086","2","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H96 Cl In3 Ru Si9 -","- C40 H96 Cl In3 Ru Si9 -","- C160 H384 Cl4 In12 Ru4 Si36 -","4","1","","Cokoja, Mirza; Gemel, Christian; Steinke, Tobias; Schroder, Felicitas; Fischer, Roland A.","Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4.","Dalton transactions (Cambridge, England : 2003)","2005","","1","44","54","10.1039/b411727a","","","0.71073","MoKα","","0.0598","0.0346","","","0.0648","0.0728","","","","","","1.021","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000042","11.39","0.003","16.605","0.004","21.418","0.005","90","","90","","90","","4050.8","1.7","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 Cl Ga3 Ru -","- C40 H48 Cl Ga3 Ru -","- C160 H192 Cl4 Ga12 Ru4 -","4","1","","Cokoja, Mirza; Gemel, Christian; Steinke, Tobias; Schroder, Felicitas; Fischer, Roland A.","Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4.","Dalton transactions (Cambridge, England : 2003)","2005","","1","44","54","10.1039/b411727a","","","0.71073","MoKα","","0.0508","0.0344","","","0.0656","0.0712","","","","","","0.987","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000043","17.208","0.005","18.071","0.002","22.538","0.006","88.597","0.017","86.16","0.02","88.048","0.016","6987","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H79 B Ga3 Ru -","- C64 H78.5 B Ga3 Ru -","- C256 H314 B4 Ga12 Ru4 -","4","2","","Cokoja, Mirza; Gemel, Christian; Steinke, Tobias; Schroder, Felicitas; Fischer, Roland A.","Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4.","Dalton transactions (Cambridge, England : 2003)","2005","","1","44","54","10.1039/b411727a","","","0.71073","MoKα","","0.0732","0.0493","","","0.1143","0.1238","","","","","","0.895","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000044","11.193","0.003","14.875","0.003","16.451","0.003","88.692","0.018","71.07","0.02","87.074","0.019","2587.5","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H63 Cl3 Ga4 Ru -","- C50 H63 Cl3 Ga4 Ru -","- C100 H126 Cl6 Ga8 Ru2 -","2","1","","Cokoja, Mirza; Gemel, Christian; Steinke, Tobias; Schroder, Felicitas; Fischer, Roland A.","Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4.","Dalton transactions (Cambridge, England : 2003)","2005","","1","44","54","10.1039/b411727a","","","0.71073","MoKα","","0.1004","0.0518","","","0.1037","0.1171","","","","","","0.92","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000045","7.236","0.0015","14.786","0.003","17.167","0.003","94.238","0.002","91.125","0.002","95.144","0.002","1823.7","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H17 B Mn N4 O3.5 S2 -","- C13 H17 B Mn N4 O3.5 S2 -","- C52 H68 B4 Mn4 N16 O14 S8 -","4","2","","Graham, Leigh A.; Fout, Alison R.; Kuehne, Karl R.; White, Jennifer L.; Mookherji, Bhaskar; Marks, Fred M.; Yap, Glenn P. A.; Zakharov, Lev N.; Rheingold, Arnold L.; Rabinovich, Daniel","Manganese(I) poly(mercaptoimidazolyl)borate complexes: spectroscopic and structural characterization of Mn...H-B interactions in solution and in the solid state.","Dalton transactions (Cambridge, England : 2003)","2005","","1","171","180","10.1039/b412280a","","","0.71073","MoKα","","0.084","0.0618","","","0.1512","0.1658","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000046","17.7829","0.0011","7.214","0.0004","18.8722","0.0012","90","","117.263","0.001","90","","2152.1","0.2","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 B Mn N4 O3 S2 -","- C17 H24 B Mn N4 O3 S2 -","- C68 H96 B4 Mn4 N16 O12 S8 -","4","1","","Graham, Leigh A.; Fout, Alison R.; Kuehne, Karl R.; White, Jennifer L.; Mookherji, Bhaskar; Marks, Fred M.; Yap, Glenn P. A.; Zakharov, Lev N.; Rheingold, Arnold L.; Rabinovich, Daniel","Manganese(I) poly(mercaptoimidazolyl)borate complexes: spectroscopic and structural characterization of Mn...H-B interactions in solution and in the solid state.","Dalton transactions (Cambridge, England : 2003)","2005","","1","171","180","10.1039/b412280a","","","0.71073","MoKα","","0.0459","0.0418","","","0.1033","0.1066","","","","","","1.04","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000047","9.7388","0.0014","12.9984","0.0018","14.648","0.002","69.777","0.002","82.398","0.002","78.822","0.002","1702.7","0.4","170","2","443","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 B Mn N4 O3 S2 -","- C35 H32 B Mn N4 O3 S2 -","- C70 H64 B2 Mn2 N8 O6 S4 -","2","1","","Graham, Leigh A.; Fout, Alison R.; Kuehne, Karl R.; White, Jennifer L.; Mookherji, Bhaskar; Marks, Fred M.; Yap, Glenn P. A.; Zakharov, Lev N.; Rheingold, Arnold L.; Rabinovich, Daniel","Manganese(I) poly(mercaptoimidazolyl)borate complexes: spectroscopic and structural characterization of Mn...H-B interactions in solution and in the solid state.","Dalton transactions (Cambridge, England : 2003)","2005","","1","171","180","10.1039/b412280a","","","0.71073","MoKα","","0.0379","0.0321","","","0.0879","0.0909","","","","","","1.04","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000048","9.72","0.004","18.476","0.008","17.894","0.008","90","","91.915","0.007","90","","3212","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 B Mn N6 O3 S3 -","- C30 H29 B Mn N6 O3 S3 -","- C120 H116 B4 Mn4 N24 O12 S12 -","4","1","","Graham, Leigh A.; Fout, Alison R.; Kuehne, Karl R.; White, Jennifer L.; Mookherji, Bhaskar; Marks, Fred M.; Yap, Glenn P. A.; Zakharov, Lev N.; Rheingold, Arnold L.; Rabinovich, Daniel","Manganese(I) poly(mercaptoimidazolyl)borate complexes: spectroscopic and structural characterization of Mn...H-B interactions in solution and in the solid state.","Dalton transactions (Cambridge, England : 2003)","2005","","1","171","180","10.1039/b412280a","","","0.71073","MoKα","","0.1038","0.0587","","","0.1114","0.1276","","","","","","1.02","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000049","8.189","0.002","15.692","0.002","14.659","0.005","90","","105.65","0.02","90","","1813.9","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 B Mn N6 O3 S2 -","- C14 H14 B Mn N6 O3 S2 -","- C56 H56 B4 Mn4 N24 O12 S8 -","4","1","","Graham, Leigh A.; Fout, Alison R.; Kuehne, Karl R.; White, Jennifer L.; Mookherji, Bhaskar; Marks, Fred M.; Yap, Glenn P. A.; Zakharov, Lev N.; Rheingold, Arnold L.; Rabinovich, Daniel","Manganese(I) poly(mercaptoimidazolyl)borate complexes: spectroscopic and structural characterization of Mn...H-B interactions in solution and in the solid state.","Dalton transactions (Cambridge, England : 2003)","2005","","1","171","180","10.1039/b412280a","","","0.71073","MoKα","","0.0417","0.036","","","0.0949","0.099","","","","","","1.022","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000050","11.1345","0.0008","11.7348","0.0009","11.0707","0.0008","90","","107.605","0.002","90","","1378.76","0.18","150","","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H20 Au Cl N2 -","- C11 H20 Au Cl N2 -","- C44 H80 Au4 Cl4 N8 -","4","0.5","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.024","0.02","","0.024","","0.024","","","1.015","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000051","16.799","0.004","12.289","0.003","17.633","0.004","90","","90","","90","","3640.2","1.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H28 Au Br N2 O -","- C15 H28 Au Br N2 O -","- C120 H224 Au8 Br8 N16 O8 -","8","1","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.098","0.048","","0.069","","0.059","","","1.012","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000052","15.583","0.002","12.61","0.001","18.461","0.002","90","","90","","90","","3627.6","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H21 Au Br Cl3 N2 -","- C12 H21 Au Br Cl3 N2 -","- C96 H168 Au8 Br8 Cl24 N16 -","8","1","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.081","0.035","","0.049","","0.043","","","0.954","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000053","11.052","0.002","10.236","0.002","14.105","0.003","90","","110.776","0.003","90","","1491.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 Au I N2 -","- C11 H20 Au I N2 -","- C44 H80 Au4 I4 N8 -","4","1","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.078","0.063","","0.108","","0.1","","","1.025","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000054","6.7689","0.0006","15.073","0.001","14.497","0.001","90","","90.803","0.002","90","","1478.95","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Au N3 S -","- C12 H20 Au N3 S -","- C48 H80 Au4 N12 S4 -","4","1","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.062","0.039","","0.049","","0.045","","","1.09","","","1.16","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000055","7.6181","0.0009","9.83","0.001","10.83","0.001","81.402","0.003","82.135","0.003","75.279","0.003","771.42","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Au N3 Se -","- C12 H20 Au N3 Se -","- C24 H40 Au2 N6 Se2 -","2","1","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.073","0.056","","0.073","","0.068","","","0.959","","","1.012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000056","12.0971","0.0006","11.0236","0.0006","10.9938","0.0006","90","","103.898","0.001","90","","1423.14","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 Au N5 -","- C11 H20 Au N5 -","- C44 H80 Au4 N20 -","4","1","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.044","0.029","","0.053","","0.048","","","1.025","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000057","11.68","0.001","11.346","0.001","10.951","0.001","90","","101.574","0.002","90","","1421.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Au N3 O -","- C12 H20 Au N3 O -","- C48 H80 Au4 N12 O4 -","4","1","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.033","0.023","","0.039","","0.036","","","0.991","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000058","13.1458","0.0008","9.7248","0.0006","11.3223","0.0007","90","","91.456","0.002","90","","1446.98","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 Au N2 O2 -","- C13 H23 Au N2 O2 -","- C52 H92 Au4 N8 O8 -","4","1","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.045","0.028","","0.035","","0.033","","","0.981","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000059","6.9558","0.001","14.226","0.002","14.223","0.002","90","","97.402","0.004","90","","1395.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 Au N3 O3 -","- C11 H20 Au N3 O3 -","- C44 H80 Au4 N12 O12 -","4","1","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.045","0.032","","0.051","","0.047","","","1.062","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000060","20.434","0.004","10.082","0.002","13.601","0.004","90","","102.497","0.005","90","","2735.6","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 Au N2 -","- C12 H23 Au N2 -","- C96 H184 Au8 N16 -","8","2","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.041","0.028","","0.044","","0.041","","","0.984","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000061","12.6785","0.0008","12.6643","0.0008","17.52","0.001","90","","92.9","0.002","90","","2809.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Au N3 -","- C12 H20 Au N3 -","- C96 H160 Au8 N24 -","8","2","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.076","0.048","","0.075","","0.067","","","0.989","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000062","12.6801","0.0008","12.7062","0.0014","15.2062","0.0012","90","","92.868","0.006","90","","2446.9","0.4","173","","173","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Cl2 Cu N6 O10 -","- C16 H34 Cl2 Cu N6 O10 -","- C64 H136 Cl8 Cu4 N24 O40 -","4","1","","Siegfried, Liselotte; Comparone, Antonio; Neuburger, Markus; Kaden, Thomas A.","Selective metal promoted hydrolysis of nitrile groups in the side chain of tetraazamacrocyclic Cu2±complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","30","36","10.1039/b412857p","","","0.71073","MoKα","","0.0287","0.0287","","0.0298","0.0298","0.0298","","","","","","1.1229","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000063","9.4996","0.0011","12.3999","0.0015","21.391","0.002","90","","90","","90","","2519.7","0.5","173","","173","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl2 Cu N6 O9 -","- C18 H36 Cl2 Cu N6 O9 -","- C72 H144 Cl8 Cu4 N24 O36 -","4","1","","Siegfried, Liselotte; Comparone, Antonio; Neuburger, Markus; Kaden, Thomas A.","Selective metal promoted hydrolysis of nitrile groups in the side chain of tetraazamacrocyclic Cu2±complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","30","36","10.1039/b412857p","","","0.71073","MoKα","","0.0617","0.0609","","0.0636","0.0631","0.0631","","","","","","1.0765","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000064","13.2769","0.0003","16.8427","0.0003","19.9307","0.0004","105.132","0.0011","94.325","0.0009","112.972","0.0011","3881.53","0.14","173","","173","","","","","","","","?","6","P -1","-P 1","2","","","","- C16 H38 Cl2 Cu N6 O10 -","- C16 H36 Cl2 Cu N6 O10 -","- C96 H216 Cl12 Cu6 N36 O60 -","6","3","","Siegfried, Liselotte; Comparone, Antonio; Neuburger, Markus; Kaden, Thomas A.","Selective metal promoted hydrolysis of nitrile groups in the side chain of tetraazamacrocyclic Cu2±complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","30","36","10.1039/b412857p","","","0.71073","MoKα","","0.1025","0.0538","","0.069","0.0539","0.0539","","","","","","1.0604","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000065","21.4405","0.0002","9.608","0.0001","26.1887","0.0003","90","","92.7027","0.0007","90","","5388.88","0.1","173","","173","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H81.5 Cl6 Cu2 N12 O13.75 -","- C34 H79 Cl6 Cu2 N12 O13.75 -","- C136 H316 Cl24 Cu8 N48 O55 -","4","1","","Siegfried, Liselotte; Comparone, Antonio; Neuburger, Markus; Kaden, Thomas A.","Selective metal promoted hydrolysis of nitrile groups in the side chain of tetraazamacrocyclic Cu2±complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","30","36","10.1039/b412857p","","","0.71073","MoKα","","0.0386","0.0386","","0.0304","0.0304","0.0304","","","","","","1.2136","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000066","14.544","0.002","15.672","0.002","24.498","0.003","89.897","0.003","89.963","0.003","70.891","0.003","5276.2","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Compound 9","","","- C24 H20 Cl2 Ga N P2 Se2 -","- C24 H20 Cl2 Ga N P2 Se2 -","- C192 H160 Cl16 Ga8 N8 P16 Se16 -","8","4","","Muñoz-Hernández, Miguel-Angel; Montiel-Palma, Virginia; Huitrón-Rattinger, Estefanía; Cortés-Llamas, Sara; Tiempos-Flores, Norma; Grevy, Jean-Michel; Silvestru, Cristian; Power, Philip","Dichloro and alkylchloro gallium derivatives of dichalcogenoimidodiphosphinate ligands: isolation of a spirogallium cation.","Dalton transactions (Cambridge, England : 2003)","2005","","1","193","199","10.1039/b412874e","","","0.71073","MoKα","","0.0656","0.0484","","","0.125","0.1331","","","","","","1.067","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000067","9.3056","0.001","9.6427","0.001","14.6899","0.0015","76.044","0.002","73.046","0.002","62.095","0.002","1105.7","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","Compound 4","","","- C16 H20 Cl2 Ga N O3 P2 S -","- C16 H20 Cl2 Ga N O3 P2 S -","- C32 H40 Cl4 Ga2 N2 O6 P4 S2 -","2","1","","Muñoz-Hernández, Miguel-Angel; Montiel-Palma, Virginia; Huitrón-Rattinger, Estefanía; Cortés-Llamas, Sara; Tiempos-Flores, Norma; Grevy, Jean-Michel; Silvestru, Cristian; Power, Philip","Dichloro and alkylchloro gallium derivatives of dichalcogenoimidodiphosphinate ligands: isolation of a spirogallium cation.","Dalton transactions (Cambridge, England : 2003)","2005","","1","193","199","10.1039/b412874e","","","0.71073","MoKα","","0.0722","0.0522","","","0.171","0.1826","","","","","","0.878","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000068","9.4244","0.0007","9.9156","0.0007","11.1223","0.0008","86.42","0.001","85.512","0.001","73.493","0.001","992.59","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Compound 5","","","- C14 H16 Cl2 Ga N P2 S2 -","- C14 H16 Cl2 Ga N P2 S2 -","- C28 H32 Cl4 Ga2 N2 P4 S4 -","2","1","","Muñoz-Hernández, Miguel-Angel; Montiel-Palma, Virginia; Huitrón-Rattinger, Estefanía; Cortés-Llamas, Sara; Tiempos-Flores, Norma; Grevy, Jean-Michel; Silvestru, Cristian; Power, Philip","Dichloro and alkylchloro gallium derivatives of dichalcogenoimidodiphosphinate ligands: isolation of a spirogallium cation.","Dalton transactions (Cambridge, England : 2003)","2005","","1","193","199","10.1039/b412874e","","","0.71073","MoKα","","0.0314","0.0282","","","0.0769","0.0781","","","","","","1.074","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000069","15.2636","0.0018","17.995","0.002","18.335","0.002","90","","90","","90","","5036","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Compound 7","","","- C25 H23 Cl Ga N P2 S2 -","- C25 H23 Cl Ga N P2 S2 -","- C200 H184 Cl8 Ga8 N8 P16 S16 -","8","1","","Muñoz-Hernández, Miguel-Angel; Montiel-Palma, Virginia; Huitrón-Rattinger, Estefanía; Cortés-Llamas, Sara; Tiempos-Flores, Norma; Grevy, Jean-Michel; Silvestru, Cristian; Power, Philip","Dichloro and alkylchloro gallium derivatives of dichalcogenoimidodiphosphinate ligands: isolation of a spirogallium cation.","Dalton transactions (Cambridge, England : 2003)","2005","","1","193","199","10.1039/b412874e","","","0.71073","MoKα","","0.0566","0.0514","","","0.1427","0.1458","","","","","","1.107","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000070","10.7275","0.0012","16.0085","0.0017","15.2662","0.0017","90","","98.097","0.002","90","","2595.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Compound 2","","","- C24 H20 Cl2 Ga N P2 S2 -","- C24 H20 Cl2 Ga N P2 S2 -","- C96 H80 Cl8 Ga4 N4 P8 S8 -","4","1","","Muñoz-Hernández, Miguel-Angel; Montiel-Palma, Virginia; Huitrón-Rattinger, Estefanía; Cortés-Llamas, Sara; Tiempos-Flores, Norma; Grevy, Jean-Michel; Silvestru, Cristian; Power, Philip","Dichloro and alkylchloro gallium derivatives of dichalcogenoimidodiphosphinate ligands: isolation of a spirogallium cation.","Dalton transactions (Cambridge, England : 2003)","2005","","1","193","199","10.1039/b412874e","","","0.71073","MoKα","","0.0711","0.0657","","","0.1539","0.158","","","","","","1.028","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000071","4.1556","0.0009","11.1309","0.0019","11.269","0.002","113.459","0.017","92.808","0.016","99.058","0.016","468.61","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 Cl N4 -","- C10 H7 Cl N4 -","- C20 H14 Cl2 N8 -","2","1","","Burton-Pye, Benjamin P; Heath, Sarah L.; Faulkner, Stephen","Synthesis and luminescence properties of lanthanide complexes incorporating a hydralazine-derived chromophore.","Dalton transactions (Cambridge, England : 2003)","2005","","1","146","149","10.1039/b413005g","","","0.71073","MoKα","","0.0824","0.0504","","","0.128","0.1397","","","","","","0.864","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000072","9.6206","0.0004","23.1706","0.001","15.5767","0.0007","90","","95.203","0.001","90","","3458","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1","","","- C33 H55 F6 P3 Ru -","- C33 H55 F6 P3 Ru -","- C132 H220 F24 P12 Ru4 -","4","1","","Duraczyńska, Dorota; Nelson, John H.","Phosphaallyl complexes of Ru(II) derived from dicyclohexylvinylphosphine (DCVP).","Dalton transactions (Cambridge, England : 2003)","2005","","1","92","103","10.1039/b413446j","","","0.71073","MoKα","","0.0625","0.0547","","","0.1595","0.1732","","","","","","1.031","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000073","10.1094","0.0014","12.8338","0.0014","17.61","0.002","101.606","0.011","100.011","0.014","113.171","0.011","1974.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","2","","","- C35 H59 Cl2 F6 P3 Ru -","- C35 H59 Cl2 F6 P3 Ru -","- C70 H118 Cl4 F12 P6 Ru2 -","2","1","","Duraczyńska, Dorota; Nelson, John H.","Phosphaallyl complexes of Ru(II) derived from dicyclohexylvinylphosphine (DCVP).","Dalton transactions (Cambridge, England : 2003)","2005","","1","92","103","10.1039/b413446j","","","0.71073","MoKα","","0.1354","0.0721","","","0.1488","0.1825","","","","","","1.048","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000074","9.6199","0.0006","12.0564","0.0008","13.1906","0.0008","72.123","0.001","75.256","0.001","69.102","0.001","1342.01","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","3","","","- C29 H36 F6 O P2 -","- C29 H36 F6 O P2 -","- C58 H72 F12 O2 P4 -","2","1","","Duraczyńska, Dorota; Nelson, John H.","Phosphaallyl complexes of Ru(II) derived from dicyclohexylvinylphosphine (DCVP).","Dalton transactions (Cambridge, England : 2003)","2005","","1","92","103","10.1039/b413446j","","","0.71073","MoKα","","0.1265","0.0657","","","0.1885","0.2033","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000075","7.934","0.007","12.17","0.02","17.83","0.04","90","","100.6","0.14","90","","1692","5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9","","","- C28 H52 F12 P4 -","- C28 H52 F12 P4 -","- C56 H104 F24 P8 -","2","0.5","","Duraczyńska, Dorota; Nelson, John H.","Phosphaallyl complexes of Ru(II) derived from dicyclohexylvinylphosphine (DCVP).","Dalton transactions (Cambridge, England : 2003)","2005","","1","92","103","10.1039/b413446j","","","0.71073","MoKα","","0.0773","0.0588","","","0.1455","0.1573","","","","","","1.006","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000076","7.3591","0.0013","17.738","0.003","16.924","0.003","90","","92.011","0.015","90","","2207.8","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","10","","","- C21 H32 Br O P Ru -","- C21 H31 Br O P Ru -","- C84 H124 Br4 O4 P4 Ru4 -","4","1","","Duraczyńska, Dorota; Nelson, John H.","Phosphaallyl complexes of Ru(II) derived from dicyclohexylvinylphosphine (DCVP).","Dalton transactions (Cambridge, England : 2003)","2005","","1","92","103","10.1039/b413446j","","","0.71073","MoKα","","0.1956","0.1034","","","0.2604","0.3276","","","","","","1.06","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000077","14.281","0.003","11.664","0.002","16.326","0.003","90","","97.389","0.013","90","","2696.9","0.9","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","11","","","- C23 H31 F6 N O P2 Ru -","- C23 H31 F6 N O P2 Ru -","- C92 H124 F24 N4 O4 P8 Ru4 -","4","1","","Duraczyńska, Dorota; Nelson, John H.","Phosphaallyl complexes of Ru(II) derived from dicyclohexylvinylphosphine (DCVP).","Dalton transactions (Cambridge, England : 2003)","2005","","1","92","103","10.1039/b413446j","","","0.71073","MoKα","","0.1253","0.0575","","","0.1294","0.1622","","","","","","1.017","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000078","13.309","0.004","14.461","0.004","15.945","0.005","90","","108.71","0.04","90","","2906.6","1.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","12","","","- C27 H31 F6 N O P2 Ru -","- C27 H31 F6 N O P2 Ru -","- C108 H124 F24 N4 O4 P8 Ru4 -","4","1","","Duraczyńska, Dorota; Nelson, John H.","Phosphaallyl complexes of Ru(II) derived from dicyclohexylvinylphosphine (DCVP).","Dalton transactions (Cambridge, England : 2003)","2005","","1","92","103","10.1039/b413446j","","","0.71073","MoKα","","0.171","0.0769","","","0.1546","0.1965","","","","","","1.015","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000079","10.8398","0.0018","19.6539","0.0018","16.9986","0.0015","90","","104.883","0.009","90","","3500","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","13A","","","- C35.5 H33 F6 O1.5 P3 Ru -","- C35.5 H33 F6 O1.5 P3 Ru -","- C142 H132 F24 O6 P12 Ru4 -","4","1","","Duraczyńska, Dorota; Nelson, John H.","Phosphaallyl complexes of Ru(II) derived from dicyclohexylvinylphosphine (DCVP).","Dalton transactions (Cambridge, England : 2003)","2005","","1","92","103","10.1039/b413446j","","","0.71073","MoKα","","0.1266","0.0665","","","0.1565","0.1895","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000080","11.119","0.002","27.564","0.005","12.1072","0.0019","90","","94.171","0.015","90","","3700.8","1.1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","14A","","","- C37 H41 F6 O P3 Ru -","- C37 H41 F6 O P3 Ru -","- C148 H164 F24 O4 P12 Ru4 -","4","1","","Duraczyńska, Dorota; Nelson, John H.","Phosphaallyl complexes of Ru(II) derived from dicyclohexylvinylphosphine (DCVP).","Dalton transactions (Cambridge, England : 2003)","2005","","1","92","103","10.1039/b413446j","","","0.71073","MoKα","","0.1451","0.0684","","","0.1325","0.1622","","","","","","1.02","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000081","8.2367","0.0006","15.3163","0.0012","18.7672","0.0014","90","","91.229","0.001","90","","2367","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 F6 N3 Ni O2 P -","- C20 H32 F6 N3 Ni O2 P -","- C80 H128 F24 N12 Ni4 O8 P4 -","4","1","","Santana, M. Dolores; Lozano, A. Abel; Garcia, Gabriel; Lopez, Gregorio; Perez, Jose","Five-coordinate nickel(II) complexes with carboxylate anions and derivatives of 1,5,9-triazacyclododec-1-ene: structural and 1H NMR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2005","","1","104","109","10.1039/b413547d","","","0.71073","MoKα","","0.0733","0.0703","","","0.1743","0.1766","","","","","","1.083","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000082","8.334","0.0011","15.805","0.002","18.376","0.002","90","","90","","90","","2420.5","0.5","100","2","100","2","","","","","","","","7","P 21 c n","P -2n 2a","33","","","","- C20 H32 F6 N3 Ni O3 P -","- C20 H32 F6 N3 Ni O3 P -","- C80 H128 F24 N12 Ni4 O12 P4 -","4","1","","Santana, M. Dolores; Lozano, A. Abel; Garcia, Gabriel; Lopez, Gregorio; Perez, Jose","Five-coordinate nickel(II) complexes with carboxylate anions and derivatives of 1,5,9-triazacyclododec-1-ene: structural and 1H NMR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2005","","1","104","109","10.1039/b413547d","","","0.71073","MoKα","","0.0563","0.0531","","","0.1253","0.127","","","","","","1.155","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000083","8.2175","0.0004","15.2313","0.0008","10.7289","0.0005","90","","98.82","0.001","90","","1326.98","0.11","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H36 F6 N3 Ni O5 P -","- C22 H36 F6 N3 Ni O5 P -","- C44 H72 F12 N6 Ni2 O10 P2 -","2","1","","Santana, M. Dolores; Lozano, A. Abel; Garcia, Gabriel; Lopez, Gregorio; Perez, Jose","Five-coordinate nickel(II) complexes with carboxylate anions and derivatives of 1,5,9-triazacyclododec-1-ene: structural and 1H NMR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2005","","1","104","109","10.1039/b413547d","","","0.71073","MoKα","","0.0411","0.0405","","","0.1125","0.1129","","","","","","1.057","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000084","14.2496","0.0002","14.3706","0.0002","23.831","0.0003","90","","104.378","0.001","90","","4727.15","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Fe6O2(OH)2(benz)10(dipaH2)2).5.5MeCN.H2O","","","- C93 H96.5 Fe6 N7.5 O29 -","- C85 H82.5 Fe6 N3.5 O29 -","- C170 H165 Fe12 N7 O58 -","2","0.5","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Cashion, John D.; Berry, Kevin J.; Murray, Keith S.","The role of diisopropanolamine (dipaH3) in cluster dimerisation and polymerisation: from spin frustrated S= 5 FeIII 6 clusters to the novel 1-D covalent polymer of mixed valence [CoII3CoIII] tetramers.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3344","3352","10.1039/b504270d","","","0.71073","MoKα","","0.0729","0.0499","","","0.1466","0.1576","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7000085","20.6547","0.0002","19.9776","0.0002","21.4828","0.0002","90","","90","","90","","8864.48","0.15","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Fe6O2(OH)2(piv)10(dipaH2)2).2MeCN.3H2O","","","- C66 H132 Fe6 N4 O31 -","- C62 H124 Fe6 N2 O30 -","- C248 H496 Fe24 N8 O120 -","4","0.5","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Cashion, John D.; Berry, Kevin J.; Murray, Keith S.","The role of diisopropanolamine (dipaH3) in cluster dimerisation and polymerisation: from spin frustrated S= 5 FeIII 6 clusters to the novel 1-D covalent polymer of mixed valence [CoII3CoIII] tetramers.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3344","3352","10.1039/b504270d","","","0.71073","MoKα","","0.0755","0.054","","","0.1586","0.1679","","","","","","1.106","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000086","16.9246","0.0001","20.066","0.0002","17.27","0.0002","90","","104.03","","90","","5690.09","0.09","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H89 Co4 N4 O17 -","- C42 H83 Co4 N2 O17 -","- C168 H332 Co16 N8 O68 -","4","1","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Cashion, John D.; Berry, Kevin J.; Murray, Keith S.","The role of diisopropanolamine (dipaH3) in cluster dimerisation and polymerisation: from spin frustrated S= 5 FeIII 6 clusters to the novel 1-D covalent polymer of mixed valence [CoII3CoIII] tetramers.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3344","3352","10.1039/b504270d","","","0.71073","MoKα","","0.0714","0.0547","","","0.1476","0.1561","","","","","","1.069","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000087","7.532","0.002","8.081","0.003","8.721","0.003","90","","90","","90","","530.8","0.3","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C H5 F O4 P Sc -","- C H5 F O4 P Sc -","- C4 H20 F4 O16 P4 Sc4 -","4","1","","Miller, Stuart R.; Lear, Emily; Gonzalez, Jorge; Slawin, Alexandra M. Z.; Wright, Paul A.; Guillou, Nathalie; Férey, Gérard","Synthesis and structure of the framework scandium methylphosphonates ScF(H2O)CH3PO3 and NaSc(CH3PO3)2.0.5H2O.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3319","3325","10.1039/b504466a","","","0.71073","MoKα","","0.0169","0.0157","","","0.0369","0.0375","","","","","","1.053","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000088","17.79734","0.00008","17.79734","0.00008","5.38859","0.00003","90","","90","","90","","1706.81","0.014","293","","293","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C2 H7 Na O6.5 P2 Sc -","- C2 H6 Na O6.25 P2 Sc -","- C16 H48 Na8 O50 P16 Sc8 -","8","1","","Miller, Stuart R.; Lear, Emily; Gonzalez, Jorge; Slawin, Alexandra M. Z.; Wright, Paul A.; Guillou, Nathalie; Férey, Gérard","Synthesis and structure of the framework scandium methylphosphonates ScF(H2O)CH3PO3 and NaSc(CH3PO3)2.0.5H2O.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3319","3325","10.1039/b504466a","powder diffraction","","0.6325","X-ray","","","","","","","","","7.7395","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000089","25.253","0.028","17.104","0.019","10.541","0.013","90","","112.56","0.01","90","","4205","8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 F12 Fe2 N4 P2 -","- C40 H46 F12 Fe2 N4 P2 -","- C160 H184 F48 Fe8 N16 P8 -","4","0.5","","Cui, Xiuling; Delgado, Rita; Carapuça, Helena M; Drew, Michael G. B.; Félix, Vítor","Carboxylate anions binding and sensing by a novel tetraazamacrocycle containing ferrocene as receptor.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3297","3306","10.1039/b506572k","","","0.71073","MoKα","","0.2017","0.1163","","","0.2067","0.2413","","","","","","1.035","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000090","9.68","0.011","11.633","0.013","13.107","0.016","100.69","0.01","109.56","0.01","96.92","0.01","1340","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H68 Fe2 N4 O12 -","- C58 H68 Fe2 N4 O12 -","- C58 H68 Fe2 N4 O12 -","1","0.5","","Cui, Xiuling; Delgado, Rita; Carapuça, Helena M; Drew, Michael G. B.; Félix, Vítor","Carboxylate anions binding and sensing by a novel tetraazamacrocycle containing ferrocene as receptor.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3297","3306","10.1039/b506572k","","","0.71073","MoKα","","0.0823","0.0603","","","0.1173","0.1244","","","","","","1.097","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000091","11.443","0.013","18.95","0.02","15.74","0.017","90","","104.86","0.01","90","","3299","6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H80 Fe2 N4 O12 S4 -","- C64 H80 Fe2 N4 O12 S4 -","- C128 H160 Fe4 N8 O24 S8 -","2","0.5","","Cui, Xiuling; Delgado, Rita; Carapuça, Helena M; Drew, Michael G. B.; Félix, Vítor","Carboxylate anions binding and sensing by a novel tetraazamacrocycle containing ferrocene as receptor.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3297","3306","10.1039/b506572k","","","0.71073","MoKα","","0.1316","0.0954","","","0.2354","0.2539","","","","","","0.883","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000092","9.541","0.002","10.73","0.002","25.185","0.006","90","","95.92","0.02","90","","2564.6","0.9","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H76 Cl2 N8 Ni P4 -","- C39 H72 Cl2 N8 Ni P4 -","- C78 H144 Cl4 N16 Ni2 P8 -","2","0.5","","Schranz, Ingo; Lief, Graham R.; Carrow, Christopher J.; Haagenson, Dana C.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.; Boomishankar, Ramamoorthy; Steiner, Alexander","Reversal of polarization in amidophosphines: neutral- and anionic-kappaP coordination vs. anionic-kappaP,N coordination and the formation of nickelaazaphosphiranes.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3307","3318","10.1039/b507040f","","","0.71073","MoKα","","0.0972","0.0561","","","0.1353","0.145","","","","","","1.014","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000093","7.3453","0.001","11.4847","0.0015","10.8061","0.0014","90","","90.99","0.002","90","","911.5","0.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl2 Ni P2 -","- C12 H30 Cl2 Ni P2 -","- C24 H60 Cl4 Ni2 P4 -","2","0.5","","Schranz, Ingo; Lief, Graham R.; Carrow, Christopher J.; Haagenson, Dana C.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.; Boomishankar, Ramamoorthy; Steiner, Alexander","Reversal of polarization in amidophosphines: neutral- and anionic-kappaP coordination vs. anionic-kappaP,N coordination and the formation of nickelaazaphosphiranes.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3307","3318","10.1039/b507040f","","","0.71073","MoKα","","0.0332","0.0291","","","0.1005","0.1058","","","","","","0.753","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000094","10.8581","0.0013","21.494","0.003","15.1459","0.0017","90","","93.934","0.002","90","","3526.5","0.8","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H60 Cl N3 Ni P2 Si -","- C26 H60 Cl N3 Ni P2 Si -","- C104 H240 Cl4 N12 Ni4 P8 Si4 -","4","1","","Schranz, Ingo; Lief, Graham R.; Carrow, Christopher J.; Haagenson, Dana C.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.; Boomishankar, Ramamoorthy; Steiner, Alexander","Reversal of polarization in amidophosphines: neutral- and anionic-kappaP coordination vs. anionic-kappaP,N coordination and the formation of nickelaazaphosphiranes.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3307","3318","10.1039/b507040f","","","0.71073","MoKα","","0.07","0.0517","","","0.154","0.166","","","","","","1.003","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000095","9.2122","0.0013","33.045","0.005","12.3486","0.0016","90","","109.808","0.01","90","","3536.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H54 N6 P2 Si2 -","- C26 H54 N6 P2 Si2 -","- C104 H216 N24 P8 Si8 -","4","1","","Schranz, Ingo; Lief, Graham R.; Carrow, Christopher J.; Haagenson, Dana C.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.; Boomishankar, Ramamoorthy; Steiner, Alexander","Reversal of polarization in amidophosphines: neutral- and anionic-kappaP coordination vs. anionic-kappaP,N coordination and the formation of nickelaazaphosphiranes.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3307","3318","10.1039/b507040f","","","0.71073","MoKα","","0.0693","0.0588","","","0.1668","0.1772","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000096","12.225","0.003","16.783","0.004","32.714","0.007","90","","90","","90","","6712","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H54 N6 P2 Si2 -","- C26 H53 N6 P2 Si2 -","- C208 H424 N48 P16 Si16 -","8","1","","Schranz, Ingo; Lief, Graham R.; Carrow, Christopher J.; Haagenson, Dana C.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.; Boomishankar, Ramamoorthy; Steiner, Alexander","Reversal of polarization in amidophosphines: neutral- and anionic-kappaP coordination vs. anionic-kappaP,N coordination and the formation of nickelaazaphosphiranes.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3307","3318","10.1039/b507040f","","","0.71073","MoKα","","0.0813","0.0547","","","0.1352","0.1533","","","","","","1.037","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000097","10.6331","0.0013","15.7716","0.0015","25.212","0.002","90","","93.343","0.008","90","","4220.9","0.7","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H61 Cl N6 Ni P2 Si2 -","- C33 H61 Cl N6 Ni P2 Si2 -","- C132 H244 Cl4 N24 Ni4 P8 Si8 -","4","1","","Schranz, Ingo; Lief, Graham R.; Carrow, Christopher J.; Haagenson, Dana C.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.; Boomishankar, Ramamoorthy; Steiner, Alexander","Reversal of polarization in amidophosphines: neutral- and anionic-kappaP coordination vs. anionic-kappaP,N coordination and the formation of nickelaazaphosphiranes.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3307","3318","10.1039/b507040f","","","0.71073","MoKα","","0.0566","0.052","","","0.1397","0.1444","","","","","","1.035","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000098","11.4153","0.0015","12.2457","0.0016","16.145","0.002","79.259","0.002","79.351","0.002","69.353","0.002","2057.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H67 N6 Ni P3 Si2 -","- C32 H67 N6 Ni P3 Si2 -","- C64 H134 N12 Ni2 P6 Si4 -","2","1","","Schranz, Ingo; Lief, Graham R.; Carrow, Christopher J.; Haagenson, Dana C.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.; Boomishankar, Ramamoorthy; Steiner, Alexander","Reversal of polarization in amidophosphines: neutral- and anionic-kappaP coordination vs. anionic-kappaP,N coordination and the formation of nickelaazaphosphiranes.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3307","3318","10.1039/b507040f","","","0.71073","MoKα","","0.0822","0.0505","","","0.1213","0.1297","","","","","","0.946","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000099","12.351","0.003","4.9484","0.001","14.51","0.003","90","","92.552","0.003","90","","885.9","0.3","150","","150","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C H8 Ga N -","- C H8 Ga N -","- C8 H64 Ga8 N8 -","8","1","","Marchant, Sarah; Tang, Christina Y.; Downs, Anthony J.; Greene, Tim M.; Himmel, Hans-Jörg; Parsons, Simon","Synthesis and structural characterisation of primary amine adducts of gallane, RH2N.GaH3, and of their decomposition products, [RHNGaH2]n(R = Me, n= 3; R =tBu, n= 2).","Dalton transactions (Cambridge, England : 2003)","2005","","20","3281","3290","10.1039/b508057f","","","0.71073","MoKα","","0.0254","0.022","","0.0543","0.0534","0.0543","","","","","","0.9947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000100","16.223","0.002","7.9767","0.0011","6.0427","0.001","90","","90","","90","","781.96","0.19","220","","220","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H14 Ga N -","- C4 H14 Ga N -","- C16 H56 Ga4 N4 -","4","0.5","","Marchant, Sarah; Tang, Christina Y.; Downs, Anthony J.; Greene, Tim M.; Himmel, Hans-Jörg; Parsons, Simon","Synthesis and structural characterisation of primary amine adducts of gallane, RH2N.GaH3, and of their decomposition products, [RHNGaH2]n(R = Me, n= 3; R =tBu, n= 2).","Dalton transactions (Cambridge, England : 2003)","2005","","20","3281","3290","10.1039/b508057f","","","0.71073","MoKα","","0.0634","0.0467","","0.1212","0.1174","0.1212","","","","","","0.8755","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7000101","24.699","0.006","5.3158","0.0013","8.711","0.002","90","","90","","90","","1143.7","0.5","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H18 Ga3 N3 -","- C3 H18 Ga3 N3 -","- C12 H72 Ga12 N12 -","4","1","","Marchant, Sarah; Tang, Christina Y.; Downs, Anthony J.; Greene, Tim M.; Himmel, Hans-Jörg; Parsons, Simon","Synthesis and structural characterisation of primary amine adducts of gallane, RH2N.GaH3, and of their decomposition products, [RHNGaH2]n(R = Me, n= 3; R =tBu, n= 2).","Dalton transactions (Cambridge, England : 2003)","2005","","20","3281","3290","10.1039/b508057f","","","0.71073","MoKα","","0.0394","0.0372","","0.0938","0.0929","0.0938","","","","","","1.0008","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000102","10.063","0.0015","16.964","0.002","7.959","0.0011","90","","90","","90","","1358.7","0.3","150","","150","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H24 Ga2 N2 -","- C8 H24 Ga2 N2 -","- C32 H96 Ga8 N8 -","4","0.5","","Marchant, Sarah; Tang, Christina Y.; Downs, Anthony J.; Greene, Tim M.; Himmel, Hans-Jörg; Parsons, Simon","Synthesis and structural characterisation of primary amine adducts of gallane, RH2N.GaH3, and of their decomposition products, [RHNGaH2]n(R = Me, n= 3; R =tBu, n= 2).","Dalton transactions (Cambridge, England : 2003)","2005","","20","3281","3290","10.1039/b508057f","","","0.71073","MoKα","","0.0767","0.0604","","0.1362","0.1294","0.1362","","","","","","1.0699","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000103","13.856","0.003","13.981","0.003","15.252","0.003","64.18","0.03","73.81","0.03","61.41","0.03","2326.1","1.2","149","2","149","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H136 Ge8 O13 -","- C88 H136 Ge8 O13 -","- C88 H136 Ge8 O13 -","1","0.5","","Schnepf, Andreas; Drost, Christian","Ge8R6: the ligands define the bonding situation within the cluster core.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3277","3280","10.1039/b508379f","","","0.71073","MoKα","","0.0775","0.038","","","0.0742","0.0837","","","","","","0.955","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000104","10.042","0.002","12.137","0.002","17.962","0.004","90.49","0.03","90.97","0.03","107.26","0.03","2090.1","0.8","149","2","149","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H63 Br Ge O6 -","- C42 H63 Br Ge O6 -","- C84 H126 Br2 Ge2 O12 -","2","1","","Schnepf, Andreas; Drost, Christian","Ge8R6: the ligands define the bonding situation within the cluster core.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3277","3280","10.1039/b508379f","","","0.71073","MoKα","","0.0383","0.0352","","","0.1016","0.1038","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000105","17.592","0.002","22.333","0.003","16.92","0.002","90","","96.097","0.002","90","","6610","1.4","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 Cl12 N2 P4 Pd2 -","- C55 H46 Cl6 N2 P4 Pd2 -","- C220 H184 Cl24 N8 P16 Pd8 -","4","1","","Majoumo-Mbe, Félicité; Lönnecke, Peter; Novikova, Elena V.; Belov, Gennadiy P.; Hey-Hawkins, Evamarie","Oligodentate P,N ligands: N,N,N',N'-tetrakis(diphenylphosphanyl)-1,3-diaminobenzene complexes of rhodium, nickel and palladium.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3326","3330","10.1039/b508537c","","","0.71073","MoKα","","0.0697","0.0443","","","0.1226","0.1342","","","","","","1.048","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000106","15.488","0.002","15.488","0.002","58.128","0.011","90","","90","","90","","13944","4","208","2","208","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C58.5 H53 Br4 Cl9 N2 Ni2 P4 -","- C58.5 H53 Br4 Cl9 N2 Ni2 P4 -","- C468 H424 Br32 Cl72 N16 Ni16 P32 -","8","1","","Majoumo-Mbe, Félicité; Lönnecke, Peter; Novikova, Elena V.; Belov, Gennadiy P.; Hey-Hawkins, Evamarie","Oligodentate P,N ligands: N,N,N',N'-tetrakis(diphenylphosphanyl)-1,3-diaminobenzene complexes of rhodium, nickel and palladium.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3326","3330","10.1039/b508537c","","","0.71073","MoKα","","0.1541","0.1071","","","0.2411","0.2641","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000107","10.028","0.003","11.413","0.003","16.835","0.004","72.85","0.003","88.883","0.003","73.213","0.003","1758.1","0.8","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Cl2 Cu N9 O6 P3 -","- C30 H24 Cl2 Cu N9 O6 P3 -","- C60 H48 Cl4 Cu2 N18 O12 P6 -","2","1","","Ainscough, Eric W.; Brodie, Andrew M.; Depree, Craig V.; Moubaraki, Boujemaa; Murray, Keith S.; Otter, Carl A.","Copper(II) chloride complexes with multimodal ligands based on the cyclotriphosphazene platform.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3337","3343","10.1039/b508620e","","","0.71073","MoKα","","0.0546","0.0408","","","0.102","0.1087","","","","","","1.06","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000108","27.4168","0.001","14.594","0.0005","10.9247","0.0004","90","","90","","90","","4371.2","0.3","203","2","203","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C32 H28 Cl5 Cu F6 N9 O6 P4 -","- C32 H28 Cl5 Cu F6 N9 O6 P4 -","- C128 H112 Cl20 Cu4 F24 N36 O24 P16 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Depree, Craig V.; Moubaraki, Boujemaa; Murray, Keith S.; Otter, Carl A.","Copper(II) chloride complexes with multimodal ligands based on the cyclotriphosphazene platform.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3337","3343","10.1039/b508620e","","","0.71073","MoKα","","0.055","0.0393","","","0.0774","0.0859","","","","","","1.087","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000109","26.215","0.008","17.897","0.005","16.594","0.004","90","","121.937","0.004","90","","6607","3","168","2","168","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37.75 H37.75 Cl9.25 Cu2 N9 O6 P3 -","- C36 H36 Cl4 Cu2 N9 O6 P3 -","- C144 H144 Cl16 Cu8 N36 O24 P12 -","4","0.5","","Ainscough, Eric W.; Brodie, Andrew M.; Depree, Craig V.; Moubaraki, Boujemaa; Murray, Keith S.; Otter, Carl A.","Copper(II) chloride complexes with multimodal ligands based on the cyclotriphosphazene platform.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3337","3343","10.1039/b508620e","","","0.71073","MoKα","","0.0436","0.0376","","","0.1079","0.1106","","","","","","1.107","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000110","24.681","0.0003","9.238","0.0001","25.228","0.0003","90","","108.815","0.0006","90","","5444.7","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H67 F3 O2 P4 Pd2 -","- C60 H67 F3 O2 P4 Pd2 -","- C240 H268 F12 O8 P16 Pd8 -","4","0.5","","Braun, Thomas; Steffen, Andreas; Schorlemer, Verena; Neumann, Beate; Stammler, Hans-Georg","Routes to unique palladium A-frame complexes with a bridging fluoro-ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3331","3336","10.1039/b509032f","","","0.71073","MoKα","","0.0327","0.0259","","","0.0607","0.0633","","","","","","1.033","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000111","20.948","0.003","10.53","0.001","15.012","0.001","90","","90","","90","","3311.4","0.6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H38 B Cl2 N7 Si U -","- C26 H38 B Cl2 N7 Si U -","- C104 H152 B4 Cl8 N28 Si4 U4 -","4","1","","Silva, Manuela; Antunes, Maria Augusta; Dias, Marta; Domingos, Angela; dos Santos, Isabel Cordeiro; Marçalo, Joaquim; Marques, Noémia","The uranium-nitrogen bond in U IV complexes supported by the hydrotris(3,5-dimethylpyrazolyl)borate ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3353","3358","10.1039/b509229a","","","0.71073","MoKα","","0.1539","0.0682","","","0.0931","0.1177","","","","","","1.062","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000112","10.942","0.005","17.31","0.003","14.541","0.005","90","0.005","109.01","0.03","90","0.005","2603.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 B Cl2 N7 U -","- C19 H32 B Cl2 N7 U -","- C76 H128 B4 Cl8 N28 U4 -","4","1","","Silva, Manuela; Antunes, Maria Augusta; Dias, Marta; Domingos, Angela; dos Santos, Isabel Cordeiro; Marçalo, Joaquim; Marques, Noémia","The uranium-nitrogen bond in U IV complexes supported by the hydrotris(3,5-dimethylpyrazolyl)borate ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3353","3358","10.1039/b509229a","","","0.71069","MoKα","","0.1206","0.0624","","","0.1225","0.1373","","","","","","0.954","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000113","8.1647","0.0011","10.2881","0.0011","18.947","0.002","75.667","0.009","88.415","0.011","78.416","0.01","1510.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 B Cl2 N7 U -","- C27 H32 B Cl2 N7 U -","- C54 H64 B2 Cl4 N14 U2 -","2","1","","Silva, Manuela; Antunes, Maria Augusta; Dias, Marta; Domingos, Angela; dos Santos, Isabel Cordeiro; Marçalo, Joaquim; Marques, Noémia","The uranium-nitrogen bond in U IV complexes supported by the hydrotris(3,5-dimethylpyrazolyl)borate ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3353","3358","10.1039/b509229a","","","0.71069","MoKα","","0.1762","0.0792","","","0.0855","0.101","","","","","","0.942","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000114","11.7088","0.0003","14.6661","0.0005","12.4843","0.0004","90","","93.147","0.001","90","","2140.6","0.11","158.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Cl Cu N3 O4 -","- C22 H25 Cl Cu N3 O4 -","- C88 H100 Cl4 Cu4 N12 O16 -","4","1","","Osako, Takao; Terada, Shohei; Tosha, Takehiko; Nagatomo, Shigenori; Furutachi, Hideki; Fujinami, Shuhei; Kitagawa, Teizo; Suzuki, Masatatsu; Itoh, Shinobu","Structure and dioxygen-reactivity of copper(I) complexes supported by bis(6-methylpyridin-2-ylmethyl)amine tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3514","3521","10.1039/b500202h","","","0.7107","MoKα","","","0.044","","","","0.072","","","","","","1.48","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000115","7.715","0.004","8.887","0.006","9.361","0.006","83.77","0.03","88.29","0.02","75.93","0.03","618.9","0.7","158.2","","","","","","","","","","","6","P 1","P 1","1","","","","- C28 H29 Cl Cu N3 O4 -","- C28 H29 Cl Cu N3 O4 -","- C28 H29 Cl Cu N3 O4 -","1","1","","Osako, Takao; Terada, Shohei; Tosha, Takehiko; Nagatomo, Shigenori; Furutachi, Hideki; Fujinami, Shuhei; Kitagawa, Teizo; Suzuki, Masatatsu; Itoh, Shinobu","Structure and dioxygen-reactivity of copper(I) complexes supported by bis(6-methylpyridin-2-ylmethyl)amine tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3514","3521","10.1039/b500202h","","","0.7107","MoKα","","","0.058","","","","0.063","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000116","14.38","0.002","7.196","0.002","25.291","0.004","90","","99.58","0.01","90","","2580.6","0.9","295.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cu F6 N4 P -","- C23 H26 Cu F6 N4 P -","- C92 H104 Cu4 F24 N16 P4 -","4","1","","Osako, Takao; Terada, Shohei; Tosha, Takehiko; Nagatomo, Shigenori; Furutachi, Hideki; Fujinami, Shuhei; Kitagawa, Teizo; Suzuki, Masatatsu; Itoh, Shinobu","Structure and dioxygen-reactivity of copper(I) complexes supported by bis(6-methylpyridin-2-ylmethyl)amine tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3514","3521","10.1039/b500202h","","","0.7107","MoKα","","","0.0865","","","","0.1317","","","","","","1.916","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000117","11.159","0.002","17.147","0.002","12.387","0.002","88.88","0.01","109.24","0.01","91.35","0.01","2237","0.6","153.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl Cu N3 O5 -","- C22 H23 Cl Cu N3 O5 -","- C88 H92 Cl4 Cu4 N12 O20 -","4","2","","Osako, Takao; Terada, Shohei; Tosha, Takehiko; Nagatomo, Shigenori; Furutachi, Hideki; Fujinami, Shuhei; Kitagawa, Teizo; Suzuki, Masatatsu; Itoh, Shinobu","Structure and dioxygen-reactivity of copper(I) complexes supported by bis(6-methylpyridin-2-ylmethyl)amine tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3514","3521","10.1039/b500202h","","","0.7107","MoKα","","","0.0443","","","","0.0729","","","","","","1.393","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000118","28.139","0.003","21.789","0.003","22.697","0.003","90","","90","","90","","13916","3","123.1","","","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C28 H44 Cl4 Mo N2 O2 S4 -","- C28 H44 Cl4 Mo N2 O2 S4 -","- C448 H704 Cl64 Mo16 N32 O32 S64 -","16","1","","Sugimoto, Hideki; Tarumizu, Makoto; Tanaka, Koji; Miyake, Hiroyuki; Tsukube, Hiroshi","A new series of molybdenum-(IV), -(V), and -(VI) dithiolate compounds as active site models of molybdoenzymes: preparation, crystal structures, spectroscopic/electrochemical properties and reactivity in oxygen atom transfer.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3558","3565","10.1039/b503828f","","","0.7107","MoKα","","","0.038","","","","0.088","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000119","7.822","0.004","16.049","0.007","25.348","0.012","90","","90","","90","","3182","3","123","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl4 Mo N2 O S4 -","- C24 H36 Cl4 Mo N2 O S4 -","- C96 H144 Cl16 Mo4 N8 O4 S16 -","4","1","","Sugimoto, Hideki; Tarumizu, Makoto; Tanaka, Koji; Miyake, Hiroyuki; Tsukube, Hiroshi","A new series of molybdenum-(IV), -(V), and -(VI) dithiolate compounds as active site models of molybdoenzymes: preparation, crystal structures, spectroscopic/electrochemical properties and reactivity in oxygen atom transfer.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3558","3565","10.1039/b503828f","","","0.7107","MoKα","","","0.055","","","","0.158","","","","","","0.993","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000120","9.269","0.003","8.222","0.002","17.337","0.005","90","","103.143","0.006","90","","1286.6","0.6","173.1","","","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C20 H24 Cl4 Mo N O S4 -","- C20 H24 Cl4 Mo N O S4 -","- C40 H48 Cl8 Mo2 N2 O2 S8 -","2","1","","Sugimoto, Hideki; Tarumizu, Makoto; Tanaka, Koji; Miyake, Hiroyuki; Tsukube, Hiroshi","A new series of molybdenum-(IV), -(V), and -(VI) dithiolate compounds as active site models of molybdoenzymes: preparation, crystal structures, spectroscopic/electrochemical properties and reactivity in oxygen atom transfer.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3558","3565","10.1039/b503828f","","","0.7107","MoKα","","","0.052","","","","0.098","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000121","13.6909","0.0008","9.9329","0.0005","13.9284","0.0008","90","","95.652","0.003","90","","1884.92","0.18","123.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl4 Mo2 N2 O5 S4 -","- C28 H44 Cl4 Mo2 N2 O5 S4 -","- C56 H88 Cl8 Mo4 N4 O10 S8 -","2","0.5","","Sugimoto, Hideki; Tarumizu, Makoto; Tanaka, Koji; Miyake, Hiroyuki; Tsukube, Hiroshi","A new series of molybdenum-(IV), -(V), and -(VI) dithiolate compounds as active site models of molybdoenzymes: preparation, crystal structures, spectroscopic/electrochemical properties and reactivity in oxygen atom transfer.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3558","3565","10.1039/b503828f","","","0.7107","MoKα","","","0.027","","","","0.072","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000122","4.289","0.002","13.968","0.005","11.991","0.005","90","","93.528","0.008","90","","717","0.5","123.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 Cl4 S4 -","- C12 H4 Cl4 S4 -","- C24 H8 Cl8 S8 -","2","0.5","","Sugimoto, Hideki; Tarumizu, Makoto; Tanaka, Koji; Miyake, Hiroyuki; Tsukube, Hiroshi","A new series of molybdenum-(IV), -(V), and -(VI) dithiolate compounds as active site models of molybdoenzymes: preparation, crystal structures, spectroscopic/electrochemical properties and reactivity in oxygen atom transfer.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3558","3565","10.1039/b503828f","","","0.7107","MoKα","","","0.084","","","","0.251","","","","","","0.969","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000123","20.287","0.002","10.5551","0.0006","12.7613","0.001","90","","99.694","0.004","90","","2693.6","0.4","123.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Mo N2 O4 S2 -","- C24 H40 Mo N2 O4 S2 -","- C96 H160 Mo4 N8 O16 S8 -","4","0.5","","Sugimoto, Hideki; Tarumizu, Makoto; Tanaka, Koji; Miyake, Hiroyuki; Tsukube, Hiroshi","A new series of molybdenum-(IV), -(V), and -(VI) dithiolate compounds as active site models of molybdoenzymes: preparation, crystal structures, spectroscopic/electrochemical properties and reactivity in oxygen atom transfer.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3558","3565","10.1039/b503828f","","","0.7107","MoKα","","","0.025","","","","0.071","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000124","8.4549","0.0017","9.282","0.0019","14.303","0.003","89.61","0.03","78.13","0.03","76.02","0.03","1064.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 F6 Mo N3 O3 P -","- C19 H18 F6 Mo N3 O3 P -","- C38 H36 F12 Mo2 N6 O6 P2 -","2","1","","Thapper, Anders; Behrens, Axel; Fryxelius, Jacob; Johansson, Maria H.; Prestopino, Fabio; Czaun, Miklós; Rehder, Dieter; Nordlander, Ebbe","Synthesis and characterization of molybdenum oxo complexes of two tripodal ligands: reactivity studies of a functional model for molybdenum oxotransferases.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3566","3571","10.1039/b505180k","","","0.71073","MoKα","","0.0987","0.0538","","","0.1282","0.1435","","","","","","0.968","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000125","16.499","0.003","21.562","0.004","20.882","0.004","90","","91.28","0.03","90","","7427","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H76 B2 Mo2 N6 O5 -","- C86 H76 B2 Mo2 N6 O5 -","- C344 H304 B8 Mo8 N24 O20 -","4","1","","Thapper, Anders; Behrens, Axel; Fryxelius, Jacob; Johansson, Maria H.; Prestopino, Fabio; Czaun, Miklós; Rehder, Dieter; Nordlander, Ebbe","Synthesis and characterization of molybdenum oxo complexes of two tripodal ligands: reactivity studies of a functional model for molybdenum oxotransferases.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3566","3571","10.1039/b505180k","","","1.516","","","0.0571","0.0538","","","0.1682","0.1721","","","","","","1.032","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000126","13.3347","0.0009","13.3284","0.0009","15.9546","0.001","90","","104.962","0.001","90","","2739.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 B N6 O4 S3 W -","- C21 H28 B N6 O4 S3 W -","- C84 H112 B4 N24 O16 S12 W4 -","4","1","","Sproules, Stephen A.; Morgan, Hugh T.; Doonan, Christian J.; White, Jonathan M.; Young, Charles G.","Synthesis and characterisation of second-generation metallodithiolene complexes of the type [Tp*ME(dithiolene)](M=Mo, W; E=O, S) and a novel 'organoscorpionate' complex of tungsten.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3552","3557","10.1039/b506050h","","","0.71073","MoKα","","0.0837","0.0477","","","0.0762","0.0831","","","","","","0.795","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000127","9.7848","0.0006","12.0313","0.0007","15.8803","0.0009","76.755","0.001","86.934","0.001","70.705","0.001","1717.04","0.18","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H34 B N6 O8 S3 W -","- C27 H34 B N6 O8 S3 W -","- C54 H68 B2 N12 O16 S6 W2 -","2","1","","Sproules, Stephen A.; Morgan, Hugh T.; Doonan, Christian J.; White, Jonathan M.; Young, Charles G.","Synthesis and characterisation of second-generation metallodithiolene complexes of the type [Tp*ME(dithiolene)](M=Mo, W; E=O, S) and a novel 'organoscorpionate' complex of tungsten.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3552","3557","10.1039/b506050h","","","0.71073","MoKα","","0.0282","0.027","","","0.0709","0.0716","","","","","","1.083","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000128","23.911","0.0005","27.178","0.0005","21.8541","0.0005","90","","90","","90","","14202","0.5","150","1","150","1","","","","","","","","6","F d d 2","F 2 -2d","43","(Ru3(CCFc))2)","","","- C69 H60 Cl10 Fe2 N12 Ru3 -","- C69 H60 Cl10 Fe2 N12 Ru3 -","- C552 H480 Cl80 Fe16 N96 Ru24 -","8","0.5","","Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming","Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3696","3701","10.1039/b506267e","","","0.71073","MoKα","","0.1019","0.0775","","","0.2113","0.2338","","","","","","1.098","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000129","25.4999","0.0007","26.1497","0.0007","21.5252","0.0006","90","","90","","90","","14353.3","0.7","150","1","150","1","","","","","","","","5","F d d 2","F 2 -2d","43","(Ru3(CCPh)2)","","","- C56 H62 N12 O10 Ru3 -","- C56 H62 N12 O10 Ru3 -","- C448 H496 N96 O80 Ru24 -","8","0.5","","Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming","Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3696","3701","10.1039/b506267e","","","0.71073","MoKα","","0.1079","0.0835","","","0.2215","0.2444","","","","","","1.079","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000130","24.3107","0.0005","24.5552","0.0005","23.52","0.0004","90","","90","","90","","14040.4","0.5","150","1","150","1","","","","","","","","8","F d d 2","F 2 -2d","43","(Ru3(CCPhOCH3)2)(BF4)","","","- C62 H58 B Cl8 F4 N12 O4 Ru3 -","- C62 H58 B Cl8 F4 N12 O4 Ru3 -","- C496 H464 B8 Cl64 F32 N96 O32 Ru24 -","8","0.5","","Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming","Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3696","3701","10.1039/b506267e","","","0.71073","MoKα","","0.0757","0.0592","","","0.1582","0.1725","","","","","","1.079","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000131","23.6843","0.0005","25.8795","0.0005","23.3208","0.0005","90","","90","","90","","14294.2","0.5","150","1","150","1","","","","","","","","7","F d d 2","F 2 -2d","43","(Ru3(CCPhC5H11)2)(BF4)","","","- C70 H70 B Cl8 F4 N12 Ru3 -","- C70 H70 B Cl8 F4 N12 Ru3 -","- C560 H560 B8 Cl64 F32 N96 Ru24 -","8","0.5","","Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming","Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3696","3701","10.1039/b506267e","","","0.71073","MoKα","","0.0593","0.0456","","","0.1152","0.1282","","","","","","1.011","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000132","24.6541","0.0009","25.7043","0.0009","21.6051","0.0007","90","","90","","90","","13691.5","0.8","150","1","150","1","","","","","","","","5","F d d 2","F 2 -2d","43","(Ru3(CCPhCN)2)","","","- C60 H40 Cl4 N14 Ru3 -","- C60 H40 Cl4 N14 Ru3 -","- C480 H320 Cl32 N112 Ru24 -","8","0.5","","Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming","Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3696","3701","10.1039/b506267e","","","0.71073","MoKα","","0.1156","0.0903","","","0.2488","0.2823","","","","","","1.12","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000133","18.1581","0.0004","19.5166","0.0004","19.0706","0.0004","90","","104.596","0.0011","90","","6540.2","0.2","150","1","150","1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","(Ru3(CCPhNO2)2)","","","- C59.5 H51 Cl5 N14 O6 Ru3 -","- C59.5 H51 Cl5 N14 O6 Ru3 -","- C238 H204 Cl20 N56 O24 Ru12 -","4","1","","Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming","Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3696","3701","10.1039/b506267e","","","0.71073","MoKα","","0.133","0.0856","","","0.2441","0.288","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7000134","7.7327","0.0015","13.53","0.003","17.245","0.003","108.78","0.03","91.96","0.03","91.09","0.03","1706.3","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","calix(4)phyrin (1)","","","- C40 H46 Fe N4 O -","- C40 H46 Fe N4 O -","- C80 H92 Fe2 N8 O2 -","2","1","","Bucher, Christophe; Devillers, Charles H.; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Thomas, Fabrice","Calix[4]phyrin based redox architectures: towards new molecular tools for electrochemical sensing.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3620","3631","10.1039/b507144e","","","0.71073","MoKα","","0.0676","0.0493","","","0.1277","0.139","","","","","","1.053","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000135","12.671","0.003","11.944","0.002","15.545","0.003","90","","112.22","0.03","90","","2177.9","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","Calix(4)phyrine (2)","","","- C46 H42 Cl6 Fe2 N4 -","- C46 H42 Cl6 Fe2 N4 -","- C92 H84 Cl12 Fe4 N8 -","2","1","","Bucher, Christophe; Devillers, Charles H.; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Thomas, Fabrice","Calix[4]phyrin based redox architectures: towards new molecular tools for electrochemical sensing.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3620","3631","10.1039/b507144e","","","0.71073","MoKα","","0.0525","0.0435","","","0.1063","0.1141","","","","","","1.061","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000136","10.7004","0.0015","10.7004","0.0015","34.398","0.007","90","","90","","90","","3938.5","1.1","223","2","223","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","calix(4)phyrin (4)","","","- C48 H48 Fe2 N4 O Zn -","- C48 H48 Fe2 N4 O Zn -","- C192 H192 Fe8 N16 O4 Zn4 -","4","0.5","","Bucher, Christophe; Devillers, Charles H.; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Thomas, Fabrice","Calix[4]phyrin based redox architectures: towards new molecular tools for electrochemical sensing.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3620","3631","10.1039/b507144e","","","0.71073","MoKα","","0.0342","0.0312","","","0.0719","0.0727","","","","","","1.162","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000137","14.7414","0.0019","18.668","0.002","13.5904","0.0017","90","","90","","90","","3740","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","calix(4)phyrin (5)","","","- C45 H40 Cl2 Cu Fe2 N4 -","- C45 H40 Cl2 Cu Fe2 N4 -","- C180 H160 Cl8 Cu4 Fe8 N16 -","4","0.5","","Bucher, Christophe; Devillers, Charles H.; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Thomas, Fabrice","Calix[4]phyrin based redox architectures: towards new molecular tools for electrochemical sensing.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3620","3631","10.1039/b507144e","","","0.71073","MoKα","","0.0449","0.0393","","","0.0899","0.0926","","","","","","1.137","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000138","9.1219","0.0003","9.5962","0.0003","11.469","0.0005","77.4552","0.0014","66.6665","0.0016","70.856","0.002","866.44","0.06","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C36.6 H29.4 Cl2 Cu2 F5 N4.8 O2 -","- C36.6 H29.4 Cl2 Cu2 F5 N4.8 O2 -","- C36.6 H29.4 Cl2 Cu2 F5 N4.8 O2 -","1","1","","Boldron, Christophe; Ozalp-Yaman, Seniz; Gamez, Patrick; Tooke, Duncan M.; Spek, Anthony L.; Reedijk, Jan","Selective copper(II)-mediated oxidative coupling of a nucleophilic reagent to the para-methyl group of 2,4,6-trimethylphenol.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3535","3541","10.1039/b507199b","","","0.71073","MoKα","","0.0759","0.0508","","","0.1212","0.1332","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000139","16.4463","0.001","7.7606","0.001","18.5145","0.0009","90","","114.62","0.003","90","","2148.2","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Cl3 Cu2 N4 O -","- C21 H19 Cl3 Cu2 N4 O -","- C84 H76 Cl12 Cu8 N16 O4 -","4","0.5","","Boldron, Christophe; Ozalp-Yaman, Seniz; Gamez, Patrick; Tooke, Duncan M.; Spek, Anthony L.; Reedijk, Jan","Selective copper(II)-mediated oxidative coupling of a nucleophilic reagent to the para-methyl group of 2,4,6-trimethylphenol.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3535","3541","10.1039/b507199b","","","0.71073","MoKα","","0.0495","0.0328","","","0.0757","0.0818","","","","","","1.042","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000140","14.0247","0.0005","14.0247","0.0005","5.2884","0.0004","90","","90","","90","","1040.19","0.09","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4 H6 Cu N3 -","- C4 H6 Cu N3 -","- C32 H48 Cu8 N24 -","8","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Supramolecular isomerism within three-dimensional 3-connected nets: unusual synthesis and characterization of trimorphic copper(I) 3,5-dimethyl-1,2,4-triazolate.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3681","3685","10.1039/b509615d","","","0.71073","MoKα","","0.0201","0.0197","","","0.0569","0.0572","","","","","","1.019","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000141","8.0423","0.0007","11.531","0.001","17.3505","0.0016","90","","90","","90","","1609","0.2","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C4 H6 Cu N3 -","- C4 H6 Cu N3 -","- C48 H72 Cu12 N36 -","12","1.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Supramolecular isomerism within three-dimensional 3-connected nets: unusual synthesis and characterization of trimorphic copper(I) 3,5-dimethyl-1,2,4-triazolate.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3681","3685","10.1039/b509615d","","","0.71073","MoKα","","0.0315","0.0289","","","0.0643","0.0653","","","","","","1.013","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000142","13.47","0.002","13.47","0.002","6.142","0.002","90","0.02","90","0.02","90","0.02","1114.4","0.4","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C4 H6 Cu N3 -","- C4 H6 Cu N3 -","- C32 H48 Cu8 N24 -","8","1","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Supramolecular isomerism within three-dimensional 3-connected nets: unusual synthesis and characterization of trimorphic copper(I) 3,5-dimethyl-1,2,4-triazolate.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3681","3685","10.1039/b509615d","","","0.71073","MoKα","","0.026","0.0229","","","0.0614","0.0624","","","","","","1.046","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000143","15.947","0.003","8.3503","0.0017","22.819","0.005","90","","90.41","0.03","90","","3038.6","1.1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Cl2 N2 O4 Zr -","- C30 H40 Cl2 N2 O4 Zr -","- C120 H160 Cl8 N8 O16 Zr4 -","4","0.5","","Bott, Robyn K. J.; Hammond, Max; Horton, Peter N.; Lancaster, Simon J.; Bochmann, Manfred; Scott, Peter","Group 4 salicyloxazolines are potent polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3611","3613","10.1039/b509807f","","","0.71073","MoKα","","0.04","0.0303","","","0.0698","0.0739","","","","","","1.041","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000144","11.4174","0.0018","13.9809","0.0009","15.0376","0.0017","90","","90","","90","","2400.4","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 N2 O4 Zr -","- C24 H28 Cl2 N2 O4 Zr -","- C96 H112 Cl8 N8 O16 Zr4 -","4","1","","Bott, Robyn K. J.; Hammond, Max; Horton, Peter N.; Lancaster, Simon J.; Bochmann, Manfred; Scott, Peter","Group 4 salicyloxazolines are potent polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3611","3613","10.1039/b509807f","","","0.71073","MoKα","","0.0368","0.0286","","","0.0618","0.0648","","","","","","1.032","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000145","8.6239","0.0007","14.246","0.002","15.6634","0.001","73.562","0.009","78.594","0.007","75.626","0.01","1771","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 B10 N O3 Re -","- C8 H20 B10 N O3 Re -","- C32 H80 B40 N4 O12 Re4 -","4","2","","Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F Gordon A","Alkyne coupling at a rhenium-monocarborane substrate: synthesis of Re,B-eta2:sigma-butadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3672","3680","10.1039/b510026g","","","0.71073","MoKα","","0.0569","0.0376","","","0.0807","0.0881","","","","","","1.046","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000146","7.7063","0.0006","14.1589","0.0013","20.4558","0.0015","90","","96.992","0.006","90","","2215.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H30 B10 N O2 Re -","- C13 H30 B10 N O2 Re -","- C52 H120 B40 N4 O8 Re4 -","4","1","","Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F Gordon A","Alkyne coupling at a rhenium-monocarborane substrate: synthesis of Re,B-eta2:sigma-butadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3672","3680","10.1039/b510026g","","","0.71073","MoKα","","0.0562","0.0367","","","0.0824","0.0918","","","","","","1.093","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000147","11.0404","0.0007","14.2838","0.0014","17.573","0.002","90","","100.507","0.007","90","","2724.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 B10 N O2 Re -","- C21 H36 B10 N O2 Re -","- C84 H144 B40 N4 O8 Re4 -","4","1","","Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F Gordon A","Alkyne coupling at a rhenium-monocarborane substrate: synthesis of Re,B-eta2:sigma-butadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3672","3680","10.1039/b510026g","","","0.71073","MoKα","","0.0941","0.0437","","0.0686","0.0574","","","","1.018","1.073","1.073","","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000148","10.6011","0.0009","11.5856","0.001","22.6485","0.0018","90","","90","","90","","2781.7","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 B10 N2 O Re -","- C21 H39 B10 N2 O Re -","- C84 H156 B40 N8 O4 Re4 -","4","1","","Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F Gordon A","Alkyne coupling at a rhenium-monocarborane substrate: synthesis of Re,B-eta2:sigma-butadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3672","3680","10.1039/b510026g","","","0.71073","MoKα","","0.0474","0.0437","","","0.1085","0.1103","","","","","","1.069","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000149","9.1396","0.0012","12.7408","0.0012","19.819","0.003","90","","97.383","0.011","90","","2288.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 F3 N4 Ni P2 -","- C17 H31 F3 N4 Ni P2 -","- C68 H124 F12 N16 Ni4 P8 -","4","1","","Burling, Suzanne; Elliott, Paul I. P.; Jasim, Naser A.; Lindup, Richard J.; McKenna, Jennifer; Perutz, Robin N.; Archibald, Stephen J.; Whitwood, Adrian C.","C-F Bond activation at Ni(0) and simple reactions of square planar Ni(II) fluoride complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3686","3695","10.1039/b510052f","","","0.71073","MoKα","","0.1477","0.045","","","0.0858","0.1082","","","","","","0.74","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000150","10.7713","0.0007","13.1418","0.0009","16.9266","0.0012","90","","92.929","0.002","90","","2392.9","0.3","115","2","115","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 F4 N Ni O2 P2 -","- C19 H33 F4 N Ni O2 P2 -","- C76 H132 F16 N4 Ni4 O8 P8 -","4","1","","Burling, Suzanne; Elliott, Paul I. P.; Jasim, Naser A.; Lindup, Richard J.; McKenna, Jennifer; Perutz, Robin N.; Archibald, Stephen J.; Whitwood, Adrian C.","C-F Bond activation at Ni(0) and simple reactions of square planar Ni(II) fluoride complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3686","3695","10.1039/b510052f","","","0.71073","MoKα","","0.0327","0.0275","","","0.0694","0.0721","","","","","","1.03","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000151","14.2302","0.0006","14.8904","0.0006","21.0407","0.0009","87.968","0.001","77.025","0.001","76.75","0.001","4228.3","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H123 F10 N2 Ni2 P4 -","- C89 H123 F10 N2 Ni2 P4 -","- C178 H246 F20 N4 Ni4 P8 -","2","1","","Burling, Suzanne; Elliott, Paul I. P.; Jasim, Naser A.; Lindup, Richard J.; McKenna, Jennifer; Perutz, Robin N.; Archibald, Stephen J.; Whitwood, Adrian C.","C-F Bond activation at Ni(0) and simple reactions of square planar Ni(II) fluoride complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3686","3695","10.1039/b510052f","","","0.71073","MoKα","","0.0656","0.0426","","","0.1025","0.1151","","","","","","1.022","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000152","30.943","0.004","30.943","0.004","11.522","0.002","90","","90","","90","","11032","3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C25 H35 F4 N Ni P2 -","- C24.998 H35 F4 N0.998 Ni P2 -","- C399.968 H560 F64 N15.968 Ni16 P32 -","16","1","","Burling, Suzanne; Elliott, Paul I. P.; Jasim, Naser A.; Lindup, Richard J.; McKenna, Jennifer; Perutz, Robin N.; Archibald, Stephen J.; Whitwood, Adrian C.","C-F Bond activation at Ni(0) and simple reactions of square planar Ni(II) fluoride complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3686","3695","10.1039/b510052f","","","0.71073","MoKα","","0.3019","0.0617","","","0.1354","0.2219","","","","","","0.955","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000153","7.9514","0.0006","12.1163","0.0009","12.4823","0.0009","90","","107.077","0.001","90","","1149.54","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Ag N3 O4 -","- C11 H8 Ag N3 O4 -","- C44 H32 Ag4 N12 O16 -","4","1","","Chen, Xu-Dong; Mak, Thomas C. W.","Single-strand helical complexes constructed from 2-pyridinyl-3-pyridinylmethanone: tuning the helical pitch length by variation of metal cation and/or counter anion.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3646","3652","10.1039/b510569b","","","0.71073","MoKα","","0.0422","0.0368","","","0.0935","0.0966","","","","","","1.136","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000154","8.6733","0.0007","12.1933","0.001","13.27","0.001","90","","101.673","0.002","90","","1374.36","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Ag F6 N2 O P -","- C11 H8 Ag F6 N2 O P -","- C44 H32 Ag4 F24 N8 O4 P4 -","4","1","","Chen, Xu-Dong; Mak, Thomas C. W.","Single-strand helical complexes constructed from 2-pyridinyl-3-pyridinylmethanone: tuning the helical pitch length by variation of metal cation and/or counter anion.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3646","3652","10.1039/b510569b","","","0.71073","MoKα","","0.0691","0.0525","","","0.1257","0.1399","","","","","","1.119","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000155","8.0172","0.0005","12.4067","0.0008","13.2083","0.0009","90","","110.355","0.001","90","","1231.75","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Ag B F4 N2 O -","- C11 H8 Ag B F4 N2 O -","- C44 H32 Ag4 B4 F16 N8 O4 -","4","1","","Chen, Xu-Dong; Mak, Thomas C. W.","Single-strand helical complexes constructed from 2-pyridinyl-3-pyridinylmethanone: tuning the helical pitch length by variation of metal cation and/or counter anion.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3646","3652","10.1039/b510569b","","","0.71073","MoKα","","0.0414","0.0365","","","0.0952","0.0988","","","","","","1.066","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000156","8.1126","0.0009","12.5127","0.0013","13.4177","0.0017","90","","111.047","0.002","90","","1271.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Ag Cl N2 O5 -","- C11 H8 Ag Cl N2 O5 -","- C44 H32 Ag4 Cl4 N8 O20 -","4","1","","Chen, Xu-Dong; Mak, Thomas C. W.","Single-strand helical complexes constructed from 2-pyridinyl-3-pyridinylmethanone: tuning the helical pitch length by variation of metal cation and/or counter anion.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3646","3652","10.1039/b510569b","","","0.71073","MoKα","","0.0693","0.0573","","","0.1453","0.1526","","","","","","1.206","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000157","7.7407","0.0005","13.6362","0.0008","13.5921","0.0009","90","","109.424","0.001","90","","1353.04","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Ag F3 N2 O3 -","- C13 H8 Ag F3 N2 O3 -","- C52 H32 Ag4 F12 N8 O12 -","4","1","","Chen, Xu-Dong; Mak, Thomas C. W.","Single-strand helical complexes constructed from 2-pyridinyl-3-pyridinylmethanone: tuning the helical pitch length by variation of metal cation and/or counter anion.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3646","3652","10.1039/b510569b","","","0.71073","MoKα","","0.0437","0.035","","","0.0879","0.0934","","","","","","1.066","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000158","18.9186","0.0011","8.1263","0.0005","24.8022","0.0014","90","","90","","90","","3813","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Cl2 Cu N3 O10 -","- C13 H13 Cl2 Cu N3 O10 -","- C104 H104 Cl16 Cu8 N24 O80 -","8","1","","Chen, Xu-Dong; Mak, Thomas C. W.","Single-strand helical complexes constructed from 2-pyridinyl-3-pyridinylmethanone: tuning the helical pitch length by variation of metal cation and/or counter anion.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3646","3652","10.1039/b510569b","","","0.71073","MoKα","","0.06","0.0466","","","0.1131","0.1235","","","","","","1.169","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000159","13.0805","0.0008","11.158","0.0007","13.8114","0.0008","90","","95.398","0.001","90","","2006.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 Cl2 Co N2 O14 -","- C11 H14 Cl2 Co N2 O14 -","- C44 H56 Cl8 Co4 N8 O56 -","4","1","","Chen, Xu-Dong; Mak, Thomas C. W.","Single-strand helical complexes constructed from 2-pyridinyl-3-pyridinylmethanone: tuning the helical pitch length by variation of metal cation and/or counter anion.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3646","3652","10.1039/b510569b","","","0.71073","MoKα","","0.064","0.0502","","","0.1299","0.1438","","","","","","1.131","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000160","10.1623","0.0005","11.5785","0.0005","19.85","0.0009","90","","97.017","0.001","90","","2318.14","0.18","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F6 N2 O11 S2 Zn -","- C13 H16 F6 N2 O11 S2 Zn -","- C52 H64 F24 N8 O44 S8 Zn4 -","4","1","","Chen, Xu-Dong; Mak, Thomas C. W.","Single-strand helical complexes constructed from 2-pyridinyl-3-pyridinylmethanone: tuning the helical pitch length by variation of metal cation and/or counter anion.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3646","3652","10.1039/b510569b","","","0.71073","MoKα","","0.0506","0.046","","","0.1284","0.1322","","","","","","1.12","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000161","11.5832","0.0014","12.1393","0.0015","12.3268","0.0015","80.843","0.002","71.329","0.002","68.328","0.002","1524.4","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cl2 Fe N10 O8 -","- C24 H36 Cl2 Fe N10 O8 -","- C48 H72 Cl4 Fe2 N20 O16 -","2","1","","Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Cuenca, Luciann; Schmiedekamp, Ann M.; Viragh, Carol","Synthesis and characterization of seven-coordinate tripodal imidazole complexes of iron(II) and manganese(II).","Dalton transactions (Cambridge, England : 2003)","2005","","22","3617","3619","10.1039/b511566c","","","0.71073","MoKα","","0.0509","0.0396","","","0.0985","0.1052","","","","","","1.041","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000162","11.623","0.002","12.17","0.003","12.343","0.003","81.688","0.003","71.36","0.003","67.784","0.003","1531","0.6","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cl2 Mn N10 O8 -","- C24 H36 Cl2 Mn N10 O8 -","- C48 H72 Cl4 Mn2 N20 O16 -","2","1","","Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Cuenca, Luciann; Schmiedekamp, Ann M.; Viragh, Carol","Synthesis and characterization of seven-coordinate tripodal imidazole complexes of iron(II) and manganese(II).","Dalton transactions (Cambridge, England : 2003)","2005","","22","3617","3619","10.1039/b511566c","","","0.71073","MoKα","","0.052","0.0386","","","0.0908","0.0972","","","","","","1.026","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000163","16.511","0.013","9.737","0.006","17.223","0.012","90","","90.83","0.03","90","","2769","3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Cl2 Mn N10 O8 -","- C21 H30 Cl2 Mn N10 O8 -","- C84 H120 Cl8 Mn4 N40 O32 -","4","1","","Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Cuenca, Luciann; Schmiedekamp, Ann M.; Viragh, Carol","Synthesis and characterization of seven-coordinate tripodal imidazole complexes of iron(II) and manganese(II).","Dalton transactions (Cambridge, England : 2003)","2005","","22","3617","3619","10.1039/b511566c","","","0.71073","MoKα","","0.0785","0.059","","","0.1287","0.1391","","","","","","1.054","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000164","15.866","0.0014","15.866","0.002","12.6","0.0016","90","","90","","90","","3171.8","0.6","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C59 H76 Ga4 O12 Rh6 -","- C59 H76 Ga4 O12 Rh6 -","- C118 H152 Ga8 O24 Rh12 -","2","0.25","","Grachova, Elena V.; Jutzi, Peter; Neumann, Beate; Stammler, Hans-Georg","Novel rhodium and ruthenium carbonyl cluster complexes with face- and edge-bridging GaCp* ligands. Synthesis and structural characterization of the Rh6(CO)12(mu3-GaCp*)4 and Ru6(eta6-C)(mu2-CO)(CO)13(mu3-GaCp*)2(mu2-GaCp*) clusters.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3614","3616","10.1039/b513015h","","","0.71073","MoKα","","0.0284","0.0212","","","0.0384","0.0403","","","","","","1.019","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000165","11.796","0.007","11.878","0.006","20.135","0.012","104.97","0.04","97.75","0.05","91","0.05","2696","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 Ga3 O14 Ru6 -","- C48 H52 Ga3 O14 Ru6 -","- C96 H104 Ga6 O28 Ru12 -","2","1","","Grachova, Elena V.; Jutzi, Peter; Neumann, Beate; Stammler, Hans-Georg","Novel rhodium and ruthenium carbonyl cluster complexes with face- and edge-bridging GaCp* ligands. Synthesis and structural characterization of the Rh6(CO)12(mu3-GaCp*)4 and Ru6(eta6-C)(mu2-CO)(CO)13(mu3-GaCp*)2(mu2-GaCp*) clusters.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3614","3616","10.1039/b513015h","","","0.71073","MoKα","","0.1121","0.0579","","","0.1126","0.1374","","","","","","1.069","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7007898","12.605","0.004","23.792","0.006","11.351","0.004","90","","115.75","0.03","90","","3066.1","1.8","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","1+","","","- C25 H35 F6 N2 O3 P2 Re -","- C25 H35 F6 N2 O3 P2 Re -","- C100 H140 F24 N8 O12 P8 Re4 -","4","1","","Tsubaki, Hideaki; Tohyama, Shigeki; Koike, Kazuhide; Saitoh, Hideki; Ishitani, Osamu","Effect of intramolecular pi-pi and CH-pi interactions between ligands on structure, electrochemical and spectroscopic properties of fac-[Re(bpy)(CO)3(PR3)]+(bpy = 2,2'-bipyridine; PR3= trialkyl or triarylphosphines).","Dalton transactions (Cambridge, England : 2003)","2005","","2","385","395","10.1039/b407947g","","","0.71073","MoKα","","0.1158","0.0592","","","0.1365","0.2044","","","","","","1.069","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007899","16.185","0.003","14.044","0.002","10.644","0.002","90","","90","","90","","2419.4","0.7","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","2+","","","- C19 H23 F6 N2 O3 P2 Re -","- C19 H23 F6 N2 O3 P2 Re -","- C76 H92 F24 N8 O12 P8 Re4 -","4","1","","Tsubaki, Hideaki; Tohyama, Shigeki; Koike, Kazuhide; Saitoh, Hideki; Ishitani, Osamu","Effect of intramolecular pi-pi and CH-pi interactions between ligands on structure, electrochemical and spectroscopic properties of fac-[Re(bpy)(CO)3(PR3)]+(bpy = 2,2'-bipyridine; PR3= trialkyl or triarylphosphines).","Dalton transactions (Cambridge, England : 2003)","2005","","2","385","395","10.1039/b407947g","","","0.71073","MoKα","","0.0852","0.0454","","","0.0954","0.1297","","","","","","1.123","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007900","20.965","0.002","11.083","0.001","16.156","0.002","90","","110.109","0.009","90","","3525.1","0.7","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","3+","","","- C35 H29 F3 N2 O9 P Re S -","- C35 H29 F3 N2 O9 P Re S -","- C140 H116 F12 N8 O36 P4 Re4 S4 -","4","1","","Tsubaki, Hideaki; Tohyama, Shigeki; Koike, Kazuhide; Saitoh, Hideki; Ishitani, Osamu","Effect of intramolecular pi-pi and CH-pi interactions between ligands on structure, electrochemical and spectroscopic properties of fac-[Re(bpy)(CO)3(PR3)]+(bpy = 2,2'-bipyridine; PR3= trialkyl or triarylphosphines).","Dalton transactions (Cambridge, England : 2003)","2005","","2","385","395","10.1039/b407947g","","","0.71073","MoKα","","0.0645","0.0405","","","0.0822","0.1056","","","","","","1.134","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007901","21.205","0.002","11.028","0.001","15.438","0.002","90","","106.22","0.01","90","","3466.5","0.7","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","4+","","","- C35 H29 F3 N2 O6 P Re S -","- C35 H29 F3 N2 O6 P Re S -","- C140 H116 F12 N8 O24 P4 Re4 S4 -","4","1","","Tsubaki, Hideaki; Tohyama, Shigeki; Koike, Kazuhide; Saitoh, Hideki; Ishitani, Osamu","Effect of intramolecular pi-pi and CH-pi interactions between ligands on structure, electrochemical and spectroscopic properties of fac-[Re(bpy)(CO)3(PR3)]+(bpy = 2,2'-bipyridine; PR3= trialkyl or triarylphosphines).","Dalton transactions (Cambridge, England : 2003)","2005","","2","385","395","10.1039/b407947g","","","0.71073","MoKα","","0.0914","0.0674","","","0.1775","0.1953","","","","","","1.035","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007902","13.129","0.003","22.2","0.007","10.614","0.002","90","","99.39","0.01","90","","3052.1","1.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","5+","","","- C31 H23 F6 N2 O3 P2 Re -","- C31 H23 F6 N2 O3 P2 Re -","- C124 H92 F24 N8 O12 P8 Re4 -","4","1","","Tsubaki, Hideaki; Tohyama, Shigeki; Koike, Kazuhide; Saitoh, Hideki; Ishitani, Osamu","Effect of intramolecular pi-pi and CH-pi interactions between ligands on structure, electrochemical and spectroscopic properties of fac-[Re(bpy)(CO)3(PR3)]+(bpy = 2,2'-bipyridine; PR3= trialkyl or triarylphosphines).","Dalton transactions (Cambridge, England : 2003)","2005","","2","385","395","10.1039/b407947g","","","0.71073","MoKα","","0.1123","0.0629","","","0.1517","0.2174","","","","","","1.132","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007903","8.793","0.003","11.66","0.01","16.127","0.006","99.49","0.06","102.22","0.03","106.75","0.05","1501.7","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","7+","","","- C22 H29 F6 N2 O6 P2 Re -","- C22 H29 F6 N2 O6 P2 Re -","- C44 H58 F12 N4 O12 P4 Re2 -","2","1","","Tsubaki, Hideaki; Tohyama, Shigeki; Koike, Kazuhide; Saitoh, Hideki; Ishitani, Osamu","Effect of intramolecular pi-pi and CH-pi interactions between ligands on structure, electrochemical and spectroscopic properties of fac-[Re(bpy)(CO)3(PR3)]+(bpy = 2,2'-bipyridine; PR3= trialkyl or triarylphosphines).","Dalton transactions (Cambridge, England : 2003)","2005","","2","385","395","10.1039/b407947g","","","0.71073","MoKα","","0.0964","0.0773","","","0.1979","0.2296","","","","","","1.079","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007904","9.931","0.003","11.158","0.002","12.489","0.004","93.04","0.02","97.23","0.02","104.04","0.02","1326.9","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","8+","","","- C19 H23 F6 N2 O6 P2 Re -","- C19 H23 F6 N2 O6 P2 Re -","- C38 H46 F12 N4 O12 P4 Re2 -","2","1","","Tsubaki, Hideaki; Tohyama, Shigeki; Koike, Kazuhide; Saitoh, Hideki; Ishitani, Osamu","Effect of intramolecular pi-pi and CH-pi interactions between ligands on structure, electrochemical and spectroscopic properties of fac-[Re(bpy)(CO)3(PR3)]+(bpy = 2,2'-bipyridine; PR3= trialkyl or triarylphosphines).","Dalton transactions (Cambridge, England : 2003)","2005","","2","385","395","10.1039/b407947g","","","0.71073","MoKα","","0.0652","0.0562","","","0.1592","0.1783","","","","","","1.176","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007905","13.574","0.002","12.052","0.002","14.391","0.002","90","","94.79","0.01","90","","2346.1","0.6","298","2","298","2","","","","","","","","8","C 1 c 1","C -2yc","9","9+","","","- C17 H17 F3 N2 O9 P Re S -","- C17 H17 F3 N2 O9 P Re S -","- C68 H68 F12 N8 O36 P4 Re4 S4 -","4","1","","Tsubaki, Hideaki; Tohyama, Shigeki; Koike, Kazuhide; Saitoh, Hideki; Ishitani, Osamu","Effect of intramolecular pi-pi and CH-pi interactions between ligands on structure, electrochemical and spectroscopic properties of fac-[Re(bpy)(CO)3(PR3)]+(bpy = 2,2'-bipyridine; PR3= trialkyl or triarylphosphines).","Dalton transactions (Cambridge, England : 2003)","2005","","2","385","395","10.1039/b407947g","","","0.71073","MoKα","","0.0536","0.0482","","","0.1215","0.1315","","","","","","1.238","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007906","10.88","0.003","10.972","0.004","15.286","0.005","71.11","0.02","76.66","0.03","77.73","0.03","1661","1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","10+","","","- C31 H23 F6 N2 O6 P2 Re -","- C31 H23 F6 N2 O6 P2 Re -","- C62 H46 F12 N4 O12 P4 Re2 -","2","1","","Tsubaki, Hideaki; Tohyama, Shigeki; Koike, Kazuhide; Saitoh, Hideki; Ishitani, Osamu","Effect of intramolecular pi-pi and CH-pi interactions between ligands on structure, electrochemical and spectroscopic properties of fac-[Re(bpy)(CO)3(PR3)]+(bpy = 2,2'-bipyridine; PR3= trialkyl or triarylphosphines).","Dalton transactions (Cambridge, England : 2003)","2005","","2","385","395","10.1039/b407947g","","","0.71073","MoKα","","0.0745","0.0551","","","0.1361","0.1583","","","","","","1.086","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007907","13.344","0.002","13.804","0.002","15.468","0.003","74.104","0.003","69.098","0.003","75.846","0.003","2525.5","0.7","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C28.5 H33 Cl11 N6 O3 Os Pt2 S2 -","- C28.5 H31 Cl11 N6 O3 Os Pt2 S2 -","- C57 H62 Cl22 N12 O6 Os2 Pt4 S4 -","2","1","","Chow, Cheuk-Fai; Lam, Michael H. W.; Sui, Hongyan; Wong, Wai-Yeung","Design and synthesis of heterobimetallic donor-acceptor chemodosimetric ensembles for the detection of sulfhydryl-containing amino acids and peptides.","Dalton transactions (Cambridge, England : 2003)","2005","","3","475","484","10.1039/b410974k","","","0.71073","MoKα","","0.2001","0.0751","","","0.1505","0.1934","","","","","","0.872","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007908","14.551","0.0011","16.3438","0.0012","20.4221","0.0015","90.9","0.002","92.65","0.001","113.561","0.001","4444","0.6","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H36 Cl5 N6 O5 Pt2 Ru S2 -","- C27 H29 Cl5 N6 O5 Pt2 Ru S2 -","- C108 H116 Cl20 N24 O20 Pt8 Ru4 S8 -","4","2","","Chow, Cheuk-Fai; Lam, Michael H. W.; Sui, Hongyan; Wong, Wai-Yeung","Design and synthesis of heterobimetallic donor-acceptor chemodosimetric ensembles for the detection of sulfhydryl-containing amino acids and peptides.","Dalton transactions (Cambridge, England : 2003)","2005","","3","475","484","10.1039/b410974k","","","0.71073","MoKα","","0.141","0.0608","","","0.1414","0.1801","","","","","","0.965","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007909","13.123","0.008","13.681","0.008","15.542","0.009","74.26","0.01","68.828","0.01","76.081","0.011","2473","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H35 Cl13 Fe N6 O4 Pt2 S2 -","- C29 H31 Cl13 Fe N6 O4 Pt2 S2 -","- C58 H62 Cl26 Fe2 N12 O8 Pt4 S4 -","2","1","","Chow, Cheuk-Fai; Lam, Michael H. W.; Sui, Hongyan; Wong, Wai-Yeung","Design and synthesis of heterobimetallic donor-acceptor chemodosimetric ensembles for the detection of sulfhydryl-containing amino acids and peptides.","Dalton transactions (Cambridge, England : 2003)","2005","","3","475","484","10.1039/b410974k","","","0.71073","MoKα","","0.0951","0.0623","","","0.1623","0.182","","","","","","0.95","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007910","10.271","0.006","11.24","0.007","13.251","0.007","71.05","0.02","64.21","0.02","74.27","0.03","1287.5","1.3","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 Cl12 N6 -","- C46 H40 Cl12 N6 -","- C46 H40 Cl12 N6 -","1","0.5","","Mikata, Yuji; Wakamatsu, Motoko; Yano, Shigenobu","Tetrakis(2-quinolinylmethyl)ethylenediamine (TQEN) as a new fluorescent sensor for zinc.","Dalton transactions (Cambridge, England : 2003)","2005","","3","545","550","10.1039/b411924j","","","0.7107","MoKalpha","","","0.066","","","","0.172","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007911","36.5983","0.0014","12.5859","0.0002","24.8617","0.0009","90","","127.14","0.0002","90","","9129","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H43.5 Cl2 N8.5 O8 Zn -","- C47 H42 Cl2 N8.5 O8 Zn -","- C376 H336 Cl16 N68 O64 Zn8 -","8","1","","Mikata, Yuji; Wakamatsu, Motoko; Yano, Shigenobu","Tetrakis(2-quinolinylmethyl)ethylenediamine (TQEN) as a new fluorescent sensor for zinc.","Dalton transactions (Cambridge, England : 2003)","2005","","3","545","550","10.1039/b411924j","","","0.7107","MoKalpha","","0.0465","0.0405","","","0.1121","0.1238","","","","","","1.089","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007912","41.337","0.003","9.4307","0.0004","24.1542","0.0017","90","","108.421","0.003","90","","8933.7","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26.67 H30.67 Cl2 N6 O8.67 Zn -","- C26.6667 H30.6667 Cl2 N6 O8.66667 Zn -","- C320 H368 Cl24 N72 O104 Zn12 -","12","1.5","","Mikata, Yuji; Wakamatsu, Motoko; Yano, Shigenobu","Tetrakis(2-quinolinylmethyl)ethylenediamine (TQEN) as a new fluorescent sensor for zinc.","Dalton transactions (Cambridge, England : 2003)","2005","","3","545","550","10.1039/b411924j","","","0.71069","MoKalpha","","0.0627","0.0557","","","0.1804","0.1884","","","","","","1.461","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007913","13.735","0.007","12.824","0.006","19.091","0.009","102.08","0.02","99.75","0.02","105.42","0.02","3078","3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H45 Br2 Mn4 N11 O10 -","- C60 H42 Br2 Mn4 N11 O10 -","- C120 H84 Br4 Mn8 N22 O20 -","2","1","","Milios, Constantinos J.; Kyritsis, Panayotis; Raptopoulou, Catherine P.; Terzis, Aris; Vicente, Ramon; Escuer, Albert; Perlepes, Spyros P.","Di-2-pyridyl ketone oxime [(py)2CNOH] in manganese carboxylate chemistry: mononuclear, dinuclear and tetranuclear complexes, and partial transformation of (py)2CNOH to the gem-diolate(2-) derivative of di-2-pyridyl ketone leading to the formation of NO3-.","Dalton transactions (Cambridge, England : 2003)","2005","","3","501","511","10.1039/b412355g","","","0.71073","MoKα","","0.0681","0.0478","","","0.1206","0.1383","","","","","","1.067","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007914","14.147","0.006","19.939","0.008","10.272","0.004","90","","95.27","0.01","90","","2885","2","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Br2 Mn4 N12 O10 -","- C52 H30 Br2 Mn4 N12 O10 -","- C104 H60 Br4 Mn8 N24 O20 -","2","0.5","","Milios, Constantinos J.; Kyritsis, Panayotis; Raptopoulou, Catherine P.; Terzis, Aris; Vicente, Ramon; Escuer, Albert; Perlepes, Spyros P.","Di-2-pyridyl ketone oxime [(py)2CNOH] in manganese carboxylate chemistry: mononuclear, dinuclear and tetranuclear complexes, and partial transformation of (py)2CNOH to the gem-diolate(2-) derivative of di-2-pyridyl ketone leading to the formation of NO3-.","Dalton transactions (Cambridge, England : 2003)","2005","","3","501","511","10.1039/b412355g","","","0.71073","MoKα","","0.1018","0.0548","","","0.1199","0.1397","","","","","","1.154","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007915","10.87","0.004","11.566","0.004","15.768","0.006","70.03","0.01","76.99","0.01","64.79","0.01","1678.3","1.1","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28.5 Mn N6 O6.25 -","- C36 H28 Mn N6 O6.25 -","- C72 H56 Mn2 N12 O12.5 -","2","1","","Milios, Constantinos J.; Kyritsis, Panayotis; Raptopoulou, Catherine P.; Terzis, Aris; Vicente, Ramon; Escuer, Albert; Perlepes, Spyros P.","Di-2-pyridyl ketone oxime [(py)2CNOH] in manganese carboxylate chemistry: mononuclear, dinuclear and tetranuclear complexes, and partial transformation of (py)2CNOH to the gem-diolate(2-) derivative of di-2-pyridyl ketone leading to the formation of NO3-.","Dalton transactions (Cambridge, England : 2003)","2005","","3","501","511","10.1039/b412355g","","","0.71073","MoKα","","0.0528","0.0384","","","0.0963","0.1057","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007916","11.738","0.005","15.17","0.006","18.191","0.007","90","","103.72","0.01","90","","3147","2","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 Cl2 Mn4 N12 O10 -","- C62 H42 Cl2 Mn4 N12 O10 -","- C124 H84 Cl4 Mn8 N24 O20 -","2","0.5","","Milios, Constantinos J.; Kyritsis, Panayotis; Raptopoulou, Catherine P.; Terzis, Aris; Vicente, Ramon; Escuer, Albert; Perlepes, Spyros P.","Di-2-pyridyl ketone oxime [(py)2CNOH] in manganese carboxylate chemistry: mononuclear, dinuclear and tetranuclear complexes, and partial transformation of (py)2CNOH to the gem-diolate(2-) derivative of di-2-pyridyl ketone leading to the formation of NO3-.","Dalton transactions (Cambridge, England : 2003)","2005","","3","501","511","10.1039/b412355g","","","0.71073","MoKα","","0.0762","0.0464","","","0.1054","0.1213","","","","","","1.109","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007917","14.25","0.01","19.79","0.02","10.365","0.009","90","","93.18","0.03","90","","2919","4","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H43 Mn4 N13 O17 -","- C50 H38 Mn4 N13 O17 -","- C100 H76 Mn8 N26 O34 -","2","0.5","","Milios, Constantinos J.; Kyritsis, Panayotis; Raptopoulou, Catherine P.; Terzis, Aris; Vicente, Ramon; Escuer, Albert; Perlepes, Spyros P.","Di-2-pyridyl ketone oxime [(py)2CNOH] in manganese carboxylate chemistry: mononuclear, dinuclear and tetranuclear complexes, and partial transformation of (py)2CNOH to the gem-diolate(2-) derivative of di-2-pyridyl ketone leading to the formation of NO3-.","Dalton transactions (Cambridge, England : 2003)","2005","","3","501","511","10.1039/b412355g","","","0.71073","MoKα","","0.0841","0.0658","","","0.1797","0.1969","","","","","","1.078","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007918","11.317","0.004","16.989","0.006","11.679","0.004","90","","94.56","0.01","90","","2238.3","1.4","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H20 F18 Mn2 N6 O10 -","- C36 H20 F18 Mn2 N6 O10 -","- C72 H40 F36 Mn4 N12 O20 -","2","0.5","","Milios, Constantinos J.; Kyritsis, Panayotis; Raptopoulou, Catherine P.; Terzis, Aris; Vicente, Ramon; Escuer, Albert; Perlepes, Spyros P.","Di-2-pyridyl ketone oxime [(py)2CNOH] in manganese carboxylate chemistry: mononuclear, dinuclear and tetranuclear complexes, and partial transformation of (py)2CNOH to the gem-diolate(2-) derivative of di-2-pyridyl ketone leading to the formation of NO3-.","Dalton transactions (Cambridge, England : 2003)","2005","","3","501","511","10.1039/b412355g","","","0.71073","MoKα","","0.0745","0.0539","","","0.1411","0.1563","","","","","","1.036","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007919","6.947","0.0011","7.8874","0.0013","15.038","0.0018","75.487","0.008","80.377","0.007","80.912","0.009","780.6","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 S Ti -","- C16 H22 S Ti -","- C32 H44 S2 Ti2 -","2","1","","Manz, Thomas A.; Fenwick, Andrew E.; Phomphrai, Khamphee; Rothwell, Ian P.; Thomson, Kendall T.","The nature of aryloxide and arylsulfide ligand bonding in dimethyltitanium complexes containing cyclopentadienyl ligation.","Dalton transactions (Cambridge, England : 2003)","2005","","4","668","674","10.1039/b412455c","","","0.71073","MO-Kα","","0.059","0.045","","","0.123","0.129","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007920","32.44","0.003","8.3708","0.0003","15.9783","0.0013","90","","102.689","0.003","90","","4232.9","0.5","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H34 S Ti -","- C22 H34 S Ti -","- C176 H272 S8 Ti8 -","8","2","","Manz, Thomas A.; Fenwick, Andrew E.; Phomphrai, Khamphee; Rothwell, Ian P.; Thomson, Kendall T.","The nature of aryloxide and arylsulfide ligand bonding in dimethyltitanium complexes containing cyclopentadienyl ligation.","Dalton transactions (Cambridge, England : 2003)","2005","","4","668","674","10.1039/b412455c","","","0.71073","MO-Kα","","0.098","0.077","","","0.187","0.204","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007921","7.976","0.001","9.878","0.002","9.057","0.002","90","","113.856","0.003","90","","652.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cobalt zinc orthophosphate monohydrate","Cobalt zinc orthophosphate monohydrate","","- Co2.59 H2 O9 P2 Zn0.41 -","- Co2.59 H2 O9 P2 Zn0.41 -","- Co10.36 H8 O36 P8 Zn1.64 -","4","1","","Sørensen, Morten B; Hazell, Rita G.; Bentien, Anders; Bond, Andrew D.; Jensen, Torben R.","Two new cobalt-zinc orthophosphate monohydrates: hydrothermal synthesis, crystal structures and thermal investigation.","Dalton transactions (Cambridge, England : 2003)","2005","","3","598","606","10.1039/b412473a","","","0.71073","MoKα","","","0.032","","","","0.043","","","","","","1.37","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7007922","8.7021","0.0006","4.8662","0.0003","16.6722","0.0011","90","","95.388","0.003","90","","702.88","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cobalt zinc orthophosphate monohydrate","Cobalt zinc orthophosphate monohydrate","","- Co0.72 H2 O9 P2 Zn2.28 -","- Co0.723 H2 O9 P2 Zn2.277 -","- Co2.892 H8 O36 P8 Zn9.108 -","4","1","","Sørensen, Morten B; Hazell, Rita G.; Bentien, Anders; Bond, Andrew D.; Jensen, Torben R.","Two new cobalt-zinc orthophosphate monohydrates: hydrothermal synthesis, crystal structures and thermal investigation.","Dalton transactions (Cambridge, England : 2003)","2005","","3","598","606","10.1039/b412473a","","","0.71073","MoKα","","0.0202","0.0191","","","0.0513","0.0518","","","","","","1.145","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007923","13.167","0.0014","20.343","0.002","11.6337","0.0013","90","","90","","90","","3116.2","0.6","190","2","190","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H38 Fe2 N6 O13 -","- C30 H38 Fe2 N6 O13 -","- C120 H152 Fe8 N24 O52 -","4","1","","Brunner, Jens; Pritzkow, Hans; Krämer, Roland","Synthesis of a novel dinucleating aminocarboxylate macrocycle and structures of its dinuclear complexes with di- and trivalent transition and lanthanide metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","2","338","343","10.1039/b412775g","","","0.71073","MoKα","","0.0615","0.0446","","","0.1088","0.1209","","","","","","1.027","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7007924","6.2177","0.0007","11.8051","0.0012","16.2832","0.0017","93.933","0.002","97.753","0.002","100.204","0.002","1160.3","0.2","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H66 N6 O8 -","- C46 H66 N6 O8 -","- C46 H66 N6 O8 -","1","0.5","","Brunner, Jens; Pritzkow, Hans; Krämer, Roland","Synthesis of a novel dinucleating aminocarboxylate macrocycle and structures of its dinuclear complexes with di- and trivalent transition and lanthanide metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","2","338","343","10.1039/b412775g","","","0.71073","MoKα","","0.0727","0.0461","","","0.1108","0.1283","","","","","","1.032","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007925","21.247","0.003","9.8783","0.0014","18.99","0.003","90","","109.515","0.003","90","","3756.7","1","106","2","106","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 N6 O16 Zn2 -","- C30 H46 N6 O16 Zn2 -","- C120 H184 N24 O64 Zn8 -","4","0.5","","Brunner, Jens; Pritzkow, Hans; Krämer, Roland","Synthesis of a novel dinucleating aminocarboxylate macrocycle and structures of its dinuclear complexes with di- and trivalent transition and lanthanide metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","2","338","343","10.1039/b412775g","","","0.71073","MoKα","","0.0736","0.0396","","","0.0838","0.0973","","","","","","1.025","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007926","9.3229","0.0007","15.529","0.0011","31.113","0.002","90","","90","","90","","4504.4","0.5","103","2","103","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H58 La2 N8 O28 -","- C30 H46 La2 N8 O27.23 -","- C120 H184 La8 N32 O108.92 -","4","0.5","","Brunner, Jens; Pritzkow, Hans; Krämer, Roland","Synthesis of a novel dinucleating aminocarboxylate macrocycle and structures of its dinuclear complexes with di- and trivalent transition and lanthanide metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","2","338","343","10.1039/b412775g","","","0.71073","MoKα","","0.0563","0.0376","","","0.0827","0.0908","","","","","","1.062","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7007927","10.353","0.0005","13.0001","0.0006","18.6967","0.0008","91.064","0.001","103.082","0.001","93.949","0.001","2443.75","0.19","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H43 Eu2 N6 Na1.5 O17 -","- C36 H43 Eu2 N6 Na1.5 O17 -","- C72 H86 Eu4 N12 Na3 O34 -","2","1","","Brunner, Jens; Pritzkow, Hans; Krämer, Roland","Synthesis of a novel dinucleating aminocarboxylate macrocycle and structures of its dinuclear complexes with di- and trivalent transition and lanthanide metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","2","338","343","10.1039/b412775g","","","0.71073","MoKα","","0.0341","0.03","","","0.0818","0.0845","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007928","6.0565","0.0003","9.6934","0.0005","15.7351","0.0008","87.544","0.001","80.484","0.001","76.732","0.001","886.74","0.08","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H12.5 Cu F N3 O7 P2 V -","- C16 H12 Cu F N3 O7 P2 V -","- C32 H24 Cu2 F2 N6 O14 P4 V2 -","2","1","","Ouellette, Wayne; Golub, Vladimir; O'Connor, Charles J; Zubieta, Jon","Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium-copper-bisterpy-{O3P(CH2)nPO3}4- system, n= 1-5 (bisterpy = 2,2':4',4"":2"",2""'-quaterpyridyl-6', 6""-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2005","","2","291","309","10.1039/b412808g","","x-ray","0.71073","MoKα","","0.0513","0.0396","","","0.093","0.1018","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007929","10.2116","0.0006","10.7482","0.0006","11.0667","0.0006","108.915","0.001","109.916","0.001","100.453","0.001","1020.51","0.1","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H19 Cu F N3 O9 P2 V -","- C17 H15 Cu F N3 O9 P2 V -","- C34 H30 Cu2 F2 N6 O18 P4 V2 -","2","1","","Ouellette, Wayne; Golub, Vladimir; O'Connor, Charles J; Zubieta, Jon","Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium-copper-bisterpy-{O3P(CH2)nPO3}4- system, n= 1-5 (bisterpy = 2,2':4',4"":2"",2""'-quaterpyridyl-6', 6""-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2005","","2","291","309","10.1039/b412808g","","x-ray","0.71073","MoKα","","0.0529","0.0454","","","0.1201","0.125","","","","","","1.058","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007930","7.2914","0.0004","18.1119","0.001","12.9448","0.0007","90","","98.365","0.001","90","","1691.32","0.16","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Cu F2 N3 O5 P V -","- C16 H13 Cu F2 N3 O5 P V -","- C64 H52 Cu4 F8 N12 O20 P4 V4 -","4","1","","Ouellette, Wayne; Golub, Vladimir; O'Connor, Charles J; Zubieta, Jon","Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium-copper-bisterpy-{O3P(CH2)nPO3}4- system, n= 1-5 (bisterpy = 2,2':4',4"":2"",2""'-quaterpyridyl-6', 6""-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2005","","2","291","309","10.1039/b412808g","","x-ray","0.71073","MoKα","","0.0332","0.0291","","","0.073","0.0754","","","","","","1.041","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007931","20.8359","0.0009","13.3393","0.0006","15.8184","0.0007","90","","112.368","0.001","90","","4065.7","0.3","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 Cu F N3 O8 P2 V -","- C18 H16 Cu F N3 O8 P2 V -","- C144 H128 Cu8 F8 N24 O64 P16 V8 -","8","1","","Ouellette, Wayne; Golub, Vladimir; O'Connor, Charles J; Zubieta, Jon","Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium-copper-bisterpy-{O3P(CH2)nPO3}4- system, n= 1-5 (bisterpy = 2,2':4',4"":2"",2""'-quaterpyridyl-6', 6""-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2005","","2","291","309","10.1039/b412808g","","x-ray","0.71073","MoKα","","0.0562","0.0506","","","0.1358","0.1397","","","","","","1.048","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007932","11.0177","0.0007","15.1098","0.001","17.7349","0.0012","88.343","0.001","78.885","0.001","79.514","0.001","2848.6","0.3","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H44.9 Cu3 F3 N9 O20.9 P4 V4 -","- C51 H44 Cu3 F3 N9 O20.9 P4 V4 -","- C102 H88 Cu6 F6 N18 O41.8 P8 V8 -","2","1","","Ouellette, Wayne; Golub, Vladimir; O'Connor, Charles J; Zubieta, Jon","Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium-copper-bisterpy-{O3P(CH2)nPO3}4- system, n= 1-5 (bisterpy = 2,2':4',4"":2"",2""'-quaterpyridyl-6', 6""-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2005","","2","291","309","10.1039/b412808g","","x-ray","0.71073","MoKα","","0.078","0.056","","","0.1324","0.1434","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007933","10.8333","0.0007","13.7289","0.0009","15.8044","0.001","74.116","0.001","71.567","0.001","71.058","0.001","2070.5","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H35 Cu2 N6 O16.5 P4 V2 -","- C36 H34 Cu2 N6 O16.5 P4 V2 -","- C72 H68 Cu4 N12 O33 P8 V4 -","2","1","","Ouellette, Wayne; Golub, Vladimir; O'Connor, Charles J; Zubieta, Jon","Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium-copper-bisterpy-{O3P(CH2)nPO3}4- system, n= 1-5 (bisterpy = 2,2':4',4"":2"",2""'-quaterpyridyl-6', 6""-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2005","","2","291","309","10.1039/b412808g","","x-ray","0.71073","MoKα","","0.0767","0.0596","","","0.1401","0.1495","","","","","","1.073","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007934","13.3517","0.0008","14.1008","0.0009","15.2997","0.001","77.785","0.001","77.11","0.001","81.178","0.001","2727.2","0.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H49 Cu3 N9 O19.5 P4 V2 -","- C51 H44 Cu3 N9 O19.5 P4 V2 -","- C102 H88 Cu6 N18 O39 P8 V4 -","2","1","","Ouellette, Wayne; Golub, Vladimir; O'Connor, Charles J; Zubieta, Jon","Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium-copper-bisterpy-{O3P(CH2)nPO3}4- system, n= 1-5 (bisterpy = 2,2':4',4"":2"",2""'-quaterpyridyl-6', 6""-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2005","","2","291","309","10.1039/b412808g","","x-ray","0.71073","MoKα","","0.0566","0.0427","","","0.1014","0.1086","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007935","23.4642","0.0012","14.3545","0.0007","17.1194","0.0009","90","","127.5","0.001","90","","4574.6","0.4","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Cu F N3 O9 P2 V2 -","- C19 H18 Cu F N3 O9 P2 V2 -","- C152 H144 Cu8 F8 N24 O72 P16 V16 -","8","1","","Ouellette, Wayne; Golub, Vladimir; O'Connor, Charles J; Zubieta, Jon","Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium-copper-bisterpy-{O3P(CH2)nPO3}4- system, n= 1-5 (bisterpy = 2,2':4',4"":2"",2""'-quaterpyridyl-6', 6""-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2005","","2","291","309","10.1039/b412808g","","x-ray","0.71073","MoKα","","0.0913","0.054","","","0.1028","0.1162","","","","","","1.019","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007936","10.9835","0.0007","11.0327","0.0007","21.7243","0.0014","90.985","0.001","96.692","0.001","102.676","0.001","2548.4","0.3","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H46 Cu2 F4 N6 O19 P4 V4 -","- C40 H40 Cu2 F4 N6 O19 P4 V4 -","- C80 H80 Cu4 F8 N12 O38 P8 V8 -","2","1","","Ouellette, Wayne; Golub, Vladimir; O'Connor, Charles J; Zubieta, Jon","Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium-copper-bisterpy-{O3P(CH2)nPO3}4- system, n= 1-5 (bisterpy = 2,2':4',4"":2"",2""'-quaterpyridyl-6', 6""-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2005","","2","291","309","10.1039/b412808g","","x-ray","0.71073","MoKα","","0.0917","0.0564","","","0.1153","0.1281","","","","","","1.031","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007937","10.7766","0.0009","14.1439","0.0011","20.1563","0.0016","73.173","0.002","88.644","0.002","73.019","0.002","2806.3","0.4","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C42.5 H55.8 Cu2 F2 N6 O24.4 P5 V4 -","- C42.5 H45 Cu2 F2 N6 O24.4 P5 V4 -","- C85 H90 Cu4 F4 N12 O48.8 P10 V8 -","2","1","","Ouellette, Wayne; Golub, Vladimir; O'Connor, Charles J; Zubieta, Jon","Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium-copper-bisterpy-{O3P(CH2)nPO3}4- system, n= 1-5 (bisterpy = 2,2':4',4"":2"",2""'-quaterpyridyl-6', 6""-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2005","","2","291","309","10.1039/b412808g","","x-ray","0.71073","MoKα","","0.0816","0.0549","","","0.1275","0.1411","","","","","","1.01","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007938","9.966","0.002","30.966","0.006","10.167","0.002","90","","113.65","0.03","90","","2874.1","1.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N4 O3 -","- C36 H30 N4 O3 -","- C144 H120 N16 O12 -","4","1","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","A chiral [2]catenane self-assembled from meso-macrocycles of palladium(II).","Dalton transactions (Cambridge, England : 2003)","2005","","2","268","272","10.1039/b413258k","","","0.71073","MoKα","","0.0924","0.0622","","","0.1754","0.196","","","","","","1.06","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007939","33.094","0.007","14.712","0.003","35.077","0.007","90","","107.77","0.03","90","","16263","6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C138.1 H106.2 Cl28.2 N16 O8 Pd4 -","- C138.1 H106.2 Cl28.2 N16 O8 Pd4 -","- C552.4 H424.8 Cl112.8 N64 O32 Pd16 -","4","0.5","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","A chiral [2]catenane self-assembled from meso-macrocycles of palladium(II).","Dalton transactions (Cambridge, England : 2003)","2005","","2","268","272","10.1039/b413258k","","","0.71073","MoKα","","0.1171","0.0871","","","0.2563","0.2853","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007940","13.8372","0.0007","14.755","0.0007","16.8022","0.0008","103.488","0.001","95.663","0.001","93.03","0.001","3309.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H80.1 Cl2 N4 O8.05 Zn2 -","- C56.95 H74.5 Cl2 N4 O8.05 Zn2 -","- C113.9 H149 Cl4 N8 O16.1 Zn4 -","2","1","","Fontecha, Julia Barreira; Goetz, Sandrine; McKee, Vickie","Dinuclear complexes of a pseudocalixarene macrocycle: structural consequences of intramolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2005","","5","923","929","10.1039/b413639j","","","0.71073","MoKα","","0.0827","0.0722","","","0.2137","0.2262","","","","","","1.073","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007941","27.9433","0.0017","13.7494","0.0008","18.862","0.0011","90","","90","","90","","7246.8","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C64 H104 Cl2 Co2 N4 O21 -","- C64 H102 Cl2 Co2 N4 O21 -","- C256 H408 Cl8 Co8 N16 O84 -","4","0.5","","Fontecha, Julia Barreira; Goetz, Sandrine; McKee, Vickie","Dinuclear complexes of a pseudocalixarene macrocycle: structural consequences of intramolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2005","","5","923","929","10.1039/b413639j","","","0.71073","MoKα","","0.1362","0.0992","","","0.2476","0.2786","","","","","","1.091","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007942","27.9805","0.0012","13.705","0.0006","18.8743","0.0008","90","","90","","90","","7237.8","0.5","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C64 H104 Cl2 N4 Ni2 O21 -","- C64 H102 Cl2 N4 Ni2 O21 -","- C256 H408 Cl8 N16 Ni8 O84 -","4","0.5","","Fontecha, Julia Barreira; Goetz, Sandrine; McKee, Vickie","Dinuclear complexes of a pseudocalixarene macrocycle: structural consequences of intramolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2005","","5","923","929","10.1039/b413639j","","","0.71073","MoKα","","0.084","0.0764","","","0.1899","0.1949","","","","","","1.196","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007943","13.3462","0.0005","31.9837","0.0013","16.4255","0.0006","90","","99.614","0.001","90","","6912.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H90 N10 Ni2 O17 -","- C61 H85 N9 Ni2 O15 -","- C244 H340 N36 Ni8 O60 -","4","1","","Fontecha, Julia Barreira; Goetz, Sandrine; McKee, Vickie","Dinuclear complexes of a pseudocalixarene macrocycle: structural consequences of intramolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2005","","5","923","929","10.1039/b413639j","","","0.71073","MoKα","","0.0902","0.0627","","","0.1767","0.1922","","","","","","1.127","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007944","41.2744","0.0013","41.2744","0.0013","13.2831","0.0006","90","","90","","90","","22628.8","1.4","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C54 H72 N6 O13 Zn2 -","- C54 H71 N6 O13 Zn2 -","- C864 H1136 N96 O208 Zn32 -","16","1","","Fontecha, Julia Barreira; Goetz, Sandrine; McKee, Vickie","Dinuclear complexes of a pseudocalixarene macrocycle: structural consequences of intramolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2005","","5","923","929","10.1039/b413639j","","","0.71073","MoKα","","0.0686","0.051","","","0.143","0.1521","","","","","","1.231","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007945","11.8935","0.0008","19.5914","0.0013","32.009","0.002","90","","100.683","0.001","90","","7329.2","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62.7 H90.5 Cl2 Mn2 N6.5 O9.8 S -","- C62.7 H88.5 Cl2 Mn2 N6.5 O9.8 S -","- C250.8 H354 Cl8 Mn8 N26 O39.2 S4 -","4","1","","Fontecha, Julia Barreira; Goetz, Sandrine; McKee, Vickie","Dinuclear complexes of a pseudocalixarene macrocycle: structural consequences of intramolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2005","","5","923","929","10.1039/b413639j","","","0.71073","MoKα","","0.0925","0.0658","","","0.1874","0.2055","","","","","","1.079","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007946","6.717","0.002","6.717","0.002","18.951","0.002","90","","90","","120","","740.5","0.3","213","2","213","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C6 H6 Ag3 La N6 O3 -","- C6 H6 Ag3 La N6 O3 -","- C12 H12 Ag6 La2 N12 O6 -","2","0.0833333","","Colis, Julie Clarissa F.; Larochelle, Christie; Staples, Richard; Herbst-Irmer, Regine; Patterson, Howard","Structural studies of lanthanide ion complexes of pure gold, pure silver and mixed metal (gold-silver) dicyanides.","Dalton transactions (Cambridge, England : 2003)","2005","","4","675","679","10.1039/b413967d","","x-ray","0.71073","MoKα","","0.0177","0.0173","","","0.0415","0.0417","","","","","","1.297","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007947","6.692","0.002","6.692","0.002","18.943","0.002","90","","90","","120","","734.7","0.3","213","2","213","2","","","","","","","","7","P 63/m c m","-P 6c 2","193","","","","- C6 H6 Ag2.5 Au0.5 La N6 O3 -","- C6 H6 Ag2.499 Au0.501 La N6 O3 -","- C12 H12 Ag4.998 Au1.002 La2 N12 O6 -","2","0.0833333","","Colis, Julie Clarissa F.; Larochelle, Christie; Staples, Richard; Herbst-Irmer, Regine; Patterson, Howard","Structural studies of lanthanide ion complexes of pure gold, pure silver and mixed metal (gold-silver) dicyanides.","Dalton transactions (Cambridge, England : 2003)","2005","","4","675","679","10.1039/b413967d","","","0.71073","MoKα","","0.0382","0.0374","","","0.0556","0.0558","","","","","","1.534","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007948","6.664","0.004","6.664","0.004","18.871","0.014","90","","90","","120","","725.8","0.8","293","2","293","2","","","","","","","","7","P 63/m c m","-P 6c 2","193","","","","- C6 H6 Ag Au2 La N6 O3 -","- C6 H6 Ag1.152 Au1.848 La N6 O3 -","- C12 H12 Ag2.304 Au3.696 La2 N12 O6 -","2","0.0833333","","Colis, Julie Clarissa F.; Larochelle, Christie; Staples, Richard; Herbst-Irmer, Regine; Patterson, Howard","Structural studies of lanthanide ion complexes of pure gold, pure silver and mixed metal (gold-silver) dicyanides.","Dalton transactions (Cambridge, England : 2003)","2005","","4","675","679","10.1039/b413967d","","","0.71073","MoKα","","0.0433","0.0417","","","0.0759","0.0767","","","","","","1.429","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007949","6.664","0.002","6.664","0.002","18.741","0.003","90","","90","","120","","720.8","0.3","213","2","213","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C6 H6 Au3 La N6 O3 -","- C6 H6 Au3 La N6 O3 -","- C12 H12 Au6 La2 N12 O6 -","2","0.0833333","","Colis, Julie Clarissa F.; Larochelle, Christie; Staples, Richard; Herbst-Irmer, Regine; Patterson, Howard","Structural studies of lanthanide ion complexes of pure gold, pure silver and mixed metal (gold-silver) dicyanides.","Dalton transactions (Cambridge, England : 2003)","2005","","4","675","679","10.1039/b413967d","","","0.71073","MoKα","","0.0569","0.0544","","","0.0821","0.083","","","","","","1.327","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007950","11.597","0.002","14.866","0.004","9.855","0.002","99.28","0.02","110.98","0.01","84.53","0.02","1564.3","0.6","293.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Cl2 Fe N6 O8 -","- C29 H32 Cl2 Fe N6 O8 -","- C58 H64 Cl4 Fe2 N12 O16 -","2","1","","Kurosaki, Hiromasa; Ishikawa, Yoshinobu; Ishihara, Takao; Yamamoto, Teruo; Yamaguchi, Yoshihiro; Goto, Masafumi","Mechanism of formation of iron(II) complexes with pentadentate ligands via C-C bond formation between trans-[Fe(2,4-bis(2-pyridylmethylimino)pentane)(MeCN)2]ClO4]2.MeCN and various nitriles.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1086","1092","10.1039/b414207a","","","0.7107","MoKα","","","0.0529","","","","0.0392","","","","","","1.865","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007951","7.385","0.0015","31.797","0.006","9.815","0.002","90","","102.5","0.03","90","","2250.1","0.8","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 2a","","","- C21 H26 Cl3 N O2 Ti -","- C21 H26 Cl3 N O2 Ti -","- C84 H104 Cl12 N4 O8 Ti4 -","4","1","","Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.","The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","561","571","10.1039/b414229b","","","0.71073","Mo-Kα","","0.1406","0.0882","","","0.2088","0.2371","","","","","","0.931","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007952","9.88","0.001","19.315","0.001","15.511","0.006","90","","102.8","0.01","90","","2886.4","1.2","140","1","140","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Compound 3b","","","- C23 H30 Cl7 N O Ti2 -","- C23 H30 Cl7 N O Ti2 -","- C92 H120 Cl28 N4 O4 Ti8 -","4","1","","Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.","The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","561","571","10.1039/b414229b","","","0.71073","Mo-Kα","","0.042","0.0343","","","0.0912","0.0941","","","","","","1.043","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007953","9.6328","0.0005","14.9548","0.0008","14.9811","0.0008","90","","90","","90","","2158.1","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Complex 4c","","","- C20 H24 Cl3 N O Ti -","- C20 H24 Cl3 N O Ti -","- C80 H96 Cl12 N4 O4 Ti4 -","4","1","","Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.","The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","561","571","10.1039/b414229b","","","0.6984","synchrotron","","0.0383","0.0317","","","0.0772","0.0807","","","","","","1.027","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007954","7.912","0.0016","10.469","0.002","15.803","0.003","91.76","0.03","102.27","0.03","94.09","0.03","1274.4","0.5","140","1","140","1","","","","","","","","6","P -1","-P 1","2","Complex 5c","","","- C24 H32 Cl3 N O2 Ti -","- C24 H32 Cl3 N O2 Ti -","- C48 H64 Cl6 N2 O4 Ti2 -","2","1","","Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.","The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","561","571","10.1039/b414229b","","","0.71073","MoKα","","0.0405","0.0365","","","0.1046","0.1067","","","","","","1.078","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007955","7.2176","0.0002","34.4138","0.0009","9.3904","0.0002","90","","96.574","0.001","90","","2317.1","0.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex 5e","","","- C21 H21 Cl3 F5 N O2 Ti -","- C21 H21 Cl3 F5 N O2 Ti -","- C84 H84 Cl12 F20 N4 O8 Ti4 -","4","1","","Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.","The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","561","571","10.1039/b414229b","","","0.71073","MoKα","","0.0915","0.0438","","","0.0788","0.0915","","","","","","0.995","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007956","15.2","0.003","16.336","0.003","27.71","0.006","90","","90","","90","","6881","2","140","1","140","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","Complex 6b","","","- C34 H46 Cl3 N O2 Zr -","- C34 H46 Cl3 N O2 Zr -","- C272 H368 Cl24 N8 O16 Zr8 -","8","1","","Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.","The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","561","571","10.1039/b414229b","","","0.71073","MoKα","","0.0416","0.0311","","","0.0787","0.082","","","","","","0.994","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007957","25.5401","0.0008","16.4653","0.0006","18.4558","0.0006","90","","129.333","0.002","90","","6003","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Complex 6d","","","- C28 H32 Cl5 N O2 Zr -","- C28.5 H33 Cl5 N O2 Zr -","- C228 H264 Cl40 N8 O16 Zr8 -","8","1","","Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.","The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","561","571","10.1039/b414229b","","","0.71073","MoKα","","0.0761","0.0641","","","0.1599","0.1689","","","","","","1.114","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007958","7.4949","0.0001","9.4703","0.0002","17.3848","0.0005","82.699","0.001","80.748","0.001","87.446","0.002","1207.66","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","Complex 6e","","","- C21 H21 Cl3 F5 N O2 Zr -","- C21 H21 Cl3 F5 N O2 Zr -","- C42 H42 Cl6 F10 N2 O4 Zr2 -","2","1","","Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.","The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","561","571","10.1039/b414229b","","","0.71073","MoKα","","0.0399","0.0353","","","0.092","0.0952","","","","","","1.054","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007959","10.5359","0.0004","8.3775","0.0004","20.2839","0.001","90","","101.35","0.003","90","","1755.34","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Complex 7","","","- C15 H21 Cl3 O3 Ti -","- C15 H21 Cl3 O3 Ti -","- C60 H84 Cl12 O12 Ti4 -","4","1","","Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.","The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","561","571","10.1039/b414229b","","","0.71073","MoKα","","0.1749","0.1491","","","0.3535","0.3641","","","","","","1.147","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007960","12.21","0.0002","17.9411","0.0002","19.7477","0.0001","72.598","0.001","81.218","0.001","88.873","0.001","4078","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Cu2 N10 O6.5 -","- C42 H40.772 Cu2 N10 O6.5 -","- C168 H163.088 Cu8 N40 O26 -","4","2","","Alcock, Nathaniel W.; Clarkson, Guy; Glover, Peter B.; Lawrance, Geoffrey A.; Moore, Peter; Napitupulu, Mery","Complexes of 2,6-bis[N-(2'-pyridylmethyl)carbamyl]pyridine: formation of mononuclear complexes, and self-assembly of double helical dinuclear and tetranuclear copper(II) and trinuclear nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","518","527","10.1039/b414251a","","","0.71073","MoKα","","0.0792","0.0452","","","0.1018","0.1147","","","","","","0.978","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007961","20.9193","0.0006","22.0981","0.0007","13.0496","0.0004","90","","99.438","0.001","90","","5950.9","0.3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H55 Cu4 N12 O20 -","- C56 H46 Cu4 N12 O20 -","- C224 H184 Cu16 N48 O80 -","4","0.5","","Alcock, Nathaniel W.; Clarkson, Guy; Glover, Peter B.; Lawrance, Geoffrey A.; Moore, Peter; Napitupulu, Mery","Complexes of 2,6-bis[N-(2'-pyridylmethyl)carbamyl]pyridine: formation of mononuclear complexes, and self-assembly of double helical dinuclear and tetranuclear copper(II) and trinuclear nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","518","527","10.1039/b414251a","","","0.71073","MoKα","","0.1031","0.0537","","","0.114","0.1328","","","","","","1.103","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007962","14.4465","0.0009","15.0309","0.0009","21.0726","0.0013","91.296","0.001","97.028","0.001","106.394","0.001","4348.9","0.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H51 Co N10 O14 -","- C38 H48.5 Co N10 O14 -","- C152 H194 Co4 N40 O56 -","4","2","","Alcock, Nathaniel W.; Clarkson, Guy; Glover, Peter B.; Lawrance, Geoffrey A.; Moore, Peter; Napitupulu, Mery","Complexes of 2,6-bis[N-(2'-pyridylmethyl)carbamyl]pyridine: formation of mononuclear complexes, and self-assembly of double helical dinuclear and tetranuclear copper(II) and trinuclear nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","518","527","10.1039/b414251a","","","0.71073","MoKα","","0.1646","0.0653","","","0.1192","0.1506","","","","","","0.916","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007963","21.997","0.0009","22.7871","0.0009","21.3414","0.0009","90","","92.417","0.001","90","","10687.8","0.8","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.75 H46 N10 Ni3 O11.75 -","- C49.75 H44 N10 Ni3 O11.75 -","- C398 H352 N80 Ni24 O94 -","8","2","","Alcock, Nathaniel W.; Clarkson, Guy; Glover, Peter B.; Lawrance, Geoffrey A.; Moore, Peter; Napitupulu, Mery","Complexes of 2,6-bis[N-(2'-pyridylmethyl)carbamyl]pyridine: formation of mononuclear complexes, and self-assembly of double helical dinuclear and tetranuclear copper(II) and trinuclear nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","518","527","10.1039/b414251a","","","0.71073","MoKα","","0.172","0.0751","","","0.1647","0.2097","","","","","","1.009","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007964","7.1769","0.0004","21.8946","0.0013","10.2138","0.0006","90","","90.029","0.001","90","","1604.95","0.16","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N5 Ni O2 -","- C19 H15 N5 Ni O2 -","- C76 H60 N20 Ni4 O8 -","4","1","","Alcock, Nathaniel W.; Clarkson, Guy; Glover, Peter B.; Lawrance, Geoffrey A.; Moore, Peter; Napitupulu, Mery","Complexes of 2,6-bis[N-(2'-pyridylmethyl)carbamyl]pyridine: formation of mononuclear complexes, and self-assembly of double helical dinuclear and tetranuclear copper(II) and trinuclear nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","518","527","10.1039/b414251a","","","0.71073","MoKα","","0.0909","0.0465","","","0.0811","0.0942","","","","","","1.003","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007965","23.5075","0.0007","9.0184","0.0003","22.3163","0.0006","90","","90","","90","","4731.1","0.2","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H52 N10 Ni3 O12 -","- C46 H52 N10 Ni3 O12 -","- C184 H208 N40 Ni12 O48 -","4","0.5","","Alcock, Nathaniel W.; Clarkson, Guy; Glover, Peter B.; Lawrance, Geoffrey A.; Moore, Peter; Napitupulu, Mery","Complexes of 2,6-bis[N-(2'-pyridylmethyl)carbamyl]pyridine: formation of mononuclear complexes, and self-assembly of double helical dinuclear and tetranuclear copper(II) and trinuclear nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","518","527","10.1039/b414251a","","","0.71073","MoKα","","0.1093","0.0536","","","0.1049","0.1225","","","","","","1.03","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007966","10.24","0.006","10.399","0.006","12.075","0.007","109.01","0.014","97.068","0.011","96.52","0.014","1190.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H48 B2 K2 N12 O2 -","- C50 H48 B2 K2 N12 O2 -","- C50 H48 B2 K2 N12 O2 -","1","0.5","","Song, Datong; Jia, Wen Li; Wu, Gang; Wang, Suning","Cu(I) and Zn(II) complexes of 7-azaindole-containing scorpionates: structures, luminescence and fluxionality.","Dalton transactions (Cambridge, England : 2003)","2005","","3","433","438","10.1039/b414328k","","","0.71073","MoKα","","0.1042","0.0417","","","0.0839","0.0954","","","","","","0.773","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007967","9.33","0.003","12.373","0.003","12.819","0.004","110.838","0.007","101.423","0.008","110.095","0.007","1209.3","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","2","","","- C25 H24 B Cl N6 O Zn -","- C25 H16 B Cl N6 O Zn -","- C50 H32 B2 Cl2 N12 O2 Zn2 -","2","1","","Song, Datong; Jia, Wen Li; Wu, Gang; Wang, Suning","Cu(I) and Zn(II) complexes of 7-azaindole-containing scorpionates: structures, luminescence and fluxionality.","Dalton transactions (Cambridge, England : 2003)","2005","","3","433","438","10.1039/b414328k","","","0.71073","MoKα","","0.2936","0.0683","","","0.11","0.1452","","","","","","0.686","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007968","9.697","0.003","11.888","0.004","16.584","0.005","71.728","0.005","73.666","0.005","79.474","0.005","1732.7","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","3","","","- C39 H31 B Cu N6 P -","- C39 H29.5 B Cu N6 P -","- C78 H59 B2 Cu2 N12 P2 -","2","1","","Song, Datong; Jia, Wen Li; Wu, Gang; Wang, Suning","Cu(I) and Zn(II) complexes of 7-azaindole-containing scorpionates: structures, luminescence and fluxionality.","Dalton transactions (Cambridge, England : 2003)","2005","","3","433","438","10.1039/b414328k","","","0.71073","MoKα","","0.0738","0.0481","","","0.1177","0.1488","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007969","11.7118","0.0002","12.2606","0.0003","12.6611","0.0003","101.986","0.001","94.742","0.002","112.549","0.001","1615.74","0.06","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H42 F6 In N2 -","- C32 H42 F6 In N2 -","- C64 H84 F12 In2 N4 -","2","1","","Hill, Michael S.; Hitchcock, Peter B.; Pongtavornpinyo, Ruti","Neutral carbene analogues of the heaviest Group 13 elements: consideration of electronic and steric effects on structure and stability.","Dalton transactions (Cambridge, England : 2003)","2005","","2","273","277","10.1039/b414462g","","x-ray","0.71073","MoKα","","0.037","0.0314","","","0.0744","0.0774","","","","","","1.038","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007970","12.85","0.0003","17.4867","0.0005","12.8901","0.0002","90","","102.355","0.001","90","","2829.38","0.11","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 N2 Tl -","- C29 H41 N2 Tl -","- C116 H164 N8 Tl4 -","4","1","","Hill, Michael S.; Hitchcock, Peter B.; Pongtavornpinyo, Ruti","Neutral carbene analogues of the heaviest Group 13 elements: consideration of electronic and steric effects on structure and stability.","Dalton transactions (Cambridge, England : 2003)","2005","","2","273","277","10.1039/b414462g","","x-ray","0.71073","MoKα","","0.0601","0.0438","","","0.0807","0.0868","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007971","11.583","0.003","13.466","0.003","15.253","0.004","90","","108.883","0.003","90","","2251.1","1","153.1","","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 O7 S V -","- C20 H24 N4 O7 S V -","- C80 H96 N16 O28 S4 V4 -","4","1","","Tajika, Yasunobu; Tsuge, Kiyoshi; Sasaki, Yoichi","Mononuclear oxovanadium complexes of tris(2-pyridylmethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1438","1447","10.1039/b414532a","","","0.7107","Molybdenum","","","0.0448","","","","0.1507","","","","","","1.629","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007972","11.797","0.002","14.829","0.002","14.162","0.002","90","","99.0217","0.0009","90","","2446.8","0.6","153.1","","153.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Cl F6 N5 O P V -","- C20 H21 Cl F6 N5 O P V -","- C80 H84 Cl4 F24 N20 O4 P4 V4 -","4","1","","Tajika, Yasunobu; Tsuge, Kiyoshi; Sasaki, Yoichi","Mononuclear oxovanadium complexes of tris(2-pyridylmethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1438","1447","10.1039/b414532a","","","0.7107","Molybdenum","","","0.0516","","","","0.1397","","","","","","1.484","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007973","11.324","0.002","15.28","0.003","14.376","0.003","90","","99.061","0.004","90","","2456.4","0.8","223.2","","153","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br F6 N5 O P V -","- C20 H21 Br F6 N5 O P V -","- C80 H84 Br4 F24 N20 O4 P4 V4 -","4","1","","Tajika, Yasunobu; Tsuge, Kiyoshi; Sasaki, Yoichi","Mononuclear oxovanadium complexes of tris(2-pyridylmethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1438","1447","10.1039/b414532a","","","0.7107","Molybdenum","","","0.0436","","","","0.1269","","","","","","1.618","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007974","9.0018","0.0002","16.064","0.002","28.6544","0.0009","90","","101.714","0.0007","90","","4057.3","0.5","113.15","","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18.5 H23 Cl N4 O5 V -","- C18.5 H19.5 Cl N4 O5 V -","- C148 H156 Cl8 N32 O40 V8 -","8","2","","Tajika, Yasunobu; Tsuge, Kiyoshi; Sasaki, Yoichi","Mononuclear oxovanadium complexes of tris(2-pyridylmethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1438","1447","10.1039/b414532a","","","0.7107","Molybdenum","","","0.0607","","","","0.1654","","","","","","1.75","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007975","12.441","0.004","11.619","0.003","15.152","0.004","90","","111.914","0.004","90","","2032","1","153.1","","153.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F6 N4 O2 P V -","- C18 H18 F6 N4 O2 P V -","- C72 H72 F24 N16 O8 P4 V4 -","4","1","","Tajika, Yasunobu; Tsuge, Kiyoshi; Sasaki, Yoichi","Mononuclear oxovanadium complexes of tris(2-pyridylmethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1438","1447","10.1039/b414532a","","","0.7107","Molybdenum","","","0.0386","","","","0.1042","","","","","","1.183","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007976","8.485","0.003","11.126","0.003","12.709","0.003","64.488","0.01","71.58","0.01","88.72","0.02","1018.2","0.5","153.1","","153.15","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H36 Cl2 F12 N8 O P2 V2 -","- C36 H36 Cl2 F12 N8 O P2 V2 -","- C36 H36 Cl2 F12 N8 O P2 V2 -","1","0.5","","Tajika, Yasunobu; Tsuge, Kiyoshi; Sasaki, Yoichi","Mononuclear oxovanadium complexes of tris(2-pyridylmethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1438","1447","10.1039/b414532a","","","0.7107","Molybdenum","","","0.0408","","","","0.1178","","","","","","1.566","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007977","11.333","0.001","26.0777","0.001","12.6339","0.001","90","","92.771","0.001","90","","3729.4","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H42 Cl2 N2 P2 Pd -","- C42 H42 Cl2 N2 P2 Pd -","- C168 H168 Cl8 N8 P8 Pd4 -","4","2","","Zijp, Eric J.; van der Vlugt, Jarl Ivar; Tooke, Duncan M.; Spek, Anthony L.; Vogt, Dieter","Chiral bidentate aminophosphine ligands: synthesis, coordination chemistry and asymmetric catalysis.","Dalton transactions (Cambridge, England : 2003)","2005","","3","512","517","10.1039/b414668a","","","0.71073","MoKα","","0.0279","0.0219","","","0.0428","0.0444","","","","","","1.037","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007978","26.783","0.003","9.0389","0.0011","17.712","0.002","90","","90","","90","","4287.9","0.9","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C36 H45 Cl2 F6 Fe N3 O6 S2 -","- C36 H45 Cl2 F6 Fe N3 O6 S2 -","- C144 H180 Cl8 F24 Fe4 N12 O24 S8 -","4","1","","Britovsek, George J. P.; England, Jason; Spitzmesser, Stefan K.; White, Andrew J. P.; Williams, David J.","Synthesis of iron(II), manganese(II) cobalt(II) and ruthenium(II) complexes containing tridentate nitrogen ligands and their application in the catalytic oxidation of alkanes.","Dalton transactions (Cambridge, England : 2003)","2005","","5","945","955","10.1039/b414813d","","","0.71073","MoKα","","0.0845","0.0492","","0.1231","0.1045","","","","1.025","1.102","1.102","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007979","20.401","0.001","12.6433","0.0006","21.1155","0.0015","90","","116.516","0.004","90","","4873.5","0.5","183","2","183","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 Cl4 F9 Fe N4 O3 S Sb -","- C38 H48 Cl4 F9 Fe N4 O3 S Sb -","- C152 H192 Cl16 F36 Fe4 N16 O12 S4 Sb4 -","4","1","","Britovsek, George J. P.; England, Jason; Spitzmesser, Stefan K.; White, Andrew J. P.; Williams, David J.","Synthesis of iron(II), manganese(II) cobalt(II) and ruthenium(II) complexes containing tridentate nitrogen ligands and their application in the catalytic oxidation of alkanes.","Dalton transactions (Cambridge, England : 2003)","2005","","5","945","955","10.1039/b414813d","","","1.54178","CuKα","","0.077","0.0589","","0.166","0.1495","","","","1.013","1.056","1.056","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007980","12.356","0.004","22.688","0.006","15.762","0.007","90","","104.16","0.04","90","","4284","3","203","2","203","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H38 Cl2 F12 Fe N6 Sb2 -","- C32 H38 Cl2 F12 Fe N6 Sb2 -","- C128 H152 Cl8 F48 Fe4 N24 Sb8 -","4","1","","Britovsek, George J. P.; England, Jason; Spitzmesser, Stefan K.; White, Andrew J. P.; Williams, David J.","Synthesis of iron(II), manganese(II) cobalt(II) and ruthenium(II) complexes containing tridentate nitrogen ligands and their application in the catalytic oxidation of alkanes.","Dalton transactions (Cambridge, England : 2003)","2005","","5","945","955","10.1039/b414813d","","","0.71073","MoKα","","0.0459","0.0394","","","0.0942","0.0976","","","","","","1.028","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007981","15.823","0.003","37.885","0.003","15.047","0.003","90","","96.268","0.015","90","","8966","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32.38 H38.75 Cl2.75 F12 N6 Ru Sb2 -","- C32.375 H38.75 Cl2.75 F12 N6 Ru Sb2 -","- C259 H310 Cl22 F96 N48 Ru8 Sb16 -","8","2","","Britovsek, George J. P.; England, Jason; Spitzmesser, Stefan K.; White, Andrew J. P.; Williams, David J.","Synthesis of iron(II), manganese(II) cobalt(II) and ruthenium(II) complexes containing tridentate nitrogen ligands and their application in the catalytic oxidation of alkanes.","Dalton transactions (Cambridge, England : 2003)","2005","","5","945","955","10.1039/b414813d","","","1.54178","CuKα","","0.1341","0.0693","","0.1972","0.1481","","","","1.056","1.127","1.127","","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007982","12.9005","0.0016","12.7266","0.0016","22.4334","0.0017","90","","91.068","0.008","90","","3682.5","0.7","203","2","203","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Cl2 F6 Mn N3 O7 S2 -","- C28 H31 Cl2 F6 Mn N3 O7 S2 -","- C112 H124 Cl8 F24 Mn4 N12 O28 S8 -","4","1","","Britovsek, George J. P.; England, Jason; Spitzmesser, Stefan K.; White, Andrew J. P.; Williams, David J.","Synthesis of iron(II), manganese(II) cobalt(II) and ruthenium(II) complexes containing tridentate nitrogen ligands and their application in the catalytic oxidation of alkanes.","Dalton transactions (Cambridge, England : 2003)","2005","","5","945","955","10.1039/b414813d","","","0.71073","MoKα","","0.0834","0.0501","","","0.1126","0.1241","","","","","","1.018","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007983","16.976","0.01","10.567","0.006","15.275","0.009","90","","95.938","0.012","90","","2725","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Aqua(2,2'-bipyridine)(2,2':6',2''-terpyridine)- ruthenium(II)]bis(hexafluorophosphate)","","- C25 H21 F12 N5 O P2 Ru -","- C25 H21 F12 N5 O P2 Ru -","- C100 H84 F48 N20 O4 P8 Ru4 -","4","1","","Yang, Xiao-Juan; Drepper, Friedrich; Wu, Biao; Sun, Wen-Hua; Haehnel, Wolfgang; Janiak, Christoph","From model compounds to protein binding: syntheses, characterizations and fluorescence studies of [RuII(bipy)(terpy)L]2+ complexes (bipy = 2,2'-bipyridine; terpy = 2,2':6',2''-terpyridine; L = imidazole, pyrazole and derivatives, cytochrome c).","Dalton transactions (Cambridge, England : 2003)","2005","","2","256","267","10.1039/b414999h","","","0.71073","MoKα","","0.0908","0.0702","","","0.145","0.1584","","","","","","0.92","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7007984","18.9571","0.0012","13.732","0.0009","17.7831","0.0011","90","","115.765","0.001","90","","4169.1","0.5","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(2,2'-Bipyridine)(4,5-diphenylimidazole)(2,2':6',2''-terpyridine)- ruthenium(II)]bis(hexafluorophosphate).methanol","","- C41 H35 F12 N7 O P2 Ru -","- C41 H35 F12 N7 O P2 Ru -","- C164 H140 F48 N28 O4 P8 Ru4 -","4","1","","Yang, Xiao-Juan; Drepper, Friedrich; Wu, Biao; Sun, Wen-Hua; Haehnel, Wolfgang; Janiak, Christoph","From model compounds to protein binding: syntheses, characterizations and fluorescence studies of [RuII(bipy)(terpy)L]2+ complexes (bipy = 2,2'-bipyridine; terpy = 2,2':6',2''-terpyridine; L = imidazole, pyrazole and derivatives, cytochrome c).","Dalton transactions (Cambridge, England : 2003)","2005","","2","256","267","10.1039/b414999h","","","0.71073","MoKα","","0.079","0.0478","","","0.0831","0.0973","","","","","","1.122","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007985","35.704","0.003","10.4729","0.0008","18.4357","0.0014","90","","90","","90","","6893.6","0.9","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[(2,2'-Bipyridine)(indazole)(2,2':6',2''-terpyridine)- ruthenium(II)]bis(hexafluorophosphate)","","- C32 H25 F12 N7 P2 Ru -","- C32 H25 F12 N7 P2 Ru -","- C256 H200 F96 N56 P16 Ru8 -","8","1","","Yang, Xiao-Juan; Drepper, Friedrich; Wu, Biao; Sun, Wen-Hua; Haehnel, Wolfgang; Janiak, Christoph","From model compounds to protein binding: syntheses, characterizations and fluorescence studies of [RuII(bipy)(terpy)L]2+ complexes (bipy = 2,2'-bipyridine; terpy = 2,2':6',2''-terpyridine; L = imidazole, pyrazole and derivatives, cytochrome c).","Dalton transactions (Cambridge, England : 2003)","2005","","2","256","267","10.1039/b414999h","","","0.71073","MoKα","","0.0671","0.0442","","","0.1024","0.1138","","","","","","1.057","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007986","14.191","0.005","13.802","0.005","19.068","0.006","90","","99.049","0.007","90","","3688","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(2,2'-Bipyridine)(imidazole)(2,2':6',2''-terpyridine)- ruthenium(II)]bis(hexafluorophosphate)","","- C28 H23 F12 N7 P2 Ru -","- C28 H23 F12 N7 P2 Ru -","- C112 H92 F48 N28 P8 Ru4 -","4","1","","Yang, Xiao-Juan; Drepper, Friedrich; Wu, Biao; Sun, Wen-Hua; Haehnel, Wolfgang; Janiak, Christoph","From model compounds to protein binding: syntheses, characterizations and fluorescence studies of [RuII(bipy)(terpy)L]2+ complexes (bipy = 2,2'-bipyridine; terpy = 2,2':6',2''-terpyridine; L = imidazole, pyrazole and derivatives, cytochrome c).","Dalton transactions (Cambridge, England : 2003)","2005","","2","256","267","10.1039/b414999h","","","0.71073","MoKα","","0.2407","0.0814","","","0.0959","0.1158","","","","","","1.179","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007987","14.007","0.006","10.951","0.005","18.099","0.005","90","","101.57","0.03","90","","2719.8","1.9","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Aquobis(6,6'-dimethyl-2,2'-bipyridine)copper(II) perchlorate","","- C24 H26 Cl2 Cu N4 O9 -","- C24 H26 Cl2 Cu N4 O9 -","- C96 H104 Cl8 Cu4 N16 O36 -","4","1","","Itoh, Sumitaka; Kishikawa, Nobuyuki; Suzuki, Takayoshi; Takagi, Hideo D.","Syntheses, structural analyses and redox kinetics of four-coordinate [CuL2]2+ and five-coordinate [CuL2(solvent)]2+ complexes (L = 6,6'-dimethyl-2,2'-bipyridine or 2,9-dimethyl-1,10-phenanthroline): completely gated reduction reaction of [Cu(dmp)2]2+ in nitromethane.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1066","1078","10.1039/b415057k","","","0.71075","MoKα","","0.0829","0.0569","","","0.1321","0.1389","","","","","","1.015","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007988","9.939","0.008","14.511","0.011","19.074","0.017","74.06","0.08","86.3","0.07","78.02","0.07","2587","4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(6,6'-dimethyl-2,2'-bipyridine)copper(II) perchlorate","","- C24 H24 Cl2 Cu N4 O8 -","- C24 H24 Cl2 Cu N4 O8 -","- C96 H96 Cl8 Cu4 N16 O32 -","4","2","","Itoh, Sumitaka; Kishikawa, Nobuyuki; Suzuki, Takayoshi; Takagi, Hideo D.","Syntheses, structural analyses and redox kinetics of four-coordinate [CuL2]2+ and five-coordinate [CuL2(solvent)]2+ complexes (L = 6,6'-dimethyl-2,2'-bipyridine or 2,9-dimethyl-1,10-phenanthroline): completely gated reduction reaction of [Cu(dmp)2]2+ in nitromethane.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1066","1078","10.1039/b415057k","","","0.71075","MoKα","","0.0609","0.0398","","","0.0998","0.1062","","","","","","1.043","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007989","8.456","0.004","13.476","0.005","14.73","0.006","102.72","0.03","91.32","0.03","92.46","0.03","1634.9","1.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(2,9-dimethylphenanthroline)copper(II) perchlorate nitromethane solvate","","- C30 H30 Cl2 Cu N6 O12 -","- C30 H30 Cl2 Cu N6 O12 -","- C60 H60 Cl4 Cu2 N12 O24 -","2","1","","Itoh, Sumitaka; Kishikawa, Nobuyuki; Suzuki, Takayoshi; Takagi, Hideo D.","Syntheses, structural analyses and redox kinetics of four-coordinate [CuL2]2+ and five-coordinate [CuL2(solvent)]2+ complexes (L = 6,6'-dimethyl-2,2'-bipyridine or 2,9-dimethyl-1,10-phenanthroline): completely gated reduction reaction of [Cu(dmp)2]2+ in nitromethane.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1066","1078","10.1039/b415057k","","","0.71075","MoKα","","0.0834","0.057","","","0.1584","0.1694","","","","","","1","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007990","8.833","0.005","21.684","0.012","12.384","0.007","90","","95.68","0.04","90","","2360","2","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis(6,6'-dimethyl-2,2'-bipyridine)copper(I) perchlorate","","- C24 H24 Cl Cu N4 O4 -","- C24 H24 Cl Cu N4 O4 -","- C96 H96 Cl4 Cu4 N16 O16 -","4","1","","Itoh, Sumitaka; Kishikawa, Nobuyuki; Suzuki, Takayoshi; Takagi, Hideo D.","Syntheses, structural analyses and redox kinetics of four-coordinate [CuL2]2+ and five-coordinate [CuL2(solvent)]2+ complexes (L = 6,6'-dimethyl-2,2'-bipyridine or 2,9-dimethyl-1,10-phenanthroline): completely gated reduction reaction of [Cu(dmp)2]2+ in nitromethane.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1066","1078","10.1039/b415057k","","","0.71075","MoKα","","0.0911","0.0606","","","0.0971","0.1038","","","","","","1.001","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007991","13.4166","0.0019","11.8901","0.0006","18.106","0.002","90","","108.377","0.012","90","","2741.1","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 F3 N O2 P Pd -","- C29 H39 F3 N O2 P Pd -","- C116 H156 F12 N4 O8 P4 Pd4 -","4","1","","Bedford, Robin B.; Coles, Simon J.; Hursthouse, Michael B.; Scordia, Véronique J M","Polystyrene-supported dicyclohexylphenylphosphine adducts of amine- and phosphite-based palladacycles in the Suzuki coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2005","","5","991","995","10.1039/b415286g","","","0.71073","MoKα","","0.0395","0.0328","","","0.0775","0.0818","","","","","","1.033","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007992","10.4474","0.0004","14.1166","0.0009","23.8599","0.0012","84.786","0.005","79.565","0.004","78.851","0.004","3389.7","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H107 I2 O2 P3 Pt3 -","- C63 H107 I2 O2 P3 Pt3 -","- C126 H214 I4 O4 P6 Pt6 -","2","1","","Béni, Zoltán; Ros, Renzo; Tassan, Augusto; Scopelliti, Rosario; Roulet, Raymond","Oxidative addition of iodo-acetonitrile and of elemental halogens to [Pt3(mu-CO)3(PCy3)3].","Dalton transactions (Cambridge, England : 2003)","2005","","2","315","325","10.1039/b415311a","","","0.71073","MoKα","","0.0696","0.0509","","","0.138","0.1533","","","","","","1.074","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007993","14.1422","0.0008","14.2121","0.0008","23.2836","0.0009","79.497","0.004","81.349","0.004","61.811","0.006","4044.4","0.4","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C83.5 H129 I N O3 P3 Pt3 -","- C83.5 H117 I N O3 P3 Pt3 -","- C167 H234 I2 N2 O6 P6 Pt6 -","2","1","","Béni, Zoltán; Ros, Renzo; Tassan, Augusto; Scopelliti, Rosario; Roulet, Raymond","Oxidative addition of iodo-acetonitrile and of elemental halogens to [Pt3(mu-CO)3(PCy3)3].","Dalton transactions (Cambridge, England : 2003)","2005","","2","315","325","10.1039/b415311a","","","0.71073","MoKα","","0.0768","0.0489","","","0.1192","0.1386","","","","","","0.989","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007994","9.502","0.003","12.714","0.004","18.871","0.002","90","","91.247","0.018","90","","2279.2","1","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 I N O P Pt -","- C21 H35 I N O P Pt -","- C84 H140 I4 N4 O4 P4 Pt4 -","4","1","","Béni, Zoltán; Ros, Renzo; Tassan, Augusto; Scopelliti, Rosario; Roulet, Raymond","Oxidative addition of iodo-acetonitrile and of elemental halogens to [Pt3(mu-CO)3(PCy3)3].","Dalton transactions (Cambridge, England : 2003)","2005","","2","315","325","10.1039/b415311a","","","0.7107","MoKα","","0.0769","0.0676","","","0.1734","0.1809","","","","","","1.112","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007995","12.631","0.002","16.0541","0.0012","16.291","0.002","101.922","0.009","97.406","0.013","91.277","0.011","3201.2","0.7","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C62.5 H94 I2 O2 P2 Pt2 -","- C62.5 H90 I2 O2 P2 Pt2 -","- C125 H180 I4 O4 P4 Pt4 -","2","1","","Béni, Zoltán; Ros, Renzo; Tassan, Augusto; Scopelliti, Rosario; Roulet, Raymond","Oxidative addition of iodo-acetonitrile and of elemental halogens to [Pt3(mu-CO)3(PCy3)3].","Dalton transactions (Cambridge, England : 2003)","2005","","2","315","325","10.1039/b415311a","","","0.7107","MoKα","","0.0491","0.0416","","","0.1114","0.1193","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007996","10.04","0.003","10.192","0.003","13.542","0.003","86.73","0.02","74.46","0.03","63.32","0.03","1189.7","0.7","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H70 Cl4 I4 P2 Pt2 -","- C38 H70 Cl4 I4 P2 Pt2 -","- C38 H70 Cl4 I4 P2 Pt2 -","1","0.5","","Béni, Zoltán; Ros, Renzo; Tassan, Augusto; Scopelliti, Rosario; Roulet, Raymond","Oxidative addition of iodo-acetonitrile and of elemental halogens to [Pt3(mu-CO)3(PCy3)3].","Dalton transactions (Cambridge, England : 2003)","2005","","2","315","325","10.1039/b415311a","","","0.71073","MoKα","","0.1195","0.1024","","","0.2606","0.2838","","","","","","1.067","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007997","11.857","0.005","13.136","0.01","18.235","0.006","86.04","0.04","81.16","0.03","75.72","0.05","2718","3","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H70 Cl6 I2 O2 P2 Pt2 Sn -","- C40 H70 Cl6 I2 O2 P2 Pt2 Sn -","- C80 H140 Cl12 I4 O4 P4 Pt4 Sn2 -","2","1","","Béni, Zoltán; Ros, Renzo; Tassan, Augusto; Scopelliti, Rosario; Roulet, Raymond","Oxidative addition of iodo-acetonitrile and of elemental halogens to [Pt3(mu-CO)3(PCy3)3].","Dalton transactions (Cambridge, England : 2003)","2005","","2","315","325","10.1039/b415311a","","","0.7107","MoKα","","0.1579","0.126","","","0.3244","0.3586","","","","","","1.098","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007998","10.75","0.002","13.4635","0.0006","15.394","0.003","90","","90.668","0.016","90","","2227.9","0.6","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 Cl I O P Pt -","- C19 H33 Cl I O P Pt -","- C76 H132 Cl4 I4 O4 P4 Pt4 -","4","1","","Béni, Zoltán; Ros, Renzo; Tassan, Augusto; Scopelliti, Rosario; Roulet, Raymond","Oxidative addition of iodo-acetonitrile and of elemental halogens to [Pt3(mu-CO)3(PCy3)3].","Dalton transactions (Cambridge, England : 2003)","2005","","2","315","325","10.1039/b415311a","","","0.7107","MoKα","","0.0429","0.0397","","","0.1095","0.1144","","","","","","1.128","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007999","14.0408","0.0008","16.8481","0.001","9.3995","0.0005","90","","90","","90","","2223.6","0.2","140","2","140","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H33 Br2 O P Pt -","- C19 H33 Br2 O P Pt -","- C76 H132 Br8 O4 P4 Pt4 -","4","0.5","","Béni, Zoltán; Ros, Renzo; Tassan, Augusto; Scopelliti, Rosario; Roulet, Raymond","Oxidative addition of iodo-acetonitrile and of elemental halogens to [Pt3(mu-CO)3(PCy3)3].","Dalton transactions (Cambridge, England : 2003)","2005","","2","315","325","10.1039/b415311a","","","0.71073","MoKα","","0.047","0.0446","","","0.0971","0.0984","","","","","","1.187","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7008000","13.2635","0.0003","8.0961","0.0002","23.8229","0.0005","90","","102.19","0.002","90","","2500.49","0.1","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 N4 P2 S -","- C20 H42 N4 P2 S -","- C80 H168 N16 P8 S4 -","4","1","","Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert","Synthesis and auration of primary and di-primary heteroaryl-phosphines.","Dalton transactions (Cambridge, England : 2003)","2005","","2","247","255","10.1039/b415326j","","","0.71073","MoKα","","0.0552","0.0518","","","0.1416","0.1438","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008001","10.4742","0.0003","18.5825","0.0006","6.8165","0.0002","90","","90","","90","","1326.74","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H3 Cl2 O P -","- C4 H3 Cl2 O P -","- C32 H24 Cl16 O8 P8 -","8","1","","Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert","Synthesis and auration of primary and di-primary heteroaryl-phosphines.","Dalton transactions (Cambridge, England : 2003)","2005","","2","247","255","10.1039/b415326j","","","0.71073","MoKα","","0.0371","0.0368","","","0.0973","0.0976","","","","","","1.152","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008002","10.8376","0.0001","15.8571","0.0002","14.3424","0.0002","90","","90.2038","0.0006","90","","2464.77","0.05","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H42 N4 O P2 -","- C20 H42 N4 O P2 -","- C80 H168 N16 O4 P8 -","4","2","","Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert","Synthesis and auration of primary and di-primary heteroaryl-phosphines.","Dalton transactions (Cambridge, England : 2003)","2005","","2","247","255","10.1039/b415326j","","","0.71073","MoKα","","0.0245","0.0237","","","0.0619","0.0626","","","","","","1.041","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008003","9.0431","0.0002","9.0431","0.0002","6.2387","0.0002","90","","90","","90","","510.19","0.02","193","2","193","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C4 H2 Cl4 O P2 -","- C4 H2 Cl4 O P2 -","- C8 H4 Cl8 O2 P4 -","2","0.25","","Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert","Synthesis and auration of primary and di-primary heteroaryl-phosphines.","Dalton transactions (Cambridge, England : 2003)","2005","","2","247","255","10.1039/b415326j","","","0.71073","MoKα","","0.0363","0.0358","","","0.0946","0.0955","","","","","","1.109","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008004","12.7063","0.0006","14.5754","0.0008","16.2534","0.0005","102.894","0.003","106.329","0.003","97.318","0.003","2757.1","0.2","143","2","143","2","","","","","","","","8","P -1","-P 1","2","","","","- C40.76 H85.51 Au3 B Cl1.51 F4 P4 S -","- C40.76 H85.52 Au3 B Cl1.52 F4 P4 S -","- C81.52 H171.04 Au6 B2 Cl3.04 F8 P8 S2 -","2","1","","Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert","Synthesis and auration of primary and di-primary heteroaryl-phosphines.","Dalton transactions (Cambridge, England : 2003)","2005","","2","247","255","10.1039/b415326j","","","0.71073","MoKα","","0.0542","0.0467","","","0.1071","0.1122","","","","","","1.051","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008005","31.459","0.0006","31.459","0.0006","31.459","0.0006","90","","90","","90","","31134","1","143","2","143","2","","","","","","","","7","I m -3","-I 2 2 3","204","","","","- C76 H164 Au6 B1.67 F6.67 P8 S -","- C76 H164 Au6 B1.66667 F6.64 P8 S -","- C912 H1968 Au72 B20 F79.68 P96 S12 -","12","0.25","","Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert","Synthesis and auration of primary and di-primary heteroaryl-phosphines.","Dalton transactions (Cambridge, England : 2003)","2005","","2","247","255","10.1039/b415326j","","","0.71073","MoKα","","0.0538","0.0521","","","0.1138","0.1148","","","","","","1.249","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008006","11.8176","0.0002","15.3722","0.0004","17.7226","0.0004","90","","99.405","0.001","90","","3176.25","0.12","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H98 Ca2 N6 O2 -","- C64 H98 Ca2 N6 O2 -","- C128 H196 Ca4 N12 O4 -","2","0.5","","Avent, Anthony G.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.","Kinetic stability of heteroleptic (beta-diketiminato) heavier alkaline-earth (Ca, Sr, Ba) amides.","Dalton transactions (Cambridge, England : 2003)","2005","","2","278","284","10.1039/b415468a","","x-ray","0.7107","MoKα","","0.0702","0.0508","","","0.1091","0.1189","","","","","","1.034","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008007","12.0545","0.0001","21.7583","0.0002","17.365","0.0001","90","","109.619","0.001","90","","4290.18","0.06","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H67 Ba N3 O Si2 -","- C39 H67 Ba N3 O Si2 -","- C156 H268 Ba4 N12 O4 Si8 -","4","1","","Avent, Anthony G.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.","Kinetic stability of heteroleptic (beta-diketiminato) heavier alkaline-earth (Ca, Sr, Ba) amides.","Dalton transactions (Cambridge, England : 2003)","2005","","2","278","284","10.1039/b415468a","","x-ray","0.71073","MoKα","","0.025","0.0209","","","0.0544","0.0573","","","","","","0.956","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008008","9.3762","0.0002","12.6466","0.0003","19.4777","0.0005","81.148","0.001","87.652","0.001","83.765","0.001","2267.91","0.09","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C48 H74 Ca N3 O -","- C48 H67 Ca N3 O -","- C96 H134 Ca2 N6 O2 -","2","1","","Avent, Anthony G.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.","Kinetic stability of heteroleptic (beta-diketiminato) heavier alkaline-earth (Ca, Sr, Ba) amides.","Dalton transactions (Cambridge, England : 2003)","2005","","2","278","284","10.1039/b415468a","","x-ray","0.71073","MoKα","","0.0661","0.0572","","","0.1533","0.1607","","","","","","1.02","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008009","19.641","0.002","10.1468","0.0007","20.1828","0.0004","90","","112.386","0.0005","90","","3719.2","0.5","296.2","","","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C35 H31 B2 Cl F4 N7 O P Ru -","- C35 H31 B2 Cl F4 N7 O P Ru -","- C140 H124 B8 Cl4 F16 N28 O4 P4 Ru4 -","4","1","","Nishimura, Yoshimasa; Arikawa, Yasuhiro; Inoue, Takanori; Onishi, Masayoshi","Regioselective nucleophilic addition of triphenylphosphine to the nitrosylruthenium alkynyl complexes having a hydrotris(pyrazol-1-yl)borate: formation of phosphonio-alkenyl, alkynyl, and allenyl species.","Dalton transactions (Cambridge, England : 2003)","2005","","5","930","937","10.1039/b415483e","","","0.7107","MoKα","","","0.0319","","","","0.0714","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008010","13.064","0.001","22.799","0.002","13.2996","0.0002","90","","105.216","0.0004","90","","3822.4","0.4","295.2","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 B2 Cl F4 N7 O P Ru -","- C32 H31 B2 Cl F4 N7 O P Ru -","- C128 H124 B8 Cl4 F16 N28 O4 P4 Ru4 -","4","1","","Nishimura, Yoshimasa; Arikawa, Yasuhiro; Inoue, Takanori; Onishi, Masayoshi","Regioselective nucleophilic addition of triphenylphosphine to the nitrosylruthenium alkynyl complexes having a hydrotris(pyrazol-1-yl)borate: formation of phosphonio-alkenyl, alkynyl, and allenyl species.","Dalton transactions (Cambridge, England : 2003)","2005","","5","930","937","10.1039/b415483e","","","0.7107","MoKα","","","0.0604","","","","0.1335","","","","","","1.837","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008011","11.1299","0.0005","21.586","0.002","17.4043","0.0002","90","","91.2394","0.0003","90","","4180.4","0.4","296.2","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 B2 Cl F4 N7 O P Ru -","- C42 H35 B2 Cl F4 N7 O P Ru -","- C168 H140 B8 Cl4 F16 N28 O4 P4 Ru4 -","4","1","","Nishimura, Yoshimasa; Arikawa, Yasuhiro; Inoue, Takanori; Onishi, Masayoshi","Regioselective nucleophilic addition of triphenylphosphine to the nitrosylruthenium alkynyl complexes having a hydrotris(pyrazol-1-yl)borate: formation of phosphonio-alkenyl, alkynyl, and allenyl species.","Dalton transactions (Cambridge, England : 2003)","2005","","5","930","937","10.1039/b415483e","","","0.7107","MoKα","","","0.0415","","","","0.0904","","","","","","1.142","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008012","10.3721","0.0006","12.129","0.001","14.712","0.001","77.684","0.003","86.322","0.001","70.7225","0.0008","1706.8","0.2","296.2","","","","","","","","","","","9","P -1","-P 1","2","","","","- C30 H29 B2 Cl F4 N7 O2 P Ru -","- C30 H26 B2 Cl F4 N7 O2 P Ru -","- C60 H52 B4 Cl2 F8 N14 O4 P2 Ru2 -","2","1","","Nishimura, Yoshimasa; Arikawa, Yasuhiro; Inoue, Takanori; Onishi, Masayoshi","Regioselective nucleophilic addition of triphenylphosphine to the nitrosylruthenium alkynyl complexes having a hydrotris(pyrazol-1-yl)borate: formation of phosphonio-alkenyl, alkynyl, and allenyl species.","Dalton transactions (Cambridge, England : 2003)","2005","","5","930","937","10.1039/b415483e","","","0.7107","MoKα","","","0.0405","","","","0.0912","","","","","","1.711","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008013","11.51","0.001","13.549","0.003","18.814","0.003","99.134","0.003","97.113","0.001","93.996","0.001","2862.5","0.8","297.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C61 H52 B3 F8 N7 O P2 Ru -","- C61 H52 B3 F8 N7 O P2 Ru -","- C122 H104 B6 F16 N14 O2 P4 Ru2 -","2","1","","Nishimura, Yoshimasa; Arikawa, Yasuhiro; Inoue, Takanori; Onishi, Masayoshi","Regioselective nucleophilic addition of triphenylphosphine to the nitrosylruthenium alkynyl complexes having a hydrotris(pyrazol-1-yl)borate: formation of phosphonio-alkenyl, alkynyl, and allenyl species.","Dalton transactions (Cambridge, England : 2003)","2005","","5","930","937","10.1039/b415483e","","","0.7107","MoKα","","","0.0576","","","","0.1574","","","","","","0.984","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008014","8.852","0.001","17.74","0.001","21.202","0.001","90","","93.25","0.01","90","","3324.1","0.4","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H62 Cl Ga2 N -","- C27 H62 Cl Ga2 N -","- C108 H248 Cl4 Ga8 N4 -","4","1","","Tian, Xin; Fröhlich, Roland; Mitzel, Norbert W.","Organoaluminium and -gallium compounds with N,N-diisopropylaminomethyl groups.","Dalton transactions (Cambridge, England : 2003)","2005","","2","380","384","10.1039/b415585h","","","0.71073","MoKα","","0.0489","0.0334","","","0.0813","0.0871","","","","","","1.046","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008015","8.162","0.001","10.082","0.001","15.995","0.001","85.81","0.01","87.62","0.01","82.59","0.01","1301.1","0.2","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H50 Ga Li N2 -","- C22 H50 Ga Li N2 -","- C44 H100 Ga2 Li2 N4 -","2","1","","Tian, Xin; Fröhlich, Roland; Mitzel, Norbert W.","Organoaluminium and -gallium compounds with N,N-diisopropylaminomethyl groups.","Dalton transactions (Cambridge, England : 2003)","2005","","2","380","384","10.1039/b415585h","","","0.71073","MoKα","","0.0757","0.0555","","","0.1606","0.1728","","","","","","1.021","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008016","7.658","0.001","10.199","0.001","13.383","0.001","98.03","0.01","103.95","0.01","102.73","0.01","968.76","0.19","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H34 Al Cl Li N -","- C15 H34 Al Cl Li N -","- C30 H68 Al2 Cl2 Li2 N2 -","2","1","","Tian, Xin; Fröhlich, Roland; Mitzel, Norbert W.","Organoaluminium and -gallium compounds with N,N-diisopropylaminomethyl groups.","Dalton transactions (Cambridge, England : 2003)","2005","","2","380","384","10.1039/b415585h","","","0.71073","MoKα","","0.0841","0.0467","","","0.1039","0.1188","","","","","","1.018","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008017","12.97","0.002","15.828","0.003","15.84","0.003","90","","112.883","0.003","90","","2995.9","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 Cd2 Cl4 N6 O16 S4 -","- C50 H60 Cd2 Cl4 N6 O16 S4 -","- C100 H120 Cd4 Cl8 N12 O32 S8 -","2","0.5","","Jin, Yongri; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Moon, Seok-Tae; Kim, Jineun; Han, Sang Woo; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Cadmium(II) and mercury(II) complexes of an NO2S2-donor macrocycle and its ditopic xylyl-bridged analogue.","Dalton transactions (Cambridge, England : 2003)","2005","","4","788","796","10.1039/b415794j","","","0.71073","MoKα","","0.1023","0.053","","","0.1219","0.1452","","","","","","1.01","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008018","11.4844","0.0008","12.4041","0.0009","17.388","0.0012","90","","100.552","0.001","90","","2435.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Hg I2 N O2 S2 -","- C20 H25 Hg I2 N O2 S2 -","- C80 H100 Hg4 I8 N4 O8 S8 -","4","1","","Jin, Yongri; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Moon, Seok-Tae; Kim, Jineun; Han, Sang Woo; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Cadmium(II) and mercury(II) complexes of an NO2S2-donor macrocycle and its ditopic xylyl-bridged analogue.","Dalton transactions (Cambridge, England : 2003)","2005","","4","788","796","10.1039/b415794j","","","0.71073","MoKα","","0.066","0.0393","","","0.0852","0.0946","","","","","","0.946","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008019","8.4688","0.0009","9.9367","0.001","15.47","0.0016","96.122","0.002","91.044","0.002","101.154","0.002","1268.9","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 Cl2 Hg N O10 S2 -","- C20 H25 Cl2 Hg N O10 S2 -","- C40 H50 Cl4 Hg2 N2 O20 S4 -","2","1","","Jin, Yongri; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Moon, Seok-Tae; Kim, Jineun; Han, Sang Woo; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Cadmium(II) and mercury(II) complexes of an NO2S2-donor macrocycle and its ditopic xylyl-bridged analogue.","Dalton transactions (Cambridge, England : 2003)","2005","","4","788","796","10.1039/b415794j","","","0.71073","MoKα","","0.0861","0.0541","","","0.1312","0.1495","","","","","","1.065","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008020","23.3914","0.0013","9.6272","0.0006","24.3956","0.0014","90","","114.244","0.001","90","","5009.2","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H26 Cd Cl N3 O8 S2 -","- C20.5 H26 Cd Cl N3 O8 S2 -","- C164 H208 Cd8 Cl8 N24 O64 S16 -","8","1","","Jin, Yongri; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Moon, Seok-Tae; Kim, Jineun; Han, Sang Woo; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Cadmium(II) and mercury(II) complexes of an NO2S2-donor macrocycle and its ditopic xylyl-bridged analogue.","Dalton transactions (Cambridge, England : 2003)","2005","","4","788","796","10.1039/b415794j","","","0.71073","MoKα","","0.0357","0.031","","","0.083","0.0857","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008021","8.764","0.002","9.361","0.003","15.81","0.004","85.817","0.005","83.448","0.004","71.965","0.005","1224.3","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H56 Br4 Hg2 N2 O4 S4 -","- C48 H56 Br4 Hg2 N2 O4 S4 -","- C48 H56 Br4 Hg2 N2 O4 S4 -","1","0.5","","Jin, Yongri; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Moon, Seok-Tae; Kim, Jineun; Han, Sang Woo; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Cadmium(II) and mercury(II) complexes of an NO2S2-donor macrocycle and its ditopic xylyl-bridged analogue.","Dalton transactions (Cambridge, England : 2003)","2005","","4","788","796","10.1039/b415794j","","","0.71073","MoKα","","0.0977","0.0585","","","0.1271","0.1474","","","","","","0.966","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008022","8.9754","0.0015","9.6153","0.0016","16.013","0.003","84.89","0.003","84.242","0.003","71.036","0.003","1298","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H56 Hg2 I4 N2 O4 S4 -","- C48 H56 Hg2 I4 N2 O4 S4 -","- C48 H56 Hg2 I4 N2 O4 S4 -","1","0.5","","Jin, Yongri; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Moon, Seok-Tae; Kim, Jineun; Han, Sang Woo; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Cadmium(II) and mercury(II) complexes of an NO2S2-donor macrocycle and its ditopic xylyl-bridged analogue.","Dalton transactions (Cambridge, England : 2003)","2005","","4","788","796","10.1039/b415794j","","","0.71073","MoKα","","0.0588","0.0368","","","0.0807","0.1029","","","","","","1.023","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008023","8.2406","0.0006","13.2425","0.001","14.3885","0.0011","93.028","0.002","96.831","0.002","101.586","0.001","1522.5","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H54 Br8 Cl4 Hg4 N2 O4 S4 -","- C42 H54 Br8 Cl4 Hg4 N2 O4 S4 -","- C42 H54 Br8 Cl4 Hg4 N2 O4 S4 -","1","0.5","","Jin, Yongri; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Moon, Seok-Tae; Kim, Jineun; Han, Sang Woo; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Cadmium(II) and mercury(II) complexes of an NO2S2-donor macrocycle and its ditopic xylyl-bridged analogue.","Dalton transactions (Cambridge, England : 2003)","2005","","4","788","796","10.1039/b415794j","","","0.71073","MoKα","","0.0742","0.0509","","","0.1251","0.1418","","","","","","0.959","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008024","11.0233","0.0012","14.0524","0.0016","15.3847","0.0018","90","","99.403","0.003","90","","2351.1","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Br2 N2 O4 S4 -","- C48 H58 Br2 N2 O4 S4 -","- C96 H116 Br4 N4 O8 S8 -","2","0.5","","Jin, Yongri; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Moon, Seok-Tae; Kim, Jineun; Han, Sang Woo; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Cadmium(II) and mercury(II) complexes of an NO2S2-donor macrocycle and its ditopic xylyl-bridged analogue.","Dalton transactions (Cambridge, England : 2003)","2005","","4","788","796","10.1039/b415794j","","","0.71073","MoKα","","0.3069","0.0769","","","0.1447","0.2254","","","","","","0.906","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008025","9.447","0.0001","16.15","0.0001","18.484","0.0001","90","","90","","90","","2820.09","0.04","150","2","150","2","","","","","","","","6","P b n 21","P 2c -2ab","33","","","","- C21 H42 Cl4 O2 P2 Ru -","- C21 H42 Cl4 O2 P2 Ru -","- C84 H168 Cl16 O8 P8 Ru4 -","4","1","","Goicoechea, Jose M.; Mahon, Mary F.; Whittlesey, Michael K.; Kumar, P. G. Anil; Pregosin, Paul S.","Mononuclear and dinuclear complexes with a [Ru(tBu2PCH2CH2PtBu2)(CO)] core.","Dalton transactions (Cambridge, England : 2003)","2005","","3","588","597","10.1039/b415812a","","","0.71073","MoKα","","0.0358","0.0304","","","0.0745","0.0777","","","","","","1.027","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008026","10.8689","0.0001","20.136","0.0002","31.2785","0.0004","90","","90","","90","","6845.49","0.13","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C43 H83 Cl11 F6 O8 P4 Ru2 S2 -","- C43 H83 Cl11 F6 O8 P4 Ru2 S2 -","- C172 H332 Cl44 F24 O32 P16 Ru8 S8 -","4","1","","Goicoechea, Jose M.; Mahon, Mary F.; Whittlesey, Michael K.; Kumar, P. G. Anil; Pregosin, Paul S.","Mononuclear and dinuclear complexes with a [Ru(tBu2PCH2CH2PtBu2)(CO)] core.","Dalton transactions (Cambridge, England : 2003)","2005","","3","588","597","10.1039/b415812a","","","0.71073","MoKα","","0.0597","0.0437","","","0.0967","0.1035","","","","","","1.003","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008027","11.066","0.0001","15.755","0.0002","14.319","0.0001","90","","109.178","0.001","90","","2357.9","0.04","150","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H40 Cl2 O P2 Ru -","- C19 H40 Cl2 O P2 Ru -","- C76 H160 Cl8 O4 P8 Ru4 -","4","1","","Goicoechea, Jose M.; Mahon, Mary F.; Whittlesey, Michael K.; Kumar, P. G. Anil; Pregosin, Paul S.","Mononuclear and dinuclear complexes with a [Ru(tBu2PCH2CH2PtBu2)(CO)] core.","Dalton transactions (Cambridge, England : 2003)","2005","","3","588","597","10.1039/b415812a","","","","MoKα","","0.0304","0.0239","","","0.0533","0.0565","","","","","","1.055","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008028","11.293","0.0003","16.989","0.0005","40.701","0.0015","90","","96.158","0.001","90","","7763.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H124 Cl10 O3 P6 Ru3 -","- C59 H124 Cl10 O3 P6 Ru3 -","- C236 H496 Cl40 O12 P24 Ru12 -","4","1","","Goicoechea, Jose M.; Mahon, Mary F.; Whittlesey, Michael K.; Kumar, P. G. Anil; Pregosin, Paul S.","Mononuclear and dinuclear complexes with a [Ru(tBu2PCH2CH2PtBu2)(CO)] core.","Dalton transactions (Cambridge, England : 2003)","2005","","3","588","597","10.1039/b415812a","","","0.71073","MoKα","","0.2107","0.1092","","","0.2611","0.2929","","","","","","1.034","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008029","15.649","0.0001","21.677","0.0002","35.15","0.0004","90","","90","","90","","11923.7","0.19","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H95 Cl4 N5 O2 P4 Ru2 -","- C48 H95 Cl4 N5 O2 P4 Ru2 -","- C384 H760 Cl32 N40 O16 P32 Ru16 -","8","1","","Goicoechea, Jose M.; Mahon, Mary F.; Whittlesey, Michael K.; Kumar, P. G. Anil; Pregosin, Paul S.","Mononuclear and dinuclear complexes with a [Ru(tBu2PCH2CH2PtBu2)(CO)] core.","Dalton transactions (Cambridge, England : 2003)","2005","","3","588","597","10.1039/b415812a","","","0.71073","MoKα","","0.1242","0.0481","","","0.081","0.0995","","","","","","0.982","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008030","28.214","0.001","16.249","0.0004","22.786","0.0008","90","","105.872","0.001","90","","10048","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H50.33 F6 O10.67 P2 Ru S2 -","- C21 H40 F6 O10.6667 P2 Ru S2 -","- C252 H480 F72 O128 P24 Ru12 S24 -","12","1.5","","Goicoechea, Jose M.; Mahon, Mary F.; Whittlesey, Michael K.; Kumar, P. G. Anil; Pregosin, Paul S.","Mononuclear and dinuclear complexes with a [Ru(tBu2PCH2CH2PtBu2)(CO)] core.","Dalton transactions (Cambridge, England : 2003)","2005","","3","588","597","10.1039/b415812a","","","0.71073","MoKα","","0.1244","0.1203","","","0.2853","0.2889","","","","","","1.06","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008031","15.948","0.0002","21.036","0.0003","22.609","0.0003","90","","101.18","0.001","90","","7440.98","0.17","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H43.25 Cl2 F6 O9.63 P2 Ru S2 -","- C22 H44 Cl2 F6 O9.625 P2 Ru S2 -","- C176 H352 Cl16 F48 O77 P16 Ru8 S16 -","8","2","","Goicoechea, Jose M.; Mahon, Mary F.; Whittlesey, Michael K.; Kumar, P. G. Anil; Pregosin, Paul S.","Mononuclear and dinuclear complexes with a [Ru(tBu2PCH2CH2PtBu2)(CO)] core.","Dalton transactions (Cambridge, England : 2003)","2005","","3","588","597","10.1039/b415812a","","","0.71073","MoKα","","0.0888","0.0592","","","0.1496","0.1713","","","","","","1.022","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008032","13.5939","0.0001","18.9779","0.0002","16.2799","0.0001","90","","94.311","0.001","90","","4188.07","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H58 F6 O10 P2 Ru S5 -","- C27 H58 F6 O10 P2 Ru S5 -","- C108 H232 F24 O40 P8 Ru4 S20 -","4","1","","Goicoechea, Jose M.; Mahon, Mary F.; Whittlesey, Michael K.; Kumar, P. G. Anil; Pregosin, Paul S.","Mononuclear and dinuclear complexes with a [Ru(tBu2PCH2CH2PtBu2)(CO)] core.","Dalton transactions (Cambridge, England : 2003)","2005","","3","588","597","10.1039/b415812a","","","0.71073","MoKα","","0.0482","0.0326","","","0.0753","0.0832","","","","","","1.025","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008033","15.897","0.0002","10.46","0.0001","18.537","0.0003","90","","104.029","0.001","90","","2990.44","0.07","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H43 F3 O7 P2 Ru S -","- C22 H43 F3 O7 P2 Ru S -","- C88 H172 F12 O28 P8 Ru4 S4 -","4","1","","Goicoechea, Jose M.; Mahon, Mary F.; Whittlesey, Michael K.; Kumar, P. G. Anil; Pregosin, Paul S.","Mononuclear and dinuclear complexes with a [Ru(tBu2PCH2CH2PtBu2)(CO)] core.","Dalton transactions (Cambridge, England : 2003)","2005","","3","588","597","10.1039/b415812a","","","0.71073","MoKα","","0.0545","0.0328","","","0.0713","0.0788","","","","","","1.024","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008034","9.449","0.005","15.793","0.008","17.694","0.009","108.047","0.008","102.452","0.009","107.097","0.008","2259","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 F18 Fe N9 O2 P3 -","- C36 H36 F18 Fe N9 O2 P3 -","- C72 H72 F36 Fe2 N18 O4 P6 -","2","1","","Mukherjee, Arindam; Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R.","Ternary iron(II) complex with an emissive imidazopyridine arm from Schiff base cyclizations and its oxidative DNA cleavage activity.","Dalton transactions (Cambridge, England : 2003)","2005","","2","349","353","10.1039/b415864d","","","0.71073","MoKα","","0.1856","0.0929","","","0.2076","0.2557","","","","","","0.899","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008035","21.7324","0.0003","7.2463","0.0002","24.1595","0.0004","90","","90","","90","","3804.63","0.13","150","","150","","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","","","- C26 H52 N6 S8 Zn2 -","- C26 H52 N6 S8 Zn2 -","- C104 H208 N24 S32 Zn8 -","4","1","","Wong, Wallace W. H.; Curiel, David; Cowley, Andrew R.; Beer, Paul D.","Dinuclear zinc(II) dithiocarbamate macrocycles: ditopic receptors for a variety of guest molecules.","Dalton transactions (Cambridge, England : 2003)","2005","","2","359","364","10.1039/b415935g","","","0.71073","MoKα","","0.0425","0.0347","","0.0438","0.0365","0.0365","","","","","","1.0987","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008036","11.6711","0.0004","11.9793","0.0004","12.4675","0.0004","110.203","0.0015","100.163","0.0015","115.663","0.0017","1360.59","0.09","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C50 H68 N6 S8 Zn2 -","- C50 H68 N6 S8 Zn2 -","- C50 H68 N6 S8 Zn2 -","1","0.5","","Wong, Wallace W. H.; Curiel, David; Cowley, Andrew R.; Beer, Paul D.","Dinuclear zinc(II) dithiocarbamate macrocycles: ditopic receptors for a variety of guest molecules.","Dalton transactions (Cambridge, England : 2003)","2005","","2","359","364","10.1039/b415935g","","","0.71073","MoKα","","0.0706","0.0441","","0.0585","0.0509","0.0509","","","","","","1.0956","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008037","7.1766","0.0017","15.917","0.004","17.041","0.004","90","","92.13","0.02","90","","1945.2","0.8","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Compound 3a","","- C46 H32 Au2 P2 S2 -","- C46 H32 Au2 P2 S2 -","- C92 H64 Au4 P4 S4 -","2","1","","Li, Peiyi; Ahrens, Birte; Feeder, Neil; Raithby, Paul R.; Teat, Simon J.; Khan, Muhammad S.","Luminescent digold ethynyl thienothiophene and dithienothiophene complexes; their synthesis and structural characterisation","Dalton transactions (Cambridge, England : 2003)","2005","","5","874","883","10.1039/b415965a","","","0.6887","Synchrotron","","0.0439","0.0428","","","0.1091","0.1103","","","","","","1.042","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008038","8.95","0.0002","12.82","0.0002","18.655","0.0004","73.76","0.001","84.726","0.001","85.198","0.0012","2042.58","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Compound 3b","","- C48 H32 Au2 P2 S3 -","- C48 H32 Au2 P2 S3 -","- C96 H64 Au4 P4 S6 -","2","1","","Li, Peiyi; Ahrens, Birte; Feeder, Neil; Raithby, Paul R.; Teat, Simon J.; Khan, Muhammad S.","Luminescent digold ethynyl thienothiophene and dithienothiophene complexes; their synthesis and structural characterisation.","Dalton transactions (Cambridge, England : 2003)","2005","","5","874","883","10.1039/b415965a","","","0.7107","MoKα","","0.0653","0.046","","","0.1168","0.1327","","","","","","1.043","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008039","20.761","0.005","16.266","0.004","31.141","0.006","90","","128.189","0.01","90","","8266","3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2,6?bis(1?(2,6?diisopropylphenylimino)ethyl)pyridine)trichlot otitanium(iii)","[2,6?bis[1?(2,6?diisopropylphenylimino)ethyl]pyridine]trichlototitanium(III)","","- C87 H110 Cl6 N6 Ti2 -","- C87 H110 Cl6 N6 Ti2 -","- C348 H440 Cl24 N24 Ti8 -","4","1","","Calderazzo, Fausto; Englert, Ulli; Pampaloni, Guido; Santi, Roberto; Sommazzi, Anna; Zinna, Marianna","Bis(arylimino)pyridine derivatives of Group 4 metals: preparation, characterization and activity in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2005","","5","914","922","10.1039/b415997g","","","0.71073","MoKα","","0.1146","0.0695","","","0.1627","0.1877","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008040","12.683","0.004","16.764","0.005","17.317","0.005","90","","96.791","0.012","90","","3656.1","1.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[2,6?bis[1?(2,6?diisopropylphenylimino)ethyl]pyridine]dichloro (aluminumoxotrichoride)titanium(IV)","","- C33 H43 Al Cl5 N3 O Ti -","- C33 H43 Al Cl5 N3 O Ti -","- C132 H172 Al4 Cl20 N12 O4 Ti4 -","4","1","","Calderazzo, Fausto; Englert, Ulli; Pampaloni, Guido; Santi, Roberto; Sommazzi, Anna; Zinna, Marianna","Bis(arylimino)pyridine derivatives of Group 4 metals: preparation, characterization and activity in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2005","","5","914","922","10.1039/b415997g","","","0.71073","MoKα","","0.0985","0.0536","","","0.1228","0.1404","","","","","","1.032","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008041","10.7765","0.0006","20.0924","0.0012","17.4561","0.0012","90","","100.571","0.003","90","","3715.5","0.4","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 B P3 Pt -","- C38 H62 B P3 Pt -","- C152 H248 B4 P12 Pt4 -","4","1","","Jaska, Cory A.; Lough, Alan J.; Manners, Ian","Chemistry of phosphine-borane adducts at platinum centers: dehydrocoupling reactivity of Pt(II) dihydrides with P-H bonds.","Dalton transactions (Cambridge, England : 2003)","2005","","2","326","331","10.1039/b416114a","","","0.71073","MoKα","","0.0891","0.0478","","","0.0978","0.1154","","","","","","1.031","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008042","7.159","0.002","8.014","0.003","24.123","0.008","84.739","0.006","87.999","0.006","75.022","0.006","1331.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cl2 N4 O12 -","- C20 H32 Cl2 N4 O12 -","- C40 H64 Cl4 N8 O24 -","2","1","","Chatterton, Nicholas; Gateau, Christelle; Mazzanti, Marinella; Pécaut, Jacques; Borel, Alain; Helm, Lothar; Merbach, André","The effect of pyridinecarboxylate chelating groups on the stability and electronic relaxation of gadolinium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1129","1135","10.1039/b416150e","","","0.71073","MoKα","","0.0565","0.0436","","","0.1043","0.1092","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008043","15.9134","0.001","19.2805","0.0013","17.3626","0.0011","90","","98.281","0.001","90","","5271.6","0.6","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H127 Cl3 Gd5 N12.5 O60.5 -","- C61 H54 Cl3 Gd5 N12.5 O60.5 -","- C122 H108 Cl6 Gd10 N25 O121 -","2","1","","Chatterton, Nicholas; Gateau, Christelle; Mazzanti, Marinella; Pécaut, Jacques; Borel, Alain; Helm, Lothar; Merbach, André","The effect of pyridinecarboxylate chelating groups on the stability and electronic relaxation of gadolinium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1129","1135","10.1039/b416150e","","","0.71073","MoKα","","0.1165","0.0788","","","0.2056","0.222","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008044","14.465","0.003","15.075","0.003","21.289","0.004","98.38","0.03","100.54","0.03","93.18","0.03","4499.1","1.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H59 Ce2 F18 N15 O18 S6 -","- C81 H59 Ce2 F18 N15 O18 S6 -","- C162 H118 Ce4 F36 N30 O36 S12 -","2","1","","Berthet, Jean-Claude; Nierlich, Martine; Miquel, Yannick; Madic, Charles; Ephritikhine, Michel","Selective complexation of uranium(III) over lanthanide(III) triflates by 2,2':6',2""-terpyridine. X-Ray crystal structures of [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2005","","2","369","379","10.1039/b416189k","","","0.71073","MoKα","","0.1031","0.0687","","","0.1578","0.1774","","","","","","1.027","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008045","14.441","0.003","15.03","0.003","21.304","0.004","98.51","0.03","100.52","0.03","93.23","0.03","4479.7","1.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H59 F18 N15 Nd2 O18 S6 -","- C81 H59 F18 N15 Nd2 O18 S6 -","- C162 H118 F36 N30 Nd4 O36 S12 -","2","1","","Berthet, Jean-Claude; Nierlich, Martine; Miquel, Yannick; Madic, Charles; Ephritikhine, Michel","Selective complexation of uranium(III) over lanthanide(III) triflates by 2,2':6',2""-terpyridine. X-Ray crystal structures of [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2005","","2","369","379","10.1039/b416189k","","","0.71073","MoKα","","0.0831","0.0571","","","0.1227","0.1364","","","","","","1.034","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008046","14.487","0.003","14.997","0.003","21.269","0.004","98.67","0.03","100.48","0.03","93.26","0.03","4475","1.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H59 F18 N15 O18 S6 U2 -","- C81 H59 F18 N15 O18 S6 U2 -","- C162 H118 F36 N30 O36 S12 U4 -","2","1","","Berthet, Jean-Claude; Nierlich, Martine; Miquel, Yannick; Madic, Charles; Ephritikhine, Michel","Selective complexation of uranium(III) over lanthanide(III) triflates by 2,2':6',2""-terpyridine. X-Ray crystal structures of [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2005","","2","369","379","10.1039/b416189k","","","0.71073","MoKα","","0.0941","0.058","","","0.1315","0.1512","","","","","","0.972","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008047","9.124","0.0018","25.703","0.005","21.133","0.004","90","","100.36","0.03","90","","4875.2","1.7","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 Ce F9 N8 O10 S3 -","- C43 H32 Ce F9 N8 O10 S3 -","- C172 H128 Ce4 F36 N32 O40 S12 -","4","1","","Berthet, Jean-Claude; Nierlich, Martine; Miquel, Yannick; Madic, Charles; Ephritikhine, Michel","Selective complexation of uranium(III) over lanthanide(III) triflates by 2,2':6',2""-terpyridine. X-Ray crystal structures of [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2005","","2","369","379","10.1039/b416189k","","","0.71073","MoKα","","0.0656","0.041","","","0.0873","0.0968","","","","","","1.01","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008048","11.63","0.002","11.749","0.002","15.546","0.003","85.14","0.03","88.79","0.03","70.03","0.03","1989.2","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H22 Ce F9 N6 O9 S3 -","- C33 H22 Ce F9 N6 O9 S3 -","- C66 H44 Ce2 F18 N12 O18 S6 -","2","1","","Berthet, Jean-Claude; Nierlich, Martine; Miquel, Yannick; Madic, Charles; Ephritikhine, Michel","Selective complexation of uranium(III) over lanthanide(III) triflates by 2,2':6',2""-terpyridine. X-Ray crystal structures of [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2005","","2","369","379","10.1039/b416189k","","","0.71073","MoKα","","0.08","0.0588","","","0.1364","0.1484","","","","","","1.017","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008049","9.659","0.0019","11.359","0.002","18.675","0.004","94.35","0.03","96.38","0.03","102.16","0.03","1980.2","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H25 Ce F9 N7 O9 S3 -","- C35 H22 Ce F9 N7 O9 S3 -","- C70 H44 Ce2 F18 N14 O18 S6 -","2","1","","Berthet, Jean-Claude; Nierlich, Martine; Miquel, Yannick; Madic, Charles; Ephritikhine, Michel","Selective complexation of uranium(III) over lanthanide(III) triflates by 2,2':6',2""-terpyridine. X-Ray crystal structures of [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2005","","2","369","379","10.1039/b416189k","","","0.71073","MoKα","","0.1042","0.0646","","","0.1392","0.161","","","","","","0.928","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008050","14.08","0.003","19.188","0.004","15.061","0.003","90","","94.03","0.03","90","","4058.9","1.5","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H23.5 F9 N6.5 Nd O9 S3 -","- C34 H22 F9 N6.5 Nd O9 S3 -","- C136 H88 F36 N26 Nd4 O36 S12 -","4","1","","Berthet, Jean-Claude; Nierlich, Martine; Miquel, Yannick; Madic, Charles; Ephritikhine, Michel","Selective complexation of uranium(III) over lanthanide(III) triflates by 2,2':6',2""-terpyridine. X-Ray crystal structures of [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2005","","2","369","379","10.1039/b416189k","","","0.71073","MoKα","","0.0915","0.0629","","","0.1517","0.1701","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008051","9.678","0.0019","11.341","0.002","18.659","0.004","94.51","0.03","96.33","0.03","102.13","0.03","1979.1","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H25 F9 N7 O9 S3 U -","- C35 H22 F9 N7 O9 S3 U -","- C70 H44 F18 N14 O18 S6 U2 -","2","1","","Berthet, Jean-Claude; Nierlich, Martine; Miquel, Yannick; Madic, Charles; Ephritikhine, Michel","Selective complexation of uranium(III) over lanthanide(III) triflates by 2,2':6',2""-terpyridine. X-Ray crystal structures of [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2005","","2","369","379","10.1039/b416189k","","","0.71073","MoKα","","0.0462","0.0351","","","0.0769","0.082","","","","","","0.975","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008052","12.451","0.003","16.542","0.003","24.314","0.005","105.59","0.03","93.73","0.03","110.57","0.03","4445","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H63 I8 N17 O3 U3 -","- C79 H61 I8.0002 N17 O3 U3 -","- C158 H122 I16.0004 N34 O6 U6 -","2","1","","Berthet, Jean-Claude; Nierlich, Martine; Miquel, Yannick; Madic, Charles; Ephritikhine, Michel","Selective complexation of uranium(III) over lanthanide(III) triflates by 2,2':6',2""-terpyridine. X-Ray crystal structures of [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2005","","2","369","379","10.1039/b416189k","","","0.71073","MoKα","","0.1746","0.0899","","","0.1956","0.24","","","","","","1.041","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008053","14.575","0.003","18.653","0.004","21.026","0.004","66.26","0.03","88.75","0.03","86.59","0.03","5223","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H65 I8 N17 O2 U3 -","- C85 H65 I8 N17 O2 U3 -","- C170 H130 I16 N34 O4 U6 -","2","1","","Berthet, Jean-Claude; Nierlich, Martine; Miquel, Yannick; Madic, Charles; Ephritikhine, Michel","Selective complexation of uranium(III) over lanthanide(III) triflates by 2,2':6',2""-terpyridine. X-Ray crystal structures of [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2005","","2","369","379","10.1039/b416189k","","","0.71073","MoKα","","0.25","0.1249","","","0.2972","0.3757","","","","","","1.024","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008054","20.987","0.004","22.81","0.005","28.435","0.006","90","","95.7","0.03","90","","13545","5","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C107 H74 F30 N20 O33 S10 U4 -","- C107 H74 F30 N20 O33 S10 U4 -","- C428 H296 F120 N80 O132 S40 U16 -","4","1","","Berthet, Jean-Claude; Nierlich, Martine; Miquel, Yannick; Madic, Charles; Ephritikhine, Michel","Selective complexation of uranium(III) over lanthanide(III) triflates by 2,2':6',2""-terpyridine. X-Ray crystal structures of [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2005","","2","369","379","10.1039/b416189k","","","0.71073","MoKα","","0.252","0.1094","","","0.1939","0.2562","","","","","","1.021","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008055","13.3789","0.0015","14.7358","0.0017","17.61","0.002","92.718","0.01","110.611","0.009","116.077","0.008","2833.1","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H184 Fe4 N16 O28 -","- C104 H128 Fe4 N16 O28 -","- C104 H128 Fe4 N16 O28 -","1","0.5","","Hewitt, Ian J.; Tang, Jin-Kui; Madhu, N. T.; Pilawa, Bernd; Anson, Christopher E.; Brooker, Sally; Powell, Annie K.","Iron(III) activation hits a [4 + 4] macrocycle.","Dalton transactions (Cambridge, England : 2003)","2005","","3","429","432","10.1039/b416250a","","","0.71073","MoKα","","0.0779","0.0599","","","0.1576","0.1701","","","","","","1.036","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008056","14.25","0.003","14.35","0.003","15.263","0.003","73.057","0.014","71.696","0.013","83.434","0.015","2833.7","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H179 Cl Fe4 N16 O27 -","- C102 H133 Cl Fe4 N16 O27 -","- C102 H133 Cl Fe4 N16 O27 -","1","0.5","","Hewitt, Ian J.; Tang, Jin-Kui; Madhu, N. T.; Pilawa, Bernd; Anson, Christopher E.; Brooker, Sally; Powell, Annie K.","Iron(III) activation hits a [4 + 4] macrocycle.","Dalton transactions (Cambridge, England : 2003)","2005","","3","429","432","10.1039/b416250a","","","0.71073","MoKα","","0.1744","0.0956","","","0.2301","0.2877","","","","","","1.001","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008057","8.365","0.0003","16.0241","0.0005","11.778","0.0004","90","","104.446","0.001","90","","1528.83","0.09","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Oxo-(2-furfurylamidosalicylaldimino)vanadium(V)","Oxo-(2-furfurylamidosalicylaldimino)vanadium(V)","","- C14 H15 N2 O6 V -","- C14 H15 N2 O6 V -","- C56 H60 N8 O24 V4 -","4","1","","Maurya, Mannar R.; Agarwal, Shalu; Bader, Cerstin; Ebel, Martin; Rehder, Dieter","Synthesis, characterisation and catalytic potential of hydrazonato-vanadium(V) model complexes with [VO]3+ and [VO2]+ cores.","Dalton transactions (Cambridge, England : 2003)","2005","","3","537","544","10.1039/b416292g","","","0.71073","MoKα","","0.0491","0.0467","","","0.1505","0.1525","","","","","","1.214","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7008058","8.0161","0.0002","14.9534","0.0004","13.2937","0.0004","90","","92.919","0.001","90","","1591.42","0.08","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Oxo-(2-nicotineamidosalicylaldimino)vanadium(V)","Oxo-(2-nicotineamidosalicylaldimino)vanadium(V)","","- C15 H16 N3 O5 V -","- C15 H16 N3 O5 V -","- C60 H64 N12 O20 V4 -","4","1","","Maurya, Mannar R.; Agarwal, Shalu; Bader, Cerstin; Ebel, Martin; Rehder, Dieter","Synthesis, characterisation and catalytic potential of hydrazonato-vanadium(V) model complexes with [VO]3+ and [VO2]+ cores","Dalton transactions (Cambridge, England : 2003)","2005","","3","537","544","10.1039/b416292g","","","0.71073","MoKα","","0.0395","0.0376","","","0.0962","0.0974","","","","","","1.151","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7008059","25.0812","0.0017","16.5695","0.0011","12.9281","0.0009","90","","93.939","0.001","90","","5360","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 Cl N2 O9.5 Re -","- C25 H26 Cl N2 O9.5 Re -","- C200 H208 Cl8 N16 O76 Re8 -","8","1","","Lazarides, Theodore; Miller, Thomas A.; Jeffery, John C.; Ronson, Tanya K.; Adams, Harry; Ward, Michael D.","Luminescent complexes of Re(I) and Ru(II) with appended macrocycle groups derived from 5,6-dihydroxyphenanthroline: cation and anion binding.","Dalton transactions (Cambridge, England : 2003)","2005","","3","528","536","10.1039/b416293e","","","0.71073","MoKα","","0.0592","0.0317","","","0.0616","0.0675","","","","","","0.93","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008060","21.464","0.0007","13.3917","0.0004","11.4092","0.0004","90","","97.565","0.002","90","","3250.91","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 Cl N2 O11 Re -","- C33 H34 Cl N2 O11 Re -","- C132 H136 Cl4 N8 O44 Re4 -","4","1","","Lazarides, Theodore; Miller, Thomas A.; Jeffery, John C.; Ronson, Tanya K.; Adams, Harry; Ward, Michael D.","Luminescent complexes of Re(I) and Ru(II) with appended macrocycle groups derived from 5,6-dihydroxyphenanthroline: cation and anion binding.","Dalton transactions (Cambridge, England : 2003)","2005","","3","528","536","10.1039/b416293e","","","1.54178","CuKα","","0.0677","0.0672","","","0.1569","0.1571","","","","","","1.349","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008061","17.908","0.004","17.748","0.004","27.982","0.006","90","","95.7","0.03","90","","8850","3","100","2","100","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C33 H38 Cl F6 K0 N2 Na O13 P Re -","- C33 H34 Cl F6 N2 Na O13 P Re -","- C264 H272 Cl8 F48 N16 Na8 O104 P8 Re8 -","8","1","","Lazarides, Theodore; Miller, Thomas A.; Jeffery, John C.; Ronson, Tanya K.; Adams, Harry; Ward, Michael D.","Luminescent complexes of Re(I) and Ru(II) with appended macrocycle groups derived from 5,6-dihydroxyphenanthroline: cation and anion binding.","Dalton transactions (Cambridge, England : 2003)","2005","","3","528","536","10.1039/b416293e","","","0.71073","MoKα","","0.1384","0.0793","","","0.2118","0.2398","","","","","","0.939","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008062","9.411","0.008","13.877","0.012","19.278","0.017","85.394","0.016","83.01","0.015","74.521","0.016","2405","4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Cl2 N8 O12 Ru -","- C42 H40 Cl2 N8 O12 Ru -","- C84 H80 Cl4 N16 O24 Ru2 -","2","1","","Lazarides, Theodore; Miller, Thomas A.; Jeffery, John C.; Ronson, Tanya K.; Adams, Harry; Ward, Michael D.","Luminescent complexes of Re(I) and Ru(II) with appended macrocycle groups derived from 5,6-dihydroxyphenanthroline: cation and anion binding.","Dalton transactions (Cambridge, England : 2003)","2005","","3","528","536","10.1039/b416293e","","","0.71073","MoKα","","0.2673","0.141","","","0.3135","0.4107","","","","","","0.975","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008063","10.267","0.002","22.017","0.005","7.4514","0.0017","90","","92.432","0.004","90","","1682.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N7 Pb S2 -","- C13 H17 N7 Pb S2 -","- C52 H68 N28 Pb4 S8 -","4","1","","Pedrido, Rosa; Bermejo, Manuel R.; Romero, M José; Vázquez, Miguel; González-Noya, Ana M; Maneiro, Marcelino; Rodríguez, M Jesús; Fernández, M Isabel","Syntheses and X-ray characterization of metal complexes with the pentadentate thiosemicarbazone ligand bis(4-N-methylthiosemicarbazone)-2,6-diacetylpyridine. The first pentacoordinate lead(II) complex with a pentagonal geometry.","Dalton transactions (Cambridge, England : 2003)","2005","","3","572","579","10.1039/b416296j","","","0.71073","MoKα","","0.0817","0.04","","","0.0752","0.0884","","","","","","0.93","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008064","11.008","0.004","11.763","0.004","15.946","0.006","92.21","0.03","107.08","0.03","90.75","0.04","1971.6","1.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 N14 O3 S4 Zn2 -","- C28 H40 N14 O3 S4 Zn2 -","- C56 H80 N28 O6 S8 Zn4 -","2","1","","Pedrido, Rosa; Bermejo, Manuel R.; Romero, M José; Vázquez, Miguel; González-Noya, Ana M; Maneiro, Marcelino; Rodríguez, M Jesús; Fernández, M Isabel","Syntheses and X-ray characterization of metal complexes with the pentadentate thiosemicarbazone ligand bis(4-N-methylthiosemicarbazone)-2,6-diacetylpyridine. The first pentacoordinate lead(II) complex with a pentagonal geometry.","Dalton transactions (Cambridge, England : 2003)","2005","","3","572","579","10.1039/b416296j","","","0.71073","MoKα","","0.1912","0.0874","","0.2329","0.172","","","","1.047","1.128","1.128","","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008065","14.981","0.006","10.466","0.004","14.281","0.004","90","0.004","100.32","0.02","90","0.02","2202.9","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H29 Mn N7 O2 S2 -","- C17 H27 Mn N7 O2 S2 -","- C68 H108 Mn4 N28 O8 S8 -","4","0.5","","Pedrido, Rosa; Bermejo, Manuel R.; Romero, M José; Vázquez, Miguel; González-Noya, Ana M; Maneiro, Marcelino; Rodríguez, M Jesús; Fernández, M Isabel","Syntheses and X-ray characterization of metal complexes with the pentadentate thiosemicarbazone ligand bis(4-N-methylthiosemicarbazone)-2,6-diacetylpyridine. The first pentacoordinate lead(II) complex with a pentagonal geometry.","Dalton transactions (Cambridge, England : 2003)","2005","","3","572","579","10.1039/b416296j","","","0.71073","MoKα","","0.0011","0.0008","","","0.0022","0.0033","","","","","","0.246","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008066","6.3771","0.0002","15.5012","0.0004","18.6225","0.0006","90","","90","","90","","1840.88","0.1","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H22 Au2 B2 Cl2 N4 -","- C8 H22 Au2 B2 Cl2 N4 -","- C32 H88 Au8 B8 Cl8 N16 -","4","1","","Humphrey, Simon M.; Mack, Hans-Georg; Redshaw, Carl; Elsegood, Mark R. J.; Young, Kenneth J. H.; Mayer, Hermann A.; Kaska, William C.","Variable solid state aggregations in a series of (isocyanide)gold(I) halides with the novel trimethylamine-isocyanoborane adduct.","Dalton transactions (Cambridge, England : 2003)","2005","","3","439","446","10.1039/b416392c","","","0.71073","MoKα","","0.071","0.0503","","","0.1137","0.1268","","","","","","0.94","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008067","6.4334","0.0003","15.8549","0.0007","18.7149","0.0008","90","","90","","90","","1908.94","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H11 Au B Br N2 -","- C4 H11 Au B Br N2 -","- C32 H88 Au8 B8 Br8 N16 -","8","2","","Humphrey, Simon M.; Mack, Hans-Georg; Redshaw, Carl; Elsegood, Mark R. J.; Young, Kenneth J. H.; Mayer, Hermann A.; Kaska, William C.","Variable solid state aggregations in a series of (isocyanide)gold(I) halides with the novel trimethylamine-isocyanoborane adduct.","Dalton transactions (Cambridge, England : 2003)","2005","","3","439","446","10.1039/b416392c","","","0.71073","MoKα","","0.0389","0.0294","","","0.0736","0.0792","","","","","","1.044","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008068","33.006","0.007","7.4118","0.0015","13.816","0.003","90","","111.46","0.003","90","","3145.5","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cd I2 N4 O -","- C12 H8 Cd I2 N4 O -","- C96 H64 Cd8 I16 N32 O8 -","8","1","","Wang, Yong-Tao; Tong, Ming-Liang; Fan, Hai-Hua; Wang, He-Zhou; Chen, Xiao-Ming","Homochiral crystallization of helical coordination chains bridged by achiral ligands: can it be controlled by the ligand structure?","Dalton transactions (Cambridge, England : 2003)","2005","","3","424","426","10.1039/b416412a","","","0.71073","MoKα","","0.0413","0.036","","","0.0892","0.0947","","","","","","1.069","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008069","7.057","0.007","14.116","0.014","8.743","0.009","90","","112.356","0.019","90","","805.5","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H8 Cd I2 N4 O -","- C12 H8 Cd I2 N4 O -","- C24 H16 Cd2 I4 N8 O2 -","2","1","","Wang, Yong-Tao; Tong, Ming-Liang; Fan, Hai-Hua; Wang, He-Zhou; Chen, Xiao-Ming","Homochiral crystallization of helical coordination chains bridged by achiral ligands: can it be controlled by the ligand structure?","Dalton transactions (Cambridge, England : 2003)","2005","","3","424","426","10.1039/b416412a","","","0.71073","MoKα","","0.0359","0.0342","","","0.0872","0.089","","","","","","1.047","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008070","8.2949","0.0009","14.7244","0.0017","21.236","0.002","90","","90","","90","","2593.7","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cd I2 N6 O4 -","- C18 H24 Cd I2 N6 O4 -","- C72 H96 Cd4 I8 N24 O16 -","4","1","","Wang, Yong-Tao; Tong, Ming-Liang; Fan, Hai-Hua; Wang, He-Zhou; Chen, Xiao-Ming","Homochiral crystallization of helical coordination chains bridged by achiral ligands: can it be controlled by the ligand structure?","Dalton transactions (Cambridge, England : 2003)","2005","","3","424","426","10.1039/b416412a","","","0.71073","MoKα","","0.053","0.0453","","","0.0946","0.0983","","","","","","1.023","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008071","9.6403","0.0019","11.055","0.002","14.148","0.003","97.94","0.03","95.31","0.03","113.82","0.03","1347.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 Cl6 P2 Pt -","- C56 H70 Cl6 P2 Pt -","- C56 H70 Cl6 P2 Pt -","1","0.5","","Baber, R. Angharad; Orpen, A. Guy; Pringle, Paul G.; Wilkinson, Matthew J.; Wingad, Richard L.","Special effects of ortho-isopropylphenyl groups. Diastereoisomerism in platinum(II) and palladium(II) complexes of helically chiral PAr3 ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","4","659","667","10.1039/b416525j","","","0.71073","MoKα","","0.0343","0.0338","","","0.0772","0.0774","","","","","","1.018","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008072","11.035","0.002","12.02","0.002","12.441","0.003","63.49","0.03","77.64","0.03","89.59","0.03","1435.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Cl10 O6 P2 Pd -","- C52 H62 Cl10 O6 P2 Pd -","- C52 H62 Cl10 O6 P2 Pd -","1","0.5","","Baber, R. Angharad; Orpen, A. Guy; Pringle, Paul G.; Wilkinson, Matthew J.; Wingad, Richard L.","Special effects of ortho-isopropylphenyl groups. Diastereoisomerism in platinum(II) and palladium(II) complexes of helically chiral PAr3 ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","4","659","667","10.1039/b416525j","","","0.71073","MoKα","","0.0718","0.0582","","","0.1328","0.1383","","","","","","1.109","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008073","11.359","0.003","11.719","0.003","13.13","0.006","101.28","0.03","104.34","0.02","112.02","0.03","1486.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H76 Cl2 O6 P2 Pt2 -","- C60 H76 Cl2 O6 P2 Pt2 -","- C60 H76 Cl2 O6 P2 Pt2 -","1","0.5","","Baber, R. Angharad; Orpen, A. Guy; Pringle, Paul G.; Wilkinson, Matthew J.; Wingad, Richard L.","Special effects of ortho-isopropylphenyl groups. Diastereoisomerism in platinum(II) and palladium(II) complexes of helically chiral PAr3 ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","4","659","667","10.1039/b416525j","","","0.71073","MoKα","","0.1607","0.0654","","","0.1166","0.1379","","","","","","0.886","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008074","12.189","0.003","12.331","0.003","12.42","0.003","90.563","0.004","94.222","0.004","111.771","0.004","1727.5","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H70 Cl16 P2 Pd2 -","- C58 H70 Cl16 P2 Pd2 -","- C58 H70 Cl16 P2 Pd2 -","1","0.5","","Baber, R. Angharad; Orpen, A. Guy; Pringle, Paul G.; Wilkinson, Matthew J.; Wingad, Richard L.","Special effects of ortho-isopropylphenyl groups. Diastereoisomerism in platinum(II) and palladium(II) complexes of helically chiral PAr3 ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","4","659","667","10.1039/b416525j","","","0.71073","MoKα","","0.1642","0.071","","","0.1671","0.2136","","","","","","1.054","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008075","10.881","0.003","10.881","0.003","15.66","0.008","90","","90","","120","","1605.7","1","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H36 Ag2 Cl2 O8 S6 -","- C15 H36 Ag2 Cl2 O8 S6 -","- C30 H72 Ag4 Cl4 O16 S12 -","2","0.166667","","Li, Jian-Rong; Bu, Xian-He; Jiao, Jiao; Du, Wen-Ping; Xu, Xiu-Hua; Zhang, Ruo-Hua","Novel dithioether-silver(I) coordination architectures: structural diversities by varying the spacers and terminal groups of ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","3","464","474","10.1039/b416576b","","","0.71073","MoKα","","0.0568","0.0355","","","0.086","0.0962","","","","","","1.014","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008076","12.628","0.004","12.126","0.004","16.977","0.005","90","","109.443","0.006","90","","2451.4","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 Ag4 Cl4 O16 S8 -","- C24 H56 Ag4 Cl4 O16 S8 -","- C48 H112 Ag8 Cl8 O32 S16 -","2","0.5","","Li, Jian-Rong; Bu, Xian-He; Jiao, Jiao; Du, Wen-Ping; Xu, Xiu-Hua; Zhang, Ruo-Hua","Novel dithioether-silver(I) coordination architectures: structural diversities by varying the spacers and terminal groups of ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","3","464","474","10.1039/b416576b","","","0.71073","MoKα","","0.12","0.0462","","","0.0674","0.0824","","","","","","0.951","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008077","7.506","0.002","11.3","0.004","15.348","0.005","90","","90","","90","","1301.8","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Ag Cl O4 S2 -","- C7 H16 Ag Cl O4 S2 -","- C28 H64 Ag4 Cl4 O16 S8 -","4","1","","Li, Jian-Rong; Bu, Xian-He; Jiao, Jiao; Du, Wen-Ping; Xu, Xiu-Hua; Zhang, Ruo-Hua","Novel dithioether-silver(I) coordination architectures: structural diversities by varying the spacers and terminal groups of ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","3","464","474","10.1039/b416576b","","","0.71073","MoKα","","0.0835","0.0495","","","0.1009","0.1135","","","","","","1.013","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008078","13.535","0.015","9.765","0.01","19.45","0.02","90","","102.014","0.019","90","","2514","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Ag Cl O4 S4 -","- C16 H35 Ag Cl O4 S4 -","- C64 H140 Ag4 Cl4 O16 S16 -","4","1","","Li, Jian-Rong; Bu, Xian-He; Jiao, Jiao; Du, Wen-Ping; Xu, Xiu-Hua; Zhang, Ruo-Hua","Novel dithioether-silver(I) coordination architectures: structural diversities by varying the spacers and terminal groups of ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","3","464","474","10.1039/b416576b","","","0.71073","MoKα","","0.1768","0.0669","","","0.1289","0.1674","","","","","","0.999","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008079","35.61","0.01","6.244","0.002","17.561","0.006","90","","114.498","0.006","90","","3553.2","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Ag Cl N0 O4 S2 -","- C15 H16 Ag Cl O4 S2 -","- C120 H128 Ag8 Cl8 O32 S16 -","8","1","","Li, Jian-Rong; Bu, Xian-He; Jiao, Jiao; Du, Wen-Ping; Xu, Xiu-Hua; Zhang, Ruo-Hua","Novel dithioether-silver(I) coordination architectures: structural diversities by varying the spacers and terminal groups of ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","3","464","474","10.1039/b416576b","","","0.71073","MoKα","","0.1114","0.0462","","","0.0933","0.1252","","","","","","1","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008080","14.908","0.006","18.868","0.007","13.658","0.005","90","","116.71","0.006","90","","3432","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Ag Cl O4 S4 -","- C32 H36 Ag Cl O4 S4 -","- C128 H144 Ag4 Cl4 O16 S16 -","4","1","","Li, Jian-Rong; Bu, Xian-He; Jiao, Jiao; Du, Wen-Ping; Xu, Xiu-Hua; Zhang, Ruo-Hua","Novel dithioether-silver(I) coordination architectures: structural diversities by varying the spacers and terminal groups of ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","3","464","474","10.1039/b416576b","","","0.71073","MoKα","","0.1126","0.0492","","","0.1072","0.1406","","","","","","1.064","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008081","15.625","0.003","15.625","0.003","39.55","0.01","90","","90","","120","","8362","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C51 H60 Ag2 Cl2 O8 S6 -","- C51 H60 Ag2 Cl1.99 O7.99 S6 -","- C306 H360 Ag12 Cl11.94 O47.94 S36 -","6","0.166667","","Li, Jian-Rong; Bu, Xian-He; Jiao, Jiao; Du, Wen-Ping; Xu, Xiu-Hua; Zhang, Ruo-Hua","Novel dithioether-silver(I) coordination architectures: structural diversities by varying the spacers and terminal groups of ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","3","464","474","10.1039/b416576b","","","0.71073","MoKα","","0.0649","0.0434","","","0.1141","0.123","","","","","","1.035","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008082","9.604","0.005","23.66","0.01","12.399","0.006","90","","96.66","0.009","90","","2798","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Ag Cl O4 S3 -","- C27 H33 Ag Cl O4 S3 -","- C108 H132 Ag4 Cl4 O16 S12 -","4","1","","Li, Jian-Rong; Bu, Xian-He; Jiao, Jiao; Du, Wen-Ping; Xu, Xiu-Hua; Zhang, Ruo-Hua","Novel dithioether-silver(I) coordination architectures: structural diversities by varying the spacers and terminal groups of ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","3","464","474","10.1039/b416576b","","","0.71073","MoKα","","0.1352","0.0585","","","0.1111","0.1351","","","","","","0.952","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008083","13.886","0.0002","18.4187","0.0002","24.1365","0.0003","90","","94.6196","0.0007","90","","6153.15","0.13","123","","123","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55.5 H64 F12 Fe N8 O2 P4 Pt -","- C55.5 H64 F12 Fe N8 O2 P4 Pt -","- C222 H256 F48 Fe4 N32 O8 P16 Pt4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Sylvia; Shardlow, Ellen J.","Formation of a [2 + 2]-heterotetranuclear macrocycle from reaction of a platina-homoditopic ligand with iron(II).","Dalton transactions (Cambridge, England : 2003)","2005","","2","234","235","10.1039/b416621c","","","0.71073","MoKα","","0.0582","0.0318","","0.0391","0.0346","0.0346","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008084","8.3783","0.0017","23.843","0.005","23.448","0.005","90","","95.14","0.03","90","","4665.2","1.7","153","1","153","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 Br4 N6 O15 Zn3 -","- C39 H36 Br4 N6 O15 Zn3 -","- C156 H144 Br16 N24 O60 Zn12 -","4","1","","Yang, Xiaoping; Jones, Richard A.; Lynch, Vince; Oye, Michael M.; Holmes, Archie L.","Synthesis and near infrared luminescence of a tetrametallic Zn2Yb2 architecture from a trinuclear Zn3L2 Schiff base complex.","Dalton transactions (Cambridge, England : 2003)","2005","","5","849","851","10.1039/b416695g","","","0.71073","MoKα","","0.0999","0.0532","","","0.1033","0.1168","","","","","","1.04","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008085","11.263","0.002","12","0.002","12.366","0.003","102.71","0.03","108.26","0.03","112.82","0.03","1347","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H21 Br2 Cl2 N3 O5 Yb Zn -","- C21 H21 Br2 Cl2 N3 O5 Yb Zn -","- C42 H42 Br4 Cl4 N6 O10 Yb2 Zn2 -","2","1","","Yang, Xiaoping; Jones, Richard A.; Lynch, Vince; Oye, Michael M.; Holmes, Archie L.","Synthesis and near infrared luminescence of a tetrametallic Zn2Yb2 architecture from a trinuclear Zn3L2 Schiff base complex.","Dalton transactions (Cambridge, England : 2003)","2005","","5","849","851","10.1039/b416695g","","","0.71073","MoKα","","0.1668","0.0916","","","0.2048","0.2426","","","","","","1.051","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008086","9.246","0.004","20.531","0.009","11.864","0.005","90","","96.985","0.008","90","","2235.4","1.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(1,10-phenanthroline)(methanol)(L-methioninato)copper(II)monoperchlorate","","- C18 H22 Cl Cu N3 O7 S -","- C18 H22 Cl Cu N3 O7 S -","- C72 H88 Cl4 Cu4 N12 O28 S4 -","4","2","","Patra, Ashis K.; Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R.","Metal-assisted red light-induced DNA cleavage by ternary L-methionine copper(II) complexes of planar heterocyclic bases.","Dalton transactions (Cambridge, England : 2003)","2005","","5","896","902","10.1039/b416711b","","","0.71073","MoKα","","0.0872","0.0534","","","0.1329","0.1574","","","","","","0.947","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008087","7.648","0.004","13.115","0.006","20.574","0.01","97.69","0.007","97.919","0.008","94.406","0.008","2016","1.7","293","2","293","2","","","","","","","","7","P 1","P 1","1","","(2,2'-bipyridyl)(aqueo)(L-methioninato)copper(II)monoperchlorate","","- C15 H21 Cl Cu N3 O7.5 S -","- C15 H18 Cl Cu N3 O7.5 S -","- C60 H72 Cl4 Cu4 N12 O30 S4 -","4","4","","Patra, Ashis K.; Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R.","Metal-assisted red light-induced DNA cleavage by ternary L-methionine copper(II) complexes of planar heterocyclic bases.","Dalton transactions (Cambridge, England : 2003)","2005","","5","896","902","10.1039/b416711b","","","0.71073","MoKα","","0.0492","0.0423","","","0.1068","0.1106","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008088","11.731","0.014","12.054","0.014","28.124","0.032","90","","91.496","0.01","90","","3976","8","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H72 Cl2 Fe4 N4 O6 S8 Zn2 -","- C61 H70 Cl2 Fe4 N4 O6 S8 Zn2 -","- C122 H140 Cl4 Fe8 N8 O12 S16 Zn4 -","2","0.5","","Wong, Wallace W. H.; Curiel, David; Lai, Siu-Wai; Drew, Michael G. B.; Beer, Paul D.","Ditopic redox-active polyferrocenyl zinc(II) dithiocarbamate macrocyclic receptors: synthesis, coordination and electrochemical recognition properties.","Dalton transactions (Cambridge, England : 2003)","2005","","4","774","781","10.1039/b416851h","","","0.71073","MoKα","","0.2252","0.0936","","0.2799","0.2344","","","","0.886","1.278","1.278","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008089","15.302","0.02","30.255","0.034","32.342","0.037","90","","102.577","0.01","90","","14614","3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C66 H67 Fe4 N4 O1.5 S8 Zn2 -","- C66 H60 Fe4 N4 O1.5 S8 Zn2 -","- C528 H480 Fe32 N32 O12 S64 Zn16 -","8","2","","Wong, Wallace W. H.; Curiel, David; Lai, Siu-Wai; Drew, Michael G. B.; Beer, Paul D.","Ditopic redox-active polyferrocenyl zinc(II) dithiocarbamate macrocyclic receptors: synthesis, coordination and electrochemical recognition properties.","Dalton transactions (Cambridge, England : 2003)","2005","","4","774","781","10.1039/b416851h","","","0.71073","MoKα","","0.1977","0.1226","","0.334","0.2843","","","","1.08","1.326","1.326","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008090","8.8288","0.0013","15.074","0.002","18.759","0.003","90","","90","","90","","2496.5","0.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 Al O2 S2 -","- C25 H35 Al O2 S2 -","- C100 H140 Al4 O8 S8 -","4","1","","Ma, Haiyan; Melillo, Gianluca; Oliva, Leone; Spaniol, Thomas P.; Englert, Ulli; Okuda, Jun","Aluminium alkyl complexes supported by [OSSO] type bisphenolato ligands: synthesis, characterization and living polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2005","","4","721","727","10.1039/b416875e","","","0.71073","MoKα","","0.0467","0.0387","","","0.0894","0.0929","","","","","","1.056","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008091","8.952","0.004","15.202","0.006","18.987","0.007","90","","90","","90","","2583.9","1.8","248","2","248","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 Al O2 S2 -","- C26 H37 Al O2 S2 -","- C104 H148 Al4 O8 S8 -","4","1","","Ma, Haiyan; Melillo, Gianluca; Oliva, Leone; Spaniol, Thomas P.; Englert, Ulli; Okuda, Jun","Aluminium alkyl complexes supported by [OSSO] type bisphenolato ligands: synthesis, characterization and living polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2005","","4","721","727","10.1039/b416875e","","","0.71073","MoKα","","0.0575","0.042","","","0.0871","0.0939","","","","","","1.061","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008092","17.001","0.002","17.967","0.002","10.009","0.001","90","","90","","90","","3057.3","0.6","120","2","120","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C31 H39 Al O2 S2 -","- C31 H39 Al O2 S2 -","- C124 H156 Al4 O8 S8 -","4","0.5","","Ma, Haiyan; Melillo, Gianluca; Oliva, Leone; Spaniol, Thomas P.; Englert, Ulli; Okuda, Jun","Aluminium alkyl complexes supported by [OSSO] type bisphenolato ligands: synthesis, characterization and living polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2005","","4","721","727","10.1039/b416875e","","","0.71073","MoKα","","0.0435","0.0394","","","0.0875","0.0899","","","","","","1.076","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008093","10.7048","0.0017","16.38","0.003","28.722","0.005","90","","90","","90","","5036.2","1.5","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C50 H70 Al2 O4 S4 -","- C50 H70 Al2 O4 S4 -","- C200 H280 Al8 O16 S16 -","4","0.5","","Ma, Haiyan; Melillo, Gianluca; Oliva, Leone; Spaniol, Thomas P.; Englert, Ulli; Okuda, Jun","Aluminium alkyl complexes supported by [OSSO] type bisphenolato ligands: synthesis, characterization and living polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2005","","4","721","727","10.1039/b416875e","","","0.71073","MoKα","","0.0464","0.041","","","0.1057","0.1094","","","","","","1.067","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008094","14.766","0.007","11.823","0.006","22.17","0.01","90","","103.26","0.01","90","","3767","3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Al O3 S2 -","- C43 H47 Al O3 S2 -","- C172 H188 Al4 O12 S8 -","4","1","","Ma, Haiyan; Melillo, Gianluca; Oliva, Leone; Spaniol, Thomas P.; Englert, Ulli; Okuda, Jun","Aluminium alkyl complexes supported by [OSSO] type bisphenolato ligands: synthesis, characterization and living polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2005","","4","721","727","10.1039/b416875e","","","0.71073","MoKα","","0.1477","0.0763","","","0.1693","0.2104","","","","","","0.987","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008095","12.996","0.005","14.078","0.005","28.243","0.005","102.514","0.005","94.303","0.005","104.057","0.005","4849","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H134 Br3 O10 P2 Rh -","- C95 H98 Br3 O10 P2 Rh -","- C190 H196 Br6 O20 P4 Rh2 -","2","1","","Crous, Renier; Datt, Michael; Foster, Douglas; Bennie, Linette; Steenkamp, Casper; Huyser, Johan; Kirsten, Leo; Steyl, Gideon; Roodt, Andreas","Rhodium hydride formation in the presence of a bulky monophosphite ligand: a spectroscopic and solid-state investigation.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1108","1116","10.1039/b416917d","","","0.71069","MoKα","","0.1796","0.0645","","","0.1155","0.1506","","","","","","0.915","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008096","13.302","0.005","13.517","0.005","13.898","0.005","112.284","0.005","104.736","0.005","102.222","0.005","2099.5","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H63 O3 P -","- C42 H36 O3 P -","- C84 H72 O6 P2 -","2","1","","Crous, Renier; Datt, Michael; Foster, Douglas; Bennie, Linette; Steenkamp, Casper; Huyser, Johan; Kirsten, Leo; Steyl, Gideon; Roodt, Andreas","Rhodium hydride formation in the presence of a bulky monophosphite ligand: a spectroscopic and solid-state investigation.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1108","1116","10.1039/b416917d","","","0.71073","MoKα","","0.063","0.0434","","","0.0814","0.0839","","","","","","1.199","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008097","9.349","0.0001","12.657","0.0001","21.256","0.0002","90","","90","","90","","2515.23","0.04","122.4","0.5","122.4","0.5","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","p-(Co(tren)((MeO)2CHCH2gly))(O3SCF3)2","","","- C14 H30 Co F6 N5 O10 S2 -","- C14 H30 Co F6 N5 O10 S2 -","- C56 H120 Co4 F24 N20 O40 S8 -","4","1","","Barfod, Rasmus; Eriksen, Jette; Golding, Bernard T.; Hammershøi, Anders; Jacobsen, Thomas Amos; Langkilde, Annette; Larsen, Sine; Mønsted, Ole; Sargeson, Alan M.; Sørensen, Henning Osholm","Facile cobalt(III) template synthesis of novel branched hexadentate polyamine monocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","3","491","500","10.1039/b416994h","","","0.71073","MoKα","","0.0551","0.0432","","","0.0778","0.0799","","","","","","1.728","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008098","11.7097","0.0003","9.0617","0.0002","17.7087","0.0004","90","","101.501","0.002","90","","1841.34","0.08","122.4","0.5","","","","","","","","","Local laboratory","7","P 1 21/c 1","-P 2ybc","14","i-(Co(tren-enimgly)) ZnCL4 H2O","i-[Co(tren-enimgly)] ZnCL4 H2O","","- C10 H24 Cl4 Co N5 O3 Zn -","- C10 H22 Cl4 Co N5 O2.64 Zn -","- C40 H88 Cl16 Co4 N20 O10.56 Zn4 -","4","1","","Barfod, Rasmus; Eriksen, Jette; Golding, Bernard T.; Hammershøi, Anders; Jacobsen, Thomas Amos; Langkilde, Annette; Larsen, Sine; Mønsted, Ole; Sargeson, Alan M.; Sørensen, Henning Osholm","Facile cobalt(III) template synthesis of novel branched hexadentate polyamine monocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","3","491","500","10.1039/b416994h","","","0.71073","MoKα","","0.0694","0.0666","","","0.1444","0.1467","","","","","","1.345","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7008099","19.405","0.001","8.497","0.0005","23.116","0.002","90","","90","","90","","3811.5","0.4","122.4","0.5","","","","","","","","","Local laboratory","7","P c a 21","P 2c -2ac","29","s-(Co(tren-engly)) ZnCl4","","","- C10 H24 Cl4 Co N5 O2 Zn -","- C10 H24 Cl4 Co N5 O2 Zn -","- C80 H192 Cl32 Co8 N40 O16 Zn8 -","8","2","","Barfod, Rasmus; Eriksen, Jette; Golding, Bernard T.; Hammershøi, Anders; Jacobsen, Thomas Amos; Langkilde, Annette; Larsen, Sine; Mønsted, Ole; Sargeson, Alan M.; Sørensen, Henning Osholm","Facile cobalt(III) template synthesis of novel branched hexadentate polyamine monocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","3","491","500","10.1039/b416994h","","","0.71073","MoKα","","0.0333","0.0269","","","0.0538","0.0599","","","","","","1.289","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008100","18.0055","0.0007","11.8078","0.0007","8.6392","0.0003","90","","90","","90","","1836.74","0.14","122.4","0.5","","","","","","","","","Local laboratory","7","P n a 21","P 2c -2n","33","p-(Co(tren-engly)) ZnCl4","","","- C10 H24 Cl4 Co N5 O2 Zn -","- C10 H24 Cl4 Co N5 O2 Zn -","- C40 H96 Cl16 Co4 N20 O8 Zn4 -","4","1","","Barfod, Rasmus; Eriksen, Jette; Golding, Bernard T.; Hammershøi, Anders; Jacobsen, Thomas Amos; Langkilde, Annette; Larsen, Sine; Mønsted, Ole; Sargeson, Alan M.; Sørensen, Henning Osholm","Facile cobalt(III) template synthesis of novel branched hexadentate polyamine monocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","3","491","500","10.1039/b416994h","","","0.71073","MoKα","","0.0242","0.0225","","","0.0602","0.0645","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008101","8.8197","0.0007","8.871","0.0011","11.3494","0.0012","80.102","0.007","89.441","0.01","69.214","0.008","816.55","0.16","122.4","0.5","","","","","","","","","Local laboratory","6","P -1","-P 1","2","t-(Co(tren-engly)) Cl2 2(H2O)","","","- C10 H28 Cl2 Co N5 O4 -","- C10 H24 Cl2 Co N5 O4 -","- C20 H48 Cl4 Co2 N10 O8 -","2","1","","Barfod, Rasmus; Eriksen, Jette; Golding, Bernard T.; Hammershøi, Anders; Jacobsen, Thomas Amos; Langkilde, Annette; Larsen, Sine; Mønsted, Ole; Sargeson, Alan M.; Sørensen, Henning Osholm","Facile cobalt(III) template synthesis of novel branched hexadentate polyamine monocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","3","491","500","10.1039/b416994h","","","0.71073","MoKα","","0.0329","0.0305","","","0.0906","0.0949","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008102","11.625","0.0005","8.853","0.0004","20.297","0.002","90","","100.172","0.0016","90","","2056.1","0.2","122.4","0.5","","","","","","","","","Local laboratory","7","P 1 21/c 1","-P 2ybc","14","s-(Co(tren-tngly)) ZnCl4 H2O","","","- C11 H28 Cl4 Co N5 O3 Zn -","- C11 H28 Cl4 Co N5 O3 Zn -","- C44 H112 Cl16 Co4 N20 O12 Zn4 -","4","1","","Barfod, Rasmus; Eriksen, Jette; Golding, Bernard T.; Hammershøi, Anders; Jacobsen, Thomas Amos; Langkilde, Annette; Larsen, Sine; Mønsted, Ole; Sargeson, Alan M.; Sørensen, Henning Osholm","Facile cobalt(III) template synthesis of novel branched hexadentate polyamine monocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","3","491","500","10.1039/b416994h","","","0.71073","MoKα","","0.0362","0.0344","","","0.1058","0.1099","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008103","13.2627","0.001","11.8214","0.0009","13.7098","0.0013","90","","92.933","0.01","90","","2146.7","0.3","122.4","0.5","","","","","","","","","Local laboratory","7","C 1 2 1","C 2y","5","s-(Co(tren-bngly)ZnCl3)2 ZnCl4","","","- C24 H56 Cl10 Co2 N10 O4 Zn3 -","- C12 H28 Cl5 Co N5 O2 Zn1.5 -","- C48 H112 Cl20 Co4 N20 O8 Zn6 -","4","1","","Barfod, Rasmus; Eriksen, Jette; Golding, Bernard T.; Hammershøi, Anders; Jacobsen, Thomas Amos; Langkilde, Annette; Larsen, Sine; Mønsted, Ole; Sargeson, Alan M.; Sørensen, Henning Osholm","Facile cobalt(III) template synthesis of novel branched hexadentate polyamine monocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","3","491","500","10.1039/b416994h","","","0.71073","MoKα","","0.0256","0.0215","","","0.0681","0.0751","","","","","","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008104","13.3262","0.0004","19.4561","0.0004","14.3648","0.0003","90","","96.785","0.001","90","","3698.36","0.16","93.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 Cl3 F3 Ir N3 -","- C46 H28 Cl3 F3 Ir N3 -","- C184 H112 Cl12 F12 Ir4 N12 -","4","1","","Okada, Shinjiro; Okinaka, Keiji; Iwawaki, Hironobu; Furugori, Manabu; Hashimoto, Masashi; Mukaide, Taihei; Kamatani, Jun; Igawa, Satoshi; Tsuboyama, Akira; Takiguchi, Takao; Ueno, Kazunori","Substituent effects of iridium complexes for highly efficient red OLEDs.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1583","1590","10.1039/b417058j","","","0.7107","MoKα","","","0.032","","","","0.06","","","","","","1.263","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008105","16.4464","0.0004","8.4807","0.0002","19.3755","0.0004","90","","90","","90","","2702.44","0.11","150","","150","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","1-dimethylphosphino-2,2-dimethylhydrazine","","- C14 H17 N2 P -","- C14 H17 N2 P -","- C112 H136 N16 P8 -","8","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.0537","0.0358","","0.0563","0.041","0.041","","","","","","1.0875","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008106","14.7058","0.0005","16.8368","0.0005","10.5355","0.0004","90","","90","","90","","2608.58","0.15","150","","150","","","","","","","","synthesis as described","8","P n a 21","P 2c -2n","33","","","","- C24 H31 B Cl F4 N2 P Ru -","- C24 H31 B Cl F4 N2 P Ru -","- C96 H124 B4 Cl4 F16 N8 P4 Ru4 -","4","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.0529","0.0343","","0.0614","0.0367","0.0367","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008107","29.8867","0.0004","10.3937","0.0002","23.4925","0.0004","90","","121.46","0.0007","90","","6224.88","0.19","150","","150","","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H37 B Cl3 F4 N2 P Ru -","- C28 H37 B Cl3 F4 N2 P Ru -","- C224 H296 B8 Cl24 F32 N16 P8 Ru8 -","8","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.069","0.0359","","0.0743","0.0409","0.0409","","","","","","1.1179","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008108","18.6983","0.0007","13.3095","0.0005","21.6881","0.0009","90","","91.669","0.0016","90","","5395.1","0.4","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H55 Cl2 N5 O P3 Re -","- C58 H55 Cl2 N5 O P3 Re -","- C232 H220 Cl8 N20 O4 P12 Re4 -","4","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","","0.0535","","","","0.0583","","","","","","1.0666","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008109","15.2069","0.0002","13.4521","0.0002","24.687","0.0003","90","","105.588","0.0004","90","","4864.35","0.11","150","","150","","","","","","","","?","7","P 1 21/n 1","-P 2yn","14","","","","- C53.416 H48.124 Br2 N2.708 O P3 Re -","- C53.416 H48.124 Br2 N2.708 O P3 Re -","- C213.664 H192.496 Br8 N10.832 O4 P12 Re4 -","4","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.0697","0.0325","","0.0605","0.0352","0.0352","","","","","","1.0987","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008110","9.3008","0.0002","9.5959","0.0002","12.3168","0.0002","67.4001","0.0007","77.4316","0.0007","87.2789","0.0008","989.74","0.03","150","","150","","","","","","","","?","6","P -1","-P 1","2","","","","- C19 H21 Cl2 N2 P Ti -","- C19 H21 Cl2 N2 P Ti -","- C38 H42 Cl4 N4 P2 Ti2 -","2","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.0432","0.0293","","0.0453","0.0336","0.0336","","","","","","1.0768","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008111","18.707","0.0004","13.7367","0.0003","18.8545","0.0005","90","","90","","90","","4845.1","0.2","150","","150","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","","","- C24 H31 Cl2 N2 P Ru -","- C24 H31 Cl2 N2 P Ru -","- C192 H248 Cl16 N16 P8 Ru8 -","8","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.0732","0.0295","","0.0722","0.0306","0.0306","","","","","","1.1166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008112","7.4308","0.0002","13.7935","0.0002","29.5131","0.0004","90","","90","","90","","3025","0.1","150","","150","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Cl4 N3 P Ru -","- C28 H38 Cl4 N3 P Ru -","- C112 H152 Cl16 N12 P4 Ru4 -","4","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.0611","0.0398","","0.0637","0.0438","0.0438","","","","","","1.0803","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008113","10.063","0.0002","14.6827","0.0003","20.0092","0.0005","90","","91.8167","0.0009","90","","2954.91","0.11","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 Cl4 N2 P Ru -","- C28 H37 Cl4 N2 P Ru -","- C112 H148 Cl16 N8 P4 Ru4 -","4","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.0643","0.0308","","0.0669","0.034","0.034","","","","","","1.1084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008114","10.2052","0.0002","15.3009","0.0003","23.142","0.0004","90","","91.8367","0.0007","90","","3611.74","0.12","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Br3 N P2 Re -","- C38 H33 Br3 N P2 Re -","- C152 H132 Br12 N4 P8 Re4 -","4","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.0671","0.0318","","0.0685","0.035","0.035","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008115","9.5016","0.0002","20.4988","0.0003","15.5874","0.0002","90","","95.288","0.0007","90","","3023.06","0.09","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl3 N2 O P Ru -","- C28 H40 Cl3 N2 O P Ru -","- C112 H160 Cl12 N8 O4 P4 Ru4 -","4","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.04","0.0282","","0.0431","0.0321","0.0321","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008116","7.984","0.004","10.74","0.005","15.354","0.007","90","","93.345","0.009","90","","1314.3","1.1","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nido-7-((pyridinium)methyl)-7,8-dicarbaundecaborate","","","- C8 H18 B9 N -","- C8 H18 B9 N -","- C32 H72 B36 N4 -","4","1","","Kalinin, V. N.; Rys, E. G.; Tyutyunov, A. A.; Starikova, Z. A.; Korlyukov, A. A.; Ol'shevskaya, V. A.; Sung, D. D.; Ponomaryov, A. B.; Petrovskii, P. V.; Hey-Hawkins, E","The first carborane triflates: synthesis and reactivity of 1-trifluoromethanesulfonylmethyl- and 1,2-bis(trifluoromethanesulfonylmethyl)-o-carborane.","Dalton transactions (Cambridge, England : 2003)","2005","","5","903","908","10.1039/b417199c","","","0.71073","MoKα","","0.0738","0.056","","","0.1214","0.1325","","","","","","1.01","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008117","6.8212","0.0014","26.485","0.005","10.634","0.002","90","","97.37","0.03","90","","1905.3","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-Bis(trifluoromethanesulfonyl)-o-carborane","","","- C6 H14 B10 F6 O6 S2 -","- C6 H14 B10 F6 O6 S2 -","- C24 H56 B40 F24 O24 S8 -","4","1","","Kalinin, V. N.; Rys, E. G.; Tyutyunov, A. A.; Starikova, Z. A.; Korlyukov, A. A.; Ol'shevskaya, V. A.; Sung, D. D.; Ponomaryov, A. B.; Petrovskii, P. V.; Hey-Hawkins, E","The first carborane triflates: synthesis and reactivity of 1-trifluoromethanesulfonylmethyl- and 1,2-bis(trifluoromethanesulfonylmethyl)-o-carborane.","Dalton transactions (Cambridge, England : 2003)","2005","","5","903","908","10.1039/b417199c","","","0.71073","MoKα","","0.0455","0.0408","","","0.1134","0.1158","","","","","","1.05","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008118","19.4","0.003","8.8993","0.0012","12.6404","0.0017","90","","90","","90","","2182.3","0.5","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","nido-7,8-(bis(pyridinium)methyl)-7,8-dicarbaundecaboranyl trifluoromethanesulfonate","","","- C15 H24 B9 F3 N2 O3 S -","- C15 H24 B9 F3 N2 O3 S -","- C60 H96 B36 F12 N8 O12 S4 -","4","1","","Kalinin, V. N.; Rys, E. G.; Tyutyunov, A. A.; Starikova, Z. A.; Korlyukov, A. A.; Ol'shevskaya, V. A.; Sung, D. D.; Ponomaryov, A. B.; Petrovskii, P. V.; Hey-Hawkins, E","The first carborane triflates: synthesis and reactivity of 1-trifluoromethanesulfonylmethyl- and 1,2-bis(trifluoromethanesulfonylmethyl)-o-carborane.","Dalton transactions (Cambridge, England : 2003)","2005","","5","903","908","10.1039/b417199c","","","0.71073","MoKα","","0.0625","0.0486","","","0.1082","0.1139","","","","","","0.998","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008119","18.516","0.004","12.012","0.002","14.994","0.003","90","","90.13","0.03","90","","3334.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Mo2 N4 S7 -","- C24 H34 Mo2 N4 S7 -","- C96 H136 Mo8 N16 S28 -","4","0.5","","Hogarth, Graeme; Richards, Idris","Regioselective and reversible carbon-nitrogen bond formation: synthesis, structure and reactivity of ureato-bridged complexes [Mo2(NAr)2(mu-X){mu-ArNC(O)NAr}(S2CNR2)2](Ar = Ph, p-tol; X = S, NAr; R = Me, Et, Pr).","Dalton transactions (Cambridge, England : 2003)","2005","","4","760","773","10.1039/b417234p","","","0.71073","MoKα","","0.0776","0.0539","","","0.1147","0.1319","","","","","","1.084","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008120","35.949","0.002","16.175","0.0011","17.8306","0.0012","90","","112.957","0.001","90","","9546.9","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 Mo2 N7 O S4 -","- C45 H48 Mo2 N7 O S4 -","- C360 H384 Mo16 N56 O8 S32 -","8","1","","Hogarth, Graeme; Richards, Idris","Regioselective and reversible carbon-nitrogen bond formation: synthesis, structure and reactivity of ureato-bridged complexes [Mo2(NAr)2(mu-X){mu-ArNC(O)NAr}(S2CNR2)2](Ar = Ph, p-tol; X = S, NAr; R = Me, Et, Pr).","Dalton transactions (Cambridge, England : 2003)","2005","","4","760","773","10.1039/b417234p","","","0.71073","MoKα","","0.1573","0.0804","","","0.1942","0.2296","","","","","","1.055","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008121","12.9948","0.0009","13.0247","0.0009","16.4809","0.0011","88.154","0.001","69.828","0.001","65.095","0.001","2353.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H55 Mo2 N6 O S5 -","- C43 H55 Mo2 N6 O S5 -","- C86 H110 Mo4 N12 O2 S10 -","2","1","","Hogarth, Graeme; Richards, Idris","Regioselective and reversible carbon-nitrogen bond formation: synthesis, structure and reactivity of ureato-bridged complexes [Mo2(NAr)2(mu-X){mu-ArNC(O)NAr}(S2CNR2)2](Ar = Ph, p-tol; X = S, NAr; R = Me, Et, Pr).","Dalton transactions (Cambridge, England : 2003)","2005","","4","760","773","10.1039/b417234p","","","0.71073","MoKα","","0.0728","0.0486","","","0.1102","0.1226","","","","","","1.034","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008122","12.4558","0.0005","12.4558","0.0005","49.648","0.003","90","","90","","90","","7702.7","0.6","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C56 H84 Mo4 N8 S12 -","- C56 H84 Mo4 N8 S12 -","- C224 H336 Mo16 N32 S48 -","4","0.5","","Hogarth, Graeme; Richards, Idris","Regioselective and reversible carbon-nitrogen bond formation: synthesis, structure and reactivity of ureato-bridged complexes [Mo2(NAr)2(mu-X){mu-ArNC(O)NAr}(S2CNR2)2](Ar = Ph, p-tol; X = S, NAr; R = Me, Et, Pr).","Dalton transactions (Cambridge, England : 2003)","2005","","4","760","773","10.1039/b417234p","","","0.71073","MoKα","","0.0625","0.0472","","","0.1","0.1057","","","","","","1.092","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7008123","16.165","0.003","21.332","0.004","17.402","0.004","90","","97.46","0.03","90","","5950","2","150","","150","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","(Sm((Nmes)2NN')Cl)2","[Sm({Nmes}2NN')Cl]2","","- C62 H78 Cl2 N8 Sm2 -","- C62 H78 Cl2 N8 Sm2 -","- C248 H312 Cl8 N32 Sm8 -","4","1","","Bonnet, Fanny; Hillier, Anna C.; Collins, Anna; Dubberley, Stuart R.; Mountford, Philip","Lanthanide mono(borohydride) complexes of diamide-diamine donor ligands: novel single site catalysts for the polymerisation of methyl methacrylate.","Dalton transactions (Cambridge, England : 2003)","2005","","3","421","423","10.1039/b417279p","","","0.71073","MoKα","","0.0821","0.0346","","0.0741","0.0387","0.0387","","","","","","1.0952","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008124","10.572","0.0001","11.6396","0.0002","12.6413","0.0002","101.456","0.0006","105.022","0.0007","93.5125","0.001","1461.99","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","(Sm(N2NN_Mes)(BH4)2Li)2","[Sm(N2NN_Mes)(BH4)2Li]2","","- C28 H44 B2 Li N4 Sm -","- C28 H44 B2 Li N4 Sm -","- C56 H88 B4 Li2 N8 Sm2 -","2","1","","Bonnet, Fanny; Hillier, Anna C.; Collins, Anna; Dubberley, Stuart R.; Mountford, Philip","Lanthanide mono(borohydride) complexes of diamide-diamine donor ligands: novel single site catalysts for the polymerisation of methyl methacrylate.","Dalton transactions (Cambridge, England : 2003)","2005","","3","421","423","10.1039/b417279p","","","0.71073","MoKα","","0.0293","0.0243","","0.054","0.0524","0.054","","","","","","0.9926","","","","has coordinates","287927","2023-12-01","08:31:09",""
"7008125","8.3982","0.0016","24.889","0.005","10.886","0.002","90","","92.241","0.003","90","","2273.7","0.8","299","2","299","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F3 Mo N3 O5 S -","- C22 H18 F3 Mo N3 O5 S -","- C88 H72 F12 Mo4 N12 O20 S4 -","4","1","","Pérez, Julio; Morales, Dolores; Nieto, Sonia; Riera, Lucía; Riera, Víctor; Miguel, Daniel","New [Mo(eta3-allyl)(CO)2L3]+ complexes with monodentate or tridentate nitrogen-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","5","884","888","10.1039/b417332e","","","0.71073","MoKα","","0.0276","0.0248","","","0.0622","0.0636","","","","","","1.03","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008126","16.224","0.006","16.224","0.006","15.949","0.008","90","","90","","120","","3636","3","293","2","293","2","","","","","","","","7","P 32","P 32","145","","","","- C44 H34 B F24 Mo N3 O2 -","- C44 H34 B F24 Mo N3 O2 -","- C132 H102 B3 F72 Mo3 N9 O6 -","3","1","","Pérez, Julio; Morales, Dolores; Nieto, Sonia; Riera, Lucía; Riera, Víctor; Miguel, Daniel","New [Mo(eta3-allyl)(CO)2L3]+ complexes with monodentate or tridentate nitrogen-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","5","884","888","10.1039/b417332e","","","0.71073","MoKα","","0.1555","0.0829","","","0.2042","0.2559","","","","","","1.033","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008127","21.9","0.005","26.529","0.006","7.3441","0.0016","90","","90","","90","","4266.8","1.7","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H17 F3 Mo N6 O5 S -","- C15 H17 F3 Mo N6 O5 S -","- C120 H136 F24 Mo8 N48 O40 S8 -","8","2","","Pérez, Julio; Morales, Dolores; Nieto, Sonia; Riera, Lucía; Riera, Víctor; Miguel, Daniel","New [Mo(eta3-allyl)(CO)2L3]+ complexes with monodentate or tridentate nitrogen-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","5","884","888","10.1039/b417332e","","","0.71073","MoKα","","0.0642","0.0472","","","0.1136","0.1224","","","","","","1.105","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008128","13.209","0.003","13.564","0.003","17.51","0.004","86.569","0.004","79.445","0.004","89.789","0.005","3078.5","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H49 B F24 Mo N6 O3 -","- C56 H49 B F24 Mo N6 O3 -","- C112 H98 B2 F48 Mo2 N12 O6 -","2","1","","Pérez, Julio; Morales, Dolores; Nieto, Sonia; Riera, Lucía; Riera, Víctor; Miguel, Daniel","New [Mo(eta3-allyl)(CO)2L3]+ complexes with monodentate or tridentate nitrogen-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","5","884","888","10.1039/b417332e","","","0.71073","MoKα","","0.0835","0.0624","","","0.1593","0.1755","","","","","","1.037","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008129","7.0958","0.0004","14.3751","0.0008","15.7008","0.001","102.799","0.003","93.972","0.004","94.086","0.004","1551.8","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H63 N7 Zn -","- C83 H63 N7 Zn -","- C83 H63 N7 Zn -","1","0.5","","Chang, Jung-Che; Ma, Chi-Juan; Lee, Gene-Hsiang; Peng, Shie-Ming; Yeh, Chen-Yu","Porphyrin-triarylamine conjugates: strong electronic communication between triarylamine redox centers via the porphyrin dication.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1504","1508","10.1039/b417350c","","","0.71073","MoKα","","0.0768","0.0503","","","0.1226","0.1396","","","","","","1.015","","","","has coordinates,has disorder","179785","2020-10-21","18:00:00",""
"7008130","8.487","0.001","13.2496","0.0013","10.3211","0.0014","90","","92.596","0.015","90","","1159.4","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Dicarbonylnitrosylbromopicolinate-rhenium(i)","Dicarbonylnitrosylbromopicolinate-rhenium(I)","","- C8 H4 Br N2 O5 Re -","- C8 H4 Br N2 O5 Re -","- C32 H16 Br4 N8 O20 Re4 -","4","1","","Kurz, Philipp; Rattat, Dirk; Angst, Daniela; Schmalle, Helmut; Spingler, Bernhard; Alberto, Roger; Berke, Heinz; Beck, Wolfgang","The chemistry of the fac-[Re(CO)2(NO)]2+ fragment in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2005","","4","804","810","10.1039/b417425a","","","0.71073","MoKα","","0.0502","0.0426","","","0.1222","0.1262","","","","","","1.101","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008131","8.9563","0.0006","9.5622","0.0006","14.9054","0.001","96.921","0.008","98.735","0.008","91.503","0.008","1251.24","0.15","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","","","- C11 H14 Cl2 F6 N O9 Re S5 -","- C11.01 H12 Cl2 F6 N0.99 O9 Re S5 -","- C22.02 H24 Cl4 F12 N1.98 O18 Re2 S10 -","2","1","","Kurz, Philipp; Rattat, Dirk; Angst, Daniela; Schmalle, Helmut; Spingler, Bernhard; Alberto, Roger; Berke, Heinz; Beck, Wolfgang","The chemistry of the fac-[Re(CO)2(NO)]2+ fragment in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2005","","4","804","810","10.1039/b417425a","","","0.71073","MoKα","","0.0368","0.0333","","","0.0846","0.086","","","","","","0.985","","","","has coordinates,has disorder","179785","2020-10-21","18:00:00",""
"7008132","10.6351","0.0005","10.8432","0.0004","26.8375","0.0013","90","","90","","90","","3094.9","0.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H12 N5 O12 Re -","- C6 H12 N5 O12 Re -","- C48 H96 N40 O96 Re8 -","8","1","","Kurz, Philipp; Rattat, Dirk; Angst, Daniela; Schmalle, Helmut; Spingler, Bernhard; Alberto, Roger; Berke, Heinz; Beck, Wolfgang","The chemistry of the fac-[Re(CO)2(NO)]2+ fragment in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2005","","4","804","810","10.1039/b417425a","","","0.71073","MoKα","","0.0666","0.0489","","","0.098","0.1039","","","","","","0.969","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008133","17.089","0.0005","12.1972","0.0006","7.8032","0.0009","90","","90","","90","","1626.5","0.2","183","2","183","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H8 B Cl F4 N3 O3 Re -","- C12 H8 B Cl F4 N3 O3 Re -","- C48 H32 B4 Cl4 F16 N12 O12 Re4 -","4","0.5","","Kurz, Philipp; Rattat, Dirk; Angst, Daniela; Schmalle, Helmut; Spingler, Bernhard; Alberto, Roger; Berke, Heinz; Beck, Wolfgang","The chemistry of the fac-[Re(CO)2(NO)]2+ fragment in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2005","","4","804","810","10.1039/b417425a","","","0.71073","MoKα","","0.0522","0.043","","","0.118","0.1211","","","","","","1.025","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008134","12.4085","0.001","11.5293","0.0007","11.7316","0.001","90","","110.975","0.009","90","","1567.1","0.2","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Cl3 N O3 Re -","- C10 H15 Cl3 N O3 Re -","- C40 H60 Cl12 N4 O12 Re4 -","4","1","","Kurz, Philipp; Rattat, Dirk; Angst, Daniela; Schmalle, Helmut; Spingler, Bernhard; Alberto, Roger; Berke, Heinz; Beck, Wolfgang","The chemistry of the fac-[Re(CO)2(NO)]2+ fragment in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2005","","4","804","810","10.1039/b417425a","","","0.71073","MoKα","","0.057","0.0388","","","0.0925","0.0987","","","","","","0.973","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008135","5.7084","0.0005","6.5938","0.0004","15.3455","0.001","90","","91.693","0.006","90","","577.35","0.07","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C28 H20 N8 -","2","1","","Ghumaan, Sandeep; Sarkar, Biprajit; Patra, Srikanta; Parimal, Kumar; van Slageren, Joris; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","3,6-bis(2'-pyridyl)pyridazine (L) and its deprotonated form (L - H+)- as ligands for {(acac)2Ru(n+)} or {(bpy)2Ru(m+)}: investigation of mixed valency in [{(acac)2Ru}2(mu-L - H+)]0 and [{(bpy)2Ru}2(mu-L - H+)]4+ by spectroelectrochemistry and EPR.","Dalton transactions (Cambridge, England : 2003)","2005","","4","706","712","10.1039/b417530a","","","0.7093","MoKα","","0.0588","0.0322","","","0.0787","0.0888","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008136","9.6522","0.0019","12.727","0.003","15.596","0.003","90","","96.34","0.03","90","","1904.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(RO)2AlF(THF)]2 (R = C(CF3)3)","","- C24 H16 Al2 F38 O6 -","- C24 H16 Al2 F38 O6 -","- C48 H32 Al4 F76 O12 -","2","0.5","","Gonsior, Marcin; Krossing, Ingo","Preparation of stable AsBr4+ and I2As-PI3+ salts. Why didn't we succeed to prepare AsI4+ and As2X5+? A combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1203","1213","10.1039/b417629d","","","0.71073","MoKα","","0.0435","0.0301","","","0.071","0.075","","","","","","1.009","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008137","19.062","0.004","13.874","0.003","13.588","0.003","90","","90","","90","","3593.6","1.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","AsBr4(+)(Al(OR)4)(-) (R = C(CF3)3)","AsBr4(+)[Al(OR)4](-) (R = C(CF3)3)","","- C16 Al As Br4 F36 O4 -","- C16 Al As Br4 F36 O4 -","- C64 Al4 As4 Br16 F144 O16 -","4","1","","Gonsior, Marcin; Krossing, Ingo","Preparation of stable AsBr4+ and I2As-PI3+ salts. Why didn't we succeed to prepare AsI4+ and As2X5+? A combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1203","1213","10.1039/b417629d","","","0.71073","MoKα","","0.0925","0.0394","","","0.0861","0.1022","","","","","","0.855","","","","has coordinates,has disorder","179785","2020-10-21","18:00:00",""
"7008138","14.241","0.005","7.324","0.002","18.512","0.007","90","","106.367","0.006","90","","1852.6","1.1","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Al2 F4 N2 -","- C16 H20 Al2 F4 N2 -","- C64 H80 Al8 F16 N8 -","4","0.5","","Shukla, Piyush; Cowley, Alan H.; Jones, Jamie N.; Gordon, John C.; Scott, Brian L.","Fluoroaryl-substituted aminoalane dimers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1019","1022","10.1039/b417652a","","","0.71073","MoKα","","0.078","0.0596","","","0.1086","0.1129","","","","","","1.395","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008139","12.303","0.003","7.3293","0.0015","19.242","0.004","90","","90","","90","","1735.1","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Al F N -","- C8 H10 Al F N -","- C64 H80 Al8 F8 N8 -","8","1","","Shukla, Piyush; Cowley, Alan H.; Jones, Jamie N.; Gordon, John C.; Scott, Brian L.","Fluoroaryl-substituted aminoalane dimers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1019","1022","10.1039/b417652a","","","0.71073","MoKα","","0.2723","0.1373","","","0.2669","0.3382","","","","","","1.062","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008140","7.712","0.003","9.689","0.004","17.153","0.008","91.044","0.007","92.103","0.008","94.798","0.009","1276.1","0.9","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Al2 F8 N2 -","- C16 H16 Al2 F8 N2 -","- C32 H32 Al4 F16 N4 -","2","1","","Shukla, Piyush; Cowley, Alan H.; Jones, Jamie N.; Gordon, John C.; Scott, Brian L.","Fluoroaryl-substituted aminoalane dimers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1019","1022","10.1039/b417652a","","","0.71073","MoKα","","0.107","0.0822","","","0.2025","0.2091","","","","","","1.537","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008141","10.262","0.002","14.141","0.003","13.064","0.003","90","","110.505","0.004","90","","1775.7","0.7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Al2 F2 N2 -","- C16 H22 Al2 F2 N2 -","- C64 H88 Al8 F8 N8 -","4","1","","Shukla, Piyush; Cowley, Alan H.; Jones, Jamie N.; Gordon, John C.; Scott, Brian L.","Fluoroaryl-substituted aminoalane dimers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1019","1022","10.1039/b417652a","","","0.71073","MoKα","","0.097","0.07","","","0.1325","0.1392","","","","","","1.382","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008142","6.8832","0.0018","7.288","0.002","10.168","0.003","102.623","0.004","90.873","0.005","105.897","0.005","477.2","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Al2 F8 N2 -","- C16 H16 Al2 F8 N2 -","- C16 H16 Al2 F8 N2 -","1","0.5","","Shukla, Piyush; Cowley, Alan H.; Jones, Jamie N.; Gordon, John C.; Scott, Brian L.","Fluoroaryl-substituted aminoalane dimers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1019","1022","10.1039/b417652a","","","0.71073","MoKα","","0.0505","0.0442","","","0.1368","0.1388","","","","","","1.697","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008143","7.7217","0.0018","9.699","0.002","17.933","0.004","75.731","0.004","88.946","0.004","82.922","0.004","1291.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Al2 F10 N2 -","- C23 H22 Al2 F10 N2 -","- C46 H44 Al4 F20 N4 -","2","1","","Shukla, Piyush; Cowley, Alan H.; Jones, Jamie N.; Gordon, John C.; Scott, Brian L.","Fluoroaryl-substituted aminoalane dimers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1019","1022","10.1039/b417652a","","","0.71073","MoKα","","0.0613","0.049","","","0.1282","0.1322","","","","","","1.433","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008144","8.8481","0.0011","17.153","0.002","14.901","0.002","90","","98.024","0.011","90","","2239.4","0.5","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Disodium-copper(ii)-1-propylamino-4-acetato-1,4,7- triazacyclononane triperchlorate","","","- C11 H23 Cl3 Cu N4 Na2 O14 -","- C11 H23 Cl3 Cu N4 Na2 O14 -","- C44 H92 Cl12 Cu4 N16 Na8 O56 -","4","1","","Warden, Andrew C.; Spiccia, Leone; Hearn, Milton T. W.; Boas, John F.; Pilbrow, John R.","The synthesis, structure and properties of copper(II) complexes of asymmetrically functionalized derivatives of 1,4,7-triazacyclononane.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1804","1813","10.1039/b417739h","","","0.71073","MoKα","","0.085","0.0452","","","0.1","0.115","","","","","","0.993","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008145","10.2604","0.0002","11.4625","0.0002","13.3845","0.0002","90","","90","","90","","1574.15","0.05","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Copper(ii)-1-benzyl-4-acetato-1,4,7-triazacyclononane chloride","Copper(II)-1-benzyl-4-acetato-1,4,7-triazacyclononane chloride","","- C15 H22 Cl Cu N3 O2 -","- C15 H22 Cl Cu N3 O2 -","- C60 H88 Cl4 Cu4 N12 O8 -","4","1","","Warden, Andrew C.; Spiccia, Leone; Hearn, Milton T. W.; Boas, John F.; Pilbrow, John R.","The synthesis, structure and properties of copper(II) complexes of asymmetrically functionalized derivatives of 1,4,7-triazacyclononane.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1804","1813","10.1039/b417739h","","","0.71073","MoKα","","0.0468","0.0393","","","0.1021","0.1059","","","","","","1.034","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008146","20.7191","0.0005","16.1383","0.0004","14.7336","0.0003","90","","106.19","0.03","90","","4731.1","0.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis-(copper(ii)-1-benzyl-4-propylamino-1,4,7- triazacyclononane) tetraperchlorate pentahydrate","","","- C32 H56 Cl4 Cu2 N8 O21 -","- C32 H56 Cl4 Cu2 N8 O21 -","- C128 H224 Cl16 Cu8 N32 O84 -","4","1","","Warden, Andrew C.; Spiccia, Leone; Hearn, Milton T. W.; Boas, John F.; Pilbrow, John R.","The synthesis, structure and properties of copper(II) complexes of asymmetrically functionalized derivatives of 1,4,7-triazacyclononane.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1804","1813","10.1039/b417739h","","","0.71073","MoKα","","0.1182","0.0737","","","0.1562","0.1706","","","","","","1.063","","","","has coordinates,has disorder","179785","2020-10-21","18:00:00",""
"7008147","19.301","0.004","8.0755","0.0016","8.7552","0.0018","90","","90","","90","","1364.6","0.5","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","Copper(ii)-1-formyl-4-acetato-1,4,7-triazacyclononane perchlorate","","","- C9 H16 Cl Cu N3 O7 -","- C9 H16 Cl Cu N3 O7 -","- C36 H64 Cl4 Cu4 N12 O28 -","4","1","","Warden, Andrew C.; Spiccia, Leone; Hearn, Milton T. W.; Boas, John F.; Pilbrow, John R.","The synthesis, structure and properties of copper(II) complexes of asymmetrically functionalized derivatives of 1,4,7-triazacyclononane.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1804","1813","10.1039/b417739h","","","0.71073","MoKα","","0.0328","0.0296","","","0.0698","0.0718","","","","","","1.069","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008148","15.016","0.002","15.016","0.002","14.129","0.003","90","","90","","90","","3185.8","0.9","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H35 Cl O P2 Pd -","- C36 H35 Cl O P2 Pd -","- C144 H140 Cl4 O4 P8 Pd4 -","4","0.5","","Olsson, Daniel; Nilsson, Patrik; El Masnaouy, Mostafa; Wendt, Ola F.","A catalytic and mechanistic investigation of a PCP pincer palladium complex in the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1924","1929","10.1039/b417908k","","","0.71073","MoKα","","0.05","0.0299","","","0.0691","0.074","","","","","","0.993","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008149","10.6786","0.0018","10.9964","0.0019","15.825","0.003","90","","93.093","0.003","90","","1855.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 As2 Cl2 Pd -","- C42 H42 As2 Cl2 Pd -","- C84 H84 As4 Cl4 Pd2 -","2","0.5","","Baber, R. Angharad; Collard, Simon; Hooper, Mark; Orpen, A. Guy; Pringle, Paul G.; Wilkinson, Matthew J.; Wingad, Richard L.","Bulky triarylarsines are effective ligands for palladium catalysed Heck olefination.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1491","1498","10.1039/b417910b","","","0.71073","MoKα","","0.0862","0.047","","","0.0801","0.0901","","","","","","1.041","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008150","14.116","0.003","24.806","0.005","19.594","0.004","90","","99.57","0.03","90","","6766","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H84 As2 Cl8 O6 Pt -","- C63 H84 As2 Cl8 O6 Pt -","- C252 H336 As8 Cl32 O24 Pt4 -","4","1","","Baber, R. Angharad; Collard, Simon; Hooper, Mark; Orpen, A. Guy; Pringle, Paul G.; Wilkinson, Matthew J.; Wingad, Richard L.","Bulky triarylarsines are effective ligands for palladium catalysed Heck olefination.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1491","1498","10.1039/b417910b","","","0.71073","MoKα","","0.0781","0.0654","","","0.1558","0.1636","","","","","","1.096","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008151","23.372","0.003","22.429","0.003","12.0476","0.0017","90","","111.361","0.003","90","","5881.6","1.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H61 Cu4 K N20 O5 S2 -","- C49 H61 Cu4 K N20 O5 S2 -","- C196 H244 Cu16 K4 N80 O20 S8 -","4","0.5","","Chan, Zhi-Kai; Wu, Ying-Yann; Chen, Jhy-Der; Yeh, Chen-Yu; Wang, Chih-Chieh; Tsai, Yi-Fang; Wang, Ju-Chun","Linear and cyclic tetranuclear copper(I) complexes containing anions of N,N'-bis(pyrimidine-2-yl)formamidine.","Dalton transactions (Cambridge, England : 2003)","2005","","5","985","990","10.1039/b417911k","","","0.71073","MoKα","","0.0869","0.0487","","","0.1079","0.1269","","","","","","1.041","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008152","17.396","0.003","11.9413","0.0019","20.412","0.003","90","","110.662","0.003","90","","3967.5","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Cu4 N24 -","- C36 H28 Cu4 N24 -","- C144 H112 Cu16 N96 -","4","0.5","","Chan, Zhi-Kai; Wu, Ying-Yann; Chen, Jhy-Der; Yeh, Chen-Yu; Wang, Chih-Chieh; Tsai, Yi-Fang; Wang, Ju-Chun","Linear and cyclic tetranuclear copper(I) complexes containing anions of N,N'-bis(pyrimidine-2-yl)formamidine.","Dalton transactions (Cambridge, England : 2003)","2005","","5","985","990","10.1039/b417911k","","","0.71073","MoKα","","0.0592","0.038","","","0.0962","0.1075","","","","","","1.061","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008153","12.1269","0.0015","15.4003","0.0019","15.433","0.0019","77.244","0.002","80.623","0.002","69.965","0.002","2629","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H57 Cu4 N21 S2 -","- C45 H57 Cu4 N21 S2 -","- C90 H114 Cu8 N42 S4 -","2","1","","Chan, Zhi-Kai; Wu, Ying-Yann; Chen, Jhy-Der; Yeh, Chen-Yu; Wang, Chih-Chieh; Tsai, Yi-Fang; Wang, Ju-Chun","Linear and cyclic tetranuclear copper(I) complexes containing anions of N,N'-bis(pyrimidine-2-yl)formamidine.","Dalton transactions (Cambridge, England : 2003)","2005","","5","985","990","10.1039/b417911k","","","0.71073","MoKα","","0.0724","0.0362","","","0.0832","0.0964","","","","","","1.002","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008154","7.76","0.002","8.53","0.002","14.599","0.004","96.943","0.006","102.772","0.006","111.955","0.005","851.7","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl4 N2 O5 Pt -","- C12 H12 Cl4 N2 O5 Pt -","- C24 H24 Cl8 N4 O10 Pt2 -","2","1","","Griffith, Darren; Lyssenko, Konstantin; Jensen, Paul; Kruger, Paul E.; Marmion, Celine J.","Novel platinum(II) ammine hydroxamate and hydroximate complexes and the platinum-assisted hydrolysis of hydroxamic acids.","Dalton transactions (Cambridge, England : 2003)","2005","","5","956","961","10.1039/b417953f","","","0.71073","MoKα","","0.0443","0.0345","","","0.0727","0.0763","","","","","","1.071","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008155","22.6328","0.001","11.1671","0.0005","14.4022","0.0006","90","","99.007","0.001","90","","3595.2","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 Cl2 N6 O11 Pt2 -","- C6 H18 Cl2 N6 O11 Pt2 -","- C48 H144 Cl16 N48 O88 Pt16 -","8","1","","Griffith, Darren; Lyssenko, Konstantin; Jensen, Paul; Kruger, Paul E.; Marmion, Celine J.","Novel platinum(II) ammine hydroxamate and hydroximate complexes and the platinum-assisted hydrolysis of hydroxamic acids.","Dalton transactions (Cambridge, England : 2003)","2005","","5","956","961","10.1039/b417953f","","","0.71073","MoKα","","0.0593","0.0456","","","0.1085","0.1138","","","","","","1.053","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7008156","9.9425","0.0006","13.294","0.002","20.143","0.002","90","","90.66","0.01","90","","2662.2","0.5","296","2","296","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H37 Co2 N11 O5 -","- C17 H37 Co2 N11 O5 -","- C68 H148 Co8 N44 O20 -","4","1","","Macpherson, Brendan P.; Alzoubi, Basam M.; Bernhardt, Paul V.; Martínez, Manuel; Tregloan, Peter A.; van Eldik, Rudi","Pressure and temperature effects on metal-to-metal charge transfer in cyano-bridged CoIII-FeII complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1459","1467","10.1039/b418054b","","x-ray","0.71073","MoKα","","0.1415","0.0391","","","0.0792","0.1043","","","","","","0.974","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008157","10.372","0.002","11.649","0.002","12.263","0.003","69.43","0.02","86.03","0.02","85.137","0.015","1381","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H18 Cl2 F36 P2 Pt -","- C48 H18 Cl2 F36 P2 Pt -","- C48 H18 Cl2 F36 P2 Pt -","1","0.5","","Clarke, Matthew L.; Ellis, Dianne; Mason, Kate L.; Orpen, A. Guy; Pringle, Paul G.; Wingad, Richard L.; Zaher, Damien A.; Baker, R. Tom","The electron-poor phosphines P{C6H3(CF3)2-3,5}3 and P(C6F5)3 do not mimic phosphites as ligands for hydroformylation. A comparison of the coordination chemistry of P{C6H3(CF3)2-3,5}3 and P(C6F5)3 and the unexpectedly low hydroformylation activity of their rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1294","1300","10.1039/b418193j","","","0.71073","MoKα","","0.019","0.019","","0.0488","0.0488","","","","1.027","1.027","1.027","","","","","has coordinates,has disorder","179785","2020-10-21","18:00:00",""
"7008158","10.377","0.001","14.731","0.004","12.008","0.004","90","","100.59","0.01","90","","1804.3","0.8","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 N2 P4 Se4 Sn -","- C24 H56 N2 P4 Se4 Sn -","- C48 H112 N4 P8 Se8 Sn2 -","2","0.5","","Cea-Olivares, Raymundo; Moya-Cabrera, Mónica; García-Montalvo, Verónica; Castro-Blanco, Rafael; Toscano, Rubén A; Hernández-Ortega, Simón","True square planar [M{N(SePiPr2)2-Se,Se'}2][M = Sn, Se] complexes. An extraordinary geometrical arrangement for well known centers [Sn(II), Se(II)].","Dalton transactions (Cambridge, England : 2003)","2005","","6","1017","1018","10.1039/b418198k","","","0.71073","MoKα","","0.0755","0.0684","","","0.2295","0.2374","","","","","","1.096","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008159","10.375","0.001","14.725","0.001","11.997","0.001","90","","100.57","0.01","90","","1801.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(N-(Diisopropylphosphanylselenoyl)-P,P-diisophenylphosphanyl selenoic amidato-Se,Se')selenium(ii)","2,2,4,4,8,8,10,10-Octaisopropyl-3,9-diaza-2,4,8,10-tetraphospha- 1,5,6,7,11-pentaselenaspiro(5.5)undeca-2,8-diene","","- C24 H56 N2 P4 Se5 -","- C24 H56 N2 P4 Se5 -","- C48 H112 N4 P8 Se10 -","2","0.5","","Cea-Olivares, Raymundo; Moya-Cabrera, Mónica; García-Montalvo, Verónica; Castro-Blanco, Rafael; Toscano, Rubén A; Hernández-Ortega, Simón","True square planar [M{N(SePiPr2)2-Se,Se'}2][M = Sn, Se] complexes. An extraordinary geometrical arrangement for well known centers [Sn(II), Se(II)].","Dalton transactions (Cambridge, England : 2003)","2005","","6","1017","1018","10.1039/b418198k","","","0.71073","MoKα","","0.0915","0.0373","","","0.0439","0.0483","","","","","","0.955","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008160","8.476","0.0011","13.0531","0.0014","16.115","0.002","93.375","0.011","102.595","0.012","100.232","0.011","1703.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H42 Cl Ir O7 P2 -","- C33 H42 Cl Ir O7 P2 -","- C66 H84 Cl2 Ir2 O14 P4 -","2","1","","Baber, R. Angharad; Clarke, Matthew L.; Heslop, Katie M.; Marr, Andrew C.; Orpen, A. Guy; Pringle, Paul G.; Ward, Andrew; Zambrano-Williams, Damaris E","Phenylphosphatrioxa-adamantanes: bulky, robust, electron-poor ligands that give very efficient rhodium(I) hydroformylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1079","1085","10.1039/b418259f","","","0.71073","MoKα","","0.0383","0.0281","","","0.0602","0.0628","","","","","","1.007","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008161","7.6097","0.0015","10.758","0.002","12.984","0.003","90.03","0.03","103.56","0.03","108.26","0.03","978.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H46 Cl6 O6 P2 Pd -","- C34 H46 Cl6 O6 P2 Pd -","- C34 H46 Cl6 O6 P2 Pd -","1","0.5","","Baber, R. Angharad; Clarke, Matthew L.; Heslop, Katie M.; Marr, Andrew C.; Orpen, A. Guy; Pringle, Paul G.; Ward, Andrew; Zambrano-Williams, Damaris E","Phenylphosphatrioxa-adamantanes: bulky, robust, electron-poor ligands that give very efficient rhodium(I) hydroformylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1079","1085","10.1039/b418259f","","","0.71073","MoKα","","0.0409","0.0334","","","0.0787","0.0814","","","","","","1.04","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008162","8.6852","0.0013","9.8884","0.0014","11.9403","0.0017","96.531","0.002","98.137","0.002","94.415","0.002","1004","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H58 Cl2 O6 P2 Pd -","- C40 H58 Cl2 O6 P2 Pd -","- C40 H58 Cl2 O6 P2 Pd -","1","0.5","","Baber, R. Angharad; Clarke, Matthew L.; Heslop, Katie M.; Marr, Andrew C.; Orpen, A. Guy; Pringle, Paul G.; Ward, Andrew; Zambrano-Williams, Damaris E","Phenylphosphatrioxa-adamantanes: bulky, robust, electron-poor ligands that give very efficient rhodium(I) hydroformylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1079","1085","10.1039/b418259f","","","0.71073","MoKα","","0.0546","0.0362","","","0.0844","0.0987","","","","","","0.993","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008163","17.914","0.003","11.206","0.002","13.4602","0.0019","90","","98.157","0.011","90","","2674.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 Cl3 Co N O3 P -","- C22 H37 Cl3 Co N O3 P -","- C88 H148 Cl12 Co4 N4 O12 P4 -","4","1","","Baber, R. Angharad; Clarke, Matthew L.; Heslop, Katie M.; Marr, Andrew C.; Orpen, A. Guy; Pringle, Paul G.; Ward, Andrew; Zambrano-Williams, Damaris E","Phenylphosphatrioxa-adamantanes: bulky, robust, electron-poor ligands that give very efficient rhodium(I) hydroformylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1079","1085","10.1039/b418259f","","","0.71073","MoKα","","0.0587","0.0297","","","0.0572","0.0634","","","","","","0.914","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008164","7.4441","0.0003","10.3911","0.0006","8.8386","0.0004","90","","113.95","0.003","90","","624.82","0.05","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H14 B8 Fe P2 -","- C6 H14 B8 Fe P2 -","- C12 H28 B16 Fe2 P4 -","2","0.5","","Bakardjiev, Mario; Holub, Josef; Carr, Michael J.; Kennedy, John D.; Stibr, Bohumil","Diphosphacarborane analogues of ferrocene: the synthesis of two isomeric twelve-vertex closo-[(eta5-C5H5)FeP2CB8H9] complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","5","909","913","10.1039/b418370c","","","0.71073","MoKα","","0.0653","0.0534","","","0.1439","0.1516","","","","","","1.069","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008165","26.8072","0.0015","6.9641","0.0006","16.3096","0.0011","90","","124.336","0.004","90","","2514.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 B8 Fe P2 -","- C6 H14 B8 Fe P2 -","- C48 H112 B64 Fe8 P16 -","8","1","","Bakardjiev, Mario; Holub, Josef; Carr, Michael J.; Kennedy, John D.; Stibr, Bohumil","Diphosphacarborane analogues of ferrocene: the synthesis of two isomeric twelve-vertex closo-[(eta5-C5H5)FeP2CB8H9] complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","5","909","913","10.1039/b418370c","","","0.71073","MoKα","","0.0864","0.0696","","","0.1643","0.1745","","","","","","1.112","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008166","15.991","0.005","25.14","0.007","20.922","0.006","90","","93.457","0.006","90","","8396","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H96 Cl4 Fe4 N12 O26 -","- C72 H80 Cl4 Fe4 N12 O22 -","- C288 H320 Cl16 Fe16 N48 O88 -","4","0.5","","Ghiladi, Morten; Larsen, Frank B.; McKenzie, Christine J.; Sotofte, Inger; Tuchagues, Jean-Pierre","2:2 Fe(III):ligand and ""adamantane core"" 4:2 Fe(III):ligand (hydr)oxo complexes of an acyclic ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1687","1692","10.1039/b418430k","","","0.71073","MoKα","","0.1152","0.0904","","","0.2234","0.236","","","","","","1.082","","","","has coordinates,has disorder","179785","2020-10-21","18:00:00",""
"7008167","15.18","0.003","10.722","0.002","25.921","0.005","90","","95.24","0.03","90","","4201.3","1.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H94 Cl4 Fe2 N12 O22 -","- C78 H94 Cl4 Fe2 N12 O22 -","- C156 H188 Cl8 Fe4 N24 O44 -","2","1","","Ghiladi, Morten; Larsen, Frank B.; McKenzie, Christine J.; Sotofte, Inger; Tuchagues, Jean-Pierre","2:2 Fe(III):ligand and ""adamantane core"" 4:2 Fe(III):ligand (hydr)oxo complexes of an acyclic ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1687","1692","10.1039/b418430k","","","0.71073","MoKα","","0.121","0.07","","0.1555","0.1283","","","","1.05","1.074","1.074","","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008168","10.2993","0.0018","11.2657","0.0013","17.012","0.003","90","","90.041","0.009","90","","1973.9","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 N4 O2 Zr -","- C18 H36 N4 O2 Zr -","- C72 H144 N16 O8 Zr4 -","4","1","","Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian; Titcomb, Lisa R.","Zirconium and titanium amido complexes with 3,3-dimethyl-1,5-diaza-8-oxacyclodecane; facile C-H activation of the macrocyclic rim.","Dalton transactions (Cambridge, England : 2003)","2005","","3","427","428","10.1039/b418431a","","","0.71073","MoKα","","0.0465","0.0339","","","0.07","0.0745","","","","","","1.034","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008169","9.0291","0.0005","10.7445","0.0006","15.7401","0.0009","90","","90.12","0.01","90","","1526.99","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N4 O2 Ti2 -","- C32 H48 N4 O2 Ti2 -","- C64 H96 N8 O4 Ti4 -","2","0.5","","Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian; Titcomb, Lisa R.","Zirconium and titanium amido complexes with 3,3-dimethyl-1,5-diaza-8-oxacyclodecane; facile C-H activation of the macrocyclic rim.","Dalton transactions (Cambridge, England : 2003)","2005","","3","427","428","10.1039/b418431a","","","0.71073","MoKα","","0.0869","0.0531","","","0.1079","0.1214","","","","","","1.028","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008170","11.1818","0.0007","11.1818","0.0007","27.412","0.002","90","","90","","120","","2968.2","0.3","200","2","200","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","(Diaquo-hexaoxalato-tetrabarium(ii)-hexakis(hexa-mu3- hydroxohexairon(ii))) dibromide tetrahydrate","[Diaquo-hexaoxalato-tetrabarium(II)-hexakis(hexa-μ3-hydroxohexairon(II))] dibromide tetrahydrate","","- C12 H18 Ba4 Br2 Fe6 O36 -","- C12 H14.04 Ba4 Br1.98 Fe6 O36.02 -","- C36 H42.12 Ba12 Br5.94 Fe18 O108.06 -","3","0.0833333","","Fei, Bao-Li; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","Crystal structure and magnetic properties of a pseudo-cubic close-packed array of oxalate linked {FeII6(mu3-OH)6}6+ clusters.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1381","1386","10.1039/b418444k","","","0.71073","MoKα","","0.0339","0.0324","","","0.085","0.0865","","","","","","1.061","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008171","11.1999","0.0012","11.1999","0.0012","27.428","0.003","90","","90","","120","","2979.6","0.6","200","2","200","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","(Diaquo-hexaoxalato-tetrabarium(ii)-hexakis(hexa-mu3- hydroxohexairon(ii))) diiodide tetrahydrate","[Diaquo-hexaoxalato-tetrabarium(II)-hexakis(hexa-μ3-hydroxohexairon(II))] diiodide tetrahydrate","","- C12 H18 Ba4 Fe6 I2 O36 -","- C12 H14.04 Ba4 Fe6 I1.98 O36.02 -","- C36 H42.12 Ba12 Fe18 I5.94 O108.06 -","3","0.0833333","","Fei, Bao-Li; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","Crystal structure and magnetic properties of a pseudo-cubic close-packed array of oxalate linked {FeII6(mu3-OH)6}6+ clusters.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1381","1386","10.1039/b418444k","","","0.71073","MoKα","","0.0669","0.0642","","","0.1607","0.1642","","","","","","1.029","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008172","7.3352","0.0003","19.9225","0.0012","9.3996","0.0012","90","","96.766","0.009","90","","1364","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl3 N3 Pt -","- C11 H8 Cl3 N3 Pt -","- C44 H32 Cl12 N12 Pt4 -","4","1","","Panda, Manashi; Das, Srijit; Mostafa, Golam; Castineiras, Alfonso; Goswami, Sreebrata","Platinum complexes of diazo ligands. Studies of regioselective aromatic ring amination, oxidative halogen addition and reductive halogen elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1249","1255","10.1039/b418470j","","","0.71073","MoKα","","0.0366","0.024","","","0.0544","0.058","","","","","","1.052","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008173","6.7696","0.0003","16.4559","0.0008","14.7526","0.0007","90","","91.102","0.001","90","","1643.13","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl N4 Pt -","- C18 H15 Cl N4 Pt -","- C72 H60 Cl4 N16 Pt4 -","4","1","","Panda, Manashi; Das, Srijit; Mostafa, Golam; Castineiras, Alfonso; Goswami, Sreebrata","Platinum complexes of diazo ligands. Studies of regioselective aromatic ring amination, oxidative halogen addition and reductive halogen elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1249","1255","10.1039/b418470j","","","0.71073","MoKα","","0.041","0.0239","","","0.0355","0.0376","","","","","","0.869","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008174","12.1865","0.0009","8.5286","0.0006","18.5423","0.0013","90","","105.165","0.001","90","","1860.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br3 N4 Pt -","- C17 H13 Br3 N4 Pt -","- C68 H52 Br12 N16 Pt4 -","4","1","","Panda, Manashi; Das, Srijit; Mostafa, Golam; Castineiras, Alfonso; Goswami, Sreebrata","Platinum complexes of diazo ligands. Studies of regioselective aromatic ring amination, oxidative halogen addition and reductive halogen elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1249","1255","10.1039/b418470j","","","0.71073","MoKα","","0.0423","0.0364","","","0.0902","0.093","","","","","","1.025","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008175","9.65","0.0007","14.2218","0.001","14.8154","0.001","90","","108.454","0.001","90","","1928.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl I2 N4 Pt -","- C17 H13 Cl I2 N4 Pt -","- C68 H52 Cl4 I8 N16 Pt4 -","4","1","","Panda, Manashi; Das, Srijit; Mostafa, Golam; Castineiras, Alfonso; Goswami, Sreebrata","Platinum complexes of diazo ligands. Studies of regioselective aromatic ring amination, oxidative halogen addition and reductive halogen elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1249","1255","10.1039/b418470j","","","0.71073","MoKα","","0.0357","0.0339","","","0.0835","0.0844","","","","","","1.167","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008176","19.8716","0.0008","19.8716","0.0008","29.6313","0.0017","90","","90","","90","","11700.8","0.9","190","2","190","2","","","","","","","","7","I 41/a :2","-I 4ad","88","(tris(2-aminoethyl)amine)-cobalt(iii)(N,N'-bis(2- Hydroxyiminopropionyl) propane-1,3-diamine)-copper(ii) nitrate lithium nitrate pentahydrate methanol solvate","(tris(2-aminoethyl)amine)-cobalt(III)(N,N'-bis(2-Hydroxyiminopropionyl) propane-1,3-diamine)-copper(II) nitrate lithium nitrate pentahydrate methanol solvate","","- C15 H42.5 Co Cu Li0.25 N9.25 O14 -","- C15 H35 Co Cu Li0.25 N9 O14.25 -","- C240 H560 Co16 Cu16 Li4 N144 O228 -","16","1","","Kanderal, Olga M.; Kozlowski, Henryk; Dobosz, Agnieszka; Swiatek-Kozlowska, Jolanta; Meyer, Franc; Fritsky, Igor O.","Effect of metal ionic radius and chelate ring alternation motif on stabilization of trivalent nickel and copper in binuclear complexes with double cis-oximato bridges.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1428","1437","10.1039/b418598f","","","0.71073","MoKα","","0.07","0.0454","","","0.1118","0.1268","","","","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008177","11.539","0.002","12.188","0.002","12.527","0.003","61.69","0.03","75.1","0.03","76.22","0.03","1484.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","tetraphenylphosphonium (N,N'-bis(2- Hydroxyiminopropionyl)propane-1,3-diamine) -nickelate(ii) monohydrate","tetraphenylphosphonium (N,N'-bis(2-Hydroxyiminopropionyl)propane-1,3-diamine) -nickelate(II) monohydrate","","- C33 H35 N4 Ni O5 P -","- C33 H34 N4 Ni O5 P -","- C66 H68 N8 Ni2 O10 P2 -","2","1","","Kanderal, Olga M.; Kozlowski, Henryk; Dobosz, Agnieszka; Swiatek-Kozlowska, Jolanta; Meyer, Franc; Fritsky, Igor O.","Effect of metal ionic radius and chelate ring alternation motif on stabilization of trivalent nickel and copper in binuclear complexes with double cis-oximato bridges.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1428","1437","10.1039/b418598f","","","0.71073","MoKα","","0.0431","0.0365","","","0.0979","0.1019","","","","","","1.045","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008178","22.274","0.004","20.539","0.004","15.231","0.003","90","","97.18","0.03","90","","6913","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetraphenylarsonium (N,N'-bis(2-Hydroxyiminopropionyl)buthane- 1,4-diamine) -nickelate(ii) trihydrate","tetraphenylarsonium (N,N'-bis(2-Hydroxyiminopropionyl)buthane-1,4-diamine) -nickelate(II) trihydrate","","- C34 H42 As N4 Ni O7.5 -","- C34 H40.5 As N4 Ni O7.5 -","- C272 H324 As8 N32 Ni8 O60 -","8","1","","Kanderal, Olga M.; Kozlowski, Henryk; Dobosz, Agnieszka; Swiatek-Kozlowska, Jolanta; Meyer, Franc; Fritsky, Igor O.","Effect of metal ionic radius and chelate ring alternation motif on stabilization of trivalent nickel and copper in binuclear complexes with double cis-oximato bridges.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1428","1437","10.1039/b418598f","","","0.71073","MoKα","","0.0616","0.0419","","","0.0902","0.0982","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008179","7.743","0.002","14.627","0.003","19.177","0.004","90","0.03","96.77","0.03","90","0.03","2156.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(tris(2-aminoethyl)amine)-nickel(ii)(N,N'-bis(2- Hydroxyiminopropionyl) ethane-1,2-diamine)-nickel(ii) dihydrate","(tris(2-aminoethyl)amine)-nickel(II)(N,N'-bis(2-Hydroxyiminopropionyl) ethane-1,2-diamine)-nickel(II) dihydrate","","- C14 H32 N8 Ni2 O6 -","- C14 H32 N8 Ni2 O6 -","- C56 H128 N32 Ni8 O24 -","4","1","","Kanderal, Olga M.; Kozlowski, Henryk; Dobosz, Agnieszka; Swiatek-Kozlowska, Jolanta; Meyer, Franc; Fritsky, Igor O.","Effect of metal ionic radius and chelate ring alternation motif on stabilization of trivalent nickel and copper in binuclear complexes with double cis-oximato bridges.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1428","1437","10.1039/b418598f","","","0.71073","MoKα","","0.0513","0.0477","","","0.1262","0.1314","","","","","","1.13","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008180","7.979","0.002","11.528","0.002","12.454","0.002","85.93","0.03","81.4","0.03","80.95","0.03","1117.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(tris(2-aminoethyl)amine)-cobalt(iii)(N,N'-bis(2- Hydroxyiminopropionyl) ethane-1,2-diamine)-nickel(ii) perchlorate monohydrate","(tris(2-aminoethyl)amine)-cobalt(III)(N,N'-bis(2-Hydroxyiminopropionyl) ethane-1,2-diamine)-nickel(II) perchlorate monohydrate","","- C14 H30 Cl Co N8 Ni O9 -","- C14 H30 Cl Co N8 Ni O9 -","- C28 H60 Cl2 Co2 N16 Ni2 O18 -","2","1","","Kanderal, Olga M.; Kozlowski, Henryk; Dobosz, Agnieszka; Swiatek-Kozlowska, Jolanta; Meyer, Franc; Fritsky, Igor O.","Effect of metal ionic radius and chelate ring alternation motif on stabilization of trivalent nickel and copper in binuclear complexes with double cis-oximato bridges.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1428","1437","10.1039/b418598f","","","0.71073","MoKα","","0.0327","0.0282","","","0.0716","0.0746","","","","","","1.053","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008181","10.812","0.002","21.043","0.004","14.031","0.003","90","","109.89","0.03","90","","3001.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tetraphenylphosphonium (N,N'-bis(2- Hydroxyiminopropionyl)propane-1,3-diamine) -nickelate(ii) monohydrate","tetraphenylphosphonium (N,N'-bis(2-Hydroxyiminopropionyl)propane-1,3-diamine) -nickelate(II) monohydrate","","- C33 H35 N4 Ni O5 P -","- C33 H35 N4 Ni O5 P -","- C132 H140 N16 Ni4 O20 P4 -","4","1","","Kanderal, Olga M.; Kozlowski, Henryk; Dobosz, Agnieszka; Swiatek-Kozlowska, Jolanta; Meyer, Franc; Fritsky, Igor O.","Effect of metal ionic radius and chelate ring alternation motif on stabilization of trivalent nickel and copper in binuclear complexes with double cis-oximato bridges.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1428","1437","10.1039/b418598f","","","0.71073","MoKα","","0.0512","0.0355","","","0.0765","0.0818","","","","","","1.09","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008182","5.9185","0.0014","7.9334","0.0012","11.732","0.003","90","","97.86","0.03","90","","545.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","CpNi(dmit)","","","- C8 H5 Ni S5 -","- C8 H5 Ni S5 -","- C16 H10 Ni2 S10 -","2","1","","Fourmigué, Marc; Avarvari, Narcis","A series of neutral radical CpNi(dithiolene). complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1365","1371","10.1039/b418756n","","","0.71073","MoKα","","0.0952","0.0386","","","0.058","0.0687","","","","","","0.737","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008183","6.075","0.0012","7.9798","0.0011","11.8369","0.0019","90","","97.55","0.02","90","","568.85","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","CpNi(dsit)","","","- C8 H5 Ni S3 Se2 -","- C8 H5 Ni S3 Se2 -","- C16 H10 Ni2 S6 Se4 -","2","1","","Fourmigué, Marc; Avarvari, Narcis","A series of neutral radical CpNi(dithiolene). complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1365","1371","10.1039/b418756n","","","0.71073","MoKα","","0.0669","0.0382","","","0.0743","0.0805","","","","","","0.856","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008184","8.0485","0.0007","7.2993","0.0007","17.7872","0.0019","90","","90","","90","","1044.97","0.18","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","CpNi(dmid)","","","- C8 H5 Ni O S4 -","- C8 H5 Ni O S4 -","- C32 H20 Ni4 O4 S16 -","4","0.5","","Fourmigué, Marc; Avarvari, Narcis","A series of neutral radical CpNi(dithiolene). complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1365","1371","10.1039/b418756n","","x-ray","0.71073","MoKα","","","0.0263","","","","0.0615","","","","","","0.937","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008185","19.3711","0.001","9.5415","0.0005","10.8882","0.0006","90","","116.184","0.001","90","","1805.94","0.17","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","0.5","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and copper(II) and use of the latter as components for the assembly of extended metallo-supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2005","","5","857","864","10.1039/b418870e","","","0.71073","MoKα","","0.0436","0.0402","","","0.1136","0.117","","","","","","1.054","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008186","11.8449","0.0007","11.7625","0.0007","25.3454","0.0015","90","","94.328","0.001","90","","3521.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H80 Cu2 N8 O8 -","- C80 H80 Cu2 N8 O8 -","- C160 H160 Cu4 N16 O16 -","2","0.5","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and copper(II) and use of the latter as components for the assembly of extended metallo-supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2005","","5","857","864","10.1039/b418870e","","","0.71073","MoKα","","0.0516","0.0422","","","0.1172","0.1247","","","","","","1.048","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008187","14.9","0.003","15.948","0.003","17.283","0.003","94.774","0.003","107.625","0.003","111.025","0.003","3567.5","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H94 Cu2 N4 O11.25 -","- C67 H94 Cu2 N4 O11.25 -","- C134 H188 Cu4 N8 O22.5 -","2","1","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and copper(II) and use of the latter as components for the assembly of extended metallo-supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2005","","5","857","864","10.1039/b418870e","","","0.71069","MoKα","","0.1239","0.0813","","","0.2154","0.244","","","","","","1.043","","","","has coordinates,has disorder","179785","2020-10-21","18:00:00",""
"7008188","8.4084","0.0016","10.0249","0.0019","17.246","0.003","97.396","0.003","99.356","0.003","110.158","0.003","1319.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H63 Cu2 N3 O8 -","- C55 H63 Cu2 N3 O8 -","- C55 H63 Cu2 N3 O8 -","1","0.5","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and copper(II) and use of the latter as components for the assembly of extended metallo-supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2005","","5","857","864","10.1039/b418870e","","","0.71073","MoKα","","0.0492","0.0375","","","0.0959","0.1024","","","","","","1.043","","","","has coordinates,has disorder","179785","2020-10-21","18:00:00",""
"7008189","7.0109","0.0007","10.5767","0.0011","16.5539","0.0017","95.966","0.002","95.216","0.002","104.527","0.002","1173.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H64 Cu2 O10 -","- C48 H64 Cu2 O10 -","- C48 H64 Cu2 O10 -","1","0.5","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and copper(II) and use of the latter as components for the assembly of extended metallo-supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2005","","5","857","864","10.1039/b418870e","","","0.71073","MoKα","","0.0335","0.0286","","","0.0762","0.0789","","","","","","1.052","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008190","37.359","0.003","14.9784","0.001","20.4038","0.0014","90","","116.905","0.001","90","","10181.7","1.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H136 Cu4 N4 O20 -","- C104 H136 Cu4 N4 O20 -","- C416 H544 Cu16 N16 O80 -","4","0.5","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and copper(II) and use of the latter as components for the assembly of extended metallo-supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2005","","5","857","864","10.1039/b418870e","","","0.71073","MoKα","","0.0729","0.0425","","","0.1002","0.116","","","","","","1.012","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008191","17.6982","0.0015","19.0959","0.0016","20.157","0.0017","90","","111.649","0.001","90","","6331.8","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 Fe2 O13 -","- C64 H82 Fe2 O13 -","- C256 H328 Fe8 O52 -","4","1","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and copper(II) and use of the latter as components for the assembly of extended metallo-supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2005","","5","857","864","10.1039/b418870e","","","0.71073","MoKα","","0.072","0.045","","","0.1159","0.1334","","","","","","1.023","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008192","10.426","0.004","16.57","0.007","17.638","0.007","110.476","0.006","92.635","0.007","100.853","0.006","2782.8","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H72 Cu2 N4 O10 -","- C58 H72 Cu2 N4 O10 -","- C116 H144 Cu4 N8 O20 -","2","1","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and copper(II) and use of the latter as components for the assembly of extended metallo-supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2005","","5","857","864","10.1039/b418870e","","","0.71073","MoKα","","0.2228","0.1061","","","0.2716","0.336","","","","","","0.966","","","","has coordinates,has disorder","179785","2020-10-21","18:00:00",""
"7008193","9.5821","0.0003","11.9066","0.0004","12.7124","0.0005","105.859","0.002","105.38","0.002","95.207","0.002","1324.2","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Co N10 O17 -","- C16 H26 Co N10 O17 -","- C32 H52 Co2 N20 O34 -","2","1","","Mulyana, Yanyan; Kepert, Cameron J.; Lindoy, Leonard F.; Parkin, Andrew; Turner, Peter","New cobalt(II) and zinc(II) coordination frameworks incorporating a pyridyl-pyrazole ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1598","1601","10.1039/b418879a","","","0.71073","MoKα","","0.0432","0.0374","","","0.1027","0.109","","","","","","1.029","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008194","8.864","0.002","16.191","0.004","10.443","0.003","90","","114.688","0.004","90","","1361.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl2 N6 O2 Zn2 -","- C20 H24 Cl2 N6 O2 Zn2 -","- C40 H48 Cl4 N12 O4 Zn4 -","2","0.5","","Mulyana, Yanyan; Kepert, Cameron J.; Lindoy, Leonard F.; Parkin, Andrew; Turner, Peter","New cobalt(II) and zinc(II) coordination frameworks incorporating a pyridyl-pyrazole ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1598","1601","10.1039/b418879a","","","0.71073","MoKα","","0.0637","0.055","","","0.1219","0.1244","","","","","","1.168","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008195","13.0784","0.0012","11.1055","0.0009","15.9865","0.0013","90","","108.225","0.004","90","","2205.4","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Co N10 O12 -","- C16 H16 Co N10 O12 -","- C64 H64 Co4 N40 O48 -","4","0.5","","Mulyana, Yanyan; Kepert, Cameron J.; Lindoy, Leonard F.; Parkin, Andrew; Turner, Peter","New cobalt(II) and zinc(II) coordination frameworks incorporating a pyridyl-pyrazole ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1598","1601","10.1039/b418879a","","","0.71073","MoKα","","0.0564","0.0482","","","0.1306","0.1367","","","","","","1.041","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008196","9.992","0.005","11.74","0.005","12.042","0.005","79.53","0.005","71.17","0.005","89.49","0.005","1312.9","1","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H35 O P Ru -","- C33 H35 O P Ru -","- C66 H70 O2 P2 Ru2 -","2","1","","Carmichael, Duncan; Ricard, Louis; Seeboth, Nicolas; Brown, John M.; Claridge, Timothy D. W.; Odell, Barbara","Synthesis, structure and dynamics of methoxynaphthalene-substituted phospha-ruthenocenes and -ferrocenes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2173","2181","10.1039/b418926d","","","0.71069","MoKα","","0.049","0.0366","","","0.0824","0.0874","","","","","","1.057","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008197","10.492","0.001","8.013","0.001","31.164","0.001","90","","93.32","0.001","90","","2615.6","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 Fe O P -","- C32 H33 Fe O P -","- C128 H132 Fe4 O4 P4 -","4","1","","Carmichael, Duncan; Ricard, Louis; Seeboth, Nicolas; Brown, John M.; Claridge, Timothy D. W.; Odell, Barbara","Synthesis, structure and dynamics of methoxynaphthalene-substituted phospha-ruthenocenes and -ferrocenes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2173","2181","10.1039/b418926d","","","0.71069","MoKα","","0.0579","0.0426","","","0.118","0.127","","","","","","1.079","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008198","9.809","0.005","24.651","0.005","19.909","0.005","90","0.005","91.42","0.005","90","0.005","4813","3","293","1","293","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 Cl8 O P2 Pt Ru -","- C40 H51 Cl5 O P2 Pt Ru -","- C160 H204 Cl20 O4 P8 Pt4 Ru4 -","4","1","","Carmichael, Duncan; Ricard, Louis; Seeboth, Nicolas; Brown, John M.; Claridge, Timothy D. W.; Odell, Barbara","Synthesis, structure and dynamics of methoxynaphthalene-substituted phospha-ruthenocenes and -ferrocenes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2173","2181","10.1039/b418926d","","","0.71069","MoKα","","0.0753","0.0584","","","0.1573","0.1796","","","","","","1.019","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008199","15.1726","0.0001","14.1221","0.0002","30.9923","0.0001","90","","90","","90","","6640.69","0.11","158","2","158","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Cl4 Fe2 Mo O7 P2 S2 -","- C22 H30 Cl4 Fe2 Mo O7 P2 S2 -","- C176 H240 Cl32 Fe16 Mo8 O56 P16 S16 -","8","1","","Han, Jaehong; Coucouvanis, Dimitri","Synthesis and structure of the organometallic MFe2(mu3-S)2 clusters (M = Mo or Fe).","Dalton transactions (Cambridge, England : 2003)","2005","","7","1234","1240","10.1039/b419051c","","","0.71073","MoKα","","0.0384","0.0339","","","0.0754","0.0777","","","","","","1.17","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008200","9.4995","0.0004","14.0311","0.0005","16.7235","0.0006","103.617","0.001","100.95","0.001","94.649","0.001","2108.39","0.14","158","2","158","2","","","","","","","","8","P -1","-P 1","2","(Cl4-cat)Mo(O)Fe2S2(PnPR3)2(CO)4","(Cl4-cat)Mo(O)Fe2S2(PnPR3)2(CO)4","","- C31 H49 Cl4 Fe2 Mo O7 P2 S2 -","- C31 H49 Cl4 Fe2 Mo O7 P2 S2 -","- C62 H98 Cl8 Fe4 Mo2 O14 P4 S4 -","2","1","","Han, Jaehong; Coucouvanis, Dimitri","Synthesis and structure of the organometallic MFe2(mu3-S)2 clusters (M = Mo or Fe).","Dalton transactions (Cambridge, England : 2003)","2005","","7","1234","1240","10.1039/b419051c","","","0.71073","MoKα","","0.2164","0.1149","","","0.2684","0.3231","","","","","","0.941","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008201","12.0059","0.0005","16.1615","0.0006","14.0452","0.0005","90","","103.999","0.001","90","","2644.3","0.18","158","2","158","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Cl4 Fe2 Mo O8 P S2 -","- C17 H15 Cl4 Fe2 Mo O8 P S2 -","- C68 H60 Cl16 Fe8 Mo4 O32 P4 S8 -","4","1","","Han, Jaehong; Coucouvanis, Dimitri","Synthesis and structure of the organometallic MFe2(mu3-S)2 clusters (M = Mo or Fe).","Dalton transactions (Cambridge, England : 2003)","2005","","7","1234","1240","10.1039/b419051c","","","0.71073","MoKα","","0.1121","0.0704","","","0.1422","0.1602","","","","","","1.111","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7008202","12.4024","0.0003","19.8815","0.0005","22.3725","0.0007","90","","106.357","0.001","90","","5293.3","0.2","178","2","178","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","(Cl4-cat)2MoFe2S2(depe)2(CO)2","(Cl4-cat)2MoFe2S2(depe)2(CO)2","","- C41 H63 Cl8 Fe2 Mo O7 P4 S2 -","- C41 H63 Cl8 Fe2 Mo O7 P4 S2 -","- C164 H252 Cl32 Fe8 Mo4 O28 P16 S8 -","4","1","","Han, Jaehong; Coucouvanis, Dimitri","Synthesis and structure of the organometallic MFe2(mu3-S)2 clusters (M = Mo or Fe).","Dalton transactions (Cambridge, England : 2003)","2005","","7","1234","1240","10.1039/b419051c","","","0.71073","MoKα","","0.0831","0.0621","","","0.1501","0.1626","","","","","","1.056","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008203","19.1736","0.0001","11.19","0.0001","21.8237","0.0001","90","","90","","90","","4682.33","0.05","158","2","158","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43 H66 Fe3 O7 P2 S2 -","- C43 H66 Fe3 O7 P2 S2 -","- C172 H264 Fe12 O28 P8 S8 -","4","1","","Han, Jaehong; Coucouvanis, Dimitri","Synthesis and structure of the organometallic MFe2(mu3-S)2 clusters (M = Mo or Fe).","Dalton transactions (Cambridge, England : 2003)","2005","","7","1234","1240","10.1039/b419051c","","","0.71073","MoKα","","0.0747","0.0504","","","0.0767","0.0839","","","","","","0.954","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008204","8.3944","0.0004","8.7929","0.0005","19.0781","0.0012","102.409","0.003","93.915","0.003","108.264","0.004","1291.96","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 I2 N3 Nd -","- C24 H28 I2 N3 Nd -","- C48 H56 I4 N6 Nd2 -","2","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel","The distinct affinity of cyclopentadienyl ligands towards trivalent uranium over lanthanide ions. Evidence for cooperative ligation and back-bonding in the actinide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1263","1272","10.1039/b419088b","","","0.71073","MoKα","","0.0252","0.0222","","","0.0571","0.058","","","","","","1.111","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008205","20.3034","0.0003","26.7966","0.0006","16.9004","0.0003","90","","113.365","0.002","90","","8440.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 I N2 Nd -","- C28 H36 I N2 Nd -","- C336 H432 I12 N24 Nd12 -","12","3","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel","The distinct affinity of cyclopentadienyl ligands towards trivalent uranium over lanthanide ions. Evidence for cooperative ligation and back-bonding in the actinide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1263","1272","10.1039/b419088b","","","0.71073","MoKα","","0.0857","0.0627","","","0.1554","0.1618","","","","","","1.104","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008206","8.4213","0.0004","8.8376","0.0007","19.0845","0.0015","102.444","0.004","93.809","0.005","108.371","0.004","1302.39","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Ce I2 N3 -","- C24 H28 Ce I2 N3 -","- C48 H56 Ce2 I4 N6 -","2","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel","The distinct affinity of cyclopentadienyl ligands towards trivalent uranium over lanthanide ions. Evidence for cooperative ligation and back-bonding in the actinide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1263","1272","10.1039/b419088b","","","0.71073","MoKα","","0.044","0.0342","","","0.08","0.0847","","","","","","1.056","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008207","14.867","0.0003","14.867","0.0003","33.9336","0.0012","90","","90","","90","","7500.3","0.3","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C36 H52 Ce2 I2 -","- C36 H52 Ce2 I2 -","- C288 H416 Ce16 I16 -","8","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel","The distinct affinity of cyclopentadienyl ligands towards trivalent uranium over lanthanide ions. Evidence for cooperative ligation and back-bonding in the actinide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1263","1272","10.1039/b419088b","","","0.71073","MoKα","","0.0582","0.0418","","","0.0753","0.0814","","","","","","1.047","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008208","8.4495","0.0004","8.8444","0.0005","19.1107","0.001","102.588","0.003","93.636","0.003","108.458","0.003","1308.53","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 I2 La N3 -","- C24 H28 I2 La N3 -","- C48 H56 I4 La2 N6 -","2","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel","The distinct affinity of cyclopentadienyl ligands towards trivalent uranium over lanthanide ions. Evidence for cooperative ligation and back-bonding in the actinide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1263","1272","10.1039/b419088b","","","0.71073","MoKα","","0.0285","0.0254","","","0.0613","0.0626","","","","","","1.068","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008209","8.4321","0.0013","8.8209","0.0014","19.053","0.003","102.423","0.009","93.827","0.008","108.547","0.009","1298","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 I2 N3 U -","- C24 H28 I2 N3 U -","- C48 H56 I4 N6 U2 -","2","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel","The distinct affinity of cyclopentadienyl ligands towards trivalent uranium over lanthanide ions. Evidence for cooperative ligation and back-bonding in the actinide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1263","1272","10.1039/b419088b","","","0.71073","MoKα","","0.0889","0.0558","","","0.1124","0.1268","","","","","","1.059","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008210","20.3285","0.001","26.8832","0.0017","16.9576","0.0011","90","","113.45","0.003","90","","8501.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 I N2 U -","- C28 H36 I N2 U -","- C336 H432 I12 N24 U12 -","12","3","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel","The distinct affinity of cyclopentadienyl ligands towards trivalent uranium over lanthanide ions. Evidence for cooperative ligation and back-bonding in the actinide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1263","1272","10.1039/b419088b","","","0.71073","MoKα","","0.1864","0.1266","","","0.229","0.2591","","","","","","1.059","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008211","23.8784","0.0009","7.6038","0.0003","13.35","0.0006","90","","97.435","0.003","90","","2403.53","0.17","183","2","183","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C20 H12 O13 W2 -","- C20 H12 O13 W2 -","- C80 H48 O52 W8 -","4","0.5","","Crause, Chantelle; Görls, Helmar; Lotz, Simon","Binuclear biscarbene complexes of furan.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1649","1657","10.1039/b419148j","","","0.71073","MoKα","","0.0336","0.0269","","","0.0586","0.0599","","","","","","0.977","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008212","7.569","0.002","10.524","0.003","14.093","0.004","88.52","0.01","78.24","0.02","86.29","0.02","1096.6","0.5","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 Cr O9 -","- C22 H22 Cr O9 -","- C44 H44 Cr2 O18 -","2","1","","Crause, Chantelle; Görls, Helmar; Lotz, Simon","Binuclear biscarbene complexes of furan.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1649","1657","10.1039/b419148j","","","0.71073","MoKα","","0.0821","0.055","","","0.1181","0.1373","","","","","","1.106","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008213","10.9865","0.0007","11.6322","0.0009","14.8949","0.0011","71.128","0.006","87.945","0.005","73.363","0.005","1722.4","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C32.5 H27 Cl O15 W2 -","- C32.5 H24 Cl O15 W2 -","- C65 H48 Cl2 O30 W4 -","2","1","","Cross, Warren B.; Parkin, Ivan P.; White, Andrew J. P.; Williams, David J.","Synthesis and characterisation of tungsten(VI) oxo-salicylate complexes for use in the chemical vapour deposition of self-cleaning films.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1287","1293","10.1039/b419235d","","","1.54178","CuKα","","0.059","0.0453","","0.1237","0.1117","","","","1.05","1.082","1.082","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008214","17.161","0.002","20.482","0.002","25.789","0.003","98.165","0.009","98.061","0.01","91.365","0.011","8875.2","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H66 O15 W2 -","- C52 H64 O15 W2 -","- C312 H384 O90 W12 -","6","3","","Cross, Warren B.; Parkin, Ivan P.; White, Andrew J. P.; Williams, David J.","Synthesis and characterisation of tungsten(VI) oxo-salicylate complexes for use in the chemical vapour deposition of self-cleaning films.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1287","1293","10.1039/b419235d","","","1.54178","CuKα","","0.0601","0.0477","","0.1363","0.1237","","","","1.057","1.095","1.095","","","","","has coordinates,has disorder","179786","2020-10-21","18:00:00",""
"7008215","12.3643","0.0011","14.9782","0.0015","17.039","0.002","69.847","0.008","71.662","0.01","82.612","0.009","2811.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl O7 W -","- C26 H32 Cl O7 W -","- C104 H128 Cl4 O28 W4 -","4","2","","Cross, Warren B.; Parkin, Ivan P.; White, Andrew J. P.; Williams, David J.","Synthesis and characterisation of tungsten(VI) oxo-salicylate complexes for use in the chemical vapour deposition of self-cleaning films.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1287","1293","10.1039/b419235d","","","1.54178","CuKα","","0.0646","0.048","","0.1333","0.1208","","","","1.039","1.091","1.091","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008216","10.501","0.0003","10.7708","0.0003","23.1683","0.0009","90","","101.691","0.0012","90","","2566.07","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H38 B16 N2 -","- C14 H38 B16 N2 -","- C56 H152 B64 N8 -","4","1","","Bould, Jonathan; Jelínek, Tomás; Barrett, Simon A.; Coles, Simon J.; Hursthouse, Michael B.; Thornton-Pett, Mark; Stíbr, Bohumil; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. The reaction of B16H20 and B14H18 with [PtMe2(PMe2Ph)2] to give [(PMe2Ph)2PtB16H17Me] and [(PMe2Ph)2PtB14H16].","Dalton transactions (Cambridge, England : 2003)","2005","","8","1499","1503","10.1039/b419241a","","","0.71073","MoKα","","0.1527","0.0683","","","0.1414","0.1731","","","","","","0.976","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008217","10.657","0.0002","16.8137","0.0004","17.3033","0.0004","90","","102.159","0.0013","90","","3030.91","0.12","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H42 B16 P2 Pt -","- C17 H42 B16 P2 Pt -","- C68 H168 B64 P8 Pt4 -","4","1","","Bould, Jonathan; Jelínek, Tomás; Barrett, Simon A.; Coles, Simon J.; Hursthouse, Michael B.; Thornton-Pett, Mark; Stíbr, Bohumil; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. The reaction of B16H20 and B14H18 with [PtMe2(PMe2Ph)2] to give [(PMe2Ph)2PtB16H17Me] and [(PMe2Ph)2PtB14H16].","Dalton transactions (Cambridge, England : 2003)","2005","","8","1499","1503","10.1039/b419241a","","","0.71073","MoKα","","0.0382","0.032","","","0.0729","0.0757","","","","","","1.117","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008218","11.1613","0.0001","28.0289","0.0004","16.3931","0.0002","90","","97.63","0.001","90","","5082.99","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 B10 O2 P4 Pt2 -","- C32 H54 B10 O2 P4 Pt2 -","- C128 H216 B40 O8 P16 Pt8 -","4","1","","Bould, Jonathan; Kilner, Colin A.; Kennedy, John D.","The capture of dioxygen, carbon monoxide and sulfur dioxide by [(PMe2Ph)4Pt2B10H10].","Dalton transactions (Cambridge, England : 2003)","2005","","9","1574","1582","10.1039/b419243e","","","0.71073","MoKα","","0.0548","0.0435","","","0.1125","0.1166","","","","","","1.011","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008219","12.585","0.0001","24.121","0.0002","15.429","0.0002","90","","97.893","0.0004","90","","4639.3","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H57 B10 Cl3 O P4 Pt2 -","- C34.5 H57 B10 Cl3 O P4 Pt2 -","- C138 H228 B40 Cl12 O4 P16 Pt8 -","4","1","","Bould, Jonathan; Kilner, Colin A.; Kennedy, John D.","The capture of dioxygen, carbon monoxide and sulfur dioxide by [(PMe2Ph)4Pt2B10H10].","Dalton transactions (Cambridge, England : 2003)","2005","","9","1574","1582","10.1039/b419243e","","x-ray","0.71073","MoKα","","0.0508","0.0451","","","0.1187","0.1232","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008220","23.852","0.0002","10.848","0.0001","17.71","0.0001","90","","90","","90","","4582.4","0.06","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H68 B10 O2 P4 Pt2 S -","- C38 H68 B10 O2 P4 Pt2 S -","- C152 H272 B40 O8 P16 Pt8 S4 -","4","1","","Bould, Jonathan; Kilner, Colin A.; Kennedy, John D.","The capture of dioxygen, carbon monoxide and sulfur dioxide by [(PMe2Ph)4Pt2B10H10].","Dalton transactions (Cambridge, England : 2003)","2005","","9","1574","1582","10.1039/b419243e","","x-ray","0.71073","MoKα","","0.0484","0.0471","","","0.1266","0.1284","","","","","","1.033","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008221","17.164","0.002","11.3966","0.0009","20.0425","0.0015","90","","102.659","0.002","90","","3825.2","0.6","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H54 B10 P4 Pt2 -","- C32 H54 B10 P4 Pt2 -","- C128 H216 B40 P16 Pt8 -","4","0.5","","Bould, Jonathan; Kilner, Colin A.; Kennedy, John D.","The capture of dioxygen, carbon monoxide and sulfur dioxide by [(PMe2Ph)4Pt2B10H10].","Dalton transactions (Cambridge, England : 2003)","2005","","9","1574","1582","10.1039/b419243e","","","0.6933","synchrotron","","0.019","0.0181","","","0.0462","0.0466","","","","","","1.039","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008222","9.6436","0.0002","10.0096","0.0002","20.409","0.0004","90","","100.532","0.001","90","","1936.86","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 B2 F8 Hg P2 -","- C42 H42 B2 F8 Hg P2 -","- C84 H84 B4 F16 Hg2 P4 -","2","0.5","","Bowmaker, Graham A.; Assadollahzadeh, Behnam; Brodie, Andrew M.; Ainscough, Eric W.; Freeman, Graham H.; Jameson, Geoffrey B.","Structural and spectroscopic studies on mercury(II) tribenzylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1602","1612","10.1039/b419253b","","","0.71073","MoKα","","0.0189","0.0157","","","0.0394","0.0405","","","","","","1.066","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008223","27.5279","0.0001","14.5154","0.0002","19.534","0.0003","90","","97.225","0.001","90","","7743.39","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Hg N2 O6 P2 -","- C42 H42 Hg N2 O6 P2 -","- C336 H336 Hg8 N16 O48 P16 -","8","2","","Bowmaker, Graham A.; Assadollahzadeh, Behnam; Brodie, Andrew M.; Ainscough, Eric W.; Freeman, Graham H.; Jameson, Geoffrey B.","Structural and spectroscopic studies on mercury(II) tribenzylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1602","1612","10.1039/b419253b","","","0.71073","MoKα","","0.054","0.0352","","","0.0704","0.0773","","","","","","1.103","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008224","11.2708","0.0002","9.8726","0.0001","20.6739","0.0002","90","","95.492","0.001","90","","2289.87","0.05","83","2","83","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl Hg N2 O3 P -","- C23 H24 Cl Hg N2 O3 P -","- C92 H96 Cl4 Hg4 N8 O12 P4 -","4","1","","Bowmaker, Graham A.; Assadollahzadeh, Behnam; Brodie, Andrew M.; Ainscough, Eric W.; Freeman, Graham H.; Jameson, Geoffrey B.","Structural and spectroscopic studies on mercury(II) tribenzylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1602","1612","10.1039/b419253b","","","0.71073","MoKα","","0.0251","0.0235","","","0.0601","0.0609","","","","","","1.091","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008225","9.1973","0.0003","10.6534","0.0003","22.0565","0.0006","90","","90","","90","","2161.15","0.11","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br Hg N O3 P -","- C21 H21 Br Hg N O3 P -","- C84 H84 Br4 Hg4 N4 O12 P4 -","4","1","","Bowmaker, Graham A.; Assadollahzadeh, Behnam; Brodie, Andrew M.; Ainscough, Eric W.; Freeman, Graham H.; Jameson, Geoffrey B.","Structural and spectroscopic studies on mercury(II) tribenzylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1602","1612","10.1039/b419253b","","","0.71073","MoKα","","0.0356","0.0326","","","0.0747","0.0764","","","","","","1.048","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008226","9.2803","0.0002","10.58","0.0001","22.5316","0.0005","90","","90","","90","","2212.28","0.07","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Hg I N O3 P -","- C21 H21 Hg I N O3 P -","- C84 H84 Hg4 I4 N4 O12 P4 -","4","1","","Bowmaker, Graham A.; Assadollahzadeh, Behnam; Brodie, Andrew M.; Ainscough, Eric W.; Freeman, Graham H.; Jameson, Geoffrey B.","Structural and spectroscopic studies on mercury(II) tribenzylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1602","1612","10.1039/b419253b","","","0.71073","MoKα","","0.0213","0.0204","","","0.0481","0.0484","","","","","","1.039","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008227","10.4193","0.0002","10.4422","0.0002","11.5577","0.0001","109.463","0.001","105.806","0.001","99.837","0.001","1092.34","0.03","83","2","83","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H21 Hg N2 O3 P S -","- C22 H21 Hg N2 O3 P S -","- C44 H42 Hg2 N4 O6 P2 S2 -","2","1","","Bowmaker, Graham A.; Assadollahzadeh, Behnam; Brodie, Andrew M.; Ainscough, Eric W.; Freeman, Graham H.; Jameson, Geoffrey B.","Structural and spectroscopic studies on mercury(II) tribenzylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1602","1612","10.1039/b419253b","","","0.71073","MoKα","","0.0253","0.0239","","","0.0596","0.0604","","","","","","1.077","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008228","13.9822","0.00001","25.7326","0.0002","15.7875","0.00001","90","","108.794","0.0001","90","","5377.46","0.04","160","2","160","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H112 Mn2 Mo16 N24 O68 -","- C36 H72 Mn2 Mo16 N24 O68 -","- C72 H144 Mn4 Mo32 N48 O136 -","2","0.5","","Long, De-Liang; Kögerler, Paul; Farrugia, Louis J.; Cronin, Leroy","Reactions of a {Mo16}-type polyoxometalate cluster with electrophiles: a synthetic, theoretical and magnetic investigation.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1372","1380","10.1039/b419301f","","","0.71073","MoKα","","0.0486","0.0403","","","0.1095","0.1137","","","","","","1.114","","","","has coordinates,has disorder","179786","2020-10-21","18:00:00",""
"7008229","13.835","0.0006","25.742","0.0011","15.815","0.0007","90","","108.594","0.002","90","","5338.4","0.4","160","2","160","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H112 Co2 Mo16 N24 O68 -","- C36 H72 Co2 Mo16 N24 O68 -","- C72 H144 Co4 Mo32 N48 O136 -","2","0.5","","Long, De-Liang; Kögerler, Paul; Farrugia, Louis J.; Cronin, Leroy","Reactions of a {Mo16}-type polyoxometalate cluster with electrophiles: a synthetic, theoretical and magnetic investigation.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1372","1380","10.1039/b419301f","","","0.71073","MoKα","","0.0951","0.0595","","","0.1404","0.1593","","","","","","1.158","","","","has coordinates,has disorder","179786","2020-10-21","18:00:00",""
"7008230","14.5968","0.0002","18.6325","0.0003","15.3796","0.0002","90","","90","","90","","4182.86","0.1","150","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12.5 H47 Mo7 N8.5 Na2 O33 -","- C12.5 H24 Mo7 N8.5 Na2 O33 -","- C50 H96 Mo28 N34 Na8 O132 -","4","0.5","","Long, De-Liang; Kögerler, Paul; Farrugia, Louis J.; Cronin, Leroy","Reactions of a {Mo16}-type polyoxometalate cluster with electrophiles: a synthetic, theoretical and magnetic investigation.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1372","1380","10.1039/b419301f","","","0.71073","MoKα","","0.0548","0.0373","","","0.0973","0.1039","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008231","43.3614","0.0005","12.3987","0.0002","16.2413","0.0002","90","","111.425","0.001","90","","8128.3","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H48 Fe2 Mo7 N8 O35 -","- C12 H26 Fe2 Mo7 N8 O35 -","- C96 H208 Fe16 Mo56 N64 O280 -","8","1","","Long, De-Liang; Kögerler, Paul; Farrugia, Louis J.; Cronin, Leroy","Reactions of a {Mo16}-type polyoxometalate cluster with electrophiles: a synthetic, theoretical and magnetic investigation.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1372","1380","10.1039/b419301f","","","0.71073","MoKα","","0.0477","0.0447","","","0.1005","0.1015","","","","","","1.338","","","","has coordinates,has disorder","179786","2020-10-21","18:00:00",""
"7008232","43.6128","0.0004","12.4342","0.00001","16.2899","0.00001","90","","111.201","0.0003","90","","8235.97","0.08","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H48 Mn2 Mo7 N8 O35 -","- C12 H26 Mn2 Mo7 N8 O35 -","- C96 H208 Mn16 Mo56 N64 O280 -","8","1","","Long, De-Liang; Kögerler, Paul; Farrugia, Louis J.; Cronin, Leroy","Reactions of a {Mo16}-type polyoxometalate cluster with electrophiles: a synthetic, theoretical and magnetic investigation.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1372","1380","10.1039/b419301f","","","0.71073","MoKα","","0.0466","0.0454","","","0.1063","0.1067","","","","","","1.378","","","","has coordinates,has disorder","179786","2020-10-21","18:00:00",""
"7008233","8.676","0.0017","9.911","0.002","9.999","0.002","82.3","0.03","81.31","0.03","89.57","0.03","842.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 Cu N6 O5 S -","- C15 H12 Cu N6 O5 S -","- C30 H24 Cu2 N12 O10 S2 -","2","1","","Zhao, Wei; Fan, Jian; Song, You; Kawaguchi, Hiroyuki; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, crystal structures and properties of novel copper(II) complexes obtained by reactions of copper(II) sulfate pentahydrate with tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1509","1517","10.1039/b419418g","","","0.71073","MoKα","","0.0602","0.0342","","","0.0797","0.1009","","","","","","1.119","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008234","9.383","0.004","10.11","0.005","10.51","0.006","84.32","0.02","80.42","0.02","70.61","0.02","926.3","0.8","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cu N6 O6 S -","- C16 H14 Cu N6 O6 S -","- C32 H28 Cu2 N12 O12 S2 -","2","1","","Zhao, Wei; Fan, Jian; Song, You; Kawaguchi, Hiroyuki; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, crystal structures and properties of novel copper(II) complexes obtained by reactions of copper(II) sulfate pentahydrate with tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1509","1517","10.1039/b419418g","","","0.7107","MoKα","","","0.061","","","","0.19","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008235","8.01","0.005","11.542","0.004","13.09","0.005","83.533","0.017","86.67","0.03","83.22","0.03","1192.8","1","200","","200","","","","","","","","","6","P -1","-P 1","2","(Cu(3)(H2O))SO4-5.5(H2O)","","","- C17 H29 Cu N6 O10.5 S -","- C17 H18 Cu N6 O10.5 S -","- C34 H36 Cu2 N12 O21 S2 -","2","1","","Zhao, Wei; Fan, Jian; Song, You; Kawaguchi, Hiroyuki; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, crystal structures and properties of novel copper(II) complexes obtained by reactions of copper(II) sulfate pentahydrate with tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1509","1517","10.1039/b419418g","","","0.71075","MoKα","","0.0778","0.0529","","","0.1233","0.1449","","","","","","0.83","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008236","13.8429","0.0011","14.1182","0.0013","23.351","0.002","90","","90","","90","","4563.6","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H36 Cu4 I4 N4 -","- C44 H36 Cu4 I4 N4 -","- C176 H144 Cu16 I16 N16 -","4","1","","Hu, Sheng; Tong, Ming-Liang","Rational design and construction of the first tetrahedral net with photoluminescent Cu4I4 cubane cluster as the tetrahedral node.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1165","1167","10.1039/b500015g","","","0.71073","MoKα","","0.0957","0.0615","","","0.1088","0.1211","","","","","","1.013","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008237","10.3184","0.0004","10.3184","0.0004","56.833","0.003","90","","90","","120","","5240.3","0.4","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C13 H14 Cu2 I2 N2 -","- C13 H14 Cu2 I2 N2 -","- C156 H168 Cu24 I24 N24 -","12","1","","Hu, Sheng; Tong, Ming-Liang","Rational design and construction of the first tetrahedral net with photoluminescent Cu4I4 cubane cluster as the tetrahedral node.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1165","1167","10.1039/b500015g","","","0.71073","MoKα","","0.0929","0.0573","","","0.1185","0.1295","","","","","","1.099","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008238","6.9556","0.0006","11.302","0.001","10.5288","0.0009","90","","90.057","0.002","90","","827.69","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","03187","","","- C5 H4 N2 O7 U -","- C5 H4 N2 O7 U -","- C20 H16 N8 O28 U4 -","4","1","","Frisch, Mark; Cahill, Christopher L.","Syntheses, structures and fluorescent properties of two novel coordination polymers in the U-Cu-H3pdc system.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1518","1523","10.1039/b500127g","","","0.71073","MoKα","","0.0273","0.0249","","","0.059","0.06","","","","","","1.032","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008239","5.1014","0.0007","7.6067","0.0011","10.291","0.0015","72.38","0.003","86.796","0.003","84.447","0.003","378.67","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H4 Cu N4 O12 U -","- C10 H4 Cu N4 O12 U -","- C10 H4 Cu N4 O12 U -","1","0.5","","Frisch, Mark; Cahill, Christopher L.","Syntheses, structures and fluorescent properties of two novel coordination polymers in the U-Cu-H3pdc system.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1518","1523","10.1039/b500127g","","","0.71073","MoKα","","0.027","0.027","","","0.0712","0.0712","","","","","","1.09","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008240","26.015","0.0019","14.783","0.0011","13.705","0.0018","90","","91.845","0.008","90","","5267.9","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 Cl2 N10 O4.5 Ru -","- C22 H21 Cl2 N10 O4.5 Ru -","- C176 H168 Cl16 N80 O36 Ru8 -","8","1","","Patra, Srikanta; Sarkar, Biprajit; Ghumaan, Sandeep; Patil, Mahendra P.; Mobin, Shaikh M.; Sunoj, Raghavan B.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Isomeric ruthenium terpyridine complexes [Ru(trpy)(L)Cl]n+ containing the unsymmetrically bidentate acceptor L=3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine. Synthesis, structures, electrochemistry, spectroscopy and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1188","1194","10.1039/b500152h","","","0.71073","MoKα","","0.0709","0.0433","","","0.1111","0.1239","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008241","8.843","0.0012","10.629","0.0011","15.752","0.001","94.398","0.007","104.293","0.008","112.925","0.01","1296.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 Cl2 N10 O4.5 Ru -","- C22 H21 Cl2 N10 O4.5 Ru -","- C44 H42 Cl4 N20 O9 Ru2 -","2","1","","Patra, Srikanta; Sarkar, Biprajit; Ghumaan, Sandeep; Patil, Mahendra P.; Mobin, Shaikh M.; Sunoj, Raghavan B.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Isomeric ruthenium terpyridine complexes [Ru(trpy)(L)Cl]n+ containing the unsymmetrically bidentate acceptor L=3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine. Synthesis, structures, electrochemistry, spectroscopy and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1188","1194","10.1039/b500152h","","","0.71073","MoKα","","0.0786","0.0443","","","0.1066","0.1207","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008242","9.841","0.002","11.514","0.002","14.595","0.003","100.95","0.03","103.44","0.03","109.17","0.03","1454.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Fe N9 Ni O2 -","- C30 H26 Fe N9 Ni O2 -","- C60 H52 Fe2 N18 Ni2 O4 -","2","1","","Toma, Liviu; Toma, Luminita Marilena; Lescouëzec, Rodrigue; Armentano, Donatella; De Munno, Giovanni; Andruh, Marius; Cano, Joan; Lloret, Francesc; Julve, Miguel","Synthesis, crystal structures and magnetic properties of cyanide- and phenolate-bridged [M(III)NiII]2 tetranuclear complexes (M=Fe and Cr).","Dalton transactions (Cambridge, England : 2003)","2005","","8","1357","1364","10.1039/b500168b","","","0.71073","MoKα","","0.0574","0.0417","","","0.1052","0.1099","","","","","","0.928","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008243","10","0.003","11.492","0.003","14.669","0.004","101.02","0.02","103.63","0.02","109.18","0.02","1479.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Cr N9 Ni O2 -","- C30 H26 Cr N9 Ni O2 -","- C60 H52 Cr2 N18 Ni2 O4 -","2","1","","Toma, Liviu; Toma, Luminita Marilena; Lescouëzec, Rodrigue; Armentano, Donatella; De Munno, Giovanni; Andruh, Marius; Cano, Joan; Lloret, Francesc; Julve, Miguel","Synthesis, crystal structures and magnetic properties of cyanide- and phenolate-bridged [M(III)NiII]2 tetranuclear complexes (M=Fe and Cr).","Dalton transactions (Cambridge, England : 2003)","2005","","8","1357","1364","10.1039/b500168b","","","0.71073","MoKα","","0.0759","0.0548","","","0.145","0.1541","","","","","","0.977","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008244","9.407","0.002","14.364","0.004","14.709","0.004","65.655","0.004","89.823","0.004","75.98","0.004","1746.3","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 N4 O11 V3 -","- C30 H40 N4 O11 V3 -","- C60 H80 N8 O22 V6 -","2","1","","Jin, Yinshi; Lee, Hong-In; Pyo, Myoungho; Lah, Myoung Soo","A linear trinuclear mixed valence vanadium(V/IV/V) complex: synthesis, characterization, and solution behavior.","Dalton transactions (Cambridge, England : 2003)","2005","","4","797","803","10.1039/b500169m","","","0.71073","MoKα","","0.1797","0.0812","","","0.1777","0.2243","","","","","","1.031","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008245","10.1459","0.0002","17.4901","0.0004","20.997","0.0005","77.087","0.001","82.899","0.002","82.008","0.001","3579.91","0.14","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","(K(tmeda)(C11H8N))n","","","- C17 H24 K N3 -","- C17 H24 K N3 -","- C136 H192 K8 N24 -","8","4","","Bermingham, Michael J.; Cloke, F Geoffrey N; Gardiner, Michael G.; Hitchcock, Peter B.; Wise, Lauren E.; Yates, Brian F.","Structural studies of group 1 metal 4-azapentalenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1157","1158","10.1039/b500198f","","x-ray","0.71073","MoKα","","0.1079","0.0881","","","0.222","0.2407","","","","","","1.034","","","","has coordinates,has disorder","179786","2020-10-21","18:00:00",""
"7008246","17.6808","0.0002","10.2199","0.0002","12.4844","0.0004","90","","102.135","0.001","90","","2205.47","0.09","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 K N O0.5 -","- C13 H12 K N O0.5 -","- C104 H96 K8 N8 O4 -","8","1","","Bermingham, Michael J.; Cloke, F Geoffrey N; Gardiner, Michael G.; Hitchcock, Peter B.; Wise, Lauren E.; Yates, Brian F.","Structural studies of group 1 metal 4-azapentalenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1157","1158","10.1039/b500198f","","x-ray","0.71073","MoKα","","0.0921","0.0492","","","0.113","0.1323","","","","","","1.012","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008247","15.6921","0.0002","16.0207","0.0002","21.2804","0.0003","103.973","0.0007","102.032","0.0008","109.086","0.0007","4658.98","0.11","173","","173","","","","","","","","?","7","P -1","-P 1","2","","","","- C93.5 H87 Cu2 F18 N10 O9.5 P3 -","- C93.5 H87 Cu2 F18 N10 O9.5 P2.5 -","- C187 H174 Cu4 F36 N20 O19 P5 -","2","1","","Constable, Edwin C.; Figgemeier, Egbert; Hougen, Inger Annette; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Whall, Louise A.","Hairpin helicates: a missing link between double-helicates and trefoil knots.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1168","1175","10.1039/b500209E","","","0.71073","MoKα","","","0.0588","","","","0.0514","","","","","","1.1599","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008248","11.7086","0.0011","17.378","0.003","19.3791","0.0009","92.837","0.007","92.355","0.006","98.49","0.012","3890.4","0.8","173","","173","","","","","","","","?","7","P -1","-P 1","2","","","","- C80.5 H63 Cu2 F18 N10 O5.5 P3 -","- C80.5 H63 Cu2 F18 N10 O5.5 P3 -","- C161 H126 Cu4 F36 N20 O11 P6 -","2","1","","Constable, Edwin C.; Figgemeier, Egbert; Hougen, Inger Annette; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Whall, Louise A.","Hairpin helicates: a missing link between double-helicates and trefoil knots.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1168","1175","10.1039/b500209E","","","0.71073","MoKα","","","0.0618","","","","0.0674","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008249","12.394","0.007","4.032","0.004","28.9","0.016","90","","90.73","0.04","90","","1444.1","1.8","293","","293","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Constable, Edwin C.; Figgemeier, Egbert; Hougen, Inger Annette; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Whall, Louise A.","Hairpin helicates: a missing link between double-helicates and trefoil knots.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1168","1175","10.1039/b500209E","","","0.71073","MoKα","","","0.0725","","","","0.0579","","","","","","1.0558","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008250","9.5368","0.0007","13.2019","0.001","19.89","0.0016","90","","90","","90","","2504.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(I-Hydroxo)-(I-1,4,7,10,13,16-hexa-azacyclo-octadecane)-di- palladinm triperchlorate","(I-Hydroxo)-(I-1,4,7,10,13,16-hexa-azacyclo-octadecane)-di- palladinm triperchlorate","","- C12 H31 Cl3 N6 O13 Pd2 -","- C12 H31 Cl3 N6 O13 Pd2 -","- C48 H124 Cl12 N24 O52 Pd8 -","4","1","","Yang, Gaosheng; Miao, Ren; Li, Yizhi; Hong, Jing; Zhao, Chuenmei; Guo, Zijian; Zhu, Longgen","Synergic effect of two metal centers in catalytic hydrolysis of methionine-containing peptides promoted by dinuclear palladium(II) hexaazacyclooctadecane complex.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1613","1619","10.1039/b500210a","","","0.71073","MoKα","","0.0608","0.0472","","","0.1195","0.1244","","","","","","0.982","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008251","8.3107","0.0002","17.3911","0.0008","6.0139","0.0005","90","","98.425","0.005","90","","859.82","0.09","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Ag Cu N3 O -","- C5 H6 Ag Cu N3 O -","- C20 H24 Ag4 Cu4 N12 O4 -","4","1","","Paraschiv, Carmen; Andruh, Marius; Ferlay, Sylvie; Hosseini, Mir Wais; Kyritsakas, Nathalie; Planeix, Jean-Marc; Stanica, Nicolae","Alkoxo-bridged copperII complexes as nodes in designing solid-state architectures. The interplay of coordinative and d10-d10 metal-metal interactions in sustaining supramolecular solid-state architectures.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1195","1202","10.1039/b500231a","","","0.71073","Mo-Kα","","0.153","0.101","","0.246","","0.126","","","1.335","","","1.047","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008252","8.293","0.003","17.055","0.006","6.1217","0.0018","90","","98.854","0.01","90","","855.5","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Au Cu N3 O -","- C5 H6 Au Cu N3 O -","- C20 H24 Au4 Cu4 N12 O4 -","4","1","","Paraschiv, Carmen; Andruh, Marius; Ferlay, Sylvie; Hosseini, Mir Wais; Kyritsakas, Nathalie; Planeix, Jean-Marc; Stanica, Nicolae","Alkoxo-bridged copperII complexes as nodes in designing solid-state architectures. The interplay of coordinative and d10-d10 metal-metal interactions in sustaining supramolecular solid-state architectures.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1195","1202","10.1039/b500231a","","","0.71073","MoKα","","0.0613","0.0476","","","0.1257","0.1395","","","","","","1.131","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008253","16.1948","0.0008","10.2552","0.0005","17.2192","0.0009","90","","102.504","0.002","90","","2791.9","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H40 Cu2 N4 S8 -","- C80 H40 Cu2 N4 S8 -","- C160 H80 Cu4 N8 S16 -","2","0.5","","Konarev, Dmitri V.; Kovalevsky, Andrey Y.; Lopatin, Dmitri V.; Umrikhin, Alexey V.; Yudanova, Evgeniya I.; Coppens, Philip; Lyubovskaya, Rimma N.; Saito, Gunzi","Synthesis, crystal structure and photoconductivity of the first [60]fullerene complex with metal diethyldithiocarbamate: {CuII(dedtc)2}2.C60.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1821","1825","10.1039/b500314h","","","0.71073","MoKα","","0.0469","0.0404","","","0.1027","0.1064","","","","","","1.082","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008254","9.2491","0.0009","9.9016","0.001","10.0535","0.001","82.753","0.012","82.007","0.012","65.594","0.011","827.88","0.16","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H24 Cl2 F N5 O2 -","- C11 H24 Cl2 F N5 O2 -","- C22 H48 Cl4 F2 N10 O4 -","2","1","","Spingler, Bernhard; Da Pieve, Chiara","Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1637","1643","10.1039/b500317b","","","0.71073","MoKα","","0.0857","0.0581","","","0.1541","0.1824","","","","","","1.11","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008255","9.8251","0.0007","8.6399","0.0005","16.781","0.001","90","","96.343","0.008","90","","1415.78","0.16","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 F2 N5 O2 -","- C11 H21 F2 N5 O2 -","- C44 H84 F8 N20 O8 -","4","1","","Spingler, Bernhard; Da Pieve, Chiara","Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1637","1643","10.1039/b500317b","","","0.71073","MoKα","","0.0698","0.0631","","","0.1792","0.1865","","","","","","1.123","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008256","15.0078","0.0006","9.2569","0.0005","29.9742","0.0012","90","","100.063","0.005","90","","4100.1","0.3","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C15 H30 Cu F N5 O7 -","- C15 H30 Cu F N5 O7 -","- C120 H240 Cu8 F8 N40 O56 -","8","1","","Spingler, Bernhard; Da Pieve, Chiara","Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1637","1643","10.1039/b500317b","","","0.71073","MoKα","","0.0824","0.0511","","","0.1286","0.145","","","","","","0.892","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008257","10.2427","0.0005","13.4133","0.001","16.2893","0.0008","90","","100.645","0.006","90","","2199.4","0.2","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cu F N5 O7 -","- C16 H32 Cu F N5 O7 -","- C64 H128 Cu4 F4 N20 O28 -","4","1","","Spingler, Bernhard; Da Pieve, Chiara","Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1637","1643","10.1039/b500317b","","","0.71073","MoKα","","0.1004","0.0697","","","0.2052","0.2217","","","","","","1.111","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008258","15.2026","0.0008","9.1232","0.0004","30.4076","0.0014","90","","100.81","0.006","90","","4142.6","0.4","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C15 H30 F N5 O7 Zn -","- C15 H30 F N5 O7 Zn -","- C120 H240 F8 N40 O56 Zn8 -","8","1","","Spingler, Bernhard; Da Pieve, Chiara","Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1637","1643","10.1039/b500317b","","","0.71073","MoKα","","0.0616","0.0455","","","0.1258","0.1342","","","","","","1.048","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008259","8.7165","0.0005","11.8274","0.0008","14.3976","0.0008","90","","101.96","0.006","90","","1452.08","0.16","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 Cu F N5 O3 -","- C11 H22 Cu F N5 O3 -","- C44 H88 Cu4 F4 N20 O12 -","4","1","","Spingler, Bernhard; Da Pieve, Chiara","Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1637","1643","10.1039/b500317b","","","0.71073","MoKα","","0.0794","0.0528","","","0.1358","0.1546","","","","","","0.92","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008260","10.8155","0.0005","10.2095","0.0005","16.5041","0.0011","90","","90","","90","","1822.4","0.17","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H26 Cl2 F N5 O2 -","- C12 H26 Cl2 F N5 O2 -","- C48 H104 Cl8 F4 N20 O8 -","4","0.5","","Spingler, Bernhard; Da Pieve, Chiara","Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1637","1643","10.1039/b500317b","","","0.71073","MoKα","","0.0581","0.0526","","","0.1508","0.1567","","","","","","1.057","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008261","13.418","0.0014","19.446","0.002","19.676","0.002","69.91","0.002","82.041","0.002","83.781","0.002","4765","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- H99 Mo22 N11 O105.5 P2 Yb -","- Mo22 N11 O105.5 P2 Yb -","- Mo44 N22 O211 P4 Yb2 -","2","1","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.0681","0.0541","","","0.128","0.1351","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008262","37.572","0.004","12.9973","0.0013","19.6138","0.0019","90","","117.608","0.001","90","","8487.5","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Dy H78 Mo22 N11 O95 P2 -","- Dy Mo22 N11 O95 P2 -","- Dy4 Mo88 N44 O380 P8 -","4","0.5","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.0306","0.0293","","","0.0644","0.0651","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008263","13.4129","0.0011","19.4606","0.0015","19.6599","0.0015","69.936","0.001","82.004","0.001","83.767","0.001","4763.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- Er H99 Mo22 N11 O105.5 P2 -","- Er Mo22 N11 O105.5 P2 -","- Er2 Mo44 N22 O211 P4 -","2","1","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.0406","0.0353","","","0.0916","0.0944","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008264","37.656","0.005","13.0055","0.0018","19.621","0.003","90","","117.648","0.002","90","","8512","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Eu H78 Mo22 N11 O95 P2 -","- Eu Mo22 N11 O95 P2 -","- Eu4 Mo88 N44 O380 P8 -","4","0.5","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.035","0.0299","","","0.0722","0.0745","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008265","13.3434","0.0007","19.5724","0.001","19.7751","0.001","71.128","0.001","82.692","0.001","83.579","0.001","4833.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- Gd H98 Mo22 N11 O105 P2 -","- Gd Mo22 N11 O105 P2 -","- Gd2 Mo44 N22 O210 P4 -","2","1","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.0452","0.0392","","","0.0997","0.1029","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008266","13.4461","0.0007","19.5315","0.001","19.6886","0.001","70.45","0.001","82.265","0.001","83.764","0.001","4817","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- H99 Ho Mo22 N11 O105.5 P2 -","- Ho Mo22 N11 O105.5 P2 -","- Ho2 Mo44 N22 O211 P4 -","2","1","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.0614","0.0574","","","0.1509","0.1546","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008267","37.866","0.005","13.0069","0.0016","19.64","0.002","90","","118.033","0.002","90","","8538.2","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H78 La Mo22 N11 O95 P2 -","- La Mo22 N11 O95 P2 -","- La4 Mo88 N44 O380 P8 -","4","0.5","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.0463","0.0455","","","0.1159","0.1163","","","","","","1.311","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008268","37.452","0.005","13.0037","0.0018","19.61","0.003","90","","117.499","0.002","90","","8471","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H78 Lu Mo22 N11 O95 P2 -","- Lu Mo22 N11 O95 P2 -","- Lu4 Mo88 N44 O380 P8 -","4","0.5","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.0519","0.0517","","","0.1043","0.1044","","","","","","1.501","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008269","37.811","0.006","13.029","0.002","19.658","0.003","90","","117.782","0.002","90","","8568","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H78 Mo22 N11 Nd O95 P2 -","- Mo22 N11 Nd O95 P2 -","- Mo88 N44 Nd4 O380 P8 -","4","0.5","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.057","0.0546","","","0.1493","0.1502","","","","","","1.207","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008270","37.8063","0.0018","13.0001","0.0006","19.6389","0.0009","90","","117.833","0.001","90","","8535.6","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H156 Mo44 N22 O190 P4 Pr2 -","- Mo44 N22 O190 P4 Pr2 -","- Mo88 N44 O380 P8 Pr4 -","2","0.25","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.0272","0.0261","","","0.0644","0.065","","","","","","1.105","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008271","13.387","0.0015","19.456","0.002","19.724","0.002","70.422","0.002","82.04","0.002","83.836","0.002","4783.4","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- H99 Mo22 N11 O105.5 P2 Sm -","- Mo22 N11 O105.5 P2 Sm -","- Mo44 N22 O211 P4 Sm2 -","2","1","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.0706","0.0597","","","0.1296","0.1343","","","","","","1.156","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008272","37.607","0.003","13.0091","0.001","19.6271","0.0015","90","","117.639","0.001","90","","8506.5","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H156 Mo44 N22 O190 P4 Tb2 -","- Mo44 N22 O190 P4 Tb2 -","- Mo88 N44 O380 P8 Tb4 -","2","0.25","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.0386","0.0376","","","0.1002","0.101","","","","","","1.097","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008273","37.47","0.003","12.9993","0.0012","19.5938","0.0018","90","","117.515","0.001","90","","8464.3","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H78 Mo22 N11 O95 P2 Tm -","- Mo22 N11 O95 P2 Tm -","- Mo88 N44 O380 P8 Tm4 -","4","0.5","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.0289","0.0261","","","0.0667","0.0725","","","","","","1.13","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008274","37.852","0.004","13.01","0.0013","19.6483","0.0019","90","","117.841","0.001","90","","8555.9","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Ce H78 Mo22 N11 O95 P2 -","- Ce Mo22 N11 O95 P2 -","- Ce4 Mo88 N44 O380 P8 -","4","0.5","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.; Apperley, David C.","Trivalent lanthanide lacunary phosphomolybdate complexes: a structural and spectroscopic study across the series [Ln(PMo11O39)2]11-.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1256","1262","10.1039/b500408j","","","0.71073","MoKα","","0.0308","0.0289","","","0.0695","0.0705","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008275","11.1206","0.0004","15.9555","0.0006","12.6383","0.0005","90","","93.2","0.002","90","","2238.98","0.15","150","","150","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","(Zr2(mu-N-2,6-C6H3iPr2)2Cl4(THF)4)","[Zr2(mu-N-2,6-C6H3iPr2)2Cl4(THF)4]","","- C40 H66 Cl4 N2 O4 Zr2 -","- C40 H66 Cl4 N2 O4 Zr2 -","- C80 H132 Cl8 N4 O8 Zr4 -","2","0.5","","Dubberley, Stuart R.; Evans, Simon; Boyd, Catherine L.; Mountford, Philip","New and versatile routes to zirconium imido dichloride compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1448","1458","10.1039/b500507h","","","0.71073","MoKα","","","0.0644","","","","0.0487","","","","","","1.1324","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008276","12.782","0.0003","17.5806","0.0005","15.9014","0.0004","90","","90","","90","","3573.29","0.16","150","","150","","","","","","","","?","6","C m c a","-C 2ac 2","64","(Zr2(mu-N-2,6-C6H3Me2)2Cl4(THF)4)","[Zr2(mu-N-2,6-C6H3Me2)2Cl4(THF)4]","","- C32 H50 Cl4 N2 O4 Zr2 -","- C32 H50 Cl4 N2 O4 Zr2 -","- C128 H200 Cl16 N8 O16 Zr8 -","4","","","Dubberley, Stuart R.; Evans, Simon; Boyd, Catherine L.; Mountford, Philip","New and versatile routes to zirconium imido dichloride compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1448","1458","10.1039/b500507h","","","0.71073","MoKα","","","0.0243","","","","0.0258","","","","","","1.0221","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008277","10.3615","0.0002","11.762","0.0002","11.9942","0.0002","93.973","0.001","97.234","0.001","106.173","0.0008","1384.36","0.04","150","","150","","","","","","","","","8","P -1","-P 1","2","(Zr2(mu-NC6F5)2Cl6(THF)2)(Li(thf)3)2","[Zr2(mu-NC6F5)2Cl6(THF)2][Li(thf)3]2","","- C44 H64 Cl6 F10 Li2 N2 O8 Zr2 -","- C44 H64 Cl6 F10 Li2 N2 O8 Zr2 -","- C44 H64 Cl6 F10 Li2 N2 O8 Zr2 -","1","0.5","","Dubberley, Stuart R.; Evans, Simon; Boyd, Catherine L.; Mountford, Philip","New and versatile routes to zirconium imido dichloride compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1448","1458","10.1039/b500507h","","","0.71073","MoKα","","0.0435","0.035","","0.0319","0.0278","0.0278","","","","","","1.1258","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008278","21.14","0.001","9.467","0.001","17.084","0.001","90","","90","","90","","3419.1","0.4","150","","150","","","","","","","","?","6","P c a 21","P 2c -2ac","29","(Zr2(mu-N-2,6-C6H3Me2)2Cl4(NHMe2)2(THF)2)","[Zr2(mu-N-2,6-C6H3Me2)2Cl4(NHMe2)2(THF)2]","","- C28 H48 Cl4 N4 O2 Zr2 -","- C28 H48 Cl4 N4 O2 Zr2 -","- C112 H192 Cl16 N16 O8 Zr8 -","4","1","","Dubberley, Stuart R.; Evans, Simon; Boyd, Catherine L.; Mountford, Philip","New and versatile routes to zirconium imido dichloride compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1448","1458","10.1039/b500507h","","","0.71073","MoKα","","","0.0231","","","","0.0267","","","","","","1.0185","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008279","10.0181","0.0001","10.0274","0.0001","14.3986","0.0002","97.5478","0.0006","101.193","0.0006","110.736","0.0006","1295.05","0.03","150","","150","","","","","","","","?","5","P -1","-P 1","2","(ZrCl2(NHMe2)(mu-N-t-Bu)2ZrCl2(NHMe2)2)","[ZrCl2(NHMe2)(mu-N-t-Bu)2ZrCl2(NHMe2)2]","","- C14 H39 Cl4 N5 Zr2 -","- C14 H39 Cl4 N5 Zr2 -","- C28 H78 Cl8 N10 Zr4 -","2","1","","Dubberley, Stuart R.; Evans, Simon; Boyd, Catherine L.; Mountford, Philip","New and versatile routes to zirconium imido dichloride compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1448","1458","10.1039/b500507h","","","0.71073","MoKα","","","0.0194","","","","0.0093","","","","","","1.0588","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008280","12.2186","0.0001","12.4098","0.0002","12.2628","0.0002","90","","105.041","0.0007","90","","1795.71","0.04","150","","150","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","(Zr2(mu-N-2,6-C6H3Me2)2Cl4(NC5H5)4)","[Zr2(mu-N-2,6-C6H3Me2)2Cl4(NC5H5)4]","","- C36 H38 Cl4 N6 Zr2 -","- C36 H38 Cl4 N6 Zr2 -","- C72 H76 Cl8 N12 Zr4 -","2","0.5","","Dubberley, Stuart R.; Evans, Simon; Boyd, Catherine L.; Mountford, Philip","New and versatile routes to zirconium imido dichloride compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1448","1458","10.1039/b500507h","","","0.71073","MoKα","","0.0298","0.0232","","0.0276","0.0253","0.0253","","","","","","0.8226","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008281","10.7974","0.0014","12.1158","0.0016","17.545","0.002","106.729","0.002","95.92","0.002","91.912","0.002","2181.6","0.5","100","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H46.6 N8 O14.8 P3 Ru -","- C37 H33 N8 O14.8 P3 Ru -","- C74 H66 N16 O29.6 P6 Ru2 -","2","1","","Pope, Simon J. A.; Coe, Benjamin J.; Faulkner, Stephen; Laye, Rebecca H.","Metal-to-ligand charge-transfer sensitisation of near-infrared emitting lanthanides in trimetallic arrays M2Ln (M=Ru, Re or Os; Ln=Nd, Er or Yb).","Dalton transactions (Cambridge, England : 2003)","2005","","8","1482","1490","10.1039/b500849b","","","0.71073","MoKα","","0.1056","0.0829","","","0.2346","0.256","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008282","5.0564","0.0015","5.6297","0.0018","16.199","0.005","87.396","0.005","83.943","0.005","84.685","0.006","456.3","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H24 N4 O3 -","- C19 H24 N4 O3 -","- C19 H24 N4 O3 -","1","1","","Pope, Simon J. A.; Coe, Benjamin J.; Faulkner, Stephen; Laye, Rebecca H.","Metal-to-ligand charge-transfer sensitisation of near-infrared emitting lanthanides in trimetallic arrays M2Ln (M=Ru, Re or Os; Ln=Nd, Er or Yb).","Dalton transactions (Cambridge, England : 2003)","2005","","8","1482","1490","10.1039/b500849b","","","0.71073","MoKα","","0.0895","0.0716","","","0.1804","0.2006","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008283","14.299","0.004","17.537","0.002","15.437","0.002","90","","114.52","0.02","90","","3521.9","1.3","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 B10 Ru -","- C12 H26 B10 Ru -","- C96 H208 B80 Ru8 -","8","2","","Burke, Anthony; Ellis, David; Ferrer, Daniel; Ormsby, Daniel L.; Rosair, Georgina M.; Welch, Alan J.","Synthetic, spectroscopic, computational and structural studies of some 13-vertex ruthenacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1716","1721","10.1039/b500944h","","","0.71073","MoKα","","0.0342","0.0324","","","0.0841","0.0858","","","","","","1.034","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008284","17.0141","0.0013","15.6029","0.0012","26.372","0.003","90","","90","","90","","7001","1.1","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H26 B10 Ru -","- C12 H26 B10 Ru -","- C192 H416 B160 Ru16 -","16","2","","Burke, Anthony; Ellis, David; Ferrer, Daniel; Ormsby, Daniel L.; Rosair, Georgina M.; Welch, Alan J.","Synthetic, spectroscopic, computational and structural studies of some 13-vertex ruthenacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1716","1721","10.1039/b500944h","","","0.71073","MoKα","","0.04","0.034","","","0.0993","0.1051","","","","","","1.164","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008285","8.3001","0.0013","16.521","0.002","15.66","0.003","90","","98.907","0.018","90","","2121.5","0.6","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 B10 Ru -","- C20 H26 B10 Ru -","- C80 H104 B40 Ru4 -","4","1","","Burke, Anthony; Ellis, David; Ferrer, Daniel; Ormsby, Daniel L.; Rosair, Georgina M.; Welch, Alan J.","Synthetic, spectroscopic, computational and structural studies of some 13-vertex ruthenacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1716","1721","10.1039/b500944h","","","0.71073","MoKα","","0.0324","0.0264","","","0.0651","0.0681","","","","","","1.03","","","","has coordinates,has disorder","179786","2020-10-21","18:00:00",""
"7008286","12.1178","0.0014","18.2437","0.0018","23.447","0.003","90","","90","","90","","5183.5","1","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H34 B10 Ru -","- C24 H34 B10 Ru -","- C192 H272 B80 Ru8 -","8","1","","Burke, Anthony; Ellis, David; Ferrer, Daniel; Ormsby, Daniel L.; Rosair, Georgina M.; Welch, Alan J.","Synthetic, spectroscopic, computational and structural studies of some 13-vertex ruthenacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1716","1721","10.1039/b500944h","","","0.71073","MoKα","","0.0422","0.0298","","","0.0701","0.0752","","","","","","1.018","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008287","8.011","0.003","13.616","0.002","11.955","0.003","90","","107.8","0.03","90","","1241.6","0.6","160","2","160","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H34 B10 Ru -","- C24 H34 B10 Ru -","- C48 H68 B20 Ru2 -","2","1","","Burke, Anthony; Ellis, David; Ferrer, Daniel; Ormsby, Daniel L.; Rosair, Georgina M.; Welch, Alan J.","Synthetic, spectroscopic, computational and structural studies of some 13-vertex ruthenacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1716","1721","10.1039/b500944h","","","0.71073","MoKα","","0.0368","0.0331","","","0.0824","0.0842","","","","","","1.044","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008288","8.7491","0.0018","23.322","0.005","8.8016","0.0019","90","","96.995","0.004","90","","1782.6","0.7","198","1","198","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 F9 N4 Sb Ti -","- C8 H12 F9 N4 Sb Ti -","- C32 H48 F36 N16 Sb4 Ti4 -","4","1","","Decken, Andreas; Ilyin, Evgeny G.; Brooke Jenkins, H. Donald; Nikiforov, Grigori B.; Passmore, Jack","Hexafluoroantimony(V) salts of the cationic Ti(IV) fluoride non metallocene complexes [TiF3(MeCN)3]+ and [TiF2L]2+ (L = 15-Crown-5 and 18-Crown-6). Preparation, characterization and thermodynamic stability.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3039","3050","10.1039/b500993f","","","0.71073","MoKα","","0.0781","0.06","","","0.1679","0.182","","","","","","1.078","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008289","9.869","0.0005","10.4615","0.0005","11.9993","0.0006","80.108","0.001","76.847","0.001","64.519","0.001","1085.16","0.09","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 F14 O5 Sb2 Ti -","- C10 H20 F14 O5 Sb2 Ti -","- C20 H40 F28 O10 Sb4 Ti2 -","2","1","","Decken, Andreas; Ilyin, Evgeny G.; Brooke Jenkins, H. Donald; Nikiforov, Grigori B.; Passmore, Jack","Hexafluoroantimony(V) salts of the cationic Ti(IV) fluoride non metallocene complexes [TiF3(MeCN)3]+ and [TiF2L]2+ (L = 15-Crown-5 and 18-Crown-6). Preparation, characterization and thermodynamic stability.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3039","3050","10.1039/b500993f","","","0.71073","MoKα","","0.0328","0.0308","","","0.081","0.0823","","","","","","1.071","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008290","10.0613","0.0006","10.371","0.0006","12.4456","0.0007","84.098","0.001","77.82","0.001","67.257","0.001","1170.39","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 F14 O6 Sb2 Ti -","- C12 H24 F14 O6 Sb2 Ti -","- C24 H48 F28 O12 Sb4 Ti2 -","2","1","","Decken, Andreas; Ilyin, Evgeny G.; Brooke Jenkins, H. Donald; Nikiforov, Grigori B.; Passmore, Jack","Hexafluoroantimony(V) salts of the cationic Ti(IV) fluoride non metallocene complexes [TiF3(MeCN)3]+ and [TiF2L]2+ (L = 15-Crown-5 and 18-Crown-6). Preparation, characterization and thermodynamic stability.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3039","3050","10.1039/b500993f","","","0.71073","MoKα","","0.028","0.0263","","","0.0694","0.0701","","","","","","1.104","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008291","12.2313","0.0008","14.3158","0.0012","19.2117","0.0014","90","","104.369","0.008","90","","3258.8","0.4","160","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Mn O2 P -","- C42 H34 Mn O2 P -","- C168 H136 Mn4 O8 P4 -","4","1","","Ortin, Yannick; Lugan, Noêl; Mathieu, René","Subtle reactivity patterns of non-heteroatom-substituted manganese alkynyl carbene complexes in the presence of phosphorus probes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1620","1636","10.1039/b501008j","","","0.71073","MoKα","","0.0686","0.0381","","","0.0797","0.0892","","","","","","0.923","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008292","10.749","0.005","11.05","0.005","13.349","0.005","74.299","0.005","83.501","0.005","71.477","0.005","1446.7","1.1","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H40 Mn O2 P -","- C35 H40 Mn O2 P -","- C70 H80 Mn2 O4 P2 -","2","1","","Ortin, Yannick; Lugan, Noêl; Mathieu, René","Subtle reactivity patterns of non-heteroatom-substituted manganese alkynyl carbene complexes in the presence of phosphorus probes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1620","1636","10.1039/b501008j","","","0.71069","MoKα","","0.047","0.0304","","","0.066","0.0702","","","","","","0.941","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008293","8.9056","0.0007","27.574","0.002","13.2761","0.0011","90","","100.188","0.01","90","","3208.7","0.4","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B Mn O2 -","- C40 H34 B Mn O2 -","- C160 H136 B4 Mn4 O8 -","4","1","","Ortin, Yannick; Lugan, Noêl; Mathieu, René","Subtle reactivity patterns of non-heteroatom-substituted manganese alkynyl carbene complexes in the presence of phosphorus probes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1620","1636","10.1039/b501008j","","","0.71073","MoKα","","0.0732","0.0471","","","0.1167","0.1298","","","","","","1.028","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008294","9.2496","0.0012","9.6772","0.0012","10.7107","0.0014","90.284","0.015","104.051","0.015","91.083","0.015","929.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 Mn O2 -","- C24 H19 Mn O2 -","- C48 H38 Mn2 O4 -","2","1","","Ortin, Yannick; Lugan, Noêl; Mathieu, René","Subtle reactivity patterns of non-heteroatom-substituted manganese alkynyl carbene complexes in the presence of phosphorus probes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1620","1636","10.1039/b501008j","","","0.71073","MoKα","","0.0363","0.0348","","","0.094","0.0991","","","","","","1.067","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008295","9.625","0.002","20.583","0.009","14.798","0.003","90","","95.87","0.03","90","","2916.3","1.5","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Mn O2 P -","- C36 H30 Mn O2 P -","- C144 H120 Mn4 O8 P4 -","4","1","","Ortin, Yannick; Lugan, Noêl; Mathieu, René","Subtle reactivity patterns of non-heteroatom-substituted manganese alkynyl carbene complexes in the presence of phosphorus probes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1620","1636","10.1039/b501008j","","","0.71073","MoKα","","0.0355","0.0307","","","0.0801","0.0833","","","","","","1.024","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008296","11.2384","0.0004","9.0653","0.0004","14.5734","0.0006","90","","97.253","0.003","90","","1472.85","0.1","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 N2 O3 Re -","- C12 H21 N2 O3 Re -","- C48 H84 N8 O12 Re4 -","4","1","","Mosch-Zanetti, Nadia C; Sachse, Anna; Pfoh, Roland; Vidovic, Denis; Magull, Jorg","Rhenium oxo compounds containing eta2-pyrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2124","2129","10.1039/b501025j","","","0.71073","MoKα","","0.0168","0.016","","","0.0388","0.0393","","","","","","1.049","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008297","9.7531","0.0004","10.1836","0.0005","15.4082","0.0006","90","","103.657","0.003","90","","1487.1","0.11","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H21 N2 O4 Re -","- C11 H21 N2 O4 Re -","- C44 H84 N8 O16 Re4 -","4","1","","Mosch-Zanetti, Nadia C; Sachse, Anna; Pfoh, Roland; Vidovic, Denis; Magull, Jorg","Rhenium oxo compounds containing eta2-pyrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2124","2129","10.1039/b501025j","","","0.71073","MoKα","","0.0146","0.0139","","","0.0318","0.0321","","","","","","1.093","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008298","16.831","0.003","9.6159","0.0019","23.936","0.005","90","","109.52","0.03","90","","3651.3","1.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N2 O4 Re -","- C15 H27 N2 O4 Re -","- C120 H216 N16 O32 Re8 -","8","2","","Mosch-Zanetti, Nadia C; Sachse, Anna; Pfoh, Roland; Vidovic, Denis; Magull, Jorg","Rhenium oxo compounds containing eta2-pyrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2124","2129","10.1039/b501025j","","","0.71073","MoKα","","0.0437","0.03","","","0.065","0.0707","","","","","","0.952","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008299","8.268","0.002","10.003","0.002","17.156","0.004","80.524","0.005","81.164","0.005","72.404","0.005","1325.9","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H32 Cu N6 O16 Pt S -","- C12 H16 Cu N6 O16 Pt S -","- C24 H32 Cu2 N12 O32 Pt2 S2 -","2","1","","Mulcahy, Clodagh; Dolgushin, Fedor M.; Krot, Krystyna A.; Griffith, Darren; Marmion, Celine J.","Synthesis, characterisation and speciation studies of heterobimetallic pyridinehydroxamate-bridged Pt(II)/M(II) complexes (M = Cu, Ni, Zn). Crystal structure of a novel heterobimetallic 3-pyridinehydroxamate-bridged Pt(II)/Cu(II) wave-like coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1993","1998","10.1039/b501105a","","","0.71073","MoKα","","0.1402","0.0737","","","0.1517","0.1736","","","","","","1.007","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008300","5.2541","0.0006","8.254","0.0007","13.7846","0.0012","90","","99.008","0.008","90","","590.43","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mn O3 Se -","- Mn O3 Se -","- Mn8 O24 Se8 -","8","2","","Larrañaga, Aitor; Mesa, José L; Pizarro, José L; Lezama, L.; Chapman, Jon P.; Arriortua, María I; Rojo, Teófilo","Supercritical hydrothermal synthesis, thermal, spectroscopic and magnetic studies of two new polymorphs of Mn(SeO3).","Dalton transactions (Cambridge, England : 2003)","2005","","9","1727","1733","10.1039/b501190f","","","0.71073","MoKα","","0.0314","0.0294","","","0.0583","0.0591","","","","","","1.248","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008301","8.0329","0.0006","8.33","0.0006","10.4662","0.0013","90","","124.971","0.007","90","","573.88","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mn O3 Se -","- Mn O3 Se -","- Mn8 O24 Se8 -","8","2","","Larrañaga, Aitor; Mesa, José L; Pizarro, José L; Lezama, L.; Chapman, Jon P.; Arriortua, María I; Rojo, Teófilo","Supercritical hydrothermal synthesis, thermal, spectroscopic and magnetic studies of two new polymorphs of Mn(SeO3).","Dalton transactions (Cambridge, England : 2003)","2005","","9","1727","1733","10.1039/b501190f","","","0.71073","MoKα","","0.0305","0.0219","","","0.0477","0.0498","","","","","","1.074","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008302","14.056","0.004","9.356","0.003","19.162","0.005","90","","109.806","0.006","90","","2370.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Ag O2 P S -","- C27 H22 Ag O2 P S -","- C108 H88 Ag4 O8 P4 S4 -","4","1","","Barreiro, Elena; Casas, José S; Couce, Maria D.; Sánchez, Agustín; Sordo, José; Varela, José M; Vázquez-López, Ezequiel M","New structural features in triphenylphosphinesilver(I) sulfanylcarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1707","1715","10.1039/b501309g","","","0.71073","MoKα","","0.3461","0.0498","","","0.0633","0.1041","","","","","","0.671","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008303","11.7866","0.001","13.2797","0.0012","14.8441","0.0013","113.369","0.002","104.383","0.002","96.518","0.002","2006.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H35 Ag2 Cl O2 P2 S -","- C45 H35 Ag2 Cl O2 P2 S -","- C90 H70 Ag4 Cl2 O4 P4 S2 -","2","1","","Barreiro, Elena; Casas, José S; Couce, Maria D.; Sánchez, Agustín; Sordo, José; Varela, José M; Vázquez-López, Ezequiel M","New structural features in triphenylphosphinesilver(I) sulfanylcarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1707","1715","10.1039/b501309g","","","0.71073","MoKα","","0.1285","0.0486","","","0.0701","0.0853","","","","","","0.778","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008304","13.4962","0.0009","17.1129","0.0011","18.64","0.0011","90","","107.174","0.001","90","","4113.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 Ag2 O3 P2 S -","- C46 H38 Ag2 O3 P2 S -","- C184 H152 Ag8 O12 P8 S4 -","4","1","","Barreiro, Elena; Casas, José S; Couce, Maria D.; Sánchez, Agustín; Sordo, José; Varela, José M; Vázquez-López, Ezequiel M","New structural features in triphenylphosphinesilver(I) sulfanylcarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1707","1715","10.1039/b501309g","","","0.71073","MoKα","","0.1714","0.0414","","","0.0767","0.0993","","","","","","0.69","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008305","12.6832","0.0013","13.5698","0.0014","15.7147","0.0017","107.707","0.002","98.165","0.002","113.46","0.002","2253.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H43 Ag2 O4 P2 S -","- C46 H38 Ag2 O3 P2 S -","- C92 H76 Ag4 O6 P4 S2 -","2","1","","Barreiro, Elena; Casas, José S; Couce, Maria D.; Sánchez, Agustín; Sordo, José; Varela, José M; Vázquez-López, Ezequiel M","New structural features in triphenylphosphinesilver(I) sulfanylcarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1707","1715","10.1039/b501309g","","","0.71073","MoKα","","0.1257","0.0518","","","0.1058","0.1198","","","","","","0.746","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008306","15.7725","0.0009","17.2472","0.001","17.4361","0.0009","90","","116.015","0.001","90","","4262.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Ag2 Br2 O3 P2 S -","- C45 H34 Ag2 Br2 O3 P2 S -","- C180 H136 Ag8 Br8 O12 P8 S4 -","4","1","","Barreiro, Elena; Casas, José S; Couce, Maria D.; Sánchez, Agustín; Sordo, José; Varela, José M; Vázquez-López, Ezequiel M","New structural features in triphenylphosphinesilver(I) sulfanylcarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1707","1715","10.1039/b501309g","","","0.71073","MoKα","","0.1341","0.0359","","","0.0469","0.0572","","","","","","0.708","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008307","17.5325","0.0012","13.1244","0.0009","18.6677","0.0012","90","","100.068","0.001","90","","4229.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Ag2 O4 P2 S -","- C43 H34 Ag2 O3 P2 S -","- C172 H136 Ag8 O12 P8 S4 -","4","1","","Barreiro, Elena; Casas, José S; Couce, Maria D.; Sánchez, Agustín; Sordo, José; Varela, José M; Vázquez-López, Ezequiel M","New structural features in triphenylphosphinesilver(I) sulfanylcarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1707","1715","10.1039/b501309g","","","0.71073","MoKα","","0.1552","0.0411","","","0.0755","0.0901","","","","","","0.701","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008308","12.2174","0.0016","20.525","0.003","20.943","0.003","90","","95.79","0.003","90","","5224.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H50 Ag O3 P3 S -","- C61 H50 Ag O3 P3 S -","- C244 H200 Ag4 O12 P12 S4 -","4","1","","Barreiro, Elena; Casas, José S; Couce, Maria D.; Sánchez, Agustín; Sordo, José; Varela, José M; Vázquez-López, Ezequiel M","New structural features in triphenylphosphinesilver(I) sulfanylcarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1707","1715","10.1039/b501309g","","","0.71073","MoKα","","0.1029","0.0554","","","0.088","0.0996","","","","","","1.045","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008309","10.134","0.002","13.179","0.003","14.581","0.002","85.2","0.016","88.63","0.015","72.88","0.018","1854.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 N2 O11 S4 V -","- C28 H48 N2 O11 S4 V -","- C56 H96 N4 O22 S8 V2 -","2","1","","Kim, Kwan Mook; Lee, Dongwon; Seo, Mi Sook; Park, Hyunjung; Song, Rita; Jun, Moo-Jin; Nam, Wonwoo","Tuning the intermolecular dative interactions by altering the ligand planarity and counter cations in vanadyl(IV) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1567","1569","10.1039/b501350j","","","0.71073","MoKα","","0.102","0.092","","","0.237","0.2475","","","","","","1.128","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008310","27.781","0.006","4.132","0.0008","22.063","0.004","90","","116.68","0.02","90","","2263","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 K2 O13 S4 V -","- C12 H8 K2 O13 S4 V -","- C48 H32 K8 O52 S16 V4 -","4","0.5","","Kim, Kwan Mook; Lee, Dongwon; Seo, Mi Sook; Park, Hyunjung; Song, Rita; Jun, Moo-Jin; Nam, Wonwoo","Tuning the intermolecular dative interactions by altering the ligand planarity and counter cations in vanadyl(IV) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1567","1569","10.1039/b501350j","","","0.71073","MoKα","","0.0523","0.0451","","","0.1029","0.1067","","","","","","1.135","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008311","7.2415","0.0019","8.8575","0.0016","13.519","0.002","104.58","0.014","90.401","0.017","95.754","0.018","834.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Co K2 O12 S4 -","- C20 H32 Co K2 O12 S4 -","- C20 H32 Co K2 O12 S4 -","1","0.5","","Kim, Kwan Mook; Lee, Dongwon; Seo, Mi Sook; Park, Hyunjung; Song, Rita; Jun, Moo-Jin; Nam, Wonwoo","Tuning the intermolecular dative interactions by altering the ligand planarity and counter cations in vanadyl(IV) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1567","1569","10.1039/b501350j","","","0.71073","MoKα","","0.1437","0.0519","","","0.1131","0.1367","","","","","","1.01","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008312","13.3838","0.0007","21.7325","0.0014","26.2802","0.0017","90","","90","","90","","7643.9","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C78 H72 Ag2 Cl4 P6 S4 -","- C78 H72 Ag2 Cl4 P6 S4 -","- C312 H288 Ag8 Cl16 P24 S16 -","4","0.5","","Shafaei-Fallah, Maryam; Anson, Christopher E.; Fenske, Dieter; Rothenberger, Alexander","Functionalised trimethylsilyl reagents in cluster synthesis: reactions of Ph2P(S)SSiMe3 with group 11 salts.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2300","2304","10.1039/b501360g","","","0.71073","MoKα","","0.1235","0.0656","","","0.1243","0.1438","","","","","","1.006","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008313","11.989","0.003","13.981","0.004","27.467","0.008","96.05","0.02","100.8","0.02","109.33","0.02","4197","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80.5 H77 Ag2 Cl9 P6 S4 -","- C80.5 H77 Ag2 Cl9 P6 S4 -","- C161 H154 Ag4 Cl18 P12 S8 -","2","1","","Shafaei-Fallah, Maryam; Anson, Christopher E.; Fenske, Dieter; Rothenberger, Alexander","Functionalised trimethylsilyl reagents in cluster synthesis: reactions of Ph2P(S)SSiMe3 with group 11 salts.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2300","2304","10.1039/b501360g","","","0.71073","MoKα","","0.1415","0.1033","","","0.2688","0.2943","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008314","13.0485","0.0004","18.3371","0.0007","24.3232","0.0009","99.433","0.003","92.912","0.003","108.337","0.003","5417","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H106 Ag4 F3 O6 P7 S6 -","- C104 H102 Ag4 F3 O6 P7 S6 -","- C208 H204 Ag8 F6 O12 P14 S12 -","2","1","","Shafaei-Fallah, Maryam; Anson, Christopher E.; Fenske, Dieter; Rothenberger, Alexander","Functionalised trimethylsilyl reagents in cluster synthesis: reactions of Ph2P(S)SSiMe3 with group 11 salts.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2300","2304","10.1039/b501360g","","","0.71073","MoKα","","0.0962","0.065","","","0.171","0.1892","","","","","","0.979","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008315","14.5801","0.0008","25.5104","0.001","29.2566","0.0003","80.152","0.003","89.249","0.004","81.269","0.004","10596.3","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C192 H160 Ag20 P16 S34 -","- C192 H160 Ag20 P16 S34 -","- C384 H320 Ag40 P32 S68 -","2","1","","Shafaei-Fallah, Maryam; Anson, Christopher E.; Fenske, Dieter; Rothenberger, Alexander","Functionalised trimethylsilyl reagents in cluster synthesis: reactions of Ph2P(S)SSiMe3 with group 11 salts.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2300","2304","10.1039/b501360g","","","0.71073","MoKα","","0.1742","0.0756","","","0.1334","0.1573","","","","","","0.964","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008316","29.874","0.005","33.135","0.006","37.402","0.005","90","","110.237","0.012","90","","34738","10","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C323 H314 Cu48 O2 P18 S24 -","- C323 H314 Cu48 O2 P18 S24 -","- C1292 H1256 Cu192 O8 P72 S96 -","4","0.5","","Shafaei-Fallah, Maryam; Anson, Christopher E.; Fenske, Dieter; Rothenberger, Alexander","Functionalised trimethylsilyl reagents in cluster synthesis: reactions of Ph2P(S)SSiMe3 with group 11 salts.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2300","2304","10.1039/b501360g","","","0.71073","MoKα","","0.1042","0.0616","","","0.1559","0.1789","","","","","","1.037","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008317","23.766","0.0011","26.1434","0.0012","26.7645","0.0012","90","","110.844","0.001","90","","15541.1","1.2","138","2","138","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C153.75 H204 Cl8 N8 O2 Sm4 -","- C153.75 H199 Cl8 N8 O2 Sm4 -","- C615 H796 Cl32 N32 O8 Sm16 -","4","1","","Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Oliver, Allen G.; Arnold, John","Synthesis and characterization of mono beta-diketiminatosamarium amides and hydrocarbyls.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1387","1393","10.1039/b501437a","","","0.71073","MoKα","","0.1308","0.0615","","","0.1556","0.1748","","","","","","0.988","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008318","17.208","0.003","18.256","0.004","13.022","0.003","90","","103.74","0.03","90","","3973.8","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 Cl N3 Si2 Sm -","- C35 H59 Cl N3 Si2 Sm -","- C140 H236 Cl4 N12 Si8 Sm4 -","4","1","","Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Oliver, Allen G.; Arnold, John","Synthesis and characterization of mono beta-diketiminatosamarium amides and hydrocarbyls.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1387","1393","10.1039/b501437a","","","0.71073","MoKα","","0.0408","0.031","","","0.0744","0.0776","","","","","","0.979","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008319","11.686","0.002","11.708","0.002","20.51","0.004","75.55","0.03","79.49","0.03","68.51","0.03","2515.6","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H79 N4 Si4 Sm -","- C44.5 H77 N4 Si4 Sm -","- C89 H154 N8 Si8 Sm2 -","2","1","","Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Oliver, Allen G.; Arnold, John","Synthesis and characterization of mono beta-diketiminatosamarium amides and hydrocarbyls.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1387","1393","10.1039/b501437a","","","0.71073","MoKα","","0.0492","0.0417","","","0.1049","0.1083","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008320","10.6492","0.0004","12.0177","0.0005","15.7839","0.0006","104.152","0.001","97.11","","106.841","0.001","1833.02","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 Cl N2 Sm -","- C39 H56 Cl N2 Sm -","- C78 H112 Cl2 N4 Sm2 -","2","1","","Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Oliver, Allen G.; Arnold, John","Synthesis and characterization of mono beta-diketiminatosamarium amides and hydrocarbyls.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1387","1393","10.1039/b501437a","","","0.71073","MoKα","","0.0361","0.0332","","","0.0859","0.088","","","","","","1.044","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008321","16.073","0.0003","28.2943","0.0003","34.5779","0.0006","90","","99.443","0.001","90","","15512.1","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C155.5 H236 Al2 Cl6 N8 Sm4 -","- C155.5 H220 Al2 Cl6 N8 Sm4 -","- C622 H880 Al8 Cl24 N32 Sm16 -","4","1","","Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Oliver, Allen G.; Arnold, John","Synthesis and characterization of mono beta-diketiminatosamarium amides and hydrocarbyls.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1387","1393","10.1039/b501437a","","","0.71073","MoKα","","0.0829","0.041","","","0.0801","0.0895","","","","","","0.932","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008322","16.573","0.003","22.284","0.005","12.794","0.003","90","","90","","90","","4725","1.8","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C49 H75 N2 Si Sm -","- C49 H75 N2 Si Sm -","- C196 H300 N8 Si4 Sm4 -","4","0.5","","Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Oliver, Allen G.; Arnold, John","Synthesis and characterization of mono beta-diketiminatosamarium amides and hydrocarbyls.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1387","1393","10.1039/b501437a","","","0.71073","MoKα","","0.0602","0.0379","","","0.0901","0.0997","","","","","","1.02","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008323","25.2973","0.0006","13.4722","0.0004","39.0529","0.0009","90","","100.463","0.001","90","","13088.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Nacnac)Sm(NHAr)2","","","- C69 H100.75 N4 Sm -","- C69 H100.75 N4 Sm -","- C552 H806 N32 Sm8 -","8","2","","Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Oliver, Allen G.; Arnold, John","Synthesis and characterization of mono beta-diketiminatosamarium amides and hydrocarbyls.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1387","1393","10.1039/b501437a","","","0.71073","MoKα","","0.1163","0.0561","","","0.1162","0.1374","","","","","","1","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008324","9.0032","0.0003","17.2303","0.0006","10.5024","0.0004","90","","94.658","0.001","90","","1623.83","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Mg2 N2 -","- C36 H46 Mg2 N2 -","- C72 H92 Mg4 N4 -","2","0.5","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Weatherstone, Susan","Synthesis and characterisation of a series of alkylmagnesium amide and related oxygen-contaminated ""alkoxy"" compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1532","1544","10.1039/b501502b","","","0.71073","MoKα","","0.0609","0.0396","","","0.0885","0.0974","","","","","","1.018","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008325","10.389","0.001","12.712","0.001","18.645","0.001","90","","98.167","0.001","90","","2437.4","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Mg2 N2 -","- C20 H46 Mg2 N2 -","- C80 H184 Mg8 N8 -","4","1","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Weatherstone, Susan","Synthesis and characterisation of a series of alkylmagnesium amide and related oxygen-contaminated ""alkoxy"" compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1532","1544","10.1039/b501502b","","","0.71073","MoKα","","0.0576","0.0454","","","0.1165","0.1246","","","","","","1.038","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008326","17.0678","0.0002","16.6597","0.0002","21.6558","0.0004","90","","90","","90","","6157.71","0.15","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H54 Mg2 N2 Si4 -","- C20 H54 Mg2 N2 Si4 -","- C160 H432 Mg16 N16 Si32 -","8","1","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Weatherstone, Susan","Synthesis and characterisation of a series of alkylmagnesium amide and related oxygen-contaminated ""alkoxy"" compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1532","1544","10.1039/b501502b","","","0.71073","MoKα","","0.1003","0.0475","","","0.1013","0.1158","","","","","","1.037","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008327","10.8336","0.0006","15.9434","0.001","16.5771","0.0007","90","","104.499","0.003","90","","2772.1","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H54 Mg2 N2 -","- C26 H54 Mg2 N2 -","- C104 H216 Mg8 N8 -","4","2","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Weatherstone, Susan","Synthesis and characterisation of a series of alkylmagnesium amide and related oxygen-contaminated ""alkoxy"" compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1532","1544","10.1039/b501502b","","","0.71073","MoKα","","0.1579","0.0864","","","0.2188","0.2672","","","","","","1.005","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008328","10.3187","0.0005","14.8283","0.0007","15.8086","0.0008","90","","103.423","0.002","90","","2352.8","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H43 Mg N3 -","- C22 H43 Mg N3 -","- C88 H172 Mg4 N12 -","4","1","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Weatherstone, Susan","Synthesis and characterisation of a series of alkylmagnesium amide and related oxygen-contaminated ""alkoxy"" compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1532","1544","10.1039/b501502b","","","0.71073","MoKα","","0.0825","0.0568","","","0.1392","0.1588","","","","","","1.058","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008329","9.0535","0.0004","9.8832","0.0005","16.1712","0.0011","90","","90.008","0.002","90","","1446.96","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 Mg2 O4 -","- C24 H52 Mg2 O4 -","- C48 H104 Mg4 O8 -","2","0.5","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Weatherstone, Susan","Synthesis and characterisation of a series of alkylmagnesium amide and related oxygen-contaminated ""alkoxy"" compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1532","1544","10.1039/b501502b","","","0.71073","MoKα","","0.0838","0.0563","","","0.1045","0.1157","","","","","","1.057","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008330","8.4082","0.0003","17.7723","0.0007","19.7366","0.0008","90","","90","","90","","2949.3","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H54 Mg2 N2 O -","- C26 H54 Mg2 N2 O -","- C104 H216 Mg8 N8 O4 -","4","1","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Weatherstone, Susan","Synthesis and characterisation of a series of alkylmagnesium amide and related oxygen-contaminated ""alkoxy"" compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1532","1544","10.1039/b501502b","","","0.71073","MoKα","","0.0743","0.051","","","0.1129","0.1256","","","","","","1.046","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008331","9.8477","0.0005","10.6259","0.0004","30.8554","0.0014","80.986","0.002","87.056","0.002","89.315","0.002","3184.6","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H74 Mg2 N2 O4 Si4 -","- C28 H74 Mg2 N2 O4 Si4 -","- C84 H222 Mg6 N6 O12 Si12 -","3","1.5","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Weatherstone, Susan","Synthesis and characterisation of a series of alkylmagnesium amide and related oxygen-contaminated ""alkoxy"" compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1532","1544","10.1039/b501502b","","","0.71073","MoKα","","0.1389","0.0518","","","0.1018","0.1258","","","","","","0.928","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008332","10.1176","0.0017","23.255","0.003","11.7106","0.0018","90","","102.125","0.014","90","","2693.9","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 B2 Cl6 F8 N6 Zn -","- C50 H56 B2 Cl6 F8 N6 Zn -","- C100 H112 B4 Cl12 F16 N12 Zn2 -","2","0.5","","Köhn, Randolf D; Pan, Zhida; Haufe, Matthias; Kociok-Köhn, Gabriele","Bis(triazacyclohexane) sandwich complexes of (Cu(I))(2), Cu(II) and Zn(II): complexes with cuprophilic attraction between two cationic copper(I) leading to unusual reactivity with dioxygen.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2793","2797","10.1039/b501705j","","","0.71073","MoKα","","0.0556","0.0556","","","0.1472","0.1472","","","","","","1.042","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008333","14.204","0.0008","9.986","0.0007","19.639","0.0015","90","","108.89","0.04","90","","2635.6","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 B2 Cl4 Cu F14 N6 -","- C50 H52 B2 Cl4 Cu F14 N6 -","- C100 H104 B4 Cl8 Cu2 F28 N12 -","2","0.5","","Köhn, Randolf D; Pan, Zhida; Haufe, Matthias; Kociok-Köhn, Gabriele","Bis(triazacyclohexane) sandwich complexes of (Cu(I))(2), Cu(II) and Zn(II): complexes with cuprophilic attraction between two cationic copper(I) leading to unusual reactivity with dioxygen.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2793","2797","10.1039/b501705j","","","0.71073","MoKα","","0.2319","0.096","","","0.2197","0.265","","","","","","0.942","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008334","11.395","0.0003","11.428","0.0003","12.231","0.0004","87.916","0.001","74.597","0.001","71.456","0.002","1453.79","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H62 B2 Cl8 Cu2 F8 N6 -","- C52 H62 B2 Cl8 Cu2 F8 N6 -","- C52 H62 B2 Cl8 Cu2 F8 N6 -","1","0.5","","Köhn, Randolf D; Pan, Zhida; Haufe, Matthias; Kociok-Köhn, Gabriele","Bis(triazacyclohexane) sandwich complexes of (Cu(I))(2), Cu(II) and Zn(II): complexes with cuprophilic attraction between two cationic copper(I) leading to unusual reactivity with dioxygen.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2793","2797","10.1039/b501705j","","","0.71073","MoKα","","0.0654","0.0458","","","0.1052","0.1164","","","","","","1.053","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008335","10.262","0.0002","10.652","0.0002","14.212","0.0004","69.395","0.001","71.443","0.001","64.554","0.001","1287.18","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H50 B2 Cl2 Cu2 F14 N6 -","- C49 H50 B2 Cl2 Cu2 F14 N6 -","- C49 H50 B2 Cl2 Cu2 F14 N6 -","1","0.5","","Köhn, Randolf D; Pan, Zhida; Haufe, Matthias; Kociok-Köhn, Gabriele","Bis(triazacyclohexane) sandwich complexes of (Cu(I))(2), Cu(II) and Zn(II): complexes with cuprophilic attraction between two cationic copper(I) leading to unusual reactivity with dioxygen.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2793","2797","10.1039/b501705j","","","0.71073","MoKα","","0.0545","0.0458","","","0.1181","0.1259","","","","","","1.062","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008336","14.173","0.003","10.024","0.003","19.624","0.003","90","","109.28","0.03","90","","2631.6","1.2","186","2","186","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 B2 Cl4 F14 N6 Zn -","- C50 H52 B2 Cl4 F14 N6 Zn -","- C100 H104 B4 Cl8 F28 N12 Zn2 -","2","0.5","","Köhn, Randolf D; Pan, Zhida; Haufe, Matthias; Kociok-Köhn, Gabriele","Bis(triazacyclohexane) sandwich complexes of (Cu(I))(2), Cu(II) and Zn(II): complexes with cuprophilic attraction between two cationic copper(I) leading to unusual reactivity with dioxygen.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2793","2797","10.1039/b501705j","","","0.71069","MoKα","","0.1949","0.073","","","0.0913","0.1199","","","","","","1.02","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008337","17.724","0.004","7.3594","0.0015","18.14","0.004","90","","90","","90","","2366.1","0.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 H13 Cu O10.5 -","- C6 H3 Cu O10.5 -","- C48 H24 Cu8 O84 -","8","1","","Wang, Ming-Sheng; Guo, Guo-Cong; Fu, Ming-Lai; Xu, Ling; Cai, Li-Zhen; Huang, Jin-Shun","Self-assembly of copper(ii) complexes with ladder, bi-rack, rack‒ladder‒rack and layer structures by the directional-bonding approach using a T-shaped ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2899","2907","10.1039/b501782c","","","0.71073","MoKα","","0.1434","0.0695","","","0.1555","0.1995","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008338","8.868","0.002","9.344","0.002","10.907","0.002","80.08","0.03","67.62","0.03","74.18","0.03","801.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H16 Cu N2 O9 -","- C11 H10 Cu N2 O9 -","- C22 H20 Cu2 N4 O18 -","2","1","","Wang, Ming-Sheng; Guo, Guo-Cong; Fu, Ming-Lai; Xu, Ling; Cai, Li-Zhen; Huang, Jin-Shun","Self-assembly of copper(ii) complexes with ladder, bi-rack, rack‒ladder‒rack and layer structures by the directional-bonding approach using a T-shaped ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2899","2907","10.1039/b501782c","","","0.71073","MoKα","","0.1887","0.0977","","","0.2041","0.2609","","","","","","1.001","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008339","9.574","0.006","12.659","0.007","14.663","0.009","100.376","0.007","106.424","0.007","93.575","0.006","1664.6","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Cu2 N4 O13 -","- C32 H30 Cu2 N4 O13 -","- C64 H60 Cu4 N8 O26 -","2","1","","Wang, Ming-Sheng; Guo, Guo-Cong; Fu, Ming-Lai; Xu, Ling; Cai, Li-Zhen; Huang, Jin-Shun","Self-assembly of copper(ii) complexes with ladder, bi-rack, rack‒ladder‒rack and layer structures by the directional-bonding approach using a T-shaped ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2899","2907","10.1039/b501782c","","","0.71073","MoKα","","0.124","0.064","","","0.1148","0.1376","","","","","","1.001","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008340","8.8205","0.0018","9.765","0.002","13.004","0.003","65.15","0.03","71.5","0.03","72.52","0.03","945.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H44 Cu3 N2 O26 -","- C22 H16 Cu3 N2 O26 -","- C22 H16 Cu3 N2 O26 -","1","0.5","","Wang, Ming-Sheng; Guo, Guo-Cong; Fu, Ming-Lai; Xu, Ling; Cai, Li-Zhen; Huang, Jin-Shun","Self-assembly of copper(ii) complexes with ladder, bi-rack, rack‒ladder‒rack and layer structures by the directional-bonding approach using a T-shaped ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2899","2907","10.1039/b501782c","","","0.71073","MoKα","","0.1315","0.0635","","","0.1013","0.118","","","","","","1","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008341","8.751","0.004","12.731","0.005","13.573","0.008","116.388","0.016","92.26","0.03","102.76","0.02","1304.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 Cu5 N4 O30 -","- C44 H34 Cu5 N4 O30 -","- C44 H34 Cu5 N4 O30 -","1","0.5","","Wang, Ming-Sheng; Guo, Guo-Cong; Fu, Ming-Lai; Xu, Ling; Cai, Li-Zhen; Huang, Jin-Shun","Self-assembly of copper(ii) complexes with ladder, bi-rack, rack‒ladder‒rack and layer structures by the directional-bonding approach using a T-shaped ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2899","2907","10.1039/b501782c","","","0.71073","MoKα","","0.1216","0.0677","","","0.1665","0.2071","","","","","","1.004","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008342","8.6999","0.0017","9.753","0.002","15.808","0.003","85.03","0.03","74.09","0.03","74.39","0.03","1242.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Cu3 N6 O17 -","- C42 H36 Cu3 N6 O17 -","- C42 H36 Cu3 N6 O17 -","1","0.5","","Wang, Ming-Sheng; Guo, Guo-Cong; Fu, Ming-Lai; Xu, Ling; Cai, Li-Zhen; Huang, Jin-Shun","Self-assembly of copper(ii) complexes with ladder, bi-rack, rack‒ladder‒rack and layer structures by the directional-bonding approach using a T-shaped ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2899","2907","10.1039/b501782c","","","0.71073","MoKα","","0.1302","0.0678","","","0.1686","0.2025","","","","","","1","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008343","8.4051","0.0003","9.8322","0.0004","11.6927","0.0005","90","","103.262","0.0018","90","","940.52","0.07","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H16 Ga N3 -","- C5 H16 Ga N3 -","- C20 H64 Ga4 N12 -","4","1","","Cowley, Andrew R.; Downs, Anthony J.; Himmel, Hans-Jorg; Marchant, Sarah; Parsons, Simon; Yeoman, Justin A.","1,1,3,3-Tetramethylguanidine-gallane, (Me2N)2CN(H).GaH3: an unusually strongly bound gallane adduct.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1591","1597","10.1039/b501818h","","","0.71073","MoKα","","","0.0281","","","","0.0341","","","","","","0.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008344","19.7013","0.0002","19.7013","0.0002","8.8318","0.0002","90","","90","","120","","2968.72","0.08","150","2","150","2","","","","","","","","4","P 3","P 3","143","","","","- C18 H56 Ga7 N13 -","- C18 H56 Ga7 N13 -","- C54 H168 Ga21 N39 -","3","1","","Cowley, Andrew R.; Downs, Anthony J.; Himmel, Hans-Jorg; Marchant, Sarah; Parsons, Simon; Yeoman, Justin A.","1,1,3,3-Tetramethylguanidine-gallane, (Me2N)2CN(H).GaH3: an unusually strongly bound gallane adduct.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1591","1597","10.1039/b501818h","","","0.71073","MoKα","","0.0661","0.0638","","","0.1623","0.1643","","","","","","1.165","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008345","22.696","0.004","17.373","0.003","23.941","0.005","90","","115.104","0.004","90","","8548","3","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 N2 O P2 Ru S -","- C50 H44 N2 O P2 Ru S -","- C400 H352 N16 O8 P16 Ru8 S8 -","8","2","","Wilton-Ely, James D E T; Honarkhah, Sanaz J.; Wang, Ming; Tocher, Derek A.; Slawin, Alexandra M. Z.","Sigma-organyl complexes of ruthenium and osmium supported by a mixed-donor ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1930","1939","10.1039/b501906k","","","0.71073","MoKα","","0.1231","0.0474","","","0.0761","0.0937","","","","","","0.899","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008346","10.9391","0.0007","12.3109","0.0007","19.1341","0.0011","104.069","0.001","100.56","0.001","97.95","0.001","2411.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 Cl2 N2 P2 Ru S2 -","- C56 H48 Cl2 N2 P2 Ru S2 -","- C112 H96 Cl4 N4 P4 Ru2 S4 -","2","1","","Wilton-Ely, James D E T; Honarkhah, Sanaz J.; Wang, Ming; Tocher, Derek A.; Slawin, Alexandra M. Z.","Sigma-organyl complexes of ruthenium and osmium supported by a mixed-donor ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1930","1939","10.1039/b501906k","","","0.71073","MoKα","","0.0399","0.0378","","","0.0964","0.098","","","","","","1.021","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008347","21.805","0.004","17.42","0.003","24.246","0.005","90","","114.296","0.003","90","","8394","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 N2 O P2 Ru S -","- C49 H46 N2 O P2 Ru S -","- C392 H368 N16 O8 P16 Ru8 S8 -","8","2","","Wilton-Ely, James D E T; Honarkhah, Sanaz J.; Wang, Ming; Tocher, Derek A.; Slawin, Alexandra M. Z.","Sigma-organyl complexes of ruthenium and osmium supported by a mixed-donor ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1930","1939","10.1039/b501906k","","","0.71073","MoKα","","0.0648","0.0469","","","0.107","0.1159","","","","","","1.041","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008348","23.5333","0.0018","10.4216","0.0008","19.0208","0.0015","90","","100.477","0.001","90","","4587.2","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 Cl4 N2 O P2 Ru S -","- C49 H44 Cl4 N2 O P2 Ru S -","- C196 H176 Cl16 N8 O4 P8 Ru4 S4 -","4","1","","Wilton-Ely, James D E T; Honarkhah, Sanaz J.; Wang, Ming; Tocher, Derek A.; Slawin, Alexandra M. Z.","Sigma-organyl complexes of ruthenium and osmium supported by a mixed-donor ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1930","1939","10.1039/b501906k","","","0.71073","MoKα","","0.0544","0.0434","","","0.0997","0.1056","","","","","","1.029","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008349","14.773","0.003","15.086","0.004","19.255","0.005","90","","109.123","0.004","90","","4054.5","1.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H40 N2 O P2 Ru S -","- C49 H40 N2 O P2 Ru S -","- C196 H160 N8 O4 P8 Ru4 S4 -","4","1","","Wilton-Ely, James D E T; Honarkhah, Sanaz J.; Wang, Ming; Tocher, Derek A.; Slawin, Alexandra M. Z.","Sigma-organyl complexes of ruthenium and osmium supported by a mixed-donor ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1930","1939","10.1039/b501906k","","","0.71073","MoKα","","0.0423","0.0368","","","0.0939","0.0995","","","","","","0.73","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008350","11.0558","0.0003","13.2211","0.0007","18.694","0.002","83.908","0.002","85.429","0.003","64.939","0.002","2459.4","0.3","173.2","","173.2","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 Cl3 In2 O3 P3 -","- C54 H42 Cl3 In2 O3 P3 -","- C108 H84 Cl6 In4 O6 P6 -","2","1","","Saatchi, Katayoun; Patrick, Brian O.; Orvig, Chris","Coordination chemistry of P, O-bidentate phosphinophenolates with Ga3+ and In3+.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2268","2274","10.1039/b501908g","","","0.7107","MoKα","","0.0806","0.0402","","0.1135","","0.1135","","","1.13","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008351","10.332","0.0004","10.5387","0.0004","12.722","0.002","105.611","0.002","103.913","0.002","103.526","0.002","1227.2","0.2","173.2","","173.2","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H56 Cl4 In2 O6 P2 -","- C46 H56 Cl4 In2 O6 P2 -","- C46 H56 Cl4 In2 O6 P2 -","1","0.5","","Saatchi, Katayoun; Patrick, Brian O.; Orvig, Chris","Coordination chemistry of P, O-bidentate phosphinophenolates with Ga3+ and In3+.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2268","2274","10.1039/b501908g","","","0.7107","MoKα","","0.0428","0.024","","0.068","","0.068","","","1.107","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008352","9.2856","0.0005","9.8663","0.0007","12.5628","0.0005","102.024","0.003","108.807","0.002","94.664","0.003","1051.79","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.5 H16 Cl4 Ga O P -","- C18.494 H15.988 Cl3.988 Ga O P -","- C36.988 H31.976 Cl7.976 Ga2 O2 P2 -","2","1","","Saatchi, Katayoun; Patrick, Brian O.; Orvig, Chris","Coordination chemistry of P, O-bidentate phosphinophenolates with Ga3+ and In3+.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2268","2274","10.1039/b501908g","","","0.71069","MoKα","","0.0412","0.0332","","","0.083","0.0863","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008353","11.816","0.002","19.038","0.004","22.377","0.005","92.67","0.03","102.6","0.03","99.47","0.03","4827.8","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H77 La N5 Si2 -","- C45 H70 La N5 Si2 -","- C180 H280 La4 N20 Si8 -","4","2","","Vitanova, Daniela V.; Hampel, Frank; Hultzsch, Kai C.","Synthesis and structural characterisation of novel linked bis(beta-diketiminato) rare earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1565","1566","10.1039/b501930c","","","0.71073","MoKα","","0.0643","0.0383","","","0.1002","0.1174","","","","","","0.997","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008354","11.6019","0.0001","12.3156","0.0001","18.3663","0.0002","89.618","0.001","79.329","0.001","69.595","0.001","2412.28","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H76 La N5 Si2 -","- C46 H76 La N5 Si2 -","- C92 H152 La2 N10 Si4 -","2","1","","Vitanova, Daniela V.; Hampel, Frank; Hultzsch, Kai C.","Synthesis and structural characterisation of novel linked bis(beta-diketiminato) rare earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1565","1566","10.1039/b501930c","","","0.71073","MoKα","","0.0273","0.0243","","","0.0654","0.0669","","","","","","1.034","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008355","8.8819","0.0005","11.3639","0.0007","18.4757","0.0011","98.951","0.001","98.003","0.001","105.114","0.001","1746.49","0.18","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 Cu N3 O13 P3 V2 -","- C33 H28 Cu N3 O13 P3 V2 -","- C66 H56 Cu2 N6 O26 P6 V4 -","2","1","","Yucesan, Gundog; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry of the copper(ii)-terpyridine/oxovanadium organophosphonate system: hydrothermal syntheses, structural characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2241","2251","10.1039/b502073e","","","0.71073","MoKα","","0.0364","0.0309","","","0.0792","0.0821","","","","","","1.051","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008356","10.5656","0.0006","7.704","0.0004","22.4544","0.0013","90","","99.141","0.001","90","","1804.52","0.17","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Cu N3 O7 P2 V -","- C16 H13 Cu N3 O7 P2 V -","- C64 H52 Cu4 N12 O28 P8 V4 -","4","1","","Yucesan, Gundog; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry of the copper(ii)-terpyridine/oxovanadium organophosphonate system: hydrothermal syntheses, structural characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2241","2251","10.1039/b502073e","","","0.71073","MoKα","","0.0373","0.031","","","0.0757","0.0788","","","","","","1.058","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008357","18.7614","0.0013","25.3542","0.0017","16.1008","0.0011","90","","99.441","0.001","90","","7555.1","0.9","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cu2 N6 O16 P2 V4 -","- C32 H26 Cu2 N6 O16 P2 V4 -","- C256 H208 Cu16 N48 O128 P16 V32 -","8","1","","Yucesan, Gundog; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry of the copper(ii)-terpyridine/oxovanadium organophosphonate system: hydrothermal syntheses, structural characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2241","2251","10.1039/b502073e","","","0.71073","MoKα","","0.0385","0.0322","","","0.0837","0.0887","","","","","","1.041","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008358","9.0201","0.0007","17.22","0.0014","14.8472","0.0012","90","","99.985","0.002","90","","2271.2","0.3","104","2","104","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cu N3 O10 P2 V2 -","- C18 H17 Cu N3 O10 P2 V2 -","- C72 H68 Cu4 N12 O40 P8 V8 -","4","1","","Yucesan, Gundog; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry of the copper(ii)-terpyridine/oxovanadium organophosphonate system: hydrothermal syntheses, structural characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2241","2251","10.1039/b502073e","","","0.71073","MoKα","","0.0246","0.0231","","","0.0621","0.0629","","","","","","1.057","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008359","10.051","0.003","10.22","0.003","14.287","0.005","88.698","0.006","76.678","0.006","69.082","0.006","1331.1","0.7","96","2","96","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H21 Cu N3 O13 P2 V3 -","- C19 H21 Cu N3 O13 P2 V3 -","- C38 H42 Cu2 N6 O26 P4 V6 -","2","1","","Yucesan, Gundog; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry of the copper(ii)-terpyridine/oxovanadium organophosphonate system: hydrothermal syntheses, structural characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2241","2251","10.1039/b502073e","","","0.71073","MoKα","","0.0609","0.0436","","","0.094","0.103","","","","","","1.034","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008360","8.8569","0.0006","10.7058","0.0007","20.4918","0.0014","99.344","0.001","98.779","0.001","94.067","0.001","1885.6","0.2","92","2","92","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu2 N6 O17 V6 -","- C30 H22 Cu2 N6 O17 V6 -","- C60 H44 Cu4 N12 O34 V12 -","2","1","","Yucesan, Gundog; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry of the copper(ii)-terpyridine/oxovanadium organophosphonate system: hydrothermal syntheses, structural characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2241","2251","10.1039/b502073e","","","0.71073","MoKα","","0.0527","0.0388","","","0.0932","0.0993","","","","","","1.027","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008361","10.361","0.003","10.443","0.004","12.259","0.004","83.08","0.006","86.584","0.006","82.832","0.006","1305.1","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Cu N3 O12.5 P2 V2 -","- C18 H17 Cu N3 O12.5 P2 V2 -","- C36 H34 Cu2 N6 O25 P4 V4 -","2","1","","Yucesan, Gundog; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry of the copper(ii)-terpyridine/oxovanadium organophosphonate system: hydrothermal syntheses, structural characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2241","2251","10.1039/b502073e","","","0.71073","MoKα","","0.0563","0.0528","","","0.1225","0.1244","","","","","","1.207","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008362","15.854","0.004","11.608","0.003","10.109","0.003","90","","90","","90","","1860.4","0.9","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","Pd3(OAc)5NO2","","","- C10 H15 N O12 Pd3 -","- C10 H15 N O12 Pd3 -","- C40 H60 N4 O48 Pd12 -","4","1","","Bakhmutov, Vladimir I.; Berry, John F.; Cotton, F. Albert; Ibragimov, Sergey; Murillo, Carlos A.","Non-trivial behavior of palladium(II) acetate.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1989","1992","10.1039/b502122g","","","0.71073","MoKα","","0.0309","0.028","","","0.0717","0.0736","","","","","","1.06","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008363","8.139","0.002","15.891","0.004","17.5","0.005","90","","90","","90","","2263.4","1","213","2","213","2","","","","","","","","5","P b c m","-P 2c 2b","57","Pd3(OAc)6CH2Cl2","","","- C13 H20 Cl2 O12 Pd3 -","- C13 H20 Cl2 O12 Pd3 -","- C52 H80 Cl8 O48 Pd12 -","4","0.5","","Bakhmutov, Vladimir I.; Berry, John F.; Cotton, F. Albert; Ibragimov, Sergey; Murillo, Carlos A.","Non-trivial behavior of palladium(II) acetate.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1989","1992","10.1039/b502122g","","","0.71073","MoKα","","0.0244","0.0214","","","0.0563","0.0583","","","","","","1.005","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008364","14.386","0.0003","9.246","0.0002","20.1033","0.0004","90","","99.4384","0.0014","90","","2637.8","0.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) diperchlorate","","- C22 H18 Cl2 Fe N10 O8 -","- C22 H18 Cl2 Fe N10 O8 -","- C88 H72 Cl8 Fe4 N40 O32 -","4","0.5","","Elhaik, Jerome; Evans, David J.; Kilner, Colin A.; Halcrow, Malcolm A.","A structural, magnetic and Mössbauer spectroscopic study of an unusual angular Jahn-Teller distortion in a series of high-spin iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1693","1700","10.1039/b502175h","","","0.71073","MoKα","","0.0557","0.0376","","","0.0957","0.1052","","","","","","1.06","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008365","14.6737","0.0002","9.561","0.0002","21.1182","0.0004","90","","100.002","0.0008","90","","2917.75","0.09","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) di(hexafluoroantimonate)","","- C22 H18 F12 Fe N10 Sb2 -","- C22 H18 F12 Fe N10 Sb2 -","- C88 H72 F48 Fe4 N40 Sb8 -","4","0.5","","Elhaik, Jerome; Evans, David J.; Kilner, Colin A.; Halcrow, Malcolm A.","A structural, magnetic and Mössbauer spectroscopic study of an unusual angular Jahn-Teller distortion in a series of high-spin iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1693","1700","10.1039/b502175h","","","0.71073","MoKα","","0.0335","0.0291","","","0.071","0.0734","","","","","","1.042","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008366","7.492","0.0001","25.95","0.0004","22.5016","0.0004","90","","99.2805","0.0006","90","","4317.44","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[2,6-bis{3-phenylpyrazol-1-yl}pyridine]iron(II) ditetrafluoroborate, alpha polymorph","","- C46 H34 B2 F8 Fe N10 -","- C46 H34 B2 F8 Fe N10 -","- C184 H136 B8 F32 Fe4 N40 -","4","1","","Elhaik, Jerome; Evans, David J.; Kilner, Colin A.; Halcrow, Malcolm A.","A structural, magnetic and Mössbauer spectroscopic study of an unusual angular Jahn-Teller distortion in a series of high-spin iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1693","1700","10.1039/b502175h","","","0.71073","MoKα","","0.141","0.1278","","","0.2848","0.2913","","","","","","1.167","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008367","7.6246","0.0015","26.37","0.004","44.091","0.006","90","","90","","90","","8865","3","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","Bis(2,6-bis(3-phenylpyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate, beta polymorph","Bis[2,6-bis{3-phenylpyrazol-1-yl}pyridine]iron(II) ditetrafluoroborate, beta polymorph","","- C46 H34 B2 F8 Fe N10 -","- C46 H34 B2 F8.14 Fe N10 -","- C368 H272 B16 F65.12 Fe8 N80 -","8","0.25","","Elhaik, Jerome; Evans, David J.; Kilner, Colin A.; Halcrow, Malcolm A.","A structural, magnetic and Mössbauer spectroscopic study of an unusual angular Jahn-Teller distortion in a series of high-spin iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1693","1700","10.1039/b502175h","","","0.71073","MoKα","","0.0568","0.0409","","","0.1113","0.1226","","","","","","1.048","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008368","22.7463","0.0001","13.2037","0.0001","63.9493","0.0003","90","","101.594","0.0002","90","","18814.3","0.19","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[2,6-bis(3-isopropylpyrazol-1-yl)pyridine]iron(II) dihexafluorophosphate hemi-diethyl ether acetonitrile solvate","","- C37.17 H48.76 F12 Fe N10.59 O0.5 P2 -","- C37.175 H48.7625 F12 Fe N10.5875 O0.5 P2 -","- C594.8 H780.2 F192 Fe16 N169.4 O8 P32 -","16","4","","Elhaik, Jerome; Evans, David J.; Kilner, Colin A.; Halcrow, Malcolm A.","A structural, magnetic and Mössbauer spectroscopic study of an unusual angular Jahn-Teller distortion in a series of high-spin iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1693","1700","10.1039/b502175h","","","0.71073","MoKα","","0.1216","0.0784","","","0.1979","0.2285","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008369","18.22","0.0003","9.5176","0.0002","23.8513","0.0005","90","","104.219","0.0006","90","","4009.35","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[2,6-bis(3-{ethylcarboxy}pyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate","","- C34 H34 B2 F8 Fe N10 O8 -","- C34 H34 B2 F8 Fe N10 O8 -","- C136 H136 B8 F32 Fe4 N40 O32 -","4","1","","Elhaik, Jerome; Evans, David J.; Kilner, Colin A.; Halcrow, Malcolm A.","A structural, magnetic and Mössbauer spectroscopic study of an unusual angular Jahn-Teller distortion in a series of high-spin iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1693","1700","10.1039/b502175h","","","0.71073","MoKα","","0.0807","0.0468","","","0.1073","0.1229","","","","","","1.022","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008370","20.0482","0.0003","9.9323","0.0001","16.4584","0.0002","90","","109.273","0.0007","90","","3093.6","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[2,6-bis{3-(hydroxymethyl)pyrazol-1-yl}pyridine]iron(II) ditetrafluoroborate","","- C26 H26 B2 F8 Fe N10 O4 -","- C26 H26 B1.99 F7.96 Fe N10 O4 -","- C104 H104 B7.96 F31.84 Fe4 N40 O16 -","4","1","","Elhaik, Jerome; Evans, David J.; Kilner, Colin A.; Halcrow, Malcolm A.","A structural, magnetic and Mössbauer spectroscopic study of an unusual angular Jahn-Teller distortion in a series of high-spin iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1693","1700","10.1039/b502175h","","","0.71073","MoKα","","0.0812","0.0685","","","0.1929","0.2054","","","","","","1.034","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008371","8.735","0.001","9.215","0.001","14.701","0.001","101.53","0.002","97.46","0.002","116.2","0.002","1007.81","0.18","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C21 H22 Cl P Pd S -","- C21 H22 Cl P Pd S -","- C42 H44 Cl2 P2 Pd2 S2 -","2","1","","Dilworth, Jonathan R.; von Beckh W, Carlo A Maresca; Pascu, Sofia I.","Synthesis, structure and catalytic activity of thioether-phosphane complexes of Pd(II) and Pt(II).","Dalton transactions (Cambridge, England : 2003)","2005","","12","2151","2161","10.1039/b502195b","","","0.71073","MoKα","","0.0848","0.0558","","0.0653","0.0568","0.0568","","","","","","1.0815","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008372","8.7885","0.0002","15.0806","0.0003","16.1036","0.0004","90","","104.982","0.0008","90","","2061.75","0.08","150","","150","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 P Pt S -","- C22 H25 P Pt S -","- C88 H100 P4 Pt4 S4 -","4","1","","Dilworth, Jonathan R.; von Beckh W, Carlo A Maresca; Pascu, Sofia I.","Synthesis, structure and catalytic activity of thioether-phosphane complexes of Pd(II) and Pt(II).","Dalton transactions (Cambridge, England : 2003)","2005","","12","2151","2161","10.1039/b502195b","","","0.71073","MoKα","","0.0236","0.021","","0.0289","0.0268","0.0268","","","","","","1.0168","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008373","10.3529","0.0002","11.5466","0.0002","19.6892","0.0004","86.8988","0.0008","78.5238","0.0008","87.2643","0.0007","2301.59","0.08","150","","150","","","","","","","","?","6","P -1","-P 1","2","","","","- C21 H21 Cl4 P Pd S -","- C21 H21 Cl4 P Pd S -","- C84 H84 Cl16 P4 Pd4 S4 -","4","2","","Dilworth, Jonathan R.; von Beckh W, Carlo A Maresca; Pascu, Sofia I.","Synthesis, structure and catalytic activity of thioether-phosphane complexes of Pd(II) and Pt(II).","Dalton transactions (Cambridge, England : 2003)","2005","","12","2151","2161","10.1039/b502195b","","","0.71073","MoKα","","0.0633","0.0308","","0.0633","0.0335","0.0335","","","","","","1.0776","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008374","12.5554","0.0004","15.0824","0.0005","12.7084","0.0004","90","","109.723","0.0014","90","","2265.35","0.13","150","","150","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl2 P Pd S -","- C23 H25 Cl2 P Pd S -","- C92 H100 Cl8 P4 Pd4 S4 -","4","1","","Dilworth, Jonathan R.; von Beckh W, Carlo A Maresca; Pascu, Sofia I.","Synthesis, structure and catalytic activity of thioether-phosphane complexes of Pd(II) and Pt(II).","Dalton transactions (Cambridge, England : 2003)","2005","","12","2151","2161","10.1039/b502195b","","","0.71073","MoKα","","0.0609","0.0317","","0.0561","0.0337","0.0337","","","","","","1.1108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008375","9.8876","0.0003","13.0573","0.0004","17.6637","0.0006","90","","96.6649","0.0012","90","","2265.07","0.12","150","","150","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cl2 P Pd S -","- C25 H21 Cl2 P Pd S -","- C100 H84 Cl8 P4 Pd4 S4 -","4","1","","Dilworth, Jonathan R.; von Beckh W, Carlo A Maresca; Pascu, Sofia I.","Synthesis, structure and catalytic activity of thioether-phosphane complexes of Pd(II) and Pt(II).","Dalton transactions (Cambridge, England : 2003)","2005","","12","2151","2161","10.1039/b502195b","","","0.71073","MoKα","","0.0733","0.05","","0.0637","0.0534","0.0534","","","","","","1.0609","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008376","15.0056","0.0016","25.843","0.003","15.1951","0.0017","90","","96.204","0.002","90","","5858","1.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","bis((μ~2~-Sulfido)-(1,2-bis(diphenylarsino)ethane)-platinum) benzene solvate","","- C64 H60 As4 Pt2 S2 -","- C64 H60 As4 Pt2 S2 -","- C256 H240 As16 Pt8 S8 -","4","1","","Novio, Fernando; Mas-Ballesté, Rubén; Gallardo, Iluminada; González-Duarte, Pilar; Lledós, Agustí; Vila, Neus","Influence of the terminal ligands on the redox properties of the {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As) complexes and on their reactivity towards metal centres, protic acids and organic electrophiles.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2742","2753","10.1039/b502196k","","x-ray","0.71073","MoKα","","0.0959","0.0384","","","0.0643","0.0826","","","","","","1.094","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008377","9.224","0.002","13.906","0.003","21.742","0.005","90","","90","","90","","2788.8","1.1","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","dichloro-(bis(1,2-diphenylarsino)ethane)-platinum(ii) acetone solvate","","- C29 H30 As2 Cl2 O Pt -","- C29 H30 As2 Cl2 O Pt -","- C116 H120 As8 Cl8 O4 Pt4 -","4","1","","Novio, Fernando; Mas-Ballesté, Rubén; Gallardo, Iluminada; González-Duarte, Pilar; Lledós, Agustí; Vila, Neus","Influence of the terminal ligands on the redox properties of the {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As) complexes and on their reactivity towards metal centres, protic acids and organic electrophiles.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2742","2753","10.1039/b502196k","","x-ray","0.71073","MoKα","","0.0382","0.0277","","","0.0573","0.0619","","","","","","1.095","","","","has coordinates","288178","2023-12-08","09:51:07",""
"7008378","26.419","0.004","14.858","0.002","29.009","0.004","90","","112.152","0.002","90","","10546","3","120","0.1","120","0.1","","","","","","","synthesis as described","9","P 1 21/c 1","-P 2ybc","14","","tetrakis((μ~3~-Sulfido)-(1,2-bis(diphenylarsino)ethane)-platinum)-copper(ii) bis(tetrafluoroborate) ethanol water solvate","","- C106 H104 As8 B2 Cu F8 O2 Pt4 S4 -","- C106 H102 As8 B2 Cu F8 O2 Pt4 S4 -","- C424 H408 As32 B8 Cu4 F32 O8 Pt16 S16 -","4","1","","Novio, Fernando; Mas-Ballesté, Rubén; Gallardo, Iluminada; González-Duarte, Pilar; Lledós, Agustí; Vila, Neus","Influence of the terminal ligands on the redox properties of the {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As) complexes and on their reactivity towards metal centres, protic acids and organic electrophiles.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2742","2753","10.1039/b502196k","","","0.71073","MoKα","","0.1249","0.0598","","","0.1395","0.1636","","","","","","0.907","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008379","18.1852","0.0011","18.1852","0.0011","48.087","0.003","90","","90","","90","","15902.4","1.7","120","0.1","120","0.1","","","","","","","synthesis as described","7","P 43 21 2","P 4nw 2abw","96","tetrakis((mu!3$-Sulfido)-(1,2-bis(diphenylarsino)ethane)- platinum)-zinc(ii) bis(tetraphenylborate)","tetrakis((μ~3~-Sulfido)-(1,2-bis(diphenylarsino)ethane)-platinum)-zinc(ii) bis(tetraphenylborate)","","- C152 H136 As8 B2 Pt4 S4 Zn -","- C152 H136 As8 B2 Pt4 S4 Zn -","- C608 H544 As32 B8 Pt16 S16 Zn4 -","4","0.5","","Novio, Fernando; Mas-Ballesté, Rubén; Gallardo, Iluminada; González-Duarte, Pilar; Lledós, Agustí; Vila, Neus","Influence of the terminal ligands on the redox properties of the {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As) complexes and on their reactivity towards metal centres, protic acids and organic electrophiles.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2742","2753","10.1039/b502196k","","x-ray","0.71073","MoKα","","0.0613","0.0436","","","0.1009","0.1088","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008380","49.719","0.008","15.207","0.003","29.137","0.005","90","","103.427","0.003","90","","21428","7","120","0.1","120","0.1","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","tetrakis((mu!3$-Sulfido)-(1,2-bis(diphenylarsino)ethane)- platinum)-mercury(ii) chloride hydrogen-dichloride ethanol water solvate","tetrakis((μ~3~-Sulfido)-(1,2-bis(diphenylarsino)ethane)-platinum)-mercury(ii) chloride hydrogen-dichloride ethanol water solvate","","- C109 H113.5 As8 Cl2.5 Hg O3.5 Pt4 S4 -","- C109 H113.5 As8 Cl2.5 Hg O3.5 Pt4 S4 -","- C872 H908 As64 Cl20 Hg8 O28 Pt32 S32 -","8","1","","Novio, Fernando; Mas-Ballesté, Rubén; Gallardo, Iluminada; González-Duarte, Pilar; Lledós, Agustí; Vila, Neus","Influence of the terminal ligands on the redox properties of the {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As) complexes and on their reactivity towards metal centres, protic acids and organic electrophiles.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2742","2753","10.1039/b502196k","","x-ray","0.71073","MoKα","","0.1137","0.0449","","","0.0859","0.1118","","","","","","0.989","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008381","9.264","0.0012","26.988","0.004","12.1334","0.0016","90","","100.732","0.002","90","","2980.5","0.7","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","(1,2-bis(diphenylarsino)ethane)-(methanedithiolato)-platinum acetonitrile solvate","(1,2-bis(diphenylarsino)ethane)-(methanedithiolato)-platinum acetonitrile solvate","","- C28 H27.5 As2 N0.5 Pt S2 -","- C56 H55 As4 N Pt2 S4 -","- C112 H110 As8 N2 Pt4 S8 -","2","0.5","","Novio, Fernando; Mas-Ballesté, Rubén; Gallardo, Iluminada; González-Duarte, Pilar; Lledós, Agustí; Vila, Neus","Influence of the terminal ligands on the redox properties of the {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As) complexes and on their reactivity towards metal centres, protic acids and organic electrophiles.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2742","2753","10.1039/b502196k","","x-ray","0.71073","MoKα","","0.0641","0.0473","","","0.1249","0.1386","","","","","","1.235","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008382","23.387","0.006","18.798","0.005","51.687","0.014","90","","96.543","0.005","90","","22575","10","120","0.1","120","0.1","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","tetrakis((mu!3$-Sulfido)-(1,2-bis(diphenylarsino)ethane)- platinum)-cadmium(ii) diperchlorate ethanol water solvate","tetrakis((μ~3~-Sulfido)-(1,2-bis(diphenylarsino)ethane)-platinum)-cadmium(ii) diperchlorate ethanol water solvate","","- C109 H113 As8 Cd Cl2 O11.5 Pt4 S4 -","- C108.75 H110 As8 Cd Cl2 O11 Pt4 S4 -","- C870 H880 As64 Cd8 Cl16 O88 Pt32 S32 -","8","1","","Novio, Fernando; Mas-Ballesté, Rubén; Gallardo, Iluminada; González-Duarte, Pilar; Lledós, Agustí; Vila, Neus","Influence of the terminal ligands on the redox properties of the {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As) complexes and on their reactivity towards metal centres, protic acids and organic electrophiles.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2742","2753","10.1039/b502196k","","x-ray","0.7107","MoKα","","0.1154","0.0873","","","0.1744","0.1847","","","","","","1.203","","","","has coordinates,has disorder","288178","2023-12-08","09:51:07",""
"7008383","14.306","0.003","15.391","0.003","29.884","0.006","91.679","0.004","99.603","0.004","116.255","0.003","5779","2","120","0.1","120","0.1","","","","","","","synthesis as described","7","P -1","-P 1","2","","bis(μ~3~-Sulfido)-tris((1,2-bis(diphenylarsino)ethane)-platinum) bis(tetraphenylborate) dimethylsulfoxide solvate","","- C130 H124 As6 B2 O2 Pt3 S4 -","- C130 H124 As6 B2 O2 Pt3 S4 -","- C260 H248 As12 B4 O4 Pt6 S8 -","2","1","","Novio, Fernando; Mas-Ballesté, Rubén; Gallardo, Iluminada; González-Duarte, Pilar; Lledós, Agustí; Vila, Neus","Influence of the terminal ligands on the redox properties of the {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As) complexes and on their reactivity towards metal centres, protic acids and organic electrophiles.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2742","2753","10.1039/b502196k","","x-ray","0.71073","MoKα","","0.0502","0.032","","","0.0665","0.0729","","","","","","1.04","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008384","8.8275","0.0018","10.307","0.002","10.362","0.002","68.1","0.03","73.4","0.03","75","0.03","825.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H46 N6 O2 P4 -","- C28 H46 N6 O2 P4 -","- C28 H46 N6 O2 P4 -","1","0.5","","Garcia, Felipe; Goodman, Jonathan M.; Kowenicki, Richard A.; McPartlin, Mary; Riera, Lucia; Silva, Maria A.; Wirsing, Andreas; Wright, Dominic S.","Selection of the cis and trans phosph(III)azane macrocycles [{P(mu-NtBu)}2(1-Y-2-NH-C6H4)]2(Y=O, S).","Dalton transactions (Cambridge, England : 2003)","2005","","10","1764","1773","10.1039/b502200b","","","0.71073","MoKα","","0.0714","0.0628","","","0.1728","0.1754","","","","","","1.202","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008385","9.0091","0.0018","9.3028","0.0019","20.968","0.004","87.66","0.03","89.25","0.03","79.64","0.03","1727.2","0.6","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H46 N6 P4 S2 -","- C28 H46 N6 P4 S2 -","- C56 H92 N12 P8 S4 -","2","1","","Garcia, Felipe; Goodman, Jonathan M.; Kowenicki, Richard A.; McPartlin, Mary; Riera, Lucia; Silva, Maria A.; Wirsing, Andreas; Wright, Dominic S.","Selection of the cis and trans phosph(III)azane macrocycles [{P(mu-NtBu)}2(1-Y-2-NH-C6H4)]2(Y=O, S).","Dalton transactions (Cambridge, England : 2003)","2005","","10","1764","1773","10.1039/b502200b","","","0.71073","MoKα","","0.0745","0.0443","","","0.1021","0.1142","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008386","11.308","0.002","13.578","0.003","15.342","0.003","103.49","0.03","96.66","0.03","91.07","0.03","2272.6","0.9","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 N4 O2 P2 -","- C20 H30 N4 O2 P2 -","- C80 H120 N16 O8 P8 -","4","2","","Garcia, Felipe; Goodman, Jonathan M.; Kowenicki, Richard A.; McPartlin, Mary; Riera, Lucia; Silva, Maria A.; Wirsing, Andreas; Wright, Dominic S.","Selection of the cis and trans phosph(III)azane macrocycles [{P(mu-NtBu)}2(1-Y-2-NH-C6H4)]2(Y=O, S).","Dalton transactions (Cambridge, England : 2003)","2005","","10","1764","1773","10.1039/b502200b","","","0.71073","MoKα","","0.0886","0.0523","","","0.1427","0.1642","","","","","","1.064","","","","has coordinates","287939","2023-12-01","16:52:17",""
"7008387","14.756","0.003","9.0309","0.0018","17.947","0.004","90","","97.74","0.03","90","","2369.8","0.9","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 N4 P2 S2 -","- C20 H30 N4 P2 S2 -","- C80 H120 N16 P8 S8 -","4","1","","Garcia, Felipe; Goodman, Jonathan M.; Kowenicki, Richard A.; McPartlin, Mary; Riera, Lucia; Silva, Maria A.; Wirsing, Andreas; Wright, Dominic S.","Selection of the cis and trans phosph(III)azane macrocycles [{P(mu-NtBu)}2(1-Y-2-NH-C6H4)]2(Y=O, S).","Dalton transactions (Cambridge, England : 2003)","2005","","10","1764","1773","10.1039/b502200b","","","0.71073","MoKα","","0.0988","0.0576","","","0.145","0.1696","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008388","9.496","0.0019","9.542","0.0019","18.721","0.004","87.88","0.03","81.98","0.03","85.42","0.03","1673.8","0.6","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N18 O11 Pt -","- C24 H24 N18 O11 Pt -","- C48 H48 N36 O22 Pt2 -","2","1","","Sanz Miguel, Pablo J.; Lippert, Bernhard","Cationic tetrakis(nucleobase)complexes of PtII as metalloligands and potential building blocks for molecular architectures.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1679","1686","10.1039/b502251g","","","0.71073","MoKα","","","0.0403","","","","0.0806","","","","","","0.989","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008389","11.211","0.002","11.605","0.002","18.442","0.004","89.5","0.03","75.92","0.03","87.81","0.03","2325.6","0.8","293","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H38 Cl3 Cu1.5 N18 O29 Pt -","- C24 H24 Cl3 Cu1.5 N18 O29 Pt -","- C48 H48 Cl6 Cu3 N36 O58 Pt2 -","2","1","","Sanz Miguel, Pablo J.; Lippert, Bernhard","Cationic tetrakis(nucleobase)complexes of PtII as metalloligands and potential building blocks for molecular architectures.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1679","1686","10.1039/b502251g","","","0.71073","MoKα","","","0.0534","","","","0.1354","","","","","","0.926","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008390","15.928","0.007","7.485","0.001","24.593","0.004","90","","91.19","0.03","90","","2931.4","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Cl2 Cu2 Fe N4 O11 -","- C20 H36 Cl2 Cu2 Fe N4 O11 -","- C80 H144 Cl8 Cu8 Fe4 N16 O44 -","4","1","","López, Concepción; Costa, Ramon; Illas, Francesc; de Graaf, Coen; Turnbull, Mark M.; Landee, Christopher P.; Espinosa, Enric; Mata, Ignasi; Molins, Elies","Magneto-structural correlations in binuclear copper(II) compounds bridged by a ferrocenecarboxylato(-1) and an hydroxo- or methoxo-ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2322","2330","10.1039/b502264a","","","0.71069","MoKα","","0.2567","0.106","","","0.2786","0.3308","","","","","","1.003","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008391","9.241","0.001","16.743","0.001","21.306","0.001","90","0.01","90","0.01","90","0.01","3296.5","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H42 Cl2 Cu2 Fe N4 O11 -","- C23 H42 Cl2 Cu2 Fe N4 O11 -","- C92 H168 Cl8 Cu8 Fe4 N16 O44 -","4","1","","López, Concepción; Costa, Ramon; Illas, Francesc; de Graaf, Coen; Turnbull, Mark M.; Landee, Christopher P.; Espinosa, Enric; Mata, Ignasi; Molins, Elies","Magneto-structural correlations in binuclear copper(II) compounds bridged by a ferrocenecarboxylato(-1) and an hydroxo- or methoxo-ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2322","2330","10.1039/b502264a","","","0.71069","MoKα","","0.2701","0.048","","","0.0873","0.1052","","","","","","0.899","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008392","19.292","0.0009","19.396","0.0011","20.583","0.0011","90","","115.522","0.003","90","","6950.4","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H23 F71 O2 P2 Pd -","- C50 H23 F71 O2 P2 Pd -","- C200 H92 F284 O8 P8 Pd4 -","4","1","","Tuba, Róbert; Tesevic, Verona; Dinh, Long V.; Hampel, Frank; Gladysz, J. A.","Synthesis, structure, and reactivity of fluorous phosphorus/carbon/phosphorus pincer ligands and metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2275","2283","10.1039/b502309b","","","0.71073","MoKα","","0.1731","0.1124","","","0.2973","0.3413","","","","","","1.037","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008393","14.107","0.003","11.754","0.002","14.203","0.002","90","","118.95","0.011","90","","2060.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H26 B20 S -","- C6 H26 B20 S -","- C24 H104 B80 S4 -","4","1","","Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Benakki, Rajae; Grüner, Bohumir; Viñas, Clara","Synthesis, reactivity and structural studies of carboranyl thioethers and disulfides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1785","1795","10.1039/b502328a","","","0.71069","MoKα","","0.1235","0.0612","","","0.1503","0.176","","","","","","0.988","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008394","23.5885","0.0003","7.0116","0.0001","11.5732","0.0002","90","","90","","90","","1914.13","0.05","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H22 B20 S2 -","- C4 H22 B20 S2 -","- C16 H88 B80 S8 -","4","1","","Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Benakki, Rajae; Grüner, Bohumir; Viñas, Clara","Synthesis, reactivity and structural studies of carboranyl thioethers and disulfides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1785","1795","10.1039/b502328a","","","0.71073","MoKα","","0.0425","0.0337","","0.1065","","0.0799","","","1.033","","","1.033","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008395","18.538","0.006","15.36","0.007","15.282","0.006","90","","90.22","0.02","90","","4351","3","296","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H26 B20 S2 -","- C6 H26 B20 S2 -","- C48 H208 B160 S16 -","8","1","","Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Benakki, Rajae; Grüner, Bohumir; Viñas, Clara","Synthesis, reactivity and structural studies of carboranyl thioethers and disulfides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1785","1795","10.1039/b502328a","","","0.71069","MoKα","","0.1502","0.0878","","","0.1941","0.213","","","","","","1.146","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008396","11.579","0.003","12.917","0.004","10.511","0.005","110.95","0.03","102.28","0.03","85.09","0.03","1434.5","1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H30 B20 S2 -","- C14.944 H28.02 B18.68 S2 -","- C29.888 H56.04 B37.36 S4 -","2","1","","Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Benakki, Rajae; Grüner, Bohumir; Viñas, Clara","Synthesis, reactivity and structural studies of carboranyl thioethers and disulfides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1785","1795","10.1039/b502328a","","","0.71069","MoKα","","0.1754","0.069","","","0.1558","0.1837","","","","","","1.003","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008397","10.209","0.007","13.046","0.008","19.001","0.011","90","","98.93","0.07","90","","2500","3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H38 B19 N S -","- C10 H38 B19 N S -","- C40 H152 B76 N4 S4 -","4","1","","Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Benakki, Rajae; Grüner, Bohumir; Viñas, Clara","Synthesis, reactivity and structural studies of carboranyl thioethers and disulfides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1785","1795","10.1039/b502328a","","","1.54184","CuKα","","0.0929","0.0654","","","0.1791","0.1935","","","","","","1.053","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008398","16.367","0.004","14.423","0.003","7.4705","0.0017","90","","102.49","0.004","90","","1721.8","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Co O7 S2 -","- C12 H22 Co O7 S2 -","- C48 H88 Co4 O28 S8 -","4","0.5","","Zheng, Bai-Shu; Zhang, Xiao-Yi; Zhu, Huai-Wu; Luo, Shi-Xia; Lindoy, Leonard F.; McMurtrie, John C.; Turner, Peter; Wei, Gang","Interaction of cobalt(II) and nickel(II) with a gamma-linked, bis-beta-diketone ligand to yield an unusual coordination motif.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1349","1351","10.1039/b502334c","","","0.71073","MoKα","","0.0222","0.0208","","","0.0519","0.0525","","","","","","1.02","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008399","16.236","0.003","14.445","0.003","7.4624","0.0014","90","","101.493","0.003","90","","1715.1","0.6","123","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Ni O7 S2 -","- C12 H22 Ni O7 S2 -","- C48 H88 Ni4 O28 S8 -","4","0.5","","Zheng, Bai-Shu; Zhang, Xiao-Yi; Zhu, Huai-Wu; Luo, Shi-Xia; Lindoy, Leonard F.; McMurtrie, John C.; Turner, Peter; Wei, Gang","Interaction of cobalt(II) and nickel(II) with a gamma-linked, bis-beta-diketone ligand to yield an unusual coordination motif.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1349","1351","10.1039/b502334c","","","0.71073","MoKα","","0.0223","0.0208","","","0.0516","0.0521","","","","","","1.272","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008400","9.2777","0.0016","13.122","0.009","9.743","0.003","90","","97.9","0.02","90","","1174.9","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H30 N O2 P S -","- C24 H30 N O2 P S -","- C48 H60 N2 O4 P2 S2 -","2","1","","Kumaraswamy, Sudha; Kumar, K. Senthil; Kumar, N. Satish; Swamy, K. C. Kumara","Addition products of a P(III)-isothiocyanate to dialkyl acetylenedicarboxylates: a spirocyclic phosphinimine and a triphosphorus heterocycle with tetra- and penta-coordinate phosphorus.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1847","1851","10.1039/b502358k","","","0.71073","MoKα","","0.1075","0.0505","","","0.0968","0.1317","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008401","10.4","0.002","18.36","0.004","16.485","0.008","90","","107.79","0.03","90","","2997.2","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N O6 P S -","- C30 H36 N O6 P S -","- C120 H144 N4 O24 P4 S4 -","4","1","","Kumaraswamy, Sudha; Kumar, K. Senthil; Kumar, N. Satish; Swamy, K. C. Kumara","Addition products of a P(III)-isothiocyanate to dialkyl acetylenedicarboxylates: a spirocyclic phosphinimine and a triphosphorus heterocycle with tetra- and penta-coordinate phosphorus.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1847","1851","10.1039/b502358k","","","0.71073","MoKα","","0.1425","0.0532","","","0.1062","0.1491","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008402","12.1695","0.0007","12.8469","0.0007","24.2906","0.0013","90","","92.721","0.001","90","","3793.3","0.4","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 N O6 P S -","- C39 H48 N O6 P S -","- C156 H192 N4 O24 P4 S4 -","4","1","","Kumaraswamy, Sudha; Kumar, K. Senthil; Kumar, N. Satish; Swamy, K. C. Kumara","Addition products of a P(III)-isothiocyanate to dialkyl acetylenedicarboxylates: a spirocyclic phosphinimine and a triphosphorus heterocycle with tetra- and penta-coordinate phosphorus.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1847","1851","10.1039/b502358k","","","0.71073","MoKα","","0.0978","0.0627","","","0.1767","0.1995","","","","","","1.151","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008403","20.597","0.005","17.682","0.009","25.858","0.006","90","","96.3","0.02","90","","9361","6","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C82 H104 Cl4 N3 O10 P3 S3 -","- C82 H104 Cl4 N3 O10 P3 S3 -","- C328 H416 Cl16 N12 O40 P12 S12 -","4","1","","Kumaraswamy, Sudha; Kumar, K. Senthil; Kumar, N. Satish; Swamy, K. C. Kumara","Addition products of a P(III)-isothiocyanate to dialkyl acetylenedicarboxylates: a spirocyclic phosphinimine and a triphosphorus heterocycle with tetra- and penta-coordinate phosphorus.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1847","1851","10.1039/b502358k","","","0.71073","MoKα","","0.1005","0.0739","","","0.1915","0.2141","","","","","","1.004","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008404","22.9303","0.0018","15.1394","0.0012","18.866","0.0015","90","","90","","90","","6549.4","0.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H42 N O7 P S -","- C32 H42 N O7 P S -","- C256 H336 N8 O56 P8 S8 -","8","1","","Kumaraswamy, Sudha; Kumar, K. Senthil; Kumar, N. Satish; Swamy, K. C. Kumara","Addition products of a P(III)-isothiocyanate to dialkyl acetylenedicarboxylates: a spirocyclic phosphinimine and a triphosphorus heterocycle with tetra- and penta-coordinate phosphorus.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1847","1851","10.1039/b502358k","","","0.71073","MoKα","","0.1215","0.0524","","","0.1121","0.1241","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008405","7.531","0.003","9.359","0.004","11.903","0.005","90.863","0.005","100.588","0.005","99.488","0.005","812.5","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H26 N2 O4 Pt2 S4 -","- C34 H26 N2 O4 Pt2 S4 -","- C34 H26 N2 O4 Pt2 S4 -","1","0.5","","Kovelenov, Yurii A.; Blake, Alexander J.; George, Michael W.; Matousek, Pavel; Mel'nikov, Mikhail Ya; Parker, Anthony W.; Sun, Xue-Zhong; Towrie, Michael; Weinstein, Julia A.","Pt(II) mono-carbonyl complexes of a cyclometallating 2-(2'-thienyl)-(pyridinato-C,3N') ligand: nature and dynamics of the lowest excited state of the chloro- and thiolato-complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2092","2097","10.1039/b502375k","","","0.71073","MoKα","","0.0959","0.0617","","","0.145","0.16","","","","","","1.03","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008406","7.2142","0.0004","11.2764","0.0006","16.3272","0.0008","73.502","0.001","86.635","0.001","77.341","0.001","1242.57","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 O2 P Si2 -","- C23 H37 O2 P Si2 -","- C46 H74 O4 P2 Si4 -","2","1","","Izod, Keith; Young, Jonathan; Clegg, William; Harrington, Ross W.","Effect of peripheral donor substituents on the binding modes of phosphinomethanide ligands. Synthesis and crystal structures of alkali metal derivatives of an O-functionalised phosphinomethanide ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1658","1663","10.1039/b502416a","","","0.71073","MoKα","","0.0499","0.0346","","","0.0868","0.0948","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008407","12.0404","0.0006","9.4535","0.0005","24.4234","0.0012","90","","95.371","0.001","90","","2767.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H74 Br2 Li2 O4 P2 Si4 -","- C46 H74 Br2 Li2 O4 P2 Si4 -","- C92 H148 Br4 Li4 O8 P4 Si8 -","2","0.5","","Izod, Keith; Young, Jonathan; Clegg, William; Harrington, Ross W.","Effect of peripheral donor substituents on the binding modes of phosphinomethanide ligands. Synthesis and crystal structures of alkali metal derivatives of an O-functionalised phosphinomethanide ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1658","1663","10.1039/b502416a","","","0.71073","MoKα","","0.0612","0.0358","","","0.0769","0.0862","","","","","","1.028","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008408","9.235","0.004","11.043","0.004","13.945","0.007","85.58","0.04","80.06","0.04","69.33","0.03","1310.4","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H72 Na2 O4 P2 Si4 -","- C46 H72 Na2 O4 P2 Si4 -","- C46 H72 Na2 O4 P2 Si4 -","1","0.5","","Izod, Keith; Young, Jonathan; Clegg, William; Harrington, Ross W.","Effect of peripheral donor substituents on the binding modes of phosphinomethanide ligands. Synthesis and crystal structures of alkali metal derivatives of an O-functionalised phosphinomethanide ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1658","1663","10.1039/b502416a","","","0.71073","MoKα","","0.0382","0.0318","","","0.0796","0.0834","","","","","","1.042","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008409","11.0925","0.0019","14.177","0.003","16.388","0.003","90","","90","","90","","2577.2","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 K O2 P Si2 -","- C23 H36 K O2 P Si2 -","- C92 H144 K4 O8 P4 Si8 -","4","1","","Izod, Keith; Young, Jonathan; Clegg, William; Harrington, Ross W.","Effect of peripheral donor substituents on the binding modes of phosphinomethanide ligands. Synthesis and crystal structures of alkali metal derivatives of an O-functionalised phosphinomethanide ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1658","1663","10.1039/b502416a","","","0.71073","MoKα","","0.075","0.0495","","","0.0923","0.1019","","","","","","1.071","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008410","11.122","0.001","14.43","0.001","16.248","0.001","90","","90","","90","","2607.6","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 O2 P Rb Si2 -","- C23 H36 O2 P Rb Si2 -","- C92 H144 O8 P4 Rb4 Si8 -","4","1","","Izod, Keith; Young, Jonathan; Clegg, William; Harrington, Ross W.","Effect of peripheral donor substituents on the binding modes of phosphinomethanide ligands. Synthesis and crystal structures of alkali metal derivatives of an O-functionalised phosphinomethanide ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1658","1663","10.1039/b502416a","","","0.71073","MoKα","","0.0657","0.037","","","0.0541","0.0606","","","","","","1.064","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008411","8.3172","0.0019","8.8825","0.0007","8.9558","0.0015","64.176","0.015","86.29","0.02","79.11","0.02","584.72","0.19","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 N4 O14 P4 Zn2 -","- C12 H32 N4 O14 P4 Zn2 -","- C12 H32 N4 O14 P4 Zn2 -","1","0.5","","Groves, John A.; Wright, Paul A.; Lightfoot, Philip","The pH-controlled hydrothermal synthesis and crystal structures of two zinc N,N'-piperazinebis(methylenephosphonate) frameworks.","Dalton transactions (Cambridge, England : 2003)","2005","","11","2007","2010","10.1039/b502417j","","","0.7107","MoKα","","0.043","0.0377","","","0.1049","0.11","","","","","","1.068","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008412","6.2531","0.0004","10.6598","0.0006","8.5163","0.0005","90","","101.426","0.001","90","","556.42","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N2 O6 P2 Zn2 -","- C6 H12 N2 O6 P2 Zn2 -","- C12 H24 N4 O12 P4 Zn4 -","2","0.5","","Groves, John A.; Wright, Paul A.; Lightfoot, Philip","The pH-controlled hydrothermal synthesis and crystal structures of two zinc N,N'-piperazinebis(methylenephosphonate) frameworks.","Dalton transactions (Cambridge, England : 2003)","2005","","11","2007","2010","10.1039/b502417j","","","0.693","","","0.0315","0.0286","","","0.0788","0.0796","","","","","","1.032","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008413","10.672","0.002","11.352","0.002","19.703","0.004","86.43","0.03","76.1","0.03","74.81","0.03","2236.1","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H79 Cl N P2 Ru -","- C44 H79 Cl N P2 Ru -","- C88 H158 Cl2 N2 P4 Ru2 -","2","1","","Stüer, Wolfram; Weberndörfer, Birgit; Wolf, Justin; Werner, Helmut","Preparation of hydrido(vinylidene)ruthenium(II) complexes and a one-pot synthesis of Grubbs-type ruthenium carbenes.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1796","1803","10.1039/b502440d","","","0.71073","MoKα","","0.0955","0.0529","","","0.1168","0.1325","","","","","","0.857","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008414","10.49","0.0002","16.964","0.0003","16.472","0.0003","90","","124.343","0.001","90","","2420.24","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 N4 Ni O4 P2 -","- C60 H40 N4 Ni O4 P2 -","- C120 H80 N8 Ni2 O8 P4 -","2","0.5","","Ottenwaelder, Xavier; Aukauloo, Ally; Journaux, Yves; Carrasco, Rosa; Cano, Joan; Cervera, Beatriz; Castro, Isabel; Curreli, Simona; Muñoz, M Carmen; Roselló, Antonio L; Soto, Bernardino; Ruiz-García, Rafael","Synthesis, structure, spectroscopy and redox chemistry of square-planar nickel(II) complexes with tetradentate o-phenylenedioxamidates and related ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2516","2526","10.1039/b502478a","","","0.71073","MoKα","","0.0925","0.0691","","","0.2051","0.2445","","","","","","0.853","","","","has coordinates","287977","2023-12-04","10:07:20",""
"7008415","14.855","0.002","15.339","0.003","7.779","0.0012","90","","98.631","0.006","90","","1752.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Ca N2 O6 -","- C16 H20 Ca N2 O6 -","- C64 H80 Ca4 N8 O24 -","4","1","","de Lill, Daniel T.; Bozzuto, Daniel J.; Cahill, Christopher L.","Templated metal-organic frameworks: synthesis, structures, thermal properties and solid-state transformation of two novel calcium-adipate frameworks.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2111","2115","10.1039/b502512e","","","0.71073","MoKα","","0.1121","0.0503","","","0.073","0.0869","","","","","","0.829","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008416","16.8008","0.0008","15.0736","0.0007","7.7536","0.0003","90","","99.799","0.003","90","","1934.94","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Ca N2 O6 -","- C18 H24 Ca N2 O6 -","- C72 H96 Ca4 N8 O24 -","4","1","","de Lill, Daniel T.; Bozzuto, Daniel J.; Cahill, Christopher L.","Templated metal-organic frameworks: synthesis, structures, thermal properties and solid-state transformation of two novel calcium-adipate frameworks.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2111","2115","10.1039/b502512e","","","1.54178","CuKα","","0.0354","0.0277","","","0.0687","0.0732","","","","","","1.032","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008417","18.097","0.017","12.469","0.008","15.39","0.01","90","","97.46","0.01","90","","3443","5","383","2","383","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Fe3 N6 O27.32 S3 -","- C12 H30 Fe3 N6 O27.34 S3 -","- C48 H120 Fe12 N24 O109.36 S12 -","4","1","","Shatruk, Mikhail; Chouai, Abdellatif; Prosvirin, Andrey V.; Dunbar, Kim R.","Structural and magnetic properties of iron(II) complexes with 1,4,5,8,9,12-hexaazatriphenylene (HAT).","Dalton transactions (Cambridge, England : 2003)","2005","","11","1897","1902","10.1039/b502567b","","","0.71073","MoKα","","0.11","0.0983","","","0.1992","0.2039","","","","","","1.246","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008418","6.5269","0.0008","29.457","0.004","12.5004","0.0015","90","","91.396","0.002","90","","2402.6","0.5","383","2","383","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12.82 H23.27 Fe2 N6 O15.82 S2 -","- C12.818 H23.272 Fe2 N6 O15.816 S2 -","- C51.272 H93.088 Fe8 N24 O63.264 S8 -","4","1","","Shatruk, Mikhail; Chouai, Abdellatif; Prosvirin, Andrey V.; Dunbar, Kim R.","Structural and magnetic properties of iron(II) complexes with 1,4,5,8,9,12-hexaazatriphenylene (HAT).","Dalton transactions (Cambridge, England : 2003)","2005","","11","1897","1902","10.1039/b502567b","","","0.71073","MoKα","","0.0509","0.0409","","","0.0912","0.0952","","","","","","1.073","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008419","6.4492","0.0005","25.388","0.002","14.1833","0.0011","90","","90.952","0.005","90","","2321.9","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Fe2 N6 O16 S2 -","- C12 H22 Fe2 N6 O16 S2 -","- C48 H88 Fe8 N24 O64 S8 -","4","1","","Shatruk, Mikhail; Chouai, Abdellatif; Prosvirin, Andrey V.; Dunbar, Kim R.","Structural and magnetic properties of iron(II) complexes with 1,4,5,8,9,12-hexaazatriphenylene (HAT).","Dalton transactions (Cambridge, England : 2003)","2005","","11","1897","1902","10.1039/b502567b","","","1.54178","CuKα","","0.0658","0.0443","","","0.1023","0.1144","","","","","","1.062","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008420","7.9876","0.0009","16.123","0.002","17.516","0.002","72.224","0.003","80.061","0.003","80.739","0.003","2101.7","0.4","383","2","383","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40.24 Cl6 Fe3 N6 O9.12 -","- C20 H31.605 Cl6 Fe3 N6 O9.127 -","- C40 H63.21 Cl12 Fe6 N12 O18.254 -","2","1","","Shatruk, Mikhail; Chouai, Abdellatif; Prosvirin, Andrey V.; Dunbar, Kim R.","Structural and magnetic properties of iron(II) complexes with 1,4,5,8,9,12-hexaazatriphenylene (HAT).","Dalton transactions (Cambridge, England : 2003)","2005","","11","1897","1902","10.1039/b502567b","","","0.71073","MoKα","","0.0978","0.0649","","","0.1945","0.2183","","","","","","1.078","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008421","19.342","0.004","11.443","0.002","13.936","0.003","90","","97.82","0.03","90","","3055.8","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N3 Ni O4.5 -","- C17 H11 N3 Ni O4.5 -","- C136 H88 N24 Ni8 O36 -","8","1","","Qin, Chao; Wang, Xin-Long; Li, Yang-Guang; Wang, En-Bo; Su, Zhong-Min; Xu, Lin; Clérac, Rodolphe","Three-dimensional mesomeric networks assembled from helix-linked sheets: syntheses, structures, and magnetisms.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2609","2614","10.1039/b502651b","","","0.71073","MoKα","","0.0961","0.0683","","","0.1336","0.1452","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008422","22.635","0.005","17.286","0.004","10.058","0.002","90","","90","","90","","3935.4","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H35 N4 Ni3 O18.5 -","- C38 H32 N4 Ni3 O18.5 -","- C152 H128 N16 Ni12 O74 -","4","1","","Qin, Chao; Wang, Xin-Long; Li, Yang-Guang; Wang, En-Bo; Su, Zhong-Min; Xu, Lin; Clérac, Rodolphe","Three-dimensional mesomeric networks assembled from helix-linked sheets: syntheses, structures, and magnetisms.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2609","2614","10.1039/b502651b","","","0.71073","MoKα","","0.0388","0.0333","","","0.086","0.0879","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008423","14.032","0.003","11.238","0.002","12.259","0.003","90","","93.85","0.03","90","","1928.8","0.7","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C38 H40 N4 Ni2 O20 -","- C38 H40 N4 Ni2 O20 -","- C76 H80 N8 Ni4 O40 -","2","0.5","","Qin, Chao; Wang, Xin-Long; Li, Yang-Guang; Wang, En-Bo; Su, Zhong-Min; Xu, Lin; Clérac, Rodolphe","Three-dimensional mesomeric networks assembled from helix-linked sheets: syntheses, structures, and magnetisms.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2609","2614","10.1039/b502651b","","","0.71073","MoKα","","0.0587","0.0374","","","0.0804","0.086","","","","","","1.002","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008424","11.8078","0.0009","22.6307","0.0018","13.7604","0.0011","90","","105.464","0.001","90","","3543.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H104 O12 Sn4 Te2 -","- C60 H104 O12 Sn4 Te2 -","- C120 H208 O24 Sn8 Te4 -","2","0.5","","Beckmann, Jens; Dakternieks, Dainis; Duthie, Andrew; Mitchell, Cassandra","The utility of hypercoordination and secondary bonding for the synthesis of a binary organoelement oxo cluster.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1563","1564","10.1039/b502677f","","","0.71073","MoKα","","0.037","0.032","","","0.0741","0.0764","","","","","","1.079","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008425","19.2046","0.0002","17.4577","0.0002","24.2007","0.0003","90","","101.637","0.0006","90","","7946.95","0.16","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Ag4 Au Cl4 F21 N2 O10 -","- C54 H72 Ag4 Au Cl4 F21 N2 O10 -","- C216 H288 Ag16 Au4 Cl16 F84 N8 O40 -","4","1","","Fernandez, Eduardo J.; Laguna, Antonio; Lopez-de-Luzuriaga, Jose M; Monge, Miguel; Montiel, Manuel; Olmos, M. Elena; Perez, Javier; Puelles, Raquel C.; Saenz, Juan C.","A step forward in gold-silver metallophilicity. An AuAg4 moiety with a square pyramidal arrangement.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1162","1164","10.1039/b502701m","","","0.71073","MoKα","","0.0731","0.0512","","","0.1346","0.1492","","","","","","1.046","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008426","9.482","0.002","14.275","0.005","9.753","0.002","90","","93.49","0.02","90","","1317.7","0.6","294","1","294","1","","","","","","","synthesized by the authors, see text","6","P 1 c 1","P -2yc","7","","","","- C23 H29 B6 P Ru S2 -","- C23 H29 B6 P Ru S2 -","- C46 H58 B12 P2 Ru2 S4 -","2","1","","Ferguson, George; Gallagher, John F.; Kennedy, John D.; McCarthy, Donogh M.; Spalding, Trevor R.","Coordination and cluster compounds of ruthenium with the [hypho-1,2-S2B6H9]- ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1979","1984","10.1039/b502846a","","","0.71073","MolybdenumKα","","0.0421","0.0348","","","0.0863","0.0896","","","","","","0.997","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008427","11.0113","0.0009","18.7264","0.0016","19.84","0.002","90","","95.546","0.01","90","","4071.9","0.6","294","1","294","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H44 B6 P2 Ru S2 -","- C41 H44 B6 P2 Ru S2 -","- C164 H176 B24 P8 Ru4 S8 -","4","1","","Ferguson, George; Gallagher, John F.; Kennedy, John D.; McCarthy, Donogh M.; Spalding, Trevor R.","Coordination and cluster compounds of ruthenium with the [hypho-1,2-S2B6H9]- ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1979","1984","10.1039/b502846a","","","0.71073","MoKα","","0.0908","0.0418","","","0.0874","0.0974","","","","","","0.952","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008428","11.043","0.001","10.1578","0.0007","24.528","0.002","90","","94.168","0.007","90","","2744.1","0.4","294","1","294","1","","","","","","","synthesized by the authors, see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 B6 P Ru S2 -","- C23 H33 B6 P Ru S2 -","- C92 H132 B24 P4 Ru4 S8 -","4","1","","Ferguson, George; Gallagher, John F.; Kennedy, John D.; McCarthy, Donogh M.; Spalding, Trevor R.","Coordination and cluster compounds of ruthenium with the [hypho-1,2-S2B6H9]- ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1979","1984","10.1039/b502846a","","","0.71073","MolybdenumKα","","0.0898","0.0432","","","0.1036","0.1255","","","","","","0.986","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008429","13.981","0.001","7.24","0.001","12.209","0.001","90","","90","","90","","1235.8","0.2","143","2","143","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H9 Au Br5 P -","- C3 H10 Au Br5 P -","- C12 H40 Au4 Br20 P4 -","4","0.5","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Bromination of (phosphine)gold(I) bromide complexes: stoichiometry and structure of products.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1940","1947","10.1039/b502861b","","","0.71073","MoKα","","0.0258","0.0254","","","0.0613","0.0614","","","","","","1.238","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008430","8.5738","0.0002","15.1158","0.0003","14.0133","0.0003","90","","96.608","0.001","90","","1804.06","0.07","143","2","143","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H21 Au Br5 P -","- C9 H21 Au Br5 P -","- C36 H84 Au4 Br20 P4 -","4","1","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Bromination of (phosphine)gold(I) bromide complexes: stoichiometry and structure of products.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1940","1947","10.1039/b502861b","","","0.71073","MoKα","","0.0277","0.0274","","","0.0676","0.0679","","","","","","1.081","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008431","8.2777","0.0002","8.6329","0.0002","21.4606","0.0005","82.481","0.001","88.896","0.001","85.963","0.001","1516.55","0.06","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Au Br5 P -","- C27 H33 Au Br5 P -","- C54 H66 Au2 Br10 P2 -","2","1","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Bromination of (phosphine)gold(I) bromide complexes: stoichiometry and structure of products.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1940","1947","10.1039/b502861b","","","0.71073","MoKα","","0.0363","0.0317","","","0.0789","0.0815","","","","","","1.061","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008432","8.6524","0.0003","8.9391","0.0003","11.6377","0.0004","82.4755","0.0013","74.3263","0.0017","88.7371","0.0014","859.1","0.05","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H54 Au Br5 P2 -","- C24 H54 Au Br5 P2 -","- C24 H54 Au Br5 P2 -","1","0.5","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Bromination of (phosphine)gold(I) bromide complexes: stoichiometry and structure of products.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1940","1947","10.1039/b502861b","","","0.71073","MoKα","","0.0465","0.0448","","","0.1281","0.1298","","","","","","1.104","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008433","7.7199","0.0001","23.7025","0.0004","15.9063","0.0002","90","","116.252","0.0009","90","","2610.35","0.07","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 Au I4 P -","- C3 H9 Au I4 P -","- C24 H72 Au8 I32 P8 -","8","2","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Bromination of (phosphine)gold(I) bromide complexes: stoichiometry and structure of products.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1940","1947","10.1039/b502861b","","","0.71073","MoKα","","0.0399","0.0398","","","0.1076","0.1076","","","","","","1.24","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008434","8.5107","0.0001","35.9228","0.0004","15.5325","0.0002","90","","95.2154","0.0004","90","","4729.06","0.1","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Au Br3 P -","- C21 H21 Au Br3 P -","- C168 H168 Au8 Br24 P8 -","8","2","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Bromination of (phosphine)gold(I) bromide complexes: stoichiometry and structure of products.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1940","1947","10.1039/b502861b","","","0.71073","MoKα","","0.0372","0.0347","","","0.0832","0.0847","","","","","","1.106","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008435","7.2152","0.0002","11.5571","0.0003","23.8166","0.0008","90","","90","","90","","1985.99","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N2 P -","- C22 H25 N2 P -","- C88 H100 N8 P4 -","4","1","","Lee, Wei-Ying; Liang, Lan-Chang","Organoaluminium complexes incorporating an amido phosphine chelate with a pendant amine arm.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1952","1956","10.1039/b502873f","","","0.71073","MoKα","","0.0844","0.0537","","","0.1314","0.1669","","","","","","1.1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008436","11.1571","0.0001","13.1017","0.0002","20.6768","0.0003","73.4062","0.0005","89.8788","0.0006","78.4122","0.0006","2832.64","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 Al N2 P -","- C30 H42 Al N2 P -","- C120 H168 Al4 N8 P4 -","4","2","","Lee, Wei-Ying; Liang, Lan-Chang","Organoaluminium complexes incorporating an amido phosphine chelate with a pendant amine arm.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1952","1956","10.1039/b502873f","","","0.71073","MoKα","","0.0834","0.0558","","","0.1443","0.1776","","","","","","1.054","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008437","9.9523","0.0002","11.1101","0.0003","11.7142","0.0003","80.2789","0.0009","74.9271","0.0009","65.7727","0.0009","1137.69","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Al N2 P -","- C24 H30 Al N2 P -","- C48 H60 Al2 N4 P2 -","2","1","","Lee, Wei-Ying; Liang, Lan-Chang","Organoaluminium complexes incorporating an amido phosphine chelate with a pendant amine arm.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1952","1956","10.1039/b502873f","","","0.71073","MoKα","","0.0848","0.0501","","","0.1309","0.1589","","","","","","1.054","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008438","9.262","0.0003","29.0657","0.0014","9.8432","0.0005","90","","111.149","0.003","90","","2471.4","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Al N2 P -","- C26 H34 Al N2 P -","- C104 H136 Al4 N8 P4 -","4","1","","Lee, Wei-Ying; Liang, Lan-Chang","Organoaluminium complexes incorporating an amido phosphine chelate with a pendant amine arm.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1952","1956","10.1039/b502873f","","","0.71073","MoKα","","0.1146","0.0695","","","0.1691","0.1921","","","","","","1.036","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008439","6.9317","0.0006","9.0964","0.0008","11.0059","0.001","90","","92.263","0.001","90","","693.42","0.11","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.044","0.0414","","","0.1061","0.1086","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008440","21.853","0.004","8.4566","0.0017","3.827","0.0008","90","","90","","90","","707.2","0.2","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","3pypz","","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.1035","0.0494","","","0.0976","0.1203","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008441","15.009","0.002","5.8998","0.0009","16.526","0.003","90","","91.308","0.003","90","","1463","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3pypz polymorph II","","","- C8 H7 N3 -","- C8 H7 N3 -","- C64 H56 N24 -","8","2","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.1082","0.0468","","","0.0994","0.12","","","","","","0.902","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008442","8.1673","0.0013","16.983","0.003","27.131","0.004","90","","92.016","0.003","90","","3760.9","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 B2 Cl2 N12 Tl2 -","- C33 H30 B2 Cl2 N12 Tl2 -","- C132 H120 B8 Cl8 N48 Tl8 -","4","1","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.1265","0.0571","","","0.1205","0.1474","","","","","","1.018","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008443","9.2506","0.0013","12.3819","0.0017","19.887","0.003","90","","94.968","0.002","90","","2269.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 B N9 Tl -","- C24 H19 B N9 Tl -","- C96 H76 B4 N36 Tl4 -","4","1","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.0322","0.0263","","","0.0631","0.0659","","","","","","1.027","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008444","8.1323","0.0003","11.8362","0.0003","35.6666","0.0008","90","","90","","90","","3433.11","0.17","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","TlTkp4py","","","- C34 H32 B N12 O2 Tl -","- C34 H30 B N12 O2 Tl -","- C136 H120 B4 N48 O8 Tl4 -","4","1","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.0772","0.048","","","0.096","0.1069","","","","","","1","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008445","11.0693","0.0001","11.6639","0.0002","13.9684","0.0002","84.381","0.001","72.825","0.001","70.132","0.001","1620.49","0.04","123","2","123","2","","","","","","","","6","P -1","-P 1","2","TlTkp3py","","","- C32 H26 B N12 O Tl -","- C32 H24 B N12 O Tl -","- C64 H48 B2 N24 O2 Tl2 -","2","1","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.032","0.028","","","0.0719","0.0739","","","","","","1.085","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008446","14.47","0.003","9.7387","0.0017","17.593","0.003","90","","112.583","0.003","90","","2289.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 B Cu N9 -","- C24 H19 B Cu N9 -","- C96 H76 B4 Cu4 N36 -","4","1","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.0995","0.0488","","","0.1029","0.122","","","","","","0.999","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008447","14.468","0.002","14.468","0.002","8.0751","0.0016","90","","90","","120","","1463.8","0.4","120","2","120","2","","","","","","","","6","P 63","P 6c","173","","","","- C27 H19 B N9 O3 Re -","- C27 H19 B N9 O3 Re -","- C54 H38 B2 N18 O6 Re2 -","2","0.333333","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.0995","0.0702","","","0.1587","0.1715","","","","","","1.051","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008448","11.364","0.003","11.364","0.003","11.951","0.003","90","","90","","120","","1336.6","0.6","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C27 H20 B N9 O3.5 Re -","- C27 H19 B N9 O3.5 Re -","- C54 H38 B2 N18 O7 Re2 -","2","0.333333","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.0381","0.0272","","","0.0617","0.0644","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008449","9.5334","0.0013","13.7358","0.0018","13.8959","0.0019","70.983","0.002","84.41","0.002","70.248","0.002","1619","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H32.5 B Cd N10.5 O3.5 -","- C30.5 H32.5 B Cd N10.5 O3.5 -","- C61 H65 B2 Cd2 N21 O7 -","2","1","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.0864","0.0524","","","0.1198","0.1326","","","","","","0.975","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008450","10.401","0.002","19.256","0.004","10.599","0.002","90","","91.23","0.03","90","","2122.3","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ni(Tp3py)2","","","- C48 H38 B2 N18 Ni -","- C48 H38 B2 N18 Ni -","- C96 H76 B4 N36 Ni2 -","2","0.5","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.0433","0.0311","","","0.0678","0.0722","","","","","","1.043","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008451","13.2535","0.0002","14.0184","0.0003","14.1607","0.0003","87.643","0.001","68.305","0.001","62.109","0.001","2132.62","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","AgTkp4py.3DMF","","","- C41 H45 Ag B N15 O3 -","- C41 H42 Ag B N15 O3 -","- C82 H84 Ag2 B2 N30 O6 -","2","1","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.0747","0.0598","","","0.1578","0.1691","","","","","","1.069","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008452","22.0217","0.0003","8.7854","0.0005","24.7704","0.001","90","","90.045","0.003","90","","4792.3","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl2 N3 P Pt -","- C24 H26 Cl2 N3 P Pt -","- C192 H208 Cl16 N24 P8 Pt8 -","8","1","","Bokach, Nadezhda A.; Kukushkin, Vadim Yu; Kelly, Paul F.; Haukka, Matti; Pombeiro, Armando J. L.","The first examples of metal-mediated addition of a phosphorus imine to nitriles; the preparation and X-ray crystal structures of [PtCl4{NH=C(Et)N=PPh3}2] and [PtCl2(EtCN){NH=C(Et)N[double bond, length as m-dash]PPh3}].","Dalton transactions (Cambridge, England : 2003)","2005","","8","1354","1356","10.1039/b502970h","","","0.71073","MoKα","","0.0494","0.0325","","","0.0625","0.0675","","","","","","1.035","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008453","10.121","0.0002","13.7987","0.0004","15.6217","0.0004","73.89","0.001","86.897","0.002","89.625","0.002","2092.85","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Cl4 N4 P2 Pt -","- C42 H42 Cl4 N4 P2 Pt -","- C84 H84 Cl8 N8 P4 Pt2 -","2","1","","Bokach, Nadezhda A.; Kukushkin, Vadim Yu; Kelly, Paul F.; Haukka, Matti; Pombeiro, Armando J. L.","The first examples of metal-mediated addition of a phosphorus imine to nitriles; the preparation and X-ray crystal structures of [PtCl4{NH=C(Et)N=PPh3}2] and [PtCl2(EtCN){NH=C(Et)N[double bond, length as m-dash]PPh3}].","Dalton transactions (Cambridge, England : 2003)","2005","","8","1354","1356","10.1039/b502970h","","","0.71073","MoKα","","0.0468","0.0301","","","0.0695","0.0761","","","","","","1.065","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008454","12.783","0.0004","14.535","0.0004","19.676","0.0004","90","","102.532","0.001","90","","3568.72","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Cl2 Cu N4 O4 S6 -","- C25 H36 Cl2 Cu N4 O4 S6 -","- C100 H144 Cl8 Cu4 N16 O16 S24 -","4","1","","Hogarth, Graeme; Holman, K. Travis; Pateman, Andrew; Sella, Andrea; Steed, Jonathan W.; Richards, Idris","Multiple nitrene insertions into metal-sulfur bonds of dithiocarbamate complexes: synthesis of sulfido-amido and zwitterionic tetraamido complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2688","2695","10.1039/b503004h","","","0.7107","MoKα","","0.0601","0.049","","","0.1303","0.1386","","","","","","1.048","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008455","12.8318","0.0004","14.6975","0.0004","19.5611","0.0005","90","","99.579","0.001","90","","3637.7","0.18","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Cl3 N4 Ni O4 S6 -","- C25 H35 Cl3 N4 Ni O4 S6 -","- C100 H140 Cl12 N16 Ni4 O16 S24 -","4","1","","Hogarth, Graeme; Holman, K. Travis; Pateman, Andrew; Sella, Andrea; Steed, Jonathan W.; Richards, Idris","Multiple nitrene insertions into metal-sulfur bonds of dithiocarbamate complexes: synthesis of sulfido-amido and zwitterionic tetraamido complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2688","2695","10.1039/b503004h","","","0.7107","MoKα","","0.0799","0.0667","","","0.182","0.1936","","","","","","1.066","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008456","15.4966","0.0013","12.7398","0.0007","24.914","0.002","90","","91.214","0.001","90","","4917.5","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","cobisamid","","","- C38 H48.5 Co N6 O8.25 S8 -","- C38 H48 Co N6 O8.25 S8 -","- C152 H192 Co4 N24 O33 S32 -","4","1","","Hogarth, Graeme; Holman, K. Travis; Pateman, Andrew; Sella, Andrea; Steed, Jonathan W.; Richards, Idris","Multiple nitrene insertions into metal-sulfur bonds of dithiocarbamate complexes: synthesis of sulfido-amido and zwitterionic tetraamido complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2688","2695","10.1039/b503004h","","","0.7107","MoKα","","0.1182","0.0641","","","0.1272","0.1516","","","","","","1.033","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008457","12.144","0.002","40.776","0.007","8.353","0.0015","90","","90","","90","","4136.3","1.2","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C48 H34 Cd N12 O2 -","- C48 H34 Cd N12 O2 -","- C192 H136 Cd4 N48 O8 -","4","","","Ye, Qiong; Tang, Yu-Zhi; Wang, Xi-Sen; Xiong, Ren-Gen","Strong enhancement of second-harmonic generation (SHG) response through multi-chiral centers and metal-coordination.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1570","1573","10.1039/b503039k","","","0.71073","MoKα","","0.0989","0.0693","","","0.1418","0.1524","","","","","","1.113","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008458","15.288","0.001","14.317","0.001","20.788","0.001","90","","107","0.01","90","","4351.2","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 Cl3 F10 N6 O6 Pd2 -","- C33 H41 Cl3 F10 N6 O6 Pd2 -","- C132 H164 Cl12 F40 N24 O24 Pd8 -","4","1","","Ruiz, José; Vicente, Consuelo; Cutillas, Natalia; Pérez, José","Pentafluorophenyl imidato palladium(II) complexes: catalysts for Suzuki cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1999","2006","10.1039/b503101j","","","0.71073","MoKα","","0.074","0.045","","","0.1154","0.1309","","","","","","0.774","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008459","10.3563","0.0005","41.962","0.0018","24.423","0.0011","90","","97.77","0.01","90","","10516.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 F5 N3 O6 Pd -","- C30 H48 F5 N3 O6 Pd -","- C360 H576 F60 N36 O72 Pd12 -","12","3","","Ruiz, José; Vicente, Consuelo; Cutillas, Natalia; Pérez, José","Pentafluorophenyl imidato palladium(II) complexes: catalysts for Suzuki cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1999","2006","10.1039/b503101j","","","0.71073","MoKα","","0.0892","0.0853","","","0.1775","0.1796","","","","","","1.277","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008460","10.1604","0.0005","10.3459","0.0005","20.501","0.001","82.113","0.001","80.426","0.001","69.3144","0.0008","1980.82","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H57 F5 N4 O6 Pd -","- C35 H57 F5 N4 O6 Pd -","- C70 H114 F10 N8 O12 Pd2 -","2","1","","Ruiz, José; Vicente, Consuelo; Cutillas, Natalia; Pérez, José","Pentafluorophenyl imidato palladium(II) complexes: catalysts for Suzuki cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1999","2006","10.1039/b503101j","","","0.71073","MoKα","","0.0565","0.0488","","","0.117","0.1238","","","","","","0.861","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008461","12.447","0.001","19.213","0.002","33.768","0.003","90","","90","","90","","8075.4","1.3","100","1","100","1","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C40 H64 Mg N2 O6 -","- C40 H64 Mg N2 O6 -","- C320 H512 Mg8 N16 O48 -","8","2","","Ejfler, Jolanta; Kobyłka, Michał; Jerzykiewicz, Lucjan B.; Sobota, Piotr","Highly efficient magnesium initiators for lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2005","","11","2047","2050","10.1039/b503134f","","x-ray","1.5418","CuKα","","0.0695","0.0385","","","0.0435","0.0652","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008462","12.839","0.002","17.753","0.003","18.532","0.003","84.699","0.004","71.771","0.003","82.569","0.004","3972.3","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Cl3 Co2 N5 O17 -","- C28 H44 Cl3 Co2 N5 O17 -","- C112 H176 Cl12 Co8 N20 O68 -","4","2","","Vaiana, Lea; Platas-Iglesias, Carlos; Esteban-Gómez, David; Avecilla, Fernando; Clemente-Juan, Juan Modesto; Real, José Antonio; de Blas, Andrés; Rodríguez-Blas, Teresa","Designing binuclear transition metal complexes: a new example of the versatility of N,N'-bis(2-aminobenzyl)-4,13-diaza-18-crown-6.","Dalton transactions (Cambridge, England : 2003)","2005","","11","2031","2037","10.1039/b503151f","","","0.71073","MoKα","","0.1831","0.0563","","","0.136","0.1907","","","","","","0.891","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008463","11.032","0.002","11.376","0.003","11.665","0.002","86.993","0.004","65.913","0.004","81.707","0.004","1322.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H58 Cl4 N10 Ni2 O20 -","- C38 H58 Cl4 N10 Ni2 O20 -","- C38 H58 Cl4 N10 Ni2 O20 -","1","0.5","","Vaiana, Lea; Platas-Iglesias, Carlos; Esteban-Gómez, David; Avecilla, Fernando; Clemente-Juan, Juan Modesto; Real, José Antonio; de Blas, Andrés; Rodríguez-Blas, Teresa","Designing binuclear transition metal complexes: a new example of the versatility of N,N'-bis(2-aminobenzyl)-4,13-diaza-18-crown-6.","Dalton transactions (Cambridge, England : 2003)","2005","","11","2031","2037","10.1039/b503151f","","","0.71073","MoKα","","0.1044","0.0584","","","0.1476","0.1704","","","","","","1.008","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008464","8.189","0.003","23.512","0.009","17.625","0.007","90","","97.054","0.002","90","","3368","2","293.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H35 B N7 Rh Te2 -","- C29 H35 B N7 Rh Te2 -","- C116 H140 B4 N28 Rh4 Te8 -","4","1","","Nagao, Shoken; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Preparation of chalcogenolato-bridged dinuclear Tp*Rh-Cp*Ru complexes (Tp*= hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp*=eta(5)-pentamethylcyclopentadienyl) and binding of dioxygen to their Ru sites.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3166","3172","10.1039/b503153m","","","0.7107","MoKα","","","0.05","","","","0.163","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008465","11.055","0.002","19.403","0.003","22.302","0.003","90","","90.8538","0.0007","90","","4783.3","1.3","293.1","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 B Cl N7 O Rh Ru S2 -","- C43 H58 B Cl N7 O Rh Ru S2 -","- C172 H232 B4 Cl4 N28 O4 Rh4 Ru4 S8 -","4","1","","Nagao, Shoken; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Preparation of chalcogenolato-bridged dinuclear Tp*Rh-Cp*Ru complexes (Tp*= hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp*=eta(5)-pentamethylcyclopentadienyl) and binding of dioxygen to their Ru sites.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3166","3172","10.1039/b503153m","","","0.7107","MoKα","","","0.042","","","","0.134","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008466","12.159","0.002","13.757","0.002","18.045","0.002","72.811","0.005","78.756","0.006","78.868","0.006","2798.5","0.7","293.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C49.5 H71 B Cl N7 O2.625 Rh Ru Se2 -","- C49.5 H71 B Cl N7 O2.625 Rh Ru Se2 -","- C99 H142 B2 Cl2 N14 O5.25 Rh2 Ru2 Se4 -","2","1","","Nagao, Shoken; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Preparation of chalcogenolato-bridged dinuclear Tp*Rh-Cp*Ru complexes (Tp*= hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp*=eta(5)-pentamethylcyclopentadienyl) and binding of dioxygen to their Ru sites.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3166","3172","10.1039/b503153m","","","0.7107","MoKα","","","0.043","","","","0.134","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008467","12.797","0.005","17.828","0.006","20.634","0.008","90","","106.032","0.002","90","","4524","3","293.1","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 B Cl N6 O Rh Ru S2 -","- C41 H47 B Cl N6 O Rh Ru S2 -","- C164 H188 B4 Cl4 N24 O4 Rh4 Ru4 S8 -","4","1","","Nagao, Shoken; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Preparation of chalcogenolato-bridged dinuclear Tp*Rh-Cp*Ru complexes (Tp*= hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp*=eta(5)-pentamethylcyclopentadienyl) and binding of dioxygen to their Ru sites.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3166","3172","10.1039/b503153m","","","0.7107","MoKα","","","0.048","","","","0.156","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008468","11.2271","0.0007","19.3709","0.0013","20.1713","0.0013","90","","92.029","0.003","90","","4384.1","0.5","293.1","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 B Cl N6 O3 Rh Ru S2 -","- C41 H55 B Cl N6 O3 Rh Ru S2 -","- C164 H220 B4 Cl4 N24 O12 Rh4 Ru4 S8 -","4","1","","Nagao, Shoken; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Preparation of chalcogenolato-bridged dinuclear Tp*Rh-Cp*Ru complexes (Tp*= hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp*=eta(5)-pentamethylcyclopentadienyl) and binding of dioxygen to their Ru sites.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3166","3172","10.1039/b503153m","","","0.7107","MoKα","","","0.039","","","","0.103","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008469","11.233","0.002","19.361","0.003","20.392","0.003","90","","92.5895","0.0007","90","","4430.4","1.2","293.1","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 B Cl N6 O3 Rh Ru Se2 -","- C41 H55 B Cl N6 O3 Rh Ru Se2 -","- C164 H220 B4 Cl4 N24 O12 Rh4 Ru4 Se8 -","4","1","","Nagao, Shoken; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Preparation of chalcogenolato-bridged dinuclear Tp*Rh-Cp*Ru complexes (Tp*= hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp*=eta(5)-pentamethylcyclopentadienyl) and binding of dioxygen to their Ru sites.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3166","3172","10.1039/b503153m","","","0.7107","MoKα","","","0.045","","","","0.139","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008470","11.439","0.002","12.02","0.002","32.913","0.007","90","","96.291","0.0008","90","","4498.2","1.4","293.1","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 B Cl N6 O3 Rh Ru Te2 -","- C41 H55 B Cl N6 O3 Rh Ru Te2 -","- C164 H220 B4 Cl4 N24 O12 Rh4 Ru4 Te8 -","4","1","","Nagao, Shoken; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Preparation of chalcogenolato-bridged dinuclear Tp*Rh-Cp*Ru complexes (Tp*= hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp*=eta(5)-pentamethylcyclopentadienyl) and binding of dioxygen to their Ru sites.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3166","3172","10.1039/b503153m","","","0.7107","MoKα","","","0.037","","","","0.114","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008471","12.985","0.001","7.7217","0.0006","15.383","0.001","90","","92.508","0.007","90","","1540.9","0.2","173","","173","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","disodium ferrocenylphosphonate pentahydrate","disodium ferrocenylphosphonate pentahydrate","","- C10 H19 Fe Na2 O8 P -","- C10 H19 Fe Na2 O8 P -","- C40 H76 Fe4 Na8 O32 P4 -","4","1","","Oms, Olivier; van der Lee, Arie; Le Bideau, Jean; Leclercq, Dominique","Redox-active pH-responsive molecules: ferrocenylphosphonic acid, ferrocenylmethylphosphonic acid and 1,1'-ferrocenylbisphosphonic acid. Structural determination of FcPO3Na2.5H2O.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1903","1909","10.1039/b503193a","","","0.71073","MoKα","","0.0588","0.0328","","0.0373","0.0326","0.0326","","","","","","1.1089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008472","7.1253","0.0019","8.692","0.002","12.824","0.004","87.336","0.014","87.729","0.016","67.391","0.014","732.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H21 B10 Co -","- C10 H21 B10 Co -","- C20 H42 B20 Co2 -","2","1","","McIntosh, Ruaraidh; Ellis, David; Gil-Lostes, Javier; Dalby, Kelly J.; Rosair, Georgina M.; Welch, Alan J.","The synthesis and characterisation of 4,1,2-MC2B10 metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1842","1846","10.1039/b503214h","","","0.71073","MoKα","","0.0562","0.0352","","","0.0902","0.1025","","","","","","0.946","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008473","8.2728","0.0017","14.678","0.003","15.693","0.003","90","","90","","90","","1905.6","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H30 B10 Ru -","- C15 H30 B10 Ru -","- C60 H120 B40 Ru4 -","4","1","","McIntosh, Ruaraidh; Ellis, David; Gil-Lostes, Javier; Dalby, Kelly J.; Rosair, Georgina M.; Welch, Alan J.","The synthesis and characterisation of 4,1,2-MC2B10 metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1842","1846","10.1039/b503214h","","","0.71073","MoKα","","0.0207","0.0194","","","0.0444","0.0447","","","","","","1.009","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008474","16.063","0.004","18.802","0.006","9.882","0.002","90","","100.35","0.009","90","","2936","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 B10 P2 Pt -","- C26 H38 B10 P2 Pt -","- C104 H152 B40 P8 Pt4 -","4","1","","McIntosh, Ruaraidh; Ellis, David; Gil-Lostes, Javier; Dalby, Kelly J.; Rosair, Georgina M.; Welch, Alan J.","The synthesis and characterisation of 4,1,2-MC2B10 metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1842","1846","10.1039/b503214h","","","0.71073","MoKα","","0.0765","0.0451","","","0.1053","0.1179","","","","","","0.992","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008475","10.403","0.0012","16.4829","0.0012","20.251","0.002","90","","92.788","0.004","90","","3468.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 B10 Cl2 Ni P2 -","- C32 H42 B10 Cl2 Ni P2 -","- C128 H168 B40 Cl8 Ni4 P8 -","4","1","","McIntosh, Ruaraidh; Ellis, David; Gil-Lostes, Javier; Dalby, Kelly J.; Rosair, Georgina M.; Welch, Alan J.","The synthesis and characterisation of 4,1,2-MC2B10 metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1842","1846","10.1039/b503214h","","","0.71073","MoKα","","0.0981","0.0497","","","0.1264","0.1617","","","","","","0.889","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008476","10.982","0.002","13.361","0.003","14.624","0.003","90","","105.488","0.003","90","","2067.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Cl2 Cu N8 O14 -","- C36 H40 Cl2 Cu N8 O14 -","- C72 H80 Cl4 Cu2 N16 O28 -","2","0.5","","Bishop, Michael M.; Lindoy, Leonard F.; Parkin, Andrew; Turner, Peter","Towards a system for the systematic structural study of intermolecular interactions in crystals of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2563","2571","10.1039/b503381k","","","0.71073","MoKα","","0.0309","0.0278","","","0.0742","0.0754","","","","","","1.367","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008477","12.366","0.003","14.299","0.003","19.892","0.004","90","","105.054","0.003","90","","3396.6","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cu N8 O5 S -","- C36 H36 Cu N8 O5 S -","- C144 H144 Cu4 N32 O20 S4 -","4","1","","Bishop, Michael M.; Lindoy, Leonard F.; Parkin, Andrew; Turner, Peter","Towards a system for the systematic structural study of intermolecular interactions in crystals of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2563","2571","10.1039/b503381k","","","0.71073","MoKα","","0.0682","0.0379","","","0.0742","0.0795","","","","","","1.121","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008478","9.992","0.003","10.823","0.003","11.164","0.003","74.218","0.004","71.368","0.004","66.793","0.004","1036.6","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cu N10 O4 S2 -","- C40 H48 Cu N10 O4 S2 -","- C40 H48 Cu N10 O4 S2 -","1","0.5","","Bishop, Michael M.; Lindoy, Leonard F.; Parkin, Andrew; Turner, Peter","Towards a system for the systematic structural study of intermolecular interactions in crystals of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2563","2571","10.1039/b503381k","","","0.71073","MoKα","","0.0418","0.0355","","","0.0855","0.0875","","","","","","1.197","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008479","9.927","0.002","10.814","0.002","11.116","0.003","73.819","0.004","71.65","0.003","66.708","0.003","1023.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 N10 Ni O4 S2 -","- C40 H48 N10 Ni O4 S2 -","- C40 H48 N10 Ni O4 S2 -","1","0.5","","Bishop, Michael M.; Lindoy, Leonard F.; Parkin, Andrew; Turner, Peter","Towards a system for the systematic structural study of intermolecular interactions in crystals of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2563","2571","10.1039/b503381k","","","0.71073","MoKα","","0.0454","0.041","","","0.0998","0.1012","","","","","","1.394","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008480","11.694","0.0013","7.372","0.0008","23.655","0.003","90","","94.63","0.002","90","","2032.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 Cl2 Cu N6 O9 S -","- C11 H20 Cl2 Cu N6 O9 S -","- C44 H80 Cl8 Cu4 N24 O36 S4 -","4","1","","Bishop, Michael M.; Lindoy, Leonard F.; Parkin, Andrew; Turner, Peter","Towards a system for the systematic structural study of intermolecular interactions in crystals of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2563","2571","10.1039/b503381k","","","0.71073","MoKα","","0.0365","0.0287","","","0.0732","0.0756","","","","","","1.296","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008481","8.6598","0.0003","9.8301","0.0004","10.0256","0.0004","102.016","0.002","98.708","0.002","100.635","0.002","804.25","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 Cu N8 O5 -","- C35 H34 Cu N8 O5 -","- C35 H34 Cu N8 O5 -","1","0.5","","Bishop, Michael M.; Lindoy, Leonard F.; Parkin, Andrew; Turner, Peter","Towards a system for the systematic structural study of intermolecular interactions in crystals of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2563","2571","10.1039/b503381k","","","0.71073","MoKα","","0.0464","0.0358","","","0.0856","0.0906","","","","","","1.033","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008482","15.8052","0.0009","16.17","0.001","16.6035","0.001","90","","111.955","0.003","90","","3935.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cu N8 O6 S2 -","- C38 H42 Cu N8 O6 S2 -","- C152 H168 Cu4 N32 O24 S8 -","4","1","","Bishop, Michael M.; Lindoy, Leonard F.; Parkin, Andrew; Turner, Peter","Towards a system for the systematic structural study of intermolecular interactions in crystals of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2563","2571","10.1039/b503381k","","","0.71073","MoKα","","0.0924","0.0473","","","0.0958","0.1106","","","","","","1.002","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008483","42.934","0.008","20.209","0.004","28.592","0.006","90","","127.482","0.013","90","","19686","8","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H154 Mg2 N11 Ti6 -","- C81 H119 Mg2 N11 Ti6 -","- C648 H952 Mg16 N88 Ti48 -","8","1","","Martín, Avelino; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Amido-bridged double-cube nitrido complexes containing titanium and magnesium/calcium.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2116","2119","10.1039/b503405a","","x-ray","0.71073","MoKα","","0.1354","0.0668","","","0.1685","0.1877","","","","","","0.968","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008484","11.794","0.003","14.5321","0.0014","27.051","0.005","81.026","0.01","87.913","0.015","69.379","0.009","4285.3","1.4","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C92 H134 Ca2 N10 Ti6 -","- C78 H118 Ca2 N10 Ti6 -","- C156 H236 Ca4 N20 Ti12 -","2","1","","Martín, Avelino; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Amido-bridged double-cube nitrido complexes containing titanium and magnesium/calcium.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2116","2119","10.1039/b503405a","","x-ray","0.71073","MoKα","","0.1182","0.0611","","","0.1481","0.1681","","","","","","0.961","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008485","8.679","0.003","21.728","0.004","20.71","0.004","90","","91.06","0.02","90","","3904.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[(fac-tris(dimethylsulfoxide,S)-aquo-(mu-cyclobutane-1,1-dicarboxylato,O,O') -ruthenium(II)]","","- C24 H52 O16 Ru2 S6 -","- C24 H52 O16 Ru2 S6 -","- C96 H208 O64 Ru8 S24 -","4","1","","Bratsos, Ioannis; Zangrando, Ennio; Serli, Barbara; Katsaros, Nikos; Alessio, Enzo","The unprecedented bridging coordination mode of 1,1-cyclobutane dicarboxylate (mu-cbdc-O,O') stabilized by intramolecular hydrogen bonds in ruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3881","3885","10.1039/b503412d","","","0.71073","Mokα","","0.0493","0.0331","","","0.0777","0.0816","","","","","","0.918","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008486","11.132","0.003","11.097","0.004","11.975","0.004","94.01","0.03","102.58","0.03","119.68","0.03","1226.5","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","bis[tris(dimethylsulfoxide,S)-amino-(mu-cyclobutane-1,1-dicarboxylato) -ruthenium(II)] methanol solvated","","- C27 H66 N2 O17 Ru2 S6 -","- C27 H66 N2 O17 Ru2 S6 -","- C27 H66 N2 O17 Ru2 S6 -","1","0.5","","Bratsos, Ioannis; Zangrando, Ennio; Serli, Barbara; Katsaros, Nikos; Alessio, Enzo","The unprecedented bridging coordination mode of 1,1-cyclobutane dicarboxylate (mu-cbdc-O,O') stabilized by intramolecular hydrogen bonds in ruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3881","3885","10.1039/b503412d","","","0.71073","Mokα","","0.0903","0.0668","","","0.1808","0.203","","","","","","1.076","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008487","16.4","0.02","11.08","0.01","21.18","0.02","90","","91.09","0.08","90","","3848","7","250.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Gd N14 O6 W -","- C26 Gd N14 O6 W -","- C104 Gd4 N56 O24 W4 -","4","1","","Ikeda, Satoru; Hozumi, Toshiya; Hashimoto, Kazuhito; Ohkoshi, Shin-Ichi","Cyano-bridged gadolinium(III)-tungstate(V) bimetallic assembly with a one-dimensional chain structure.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2120","2123","10.1039/b503426d","","","0.7107","MoKα","","","0.035","","","","0.056","","","","","","0.99","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008488","25.252","0.009","15.264","0.005","31.346","0.011","90","","109.418","0.004","90","","11395","7","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C80 H111 Ag7 Au12 N9 O27.5 P10 -","- C80 H110 Ag7 Au12 N9 O27.5 P10 -","- C320 H440 Ag28 Au48 N36 O110 P40 -","4","1","","Nunokawa, Keiko; Ito, Mitsuhiro; Sunahara, Tetsuya; Onaka, Satoru; Ozeki, Tomoji; Chiba, Hirokazu; Funahashi, Yasuhiro; Masuda, Hideki; Yonezawa, Tetsu; Nishihara, Hiroshi; Nakamoto, Masami; Yamamoto, Mari","A new 19-metal-atom cluster [(Me2PhP)10Au12Ag7(NO3)9] with a nearly staggered-staggered M5 ring configuration.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2726","2730","10.1039/b503434e","","","0.71069","MoKα","","0.2077","0.1138","","","0.2228","0.3046","","","","","","1.058","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008489","18.707","0.003","32.952","0.006","27.783","0.005","90","","91.084","0.002","90","","17123","5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C209 H299 Ag24 Mo24 N9 O68 Rb7 S76 -","- C209 H267 Ag24 Mo24 N9 O68 Rb7 S76 -","- C418 H534 Ag48 Mo48 N18 O136 Rb14 S152 -","2","0.5","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.","Synthesis and characterization of a Mo/Ag/Rb heterotrimetallic cluster with double-cage architecture.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2349","2351","10.1039/b503447g","","","0.6778","synchrotron","","0.0549","0.0425","","","0.1281","0.1387","","","","","","1.084","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008490","10.295","0.0012","11.6318","0.0014","26.616","0.003","93.265","0.004","91.424","0.004","99.097","0.004","3140.2","0.6","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H52 Ag3 Cl3 N4 -","- C24 H52 Ag3 Cl3 N4 -","- C96 H208 Ag12 Cl12 N16 -","4","2","","Jones, Peter G.; Wölper, Christoph","New stoichiometries from an old system: amine complexes of silver chloride.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1762","1763","10.1039/b503634h","","","0.71073","MoKα","","0.0786","0.0454","","","0.1123","0.1211","","","","","","1.059","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008491","17.2444","0.0008","17.2444","0.0008","6.0965","0.0004","90","","90","","90","","1812.91","0.17","133","2","133","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H52 Ag5 Cl5 N4 -","- C24 H52 Ag5 Cl5 N4 -","- C48 H104 Ag10 Cl10 N8 -","2","0.25","","Jones, Peter G.; Wölper, Christoph","New stoichiometries from an old system: amine complexes of silver chloride.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1762","1763","10.1039/b503634h","","","0.71073","MoKα","","0.0215","0.018","","","0.0427","0.0443","","","","","","1.047","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008492","11.3393","0.0006","11.3393","0.0006","16.3909","0.0014","90","","90","","90","","2107.5","0.2","140","2","140","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","1,3,5-Trisilylbenzene","1,3,5-Trisilylbenzene","","- C6 H12 Si3 -","- C6 H12 Si3 -","- C48 H96 Si24 -","8","0.5","","Johnston, Blair F.; Mitzel, Norbert W.; Rankin, David W. H.; Robertson, Heather E.; Rüdinger, Christoph; Schmidbaur, Hubert","The experimental gas-phase structures of 1,3,5-trisilylbenzene and hexasilylbenzene and the theoretical structures of all benzenes with three or more silyl substituents.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2292","2299","10.1039/b503637b","","","0.71073","MoKα","","0.1151","0.056","","","0.1434","0.1743","","","","","","0.992","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008493","11.833","0.002","13.477","0.003","16.34","0.003","113.96","0.03","97.57","0.03","104","0.03","2231.4","1.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","trans,cis,cis- dichlorobis(dimethylsulfoxide)bis(indazole)ruthenium(ii)","trans,cis,cis-dichlorobis(dimethylsulfoxide)bis(indazole)ruthenium(II)","","- C18 H24 Cl2 N4 O2 Ru S2 -","- C18 H24 Cl2 N4 O2 Ru S2 -","- C72 H96 Cl8 N16 O8 Ru4 S8 -","4","2","","Reisner, Erwin; Arion, Vladimir B.; Rufińska, Anna; Chiorescu, Ion; Schmid, Wolfgang F.; Keppler, Bernhard K.","Isomeric [RuCl2(dmso)2(indazole)2] complexes: ruthenium(II)-mediated coupling reaction of acetonitrile with 1H-indazole.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2355","2364","10.1039/b503650j","","","0.71073","MoKα","","0.0289","0.0239","","","0.0565","0.0585","","","","","","1.078","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008494","12.194","0.002","12.888","0.003","14.72","0.003","90","","107.68","0.03","90","","2204.1","0.9","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","cis,cis,cis- dichlorobis(dimethylsulfoxide)bis(indazole)ruthenium(ii)","cis,cis,cis-dichlorobis(dimethylsulfoxide)bis(indazole)ruthenium(II)","","- C18 H24 Cl2 N4 O2 Ru S2 -","- C18 H24 Cl2 N4 O2 Ru S2 -","- C72 H96 Cl8 N16 O8 Ru4 S8 -","4","1","","Reisner, Erwin; Arion, Vladimir B.; Rufińska, Anna; Chiorescu, Ion; Schmid, Wolfgang F.; Keppler, Bernhard K.","Isomeric [RuCl2(dmso)2(indazole)2] complexes: ruthenium(II)-mediated coupling reaction of acetonitrile with 1H-indazole.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2355","2364","10.1039/b503650j","","","0.71073","MoKα","","0.0298","0.0245","","","0.0562","0.0583","","","","","","1.094","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008495","27.0678","0.0005","7.8991","0.0005","14.0096","0.0003","90","","94.1198","0.0012","90","","2987.7","0.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","trans,trans,trans- dichlorobis(dimethylsulfoxide)bis(indazole)ruthenium(ii)","trans,trans,trans-dichlorobis(dimethylsulfoxide)bis(indazole)ruthenium(II)","","- C22 H36 Cl2 N4 O4 Ru S4 -","- C22 H36 Cl2 N4 O4 Ru S4 -","- C88 H144 Cl8 N16 O16 Ru4 S16 -","4","0.5","","Reisner, Erwin; Arion, Vladimir B.; Rufińska, Anna; Chiorescu, Ion; Schmid, Wolfgang F.; Keppler, Bernhard K.","Isomeric [RuCl2(dmso)2(indazole)2] complexes: ruthenium(II)-mediated coupling reaction of acetonitrile with 1H-indazole.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2355","2364","10.1039/b503650j","","","0.71073","MoKα","","0.0529","0.0457","","","0.1206","0.1258","","","","","","1.076","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008496","17.726","0.004","8.367","0.002","14.415","0.003","90","","113.56","0.03","90","","1959.7","0.9","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","trans-dichlorobis(dimethylsulfoxide)amidineruthenium(ii) monohydrate","trans-dichlorobis(dimethylsulfoxide)amidineruthenium(II) monohydrate","","- C13 H23 Cl2 N3 O3 Ru S2 -","- C13 H23 Cl2 N3 O3 Ru S2 -","- C52 H92 Cl8 N12 O12 Ru4 S8 -","4","1","","Reisner, Erwin; Arion, Vladimir B.; Rufińska, Anna; Chiorescu, Ion; Schmid, Wolfgang F.; Keppler, Bernhard K.","Isomeric [RuCl2(dmso)2(indazole)2] complexes: ruthenium(II)-mediated coupling reaction of acetonitrile with 1H-indazole.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2355","2364","10.1039/b503650j","","","0.71073","MoKα","","0.0285","0.0239","","","0.0569","0.0592","","","","","","1.082","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008497","12.235","0.002","14.8","0.003","13.614","0.003","90","","105.69","0.03","90","","2373.3","0.9","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","trans- dichloro(dimethylsulfoxide)(indazole)amidineruthenium(ii) acetonitrile","trans-dichloro(dimethylsulfoxide)(indazole)amidineruthenium(II) acetonitrile","","- C20 H24 Cl2 N6 O Ru S -","- C20 H24 Cl2 N6 O Ru S -","- C80 H96 Cl8 N24 O4 Ru4 S4 -","4","1","","Reisner, Erwin; Arion, Vladimir B.; Rufińska, Anna; Chiorescu, Ion; Schmid, Wolfgang F.; Keppler, Bernhard K.","Isomeric [RuCl2(dmso)2(indazole)2] complexes: ruthenium(II)-mediated coupling reaction of acetonitrile with 1H-indazole.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2355","2364","10.1039/b503650j","","","0.71073","MoKα","","0.0393","0.0303","","","0.0776","0.0869","","","","","","1.123","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008498","8.8108","0.0018","10.92","0.002","16.228","0.003","74.23","0.03","78.5","0.03","75.76","0.03","1441.7","0.6","193","2","193","2","","","","","","","","7","P -1","-P 1","2","cis-Bis(N,N-diethyl-N'-benzoylthioureato)diiodoplatinum(IV)","cis-Bis(N,N-diethyl-N'-benzoylthioureato)diiodoplatinum(IV)","","- C24 H30 I2 N4 O2 Pt S2 -","- C24 H30 I2 N4 O2 Pt S2 -","- C48 H60 I4 N8 O4 Pt2 S4 -","2","1","","Westra, Arjan N.; Bourne, Susan A.; Esterhuysen, Catharine; Koch, Klaus R.","Reactions of halogens with Pt(II) complexes of N-alkyl- and N,N-dialkyl-N'-benzoylthioureas: oxidative addition and formation of an I2 inclusion compound.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2162","2172","10.1039/b503653d","","","0.71073","MoKα","","0.0564","0.0318","","","0.0553","0.0608","","","","","","0.959","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008499","26.321","0.005","15.743","0.003","18.693","0.004","90","","130.64","0.03","90","","5878","3","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","cis-Bis(N,N-diethyl-N'-benzoylthioureato)platinum(IV)","cis-Bis(N,N-diethyl-N'-benzoylthioureato)platinum(IV)","","- C24 H30 Br2 N4 O2 Pt S2 -","- C24 H30 Br2 N4 O2 Pt S2 -","- C192 H240 Br16 N32 O16 Pt8 S16 -","8","1","","Westra, Arjan N.; Bourne, Susan A.; Esterhuysen, Catharine; Koch, Klaus R.","Reactions of halogens with Pt(II) complexes of N-alkyl- and N,N-dialkyl-N'-benzoylthioureas: oxidative addition and formation of an I2 inclusion compound.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2162","2172","10.1039/b503653d","","","0.71073","MoKα","","0.0592","0.0328","","","0.0619","0.0681","","","","","","1.012","","","","has coordinates,has disorder","179788","2020-10-21","18:00:00",""
"7008500","8.5127","0.0017","9.4001","0.0019","10.064","0.002","77","0.03","80.7","0.03","86.19","0.03","774","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","trans-Bis(N-benzoyl-N'-propylthiourea-kS)diiodoplatinum(ii) di-iodine","trans-Bis(N-benzoyl-N'-propylthiourea-kS)diiodoplatinum(II) di-iodine","","- C22 H28 I4 N4 O2 Pt S2 -","- C22 H28 I4 N4 O2 Pt S2 -","- C22 H28 I4 N4 O2 Pt S2 -","1","0.5","","Westra, Arjan N.; Bourne, Susan A.; Esterhuysen, Catharine; Koch, Klaus R.","Reactions of halogens with Pt(II) complexes of N-alkyl- and N,N-dialkyl-N'-benzoylthioureas: oxidative addition and formation of an I2 inclusion compound.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2162","2172","10.1039/b503653d","","","0.71073","MoKα","","0.0158","0.0148","","","0.0312","0.0314","","","","","","1.048","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008501","13.568","0.004","13.739","0.004","18.962","0.006","90","","103.338","0.005","90","","3439.4","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","trans-Bis(N-benzoyl-N'-propylthiourea- kS)tetrabromoplatinum(IV)","trans-Bis(N-benzoyl-N'-propylthiourea-kS)tetrabromoplatinum(IV)","","- C29 H36 Br4 N4 O2 Pt S2 -","- C29 H36 Br4 N4 O2 Pt S2 -","- C116 H144 Br16 N16 O8 Pt4 S8 -","4","1","","Westra, Arjan N.; Bourne, Susan A.; Esterhuysen, Catharine; Koch, Klaus R.","Reactions of halogens with Pt(II) complexes of N-alkyl- and N,N-dialkyl-N'-benzoylthioureas: oxidative addition and formation of an I2 inclusion compound.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2162","2172","10.1039/b503653d","","","0.71073","MoKα","","0.0326","0.0259","","","0.0611","0.0639","","","","","","1.04","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008502","17.0964","0.0013","15.4668","0.0012","19.7589","0.0015","90","","90.348","0.002","90","","5224.7","0.7","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C10 H58 Cl Fe2 N5 O46 Si W10 -","- C10 H40 Cl Fe2 N5 O46 Si W10 -","- C40 H160 Cl4 Fe8 N20 O184 Si4 W40 -","4","1","","Botar, Bogdan; Geletii, Yurii V.; Kögerler, Paul; Musaev, Djamaladdin G.; Morokuma, Keiji; Weinstock, Ira A.; Hill, Craig L.","Asymmetric terminal ligation on substituted sites in a disorder-free Keggin anion, [beta-SiFe2W10O36(OH)2(H2O)Cl]5-.","Dalton transactions (Cambridge, England : 2003)","2005","","11","2017","2021","10.1039/b503665h","","","0.71073","MoKα","","0.0755","0.0672","","","0.1485","0.1518","","","","","","1.206","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008503","9.564","0.002","10.115","0.001","25.5","0.007","90","","90","","90","","2466.9","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 Ni O4 -","- C28 H27 N3 Ni O4 -","- C112 H108 N12 Ni4 O16 -","4","1","","Pessoa, J. Costa; Correia, I.; Galvão, A; Gameiro, A.; Felix, V.; Fiuza, E.","Enantioselectivity in Ni(II) Schiff-base complexes derived from amino-acids and (S)-o-N-(N-benzylprolyl)aminobenzophenone: molecular structure of several chiral Ni(II) Schiff-base complexes, circular dichroism and molecular mechanics studies.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2312","2321","10.1039/b503786g","","","0.71069","MoKα","","0.0847","0.0529","","","0.1249","0.1571","","","","","","1.117","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008504","10.875","0.001","12.042","0.002","24.834","0.003","90","","90","","90","","3252.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 N7 Ni O3 -","- C34 H29 N7 Ni O3 -","- C136 H116 N28 Ni4 O12 -","4","1","","Pessoa, J. Costa; Correia, I.; Galvão, A; Gameiro, A.; Felix, V.; Fiuza, E.","Enantioselectivity in Ni(II) Schiff-base complexes derived from amino-acids and (S)-o-N-(N-benzylprolyl)aminobenzophenone: molecular structure of several chiral Ni(II) Schiff-base complexes, circular dichroism and molecular mechanics studies.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2312","2321","10.1039/b503786g","","","0.71069","MoKα","","0.2154","0.1061","","","0.2247","0.29","","","","","","1.058","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008505","9.044","0.001","9.722","0.001","26.445","0.005","90","","90","","90","","2325.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N3 Ni O3 -","- C27 H25 N3 Ni O3 -","- C108 H100 N12 Ni4 O12 -","4","1","","Pessoa, J. Costa; Correia, I.; Galvão, A; Gameiro, A.; Felix, V.; Fiuza, E.","Enantioselectivity in Ni(II) Schiff-base complexes derived from amino-acids and (S)-o-N-(N-benzylprolyl)aminobenzophenone: molecular structure of several chiral Ni(II) Schiff-base complexes, circular dichroism and molecular mechanics studies.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2312","2321","10.1039/b503786g","","","0.71069","MoKα","","0.1141","0.0599","","","0.0853","0.1171","","","","","","1.162","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008506","17.309","0.004","6.4914","0.001","18.073","0.004","90","","92.072","0.005","90","","2029.3","0.7","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 O4 P4 Pb2 Se8 -","- C28 H32 O4 P4 Pb2 Se8 -","- C56 H64 O8 P8 Pb4 Se16 -","2","0.5","","Gray, Ian P.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and structure of novel [Ph(RO)PSe2]- complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2188","2194","10.1039/b503793j","","","0.71073","MoKα","","0.0194","0.0176","","","0.0387","0.0395","","","","","","1.098","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008507","7.2868","0.0017","8.1246","0.0019","9.089","0.002","70.312","0.004","71.498","0.004","85.256","0.004","480.27","0.19","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Ni O2 P2 Se4 -","- C14 H16 Ni O2 P2 Se4 -","- C14 H16 Ni O2 P2 Se4 -","1","0.5","","Gray, Ian P.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and structure of novel [Ph(RO)PSe2]- complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2188","2194","10.1039/b503793j","","","0.71073","MoKα","","0.0476","0.0464","","","0.1183","0.1199","","","","","","1.037","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008508","24.5905","0.0004","6.9511","0.0001","48.2341","0.0009","90","","90","","90","","8244.7","0.2","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H32 Cd2 O4 P4 Se8 -","- C28 H32 Cd2 O4 P4 Se8 -","- C224 H256 Cd16 O32 P32 Se64 -","8","2","","Gray, Ian P.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and structure of novel [Ph(RO)PSe2]- complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2188","2194","10.1039/b503793j","","","0.71073","MoKα","","0.0761","0.0618","","","0.1669","0.181","","","","","","0.956","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008509","6.4975","0.0007","13.1066","0.0013","14.502","0.002","110.741","0.014","97.96","0.02","100.16","0.02","1109.4","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 O2 P2 Pb Se4 -","- C16 H19 O2 P2 Pb Se4 -","- C32 H38 O4 P4 Pb2 Se8 -","2","1","","Gray, Ian P.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and structure of novel [Ph(RO)PSe2]- complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2188","2194","10.1039/b503793j","","","0.71073","MoKα","","0.0469","0.04","","","0.0957","0.1025","","","","","","0.602","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008510","25.7072","0.0006","8.4911","0.0002","25.3606","0.0005","90","","112.228","0.002","90","","5124.4","0.2","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Na4 O12 P4 Se4 -","- C36 H56 Na4 O12 P4 Se4 -","- C144 H224 Na16 O48 P16 Se16 -","4","0.5","","Gray, Ian P.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and structure of novel [Ph(RO)PSe2]- complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2188","2194","10.1039/b503793j","","","1.54178","CuKα","","0.0501","0.0452","","","0.1133","0.1147","","","","","","1.061","","","","has coordinates","291143","2024-04-09","08:47:47",""
"7008511","9.6713","0.0005","25.3948","0.0013","18.9224","0.0012","90","","94.043","0.005","90","","4635.8","0.4","105","","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H47 Cl3 N2 Pt -","- C55 H47 Cl3 N2 Pt -","- C220 H188 Cl12 N8 Pt4 -","4","1","","Siemeling, Ulrich; Bausch, Kirstin; Fink, Heinrich; Bruhn, Clemens; Baldus, Marc; Angerstein, Brigitta; Plessow, Regina; Brockhinke, Andreas","Platinum(II) 1,10-phenanthroline complexes of acetylides containing redox-active groups.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2365","2374","10.1039/b503794h","","","0.71073","MoKα","","0.0786","0.057","","","0.1374","0.1479","","","","","","1.044","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008512","10.3536","0.0008","14.2486","0.0011","14.9567","0.0011","101.134","0.006","99.895","0.006","95.782","0.006","2112.2","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 Cl8 N2 Pt -","- C40 H38 Cl8 N2 Pt -","- C80 H76 Cl16 N4 Pt2 -","2","1","","Siemeling, Ulrich; Bausch, Kirstin; Fink, Heinrich; Bruhn, Clemens; Baldus, Marc; Angerstein, Brigitta; Plessow, Regina; Brockhinke, Andreas","Platinum(II) 1,10-phenanthroline complexes of acetylides containing redox-active groups.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2365","2374","10.1039/b503794h","","","0.71073","MoKα","","0.0328","0.0285","","","0.0709","0.0721","","","","","","1.006","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008513","9.503","0.002","10.726","0.002","18.029","0.003","89.28","0.01","76.51","0.01","67.26","0.01","1641.9","0.6","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H10 O17 Os5 Rh2 -","- C25 H10 O17 Os5 Rh2 -","- C50 H20 O34 Os10 Rh4 -","2","1","","Lau, Jasmine Po-Kwan; Wong, Wing-Tak","Synthesis and structural characterization of a series of high-hydride content osmium-rhodium carbonyl complexes by the hydrogenation of arene-coordinated clusters.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2579","2587","10.1039/b503833b","","","0.7107","MoKα","","","0.04","","","","0.042","","","","","","1.103","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008514","11.792","0.004","24.927","0.008","15.438","0.005","90","","104.39","0.01","90","","4395","3","298","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H13 Cl2 O23 Os7 Rh3 -","- C24 H13 Cl2 O23 Os7 Rh3 -","- C96 H52 Cl8 O92 Os28 Rh12 -","4","1","","Lau, Jasmine Po-Kwan; Wong, Wing-Tak","Synthesis and structural characterization of a series of high-hydride content osmium-rhodium carbonyl complexes by the hydrogenation of arene-coordinated clusters.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2579","2587","10.1039/b503833b","","","0.7107","MoKα","","","0.042","","","","0.041","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008515","8.605","0.002","16.268","0.005","17.416","0.005","90","","94.24","0.01","90","","2431.3","1.2","298","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H9 O12 Os4 Rh -","- C19 H9 O12 Os4 Rh -","- C76 H36 O48 Os16 Rh4 -","4","1","","Lau, Jasmine Po-Kwan; Wong, Wing-Tak","Synthesis and structural characterization of a series of high-hydride content osmium-rhodium carbonyl complexes by the hydrogenation of arene-coordinated clusters.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2579","2587","10.1039/b503833b","","","0.7107","MoKα","","","0.029","","","","0.029","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008516","8.522","0.002","21.992","0.005","37.291","0.01","90","","91.15","0.01","90","","6988","3","298.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H18 Cl4 O36 Os10 Rh6 -","- C37 H18 Cl4 O36 Os10 Rh6 -","- C148 H72 Cl16 O144 Os40 Rh24 -","4","1","","Lau, Jasmine Po-Kwan; Wong, Wing-Tak","Synthesis and structural characterization of a series of high-hydride content osmium-rhodium carbonyl complexes by the hydrogenation of arene-coordinated clusters.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2579","2587","10.1039/b503833b","","","0.7107","MoKα","","","0.058","","","","0.063","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008517","8.784","0.004","19.5","0.009","9.201","0.004","90","","115.34","0.01","90","","1424.4","1.1","298","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H5 O18 Os5 Rh -","- C18 H5 O18 Os5 Rh -","- C36 H10 O36 Os10 Rh2 -","2","1","","Lau, Jasmine Po-Kwan; Wong, Wing-Tak","Synthesis and structural characterization of a series of high-hydride content osmium-rhodium carbonyl complexes by the hydrogenation of arene-coordinated clusters.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2579","2587","10.1039/b503833b","","","0.7107","MoKα","","","0.036","","","","0.043","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008518","5.6071","0.0005","13.0977","0.0017","18.4664","0.0019","90","","90","","90","","1356.2","0.3","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-serinato L-serine tricarbonyl rhenium(I)","","- C9 H13 N2 O9 Re -","- C9 H13 N2 O9 Re -","- C36 H52 N8 O36 Re4 -","4","1","","Zobi, Fabio; Spingler, Bernhard; Alberto, Roger","Structure, reactivity and solution behaviour of [Re(ser)(7-MeG)(CO)(3)] and [Re(ser)(3-pic)(CO)(3)]: ""nucleoside-mimicking"" complexes based on the fac-[Re(CO)(3)](+) moiety.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2859","2865","10.1039/b503874j","","","0.71073","MoKα","","0.0456","0.04","","","0.0963","0.0978","","","","","","1.069","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008519","10.0312","0.0005","14.1639","0.0005","24.9026","0.0008","90","","90","","90","","3538.2","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-serinato 7-methylguanine tricarbonyl rhenium(I)","","- C25 H30 N12 O15 Re2 -","- C25 H30 N12 O15 Re2 -","- C100 H120 N48 O60 Re8 -","4","1","","Zobi, Fabio; Spingler, Bernhard; Alberto, Roger","Structure, reactivity and solution behaviour of [Re(ser)(7-MeG)(CO)(3)] and [Re(ser)(3-pic)(CO)(3)]: ""nucleoside-mimicking"" complexes based on the fac-[Re(CO)(3)](+) moiety.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2859","2865","10.1039/b503874j","","","0.71073","MoKα","","0.0812","0.0493","","","0.1064","0.1178","","","","","","0.895","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008520","10.0219","0.0004","12.7847","0.0004","26.4572","0.001","90","","90","","90","","3389.9","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","D-serinato 7-methylguanine tricarbonyl rhenium(I)","","- C24 H28 N12 O15 Re2 -","- C24 H26 N12 O15 Re2 -","- C96 H104 N48 O60 Re8 -","4","1","","Zobi, Fabio; Spingler, Bernhard; Alberto, Roger","Structure, reactivity and solution behaviour of [Re(ser)(7-MeG)(CO)(3)] and [Re(ser)(3-pic)(CO)(3)]: ""nucleoside-mimicking"" complexes based on the fac-[Re(CO)(3)](+) moiety.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2859","2865","10.1039/b503874j","","","0.71073","MoKα","","0.0548","0.0468","","","0.1116","0.1155","","","","","","1.044","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008521","6.2005","0.0003","26.1517","0.0017","8.7539","0.0005","90","","92.112","0.007","90","","1418.51","0.14","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-serinato 3-methylpyridine tricarbonyl rhenium(I)","","- C12 H13 N2 O6 Re -","- C12 H12.5 N2 O6 Re -","- C48 H50 N8 O24 Re4 -","4","2","","Zobi, Fabio; Spingler, Bernhard; Alberto, Roger","Structure, reactivity and solution behaviour of [Re(ser)(7-MeG)(CO)(3)] and [Re(ser)(3-pic)(CO)(3)]: ""nucleoside-mimicking"" complexes based on the fac-[Re(CO)(3)](+) moiety.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2859","2865","10.1039/b503874j","","","0.71073","MoKα","","0.1218","0.0866","","","0.2665","0.3019","","","","","","1.096","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008522","7.221","0.002","9.82","0.002","17.157","0.003","90","","95.6","0.02","90","","1210.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Br I N2 S -","- C9 H10 Br I N2 S -","- C36 H40 Br4 I4 N8 S4 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","DFT calculations, structural and spectroscopic studies on the products formed between IBr and N,N'-dimethylbenzoimidazole-2(3H)-thione and -2(3H)-selone.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2252","2258","10.1039/b503883a","","","0.71073","MoKα","","0.0536","0.0282","","","0.0715","0.0793","","","","","","1.031","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008523","13.404","0.003","9.997","0.003","9.485","0.002","90","","108.84","0.01","90","","1202.9","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Br1.28 I0.72 N2 Se -","- C9 H10 Br1.28 I0.722 N2 Se -","- C36 H40 Br5.12 I2.888 N8 Se4 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","DFT calculations, structural and spectroscopic studies on the products formed between IBr and N,N'-dimethylbenzoimidazole-2(3H)-thione and -2(3H)-selone.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2252","2258","10.1039/b503883a","","","0.71073","MoKα","","0.0468","0.0241","","","0.0565","0.0614","","","","","","1.033","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008524","13.4258","0.0013","15.749","0.002","16.267","0.002","90","","105.174","0.002","90","","3319.6","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Mn N7 O7 -","- C35 H35 Mn N7 O7 -","- C140 H140 Mn4 N28 O28 -","4","1","","Naskar, Subhendu; Mishra, Dipankar; Chattopadhyay, Shyamal Kumar; Corbella, Montserrat; Blake, Alexander J.","Versatility of 2,6-diacetylpyridine (dap) hydrazones in stabilizing uncommon coordination geometries of Mn(II): synthesis, spectroscopic, magnetic and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2428","2435","10.1039/b503891j","","","0.71073","MoKα","","0.0484","0.0407","","","0.115","0.12","","","","","","1.09","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008525","12.663","0.004","10.626","0.003","16.51","0.005","90","","96.499","0.005","90","","2207.3","1.1","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H19 Mn N7 O2 -","- C23 H21 Mn N7 O2 -","- C92 H84 Mn4 N28 O8 -","4","0.5","","Naskar, Subhendu; Mishra, Dipankar; Chattopadhyay, Shyamal Kumar; Corbella, Montserrat; Blake, Alexander J.","Versatility of 2,6-diacetylpyridine (dap) hydrazones in stabilizing uncommon coordination geometries of Mn(II): synthesis, spectroscopic, magnetic and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2428","2435","10.1039/b503891j","","x-ray","0.71073","MoKα","","0.0811","0.0627","","","0.187","0.197","","","","","","1.07","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008526","7.4635","0.0008","13.908","0.002","15.216","0.002","114.421","0.002","96.351","0.002","102.314","0.002","1369.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Mn N6 O7 -","- C26 H30 Mn N6 O7 -","- C52 H60 Mn2 N12 O14 -","2","1","","Naskar, Subhendu; Mishra, Dipankar; Chattopadhyay, Shyamal Kumar; Corbella, Montserrat; Blake, Alexander J.","Versatility of 2,6-diacetylpyridine (dap) hydrazones in stabilizing uncommon coordination geometries of Mn(II): synthesis, spectroscopic, magnetic and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2428","2435","10.1039/b503891j","","x-ray","0.71073","MoKα","","0.0491","0.0391","","","0.106","0.11","","","","","","1.09","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008527","15.254","0.002","14.629","0.002","17.33","0.003","90","","91.691","0.003","90","","3865.5","1","193.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 B N3 Rh S3 -","- C47 H41 B N3 Rh S3 -","- C188 H164 B4 N12 Rh4 S12 -","4","1","","Nishioka, Takanori; Onishi, Yusuke; Nakajo, Kunio; Guo-Xin, Jin; Tanaka, Rika; Kinoshita, Isamu","Selective oxygenation of amphiphilic thiacalix[3]pyridine Rh(I) diene complexes in both water and organic solvents.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2130","2137","10.1039/b503924j","","","0.7107","MoKα","","","0.0672","","","","0.0874","","","","","","1.187","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008528","14.101","0.001","17.712","0.002","16.082","0.002","90","","93.231","0.002","90","","4010.2","0.7","193.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H41 B N3 O3 Rh S3 -","- C47 H41 B N3 O3 Rh S3 -","- C188 H164 B4 N12 O12 Rh4 S12 -","4","1","","Nishioka, Takanori; Onishi, Yusuke; Nakajo, Kunio; Guo-Xin, Jin; Tanaka, Rika; Kinoshita, Isamu","Selective oxygenation of amphiphilic thiacalix[3]pyridine Rh(I) diene complexes in both water and organic solvents.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2130","2137","10.1039/b503924j","","","0.7107","MoKα","","","0.0396","","","","0.0828","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008529","9.5391","0.0009","20.336","0.002","19.527","0.002","90","","93.433","0.002","90","","3781.2","0.6","193.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H37 B N3 Rh S3 -","- C46 H37 B N3 Rh S3 -","- C184 H148 B4 N12 Rh4 S12 -","4","1","","Nishioka, Takanori; Onishi, Yusuke; Nakajo, Kunio; Guo-Xin, Jin; Tanaka, Rika; Kinoshita, Isamu","Selective oxygenation of amphiphilic thiacalix[3]pyridine Rh(I) diene complexes in both water and organic solvents.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2130","2137","10.1039/b503924j","","","0.7107","MoKα","","","0.0432","","","","0.0909","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008530","10.17","0.002","11.684","0.003","17.496","0.004","104.214","0.004","104.41","0.004","94.148","0.003","1932.1","0.8","193.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H37 B N3 O1.73 Rh S3 -","- C46 H37 B N3 O1.73 Rh S3 -","- C92 H74 B2 N6 O3.46 Rh2 S6 -","2","1","","Nishioka, Takanori; Onishi, Yusuke; Nakajo, Kunio; Guo-Xin, Jin; Tanaka, Rika; Kinoshita, Isamu","Selective oxygenation of amphiphilic thiacalix[3]pyridine Rh(I) diene complexes in both water and organic solvents.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2130","2137","10.1039/b503924j","","","0.7107","MoKα","","","0.0494","","","","0.076","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008531","14.274","0.002","16.733","0.002","16.19","0.002","90","","95.333","0.003","90","","3850.2","0.9","193.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H37 B N3 O3 Rh S3 -","- C46 H37 B N3 O3 Rh S3 -","- C184 H148 B4 N12 O12 Rh4 S12 -","4","1","","Nishioka, Takanori; Onishi, Yusuke; Nakajo, Kunio; Guo-Xin, Jin; Tanaka, Rika; Kinoshita, Isamu","Selective oxygenation of amphiphilic thiacalix[3]pyridine Rh(I) diene complexes in both water and organic solvents.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2130","2137","10.1039/b503924j","","","0.7107","MoKα","","","0.0385","","","","0.064","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008532","9.569","0.001","32.467","0.005","12.727","0.002","90","","96.504","0.006","90","","3928.5","1","193.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H41 B N3 O Rh S3 -","- C47 H41 B N3 O Rh S3 -","- C188 H164 B4 N12 O4 Rh4 S12 -","4","2","","Nishioka, Takanori; Onishi, Yusuke; Nakajo, Kunio; Guo-Xin, Jin; Tanaka, Rika; Kinoshita, Isamu","Selective oxygenation of amphiphilic thiacalix[3]pyridine Rh(I) diene complexes in both water and organic solvents.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2130","2137","10.1039/b503924j","","","0.7107","MoKα","","","0.076","","","","0.1853","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008533","5.984","0.0012","12.106","0.002","20.618","0.004","101.61","0.03","92.87","0.03","94.22","0.03","1455.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 Re S8 -","- C24 H12 Re S8 -","- C48 H24 Re2 S16 -","2","1","","Lepareur, Nicolas; Mévellec, Franck; Noiret, Nicolas; Refosco, Fiorenzo; Tisato, Francesco; Porchia, Marina; Bandoli, Giuliano","Syntheses and reactivity of 'sulfur rich' Re(iii) and Tc(iii) complexes containing trithioperoxybenzoate, dithiobenzoate and dithiocarbamate ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2866","2875","10.1039/b503938j","","","0.71073","MoKα","","0.1075","0.0477","","","0.0908","0.1184","","","","","","0.81","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008534","12.503","0.002","10.546","0.003","19.355","0.004","90","","90","","90","","2552.1","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H20 N Re S8 -","- C19 H12 N Re S8 -","- C76 H48 N4 Re4 S32 -","4","1","","Lepareur, Nicolas; Mévellec, Franck; Noiret, Nicolas; Refosco, Fiorenzo; Tisato, Francesco; Porchia, Marina; Bandoli, Giuliano","Syntheses and reactivity of 'sulfur rich' Re(iii) and Tc(iii) complexes containing trithioperoxybenzoate, dithiobenzoate and dithiocarbamate ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2866","2875","10.1039/b503938j","","","0.71073","MoKα","","0.0656","0.0546","","","0.1419","0.1545","","","","","","1.013","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008535","9.913","0.002","10.414","0.002","14.912","0.003","109.94","0.03","90.39","0.03","108.16","0.03","1364","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 N O S8 Tc -","- C21 H14 N O S8 Tc -","- C42 H28 N2 O2 S16 Tc2 -","2","1","","Lepareur, Nicolas; Mévellec, Franck; Noiret, Nicolas; Refosco, Fiorenzo; Tisato, Francesco; Porchia, Marina; Bandoli, Giuliano","Syntheses and reactivity of 'sulfur rich' Re(iii) and Tc(iii) complexes containing trithioperoxybenzoate, dithiobenzoate and dithiocarbamate ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2866","2875","10.1039/b503938j","","","0.71073","MoKα","","0.0533","0.0522","","","0.1355","0.1365","","","","","","1.191","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008536","11.4093","0.0016","11.4093","0.0016","13.279","0.004","90","","90","","90","","1728.6","0.6","173","2","173","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H20 N O P -","- C20 H20 N O P -","- C80 H80 N4 O4 P4 -","4","1","","Wiecko, Michal; Girnt, Denise; Rastätter, Marcus; Panda, Tarun K.; Roesky, Peter W.","Zirconium complexes having a chiral phosphanylamide in the co-ordination sphere.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2147","2150","10.1039/b503956h","","","0.71073","MoKα","","0.0276","0.0263","","","0.0727","0.0742","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008537","8.6973","0.0006","10.8436","0.0006","13.5907","0.0006","90","","94.583","0.004","90","","1277.64","0.13","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H29 Cl N P Zr -","- C30 H29 Cl N P Zr -","- C60 H58 Cl2 N2 P2 Zr2 -","2","1","","Wiecko, Michal; Girnt, Denise; Rastätter, Marcus; Panda, Tarun K.; Roesky, Peter W.","Zirconium complexes having a chiral phosphanylamide in the co-ordination sphere.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2147","2150","10.1039/b503956h","","","0.71073","MoKα","","0.0214","0.0205","","","0.0517","0.0526","","","","","","1.047","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008538","8.7121","0.0017","10.833","0.002","13.593","0.003","90","","94.471","0.004","90","","1279","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H29 Cl N P Zr -","- C30 H29 Cl N P Zr -","- C60 H58 Cl2 N2 P2 Zr2 -","2","1","","Wiecko, Michal; Girnt, Denise; Rastätter, Marcus; Panda, Tarun K.; Roesky, Peter W.","Zirconium complexes having a chiral phosphanylamide in the co-ordination sphere.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2147","2150","10.1039/b503956h","","","0.71073","MoKα","","0.0176","0.0167","","","0.044","0.0443","","","","","","1.039","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008539","8.798","0.002","9.975","0.003","19.11","0.005","90","","95.067","0.006","90","","1670.5","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H40 N P Zr -","- C41 H40 N P Zr -","- C82 H80 N2 P2 Zr2 -","2","1","","Wiecko, Michal; Girnt, Denise; Rastätter, Marcus; Panda, Tarun K.; Roesky, Peter W.","Zirconium complexes having a chiral phosphanylamide in the co-ordination sphere.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2147","2150","10.1039/b503956h","","","0.71073","MoKα","","0.061","0.04","","","0.0682","0.0767","","","","","","1.053","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008540","11.473","0.001","8.968","0.001","11.524","0.001","90","","97.43","0.02","90","","1175.7","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H18 Cd K2 O25 U -","- C8 H18 Cd K2 O25 U -","- C16 H36 Cd2 K4 O50 U2 -","2","1","","Imaz, Inhar; Bravic, Georges; Sutter, Jean-Pascal","Structural and zeolitic features of a series of heterometallic supramolecular porous architectures based on tetrahedral {M(C2O4)4}4- primary building units.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2681","2687","10.1039/b503964a","","","0.71073","MoKα","","0.0171","0.016","","","0.0449","0.0642","","","","","","1.207","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008541","11.819","0.005","12.63","0.005","14.699","0.005","90","0.005","106.769","0.005","90","0.005","2100.9","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 K2 Mn O21 Zr -","- C8 K2 Mn O21 Zr -","- C32 K8 Mn4 O84 Zr4 -","4","1","","Imaz, Inhar; Bravic, Georges; Sutter, Jean-Pascal","Structural and zeolitic features of a series of heterometallic supramolecular porous architectures based on tetrahedral {M(C2O4)4}4- primary building units.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2681","2687","10.1039/b503964a","","","0.71073","MoKα","","0.0777","0.0777","","","0.242","0.242","","","","","","1.093","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008542","9.5129","0.0011","18.099","0.002","34.801","0.004","90","","90","","90","","5991.8","1.2","105","2","105","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H55 N8 Ta -","- C24 H55 N8 Ta -","- C192 H440 N64 Ta8 -","8","1","","Baunemann, Arne; Rische, Daniel; Milanov, Andrian; Kim, Younsoo; Winter, Manuela; Gemel, Christian; Fischer, Roland A.","Tantalum complexes with all nitrogen coordination sphere: mixed amido-, imido-, guanidinato complexes of tantalum and their thermal behaviour.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3051","3055","10.1039/b503988f","","","0.71073","MoKα","","0.0686","0.0455","","","0.0707","0.0759","","","","","","1.242","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008543","12.0887","0.0017","13.3414","0.0019","11.208","0.0016","90","","90","","90","","1807.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H26 B10 I N -","- C8 H26 B10 I N -","- C32 H104 B40 I4 N4 -","4","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and structural characterization of mono- and bisfunctional o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2375","2381","10.1039/b504076k","","","0.71073","MoKα","","0.0478","0.0362","","","0.0913","0.0966","","","","","","1.034","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008544","14.063","0.003","7.0731","0.0014","21.188","0.004","90","","101.9","0.03","90","","2062.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 B10 Br N -","- C12 H30 B10 Br N -","- C48 H120 B40 Br4 N4 -","4","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and structural characterization of mono- and bisfunctional o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2375","2381","10.1039/b504076k","","","0.71073","MoKα","","0.0948","0.0806","","","0.22","0.232","","","","","","1.144","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008545","9.3902","0.0008","10.6277","0.0009","11.5729","0.001","81.826","0.002","72.449","0.002","65.19","0.002","999.37","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H31 B10 N -","- C14 H31 B10 N -","- C28 H62 B20 N2 -","2","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and structural characterization of mono- and bisfunctional o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2375","2381","10.1039/b504076k","","","0.71073","MoKα","","0.1069","0.0648","","","0.1686","0.1985","","","","","","0.928","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008546","13.3919","0.0008","7.7928","0.0005","25.8501","0.0015","90","","100.843","0.001","90","","2649.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 B10 O -","- C6 H18 B10 O -","- C48 H144 B80 O8 -","8","2","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and structural characterization of mono- and bisfunctional o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2375","2381","10.1039/b504076k","","","0.71073","MoKα","","0.1532","0.1023","","","0.2487","0.2949","","","","","","1.061","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008547","9.2978","0.0013","13.863","0.002","9.8077","0.0013","90","","94.05","0.004","90","","1261","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H22 B9 N -","- C6 H22 B9 N -","- C24 H88 B36 N4 -","4","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and structural characterization of mono- and bisfunctional o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2375","2381","10.1039/b504076k","","","0.71073","MoKα","","0.1439","0.0659","","","0.1536","0.1935","","","","","","0.93","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008548","9.971","0.001","11.6703","0.0013","14.3826","0.0015","90","","102.803","0.002","90","","1632","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H28 B9 N O -","- C9 H27 B9 N O -","- C36 H108 B36 N4 O4 -","4","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and structural characterization of mono- and bisfunctional o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2375","2381","10.1039/b504076k","","","0.71073","MoKα","","0.128","0.082","","","0.2272","0.2837","","","","","","0.949","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008549","10.3089","0.0008","10.1907","0.0007","15.7381","0.0011","90","","106.367","0.008","90","","1586.4","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N3 O11 V -","- C10 H18 N3 O11 V -","- C40 H72 N12 O44 V4 -","4","1","","Tatiersky, Jozef; Schwendt, Peter; Sivák, Michal; Marek, Jaromír","Racemic monoperoxovanadium(V) complexes with achiral OO and ON donor set heteroligands: synthesis, crystal structure and stereochemistry of [NH3(CH2)2NH3][VO(O2)(ox)(pic)].2H2O and [NH3(CH2)2NH3][VO(O2)(ox)(pca)].","Dalton transactions (Cambridge, England : 2003)","2005","","13","2305","2311","10.1039/b504211a","","","0.71073","MoKα","","0.0325","0.0278","","","0.0723","0.0751","","","","","","1.014","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008550","10.635","0.002","9.938","0.002","12.829","0.003","90","","98.12","0.03","90","","1342.3","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N4 O9 V -","- C9 H13 N4 O9 V -","- C36 H52 N16 O36 V4 -","4","1","","Tatiersky, Jozef; Schwendt, Peter; Sivák, Michal; Marek, Jaromír","Racemic monoperoxovanadium(V) complexes with achiral OO and ON donor set heteroligands: synthesis, crystal structure and stereochemistry of [NH3(CH2)2NH3][VO(O2)(ox)(pic)].2H2O and [NH3(CH2)2NH3][VO(O2)(ox)(pca)].","Dalton transactions (Cambridge, England : 2003)","2005","","13","2305","2311","10.1039/b504211a","","","0.71073","MoKα","","0.0382","0.0308","","","0.0696","0.0731","","","","","","1.027","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008551","19.6558","0.0017","12.1246","0.0011","24.755","0.002","90","","95.801","0.002","90","","5869.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H88 Cl4 Rh4 S4 Si2 -","- C50 H88 Cl4 Rh4 S4 Si2 -","- C200 H352 Cl16 Rh16 S16 Si8 -","4","1","","Camerano, José A; Casado, Miguel A.; Ciriano, Miguel A.; Tejel, Cristina; Oro, Luis A.","Peripheral SH-functionalisation of carbosilane dendrimers including the synthesis of the model compound dimethylbis(propanethiol)silane and their interaction with rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3092","3100","10.1039/b504218f","","","0.71073","MoKα","","0.104","0.0493","","","0.0729","0.0851","","","","","","0.772","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008552","7.186","0.004","8.489","0.003","13.772","0.008","98.96","0.03","92.7","0.03","90.73","0.03","828.8","0.7","203","2","203","2","","","","","","","","4","P -1","-P 1","2","phenylseleniumtrichloride","","","- C6 H5 Cl3 Se -","- C6 H5 Cl3 Se -","- C24 H20 Cl12 Se4 -","4","2","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.","A comparison of the solid state structures of the selenium(IV) compounds PhSeX3(X=Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2005","","10","1759","1761","10.1039/b504241k","","","0.71073","MoKα","","0.1946","0.0792","","","0.1488","0.1816","","","","","","0.908","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008553","11.206","0.002","22.24","0.004","8.083","0.002","90","","111.13","0.02","90","","1879","0.7","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phenylseleniumtribromide","","","- C6 H5 Br3 Se -","- C6 H5 Br3 Se -","- C48 H40 Br24 Se8 -","8","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.","A comparison of the solid state structures of the selenium(IV) compounds PhSeX3(X=Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2005","","10","1759","1761","10.1039/b504241k","","","0.71073","MoKα","","0.0646","0.0461","","","0.1032","0.1104","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008554","6.544","0.004","21.289","0.013","11.767","0.007","90","","95.599","0.012","90","","1631.5","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B2 O5 -","- C12 B2 O5 -","- C48 B8 O20 -","4","1","","Hawkeswood, Sarah; Stephan, Douglas W.","Syntheses and reactions of the bis-boryloxide O(Bpin)2(pin = O2C2Me4).","Dalton transactions (Cambridge, England : 2003)","2005","","12","2182","2187","10.1039/b504246a","","","0.71073","MoKα","","0.204","0.0974","","","0.2677","0.3185","","","","","","0.879","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008555","10.752","0.003","13.737","0.004","14.181","0.004","94.422","0.006","104.55","0.006","106.244","0.006","1921.8","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H65 B3 N O8 P -","- C30 H65 B3 N O8 P -","- C60 H130 B6 N2 O16 P2 -","2","1","","Hawkeswood, Sarah; Stephan, Douglas W.","Syntheses and reactions of the bis-boryloxide O(Bpin)2(pin = O2C2Me4).","Dalton transactions (Cambridge, England : 2003)","2005","","12","2182","2187","10.1039/b504246a","","","0.71073","MoKα","","0.247","0.0854","","","0.1554","0.1984","","","","","","0.843","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008556","20.276","0.011","13.162","0.008","19.54","0.011","90","","100.694","0.013","90","","5124","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 B2 O6 Zr -","- C22 H10 B2 O6 Zr -","- C176 H80 B16 O48 Zr8 -","8","1","","Hawkeswood, Sarah; Stephan, Douglas W.","Syntheses and reactions of the bis-boryloxide O(Bpin)2(pin = O2C2Me4).","Dalton transactions (Cambridge, England : 2003)","2005","","12","2182","2187","10.1039/b504246a","","","0.71073","MoKα","","0.1848","0.0942","","","0.241","0.2934","","","","","","1.033","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008557","40.141","0.003","4.9633","0.0005","18.6857","0.0019","90","","96.855","0.006","90","","3696.2","0.6","163","2","163","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","bis(4-((2-methylbenzimidazol-1-yl)methyl)benzamide) silver(i) BF4, H2O","bis(4-[(2-methylbenzimidazol-1-yl)methyl]benzamide) silver(I) BF4, H2O","","- C32 H30 Ag B F4 N6 O5.4 -","- C32 H30 Ag B F4 N6 O5.4 -","- C128 H120 Ag4 B4 F16 N24 O21.6 -","4","0.5","","Aakeröy, Christer B; Desper, John; Smith, Michelle M.; Urbina, Joaquin F.","[(Benzimidazol-1-yl)methyl]benzamides as bifunctional reagents for reliable inorganic-organic supramolecular synthesis.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2462","2470","10.1039/b504420k","","","0.71073","MoKα","","0.0835","0.0574","","","0.1715","0.1863","","","","","","1.292","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008558","11.666","0.002","12.237","0.002","13.013","0.002","109.136","0.013","114.266","0.008","92.31","0.014","1566.6","0.5","203","2","203","2","","","","","","","","7","P -1","-P 1","2","bis(3-((2-methylbenzimidazol-1-yl)methyl)benzamide) silver(i) BF4","bis{3-[(2-methylbenzimidazol-1-yl)methyl]benzamide} silver(I) BF4","","- C32 H30 Ag B F4 N6 O2 -","- C32 H30 Ag B F4 N6 O2 -","- C64 H60 Ag2 B2 F8 N12 O4 -","2","1","","Aakeröy, Christer B; Desper, John; Smith, Michelle M.; Urbina, Joaquin F.","[(Benzimidazol-1-yl)methyl]benzamides as bifunctional reagents for reliable inorganic-organic supramolecular synthesis.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2462","2470","10.1039/b504420k","","","0.71073","MoKα","","0.0634","0.0385","","","0.0844","0.0929","","","","","","0.918","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008559","9.914","0.0007","8.4229","0.0006","19.7055","0.0013","90","","102.108","0.003","90","","1608.89","0.19","173","2","173","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","bis(4-((6,7-dimethylbenzimidazol-1-yl)methyl)benzamide), AgBF4","bis{4-[(6,7-dimethylbenzimidazol-1-yl)methyl]benzamide}, AgBF4","","- C34 H34 Ag B F4 N6 O2 -","- C34 H34 Ag B F4 N6 O2 -","- C68 H68 Ag2 B2 F8 N12 O4 -","2","0.5","","Aakeröy, Christer B; Desper, John; Smith, Michelle M.; Urbina, Joaquin F.","[(Benzimidazol-1-yl)methyl]benzamides as bifunctional reagents for reliable inorganic-organic supramolecular synthesis.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2462","2470","10.1039/b504420k","","","0.71073","MoKα","","0.0763","0.0558","","","0.1341","0.1461","","","","","","1.042","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008560","7.3084","0.0004","18.5828","0.0011","25.162","0.0015","90","","96.806","0.001","90","","3393.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis(2-methyl-3-((benzamide-4-yl)methyl)benzimidaol-1- yl)silver(i) (AsF6)","bis{2-methyl-3-[(benzamide-4-yl)methyl]benzimidaol-1-yl}silver(I) (AsF6)","","- C33 H34 Ag As F6 N6 O3 -","- C33 H34 Ag As F6 N6 O3 -","- C132 H136 Ag4 As4 F24 N24 O12 -","4","1","","Aakeröy, Christer B; Desper, John; Smith, Michelle M.; Urbina, Joaquin F.","[(Benzimidazol-1-yl)methyl]benzamides as bifunctional reagents for reliable inorganic-organic supramolecular synthesis.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2462","2470","10.1039/b504420k","","","0.71073","MoKα","","0.0472","0.0382","","","0.1073","0.1133","","","","","","1.079","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008561","11.8443","0.0008","12.1157","0.0007","13.3329","0.0008","66.333","0.003","69.67","0.003","87.96","0.003","1631.16","0.18","203","2","203","2","","","","","","","","7","P -1","-P 1","2","3-((2-methylbenzimidazol-1-yl)methyl)benzamide, Ag (AsF6)","3-[(2-methylbenzimidazol-1-yl)methyl]benzamide, Ag (AsF6)","","- C32.5 H32 Ag As F6 N6 O2.5 -","- C32.5 H32 Ag As F6 N6 O2.5 -","- C65 H64 Ag2 As2 F12 N12 O5 -","2","1","","Aakeröy, Christer B; Desper, John; Smith, Michelle M.; Urbina, Joaquin F.","[(Benzimidazol-1-yl)methyl]benzamides as bifunctional reagents for reliable inorganic-organic supramolecular synthesis.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2462","2470","10.1039/b504420k","","","0.71073","MoKα","","0.059","0.0481","","","0.1286","0.1361","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008562","9.1269","0.0006","9.2459","0.0005","10.0615","0.0007","97.921","0.004","89.95","0.004","98.904","0.004","830.64","0.09","183","2","183","2","","","","","","","","7","P -1","-P 1","2","(4-((5,6-dimethylbenzimidazol-1-yl)methyl)benzamide)2, AgAsF6","(4-[(5,6-dimethylbenzimidazol-1-yl)methyl]benzamide)2, AgAsF6","","- C34 H34 Ag As F6 N6 O2 -","- C34 H34 Ag As F6 N6 O2 -","- C34 H34 Ag As F6 N6 O2 -","1","0.5","","Aakeröy, Christer B; Desper, John; Smith, Michelle M.; Urbina, Joaquin F.","[(Benzimidazol-1-yl)methyl]benzamides as bifunctional reagents for reliable inorganic-organic supramolecular synthesis.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2462","2470","10.1039/b504420k","","","0.71073","MoKα","","0.0418","0.0385","","","0.1049","0.1083","","","","","","1.141","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008563","7.5069","0.0005","18.6924","0.0012","24.9808","0.0017","90","","98.492","0.001","90","","3466.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis(2-methyl-3-((benzamide-4-yl)methyl)benzimidaol-1- yl)silver(i) (SbF6)","bis{2-methyl-3-[(benzamide-4-yl)methyl]benzimidaol-1-yl}silver(I) (SbF6)","","- C32 H30 Ag F6 N6 O5 Sb -","- C32 H30 Ag F6 N6 O5 Sb -","- C128 H120 Ag4 F24 N24 O20 Sb4 -","4","1","","Aakeröy, Christer B; Desper, John; Smith, Michelle M.; Urbina, Joaquin F.","[(Benzimidazol-1-yl)methyl]benzamides as bifunctional reagents for reliable inorganic-organic supramolecular synthesis.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2462","2470","10.1039/b504420k","","","0.71073","MoKα","","0.0731","0.0623","","","0.1714","0.1773","","","","","","1.427","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008564","9.2644","0.0004","13.2045","0.0006","14.2022","0.0006","74.558","0.001","81.751","0.001","72.275","0.001","1591.47","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","bis(2-methyl-3-((benzamide-3-yl)methyl)benzimidaol-1- yl)silver(i) (SbF6)","bis{2-methyl-3-[(benzamide-3-yl)methyl]benzimidaol-1-yl}silver(I) (SbF6)","","- C32 H30 Ag F6 N6 O2 Sb -","- C32 H30 Ag F6 N6 O2 Sb -","- C64 H60 Ag2 F12 N12 O4 Sb2 -","2","1","","Aakeröy, Christer B; Desper, John; Smith, Michelle M.; Urbina, Joaquin F.","[(Benzimidazol-1-yl)methyl]benzamides as bifunctional reagents for reliable inorganic-organic supramolecular synthesis.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2462","2470","10.1039/b504420k","","","0.71073","MoKα","","0.0366","0.0313","","","0.0775","0.0806","","","","","","1.017","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008565","6.9105","0.0002","9.6605","0.0002","10.1033","0.0002","72.6594","0.0014","87.0683","0.0013","77.9568","0.0012","629.62","0.03","150","","150","","","","","","","","?","7","P -1","-P 1","2","","","","- C6 H16 F2 N2 O6 S U -","- C6 H16 F2 N2 O6 S U -","- C12 H32 F4 N4 O12 S2 U2 -","2","1","","Doran, Michael B.; Cockbain, Ben E.; O'Hare, Dermot","Structural variation in organically templated uranium sulfate fluorides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1774","1780","10.1039/b504457j","","","0.71073","MoKα","","0.0262","0.0229","","0.0599","0.0567","0.0567","","","","","","0.897","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008566","6.9503","0.0001","17.2147","0.0004","7.0867","0.0001","90","","90","","90","","847.9","0.03","150","","150","","","","","","","","?","7","P m m n :2","-P 2ab 2a","59","","","","- C6 H14 F2 N2 O12 S2 U2 -","- C6 H14 F2 N2 O12 S2 U2 -","- C12 H28 F4 N4 O24 S4 U4 -","2","0.25","","Doran, Michael B.; Cockbain, Ben E.; O'Hare, Dermot","Structural variation in organically templated uranium sulfate fluorides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1774","1780","10.1039/b504457j","","","0.71073","MoKα","","0.0335","0.0229","","0.0658","0.0547","0.0547","","","","","","0.8449","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008567","13.5775","0.0003","14.618","0.0004","8.1168","0.0002","90","","90","","90","","1610.99","0.07","150","","150","","","","","","","","?","7","P n m a","-P 2ac 2n","62","","","","- C3 H12 F2 N2 O13 S2 U2 -","- C3 H12 F2 N2 O13 S2 U2 -","- C12 H48 F8 N8 O52 S8 U8 -","4","0.5","","Doran, Michael B.; Cockbain, Ben E.; O'Hare, Dermot","Structural variation in organically templated uranium sulfate fluorides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1774","1780","10.1039/b504457j","","","0.71073","MoKα","","0.0624","0.0206","","0.0552","0.0464","0.0464","","","","","","0.9248","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008568","8.4354","0.0002","15.5581","0.0004","14.8442","0.0006","90","","96.666","0.001","90","","1934.96","0.1","150","","150","","","","","","","","?","7","P 1 21/n 1","-P 2yn","14","","","","- C5 H17 F2 N2 O14 S2 U2 -","- C5 H17 F2 N2 O14 S2 U2 -","- C20 H68 F8 N8 O56 S8 U8 -","4","1","","Doran, Michael B.; Cockbain, Ben E.; O'Hare, Dermot","Structural variation in organically templated uranium sulfate fluorides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1774","1780","10.1039/b504457j","","","0.71073","MoKα","","0.0575","0.0351","","0.0927","0.0812","0.0812","","","","","","0.8841","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008569","10.8832","0.0002","10.9386","0.0002","16.5325","0.0003","75.6604","0.0008","73.6101","0.0007","89.7726","0.0007","1824.73","0.06","150","","150","","","","","","","","?","7","P -1","-P 1","2","","","","- C12 H36 F4 N4 O25 S4 U4 -","- C12 H36 F4 N4 O25 S4 U4 -","- C24 H72 F8 N8 O50 S8 U8 -","2","1","","Doran, Michael B.; Cockbain, Ben E.; O'Hare, Dermot","Structural variation in organically templated uranium sulfate fluorides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1774","1780","10.1039/b504457j","","","0.71073","MoKα","","0.048","0.0387","","0.0995","0.0945","0.0945","","","","","","0.8816","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008570","6.7745","0.0002","8.1589","0.0002","14.3661","0.0004","90","","94.556","0.001","90","","791.54","0.04","150","","150","","","","","","","","?","7","P 1 21 1","P 2yb","4","","","","- C3 H14 F2 N2 O13 S2 U2 -","- C3 H14 F2 N2 O13 S2 U2 -","- C6 H28 F4 N4 O26 S4 U4 -","2","1","","Doran, Michael B.; Cockbain, Ben E.; O'Hare, Dermot","Structural variation in organically templated uranium sulfate fluorides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1774","1780","10.1039/b504457j","","","0.71073","MoKα","","0.0321","0.0314","","0.0825","0.0819","0.0819","","","","","","0.9297","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008571","5.2157","0.0001","10.1361","0.0003","14.6002","0.0004","82.104","0.001","82.465","0.001","82.137","0.002","752.38","0.03","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 N2 O12 S2 -","- C28 H40 N2 O12 S2 -","- C28 H40 N2 O12 S2 -","1","0.5","","Wallace, Karl J.; Gray, Mark; Zhong, Zhenlin; Lynch, Vincent M.; Anslyn, Eric V.","An artificial siderophore for the detection of iron(III).","Dalton transactions (Cambridge, England : 2003)","2005","","14","2436","2441","10.1039/b504496k","","","0.71073","MoKα","","0.0792","0.0481","","","0.1154","0.1303","","","","","","1.042","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008572","15.4796","0.0006","11.7954","0.0006","15.1196","0.0009","90","","90","","90","","2760.7","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(nickel(ii)tetrahydroxypropylcyclam)(nitrate)","[nickel(II)tetrahydroxypropylcyclam][nitrate]","","- C22 H48 N6 Ni O10 -","- C22 H48 N6 Ni O10 -","- C88 H192 N24 Ni4 O40 -","4","1","","Channa, Asif; Steed, Jonathan W.","Anion and cation binding by a pendant arm cyclam and its macrobicyclic derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2455","2461","10.1039/b504561d","","","0.71073","MoKα","","0.0852","0.0509","","","0.0839","0.0926","","","","","","1.004","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008573","10.8652","0.001","11.9557","0.0008","11.4131","0.0009","90","","103.732","0.004","90","","1440.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-tetrahydroxypropylcyclam","3-tetrahydroxypropylcyclam","","- C22 H50 B2 F8 N4 O4 -","- C22 H50 B2 F8 N4 O4 -","- C44 H100 B4 F16 N8 O8 -","2","0.5","","Channa, Asif; Steed, Jonathan W.","Anion and cation binding by a pendant arm cyclam and its macrobicyclic derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2455","2461","10.1039/b504561d","","","0.71073","MoKα","","0.0884","0.0501","","","0.1238","0.1404","","","","","","1.047","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008574","10.926","0.0004","11.9504","0.0008","11.5955","0.0006","90","","104.449","0.003","90","","1466.14","0.14","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetrahydroxypropylcyclam diperchlorate","tetrahydroxypropylcyclam diperchlorate","","- C22 H50 Cl2 N4 O12 -","- C22 H50 Cl2 N4 O12 -","- C44 H100 Cl4 N8 O24 -","2","0.5","","Channa, Asif; Steed, Jonathan W.","Anion and cation binding by a pendant arm cyclam and its macrobicyclic derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2455","2461","10.1039/b504561d","","","0.71073","MoKα","","0.0515","0.0333","","","0.0833","0.0887","","","","","","1.051","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008575","7.7258","0.0015","7.9552","0.0016","25.987","0.005","91.77","0.03","90.64","0.03","111.41","0.03","1485.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","L1.4H2O","","","- C22 H56 N4 O8 -","- C22 H56 N4 O8 -","- C44 H112 N8 O16 -","2","1","","Channa, Asif; Steed, Jonathan W.","Anion and cation binding by a pendant arm cyclam and its macrobicyclic derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2455","2461","10.1039/b504561d","","","0.71073","MoKα","","0.0822","0.0574","","","0.1349","0.1628","","","","","","1.255","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008576","9.714","0.0011","10.3555","0.0007","18.0585","0.0013","101.519","0.005","104.52","0.005","100.024","0.005","1674.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","nickel(ii)3-hydroxypropylcyclam diperchlorate","nickel(II)3-hydroxypropylcyclam diperchlorate","","- C23 H50 Cl5 N4 Ni O12.5 -","- C23 H49 Cl5 N4 Ni O12.5 -","- C46 H98 Cl10 N8 Ni2 O25 -","2","1","","Channa, Asif; Steed, Jonathan W.","Anion and cation binding by a pendant arm cyclam and its macrobicyclic derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2455","2461","10.1039/b504561d","","","0.71073","MoKα","","0.1193","0.0837","","","0.1958","0.218","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008577","17.0421","0.0015","8.2819","0.0006","20.5152","0.0015","90","","105.08","0.004","90","","2795.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Copper(ii)(THPC)diacetate.chloride","","","- C24.6 H52.3 Cl0.7 Cu N4 O6.8 -","- C24.3 H51 Cl0.7 Cu N4 O6.8 -","- C97.2 H204 Cl2.8 Cu4 N16 O27.2 -","4","1","","Channa, Asif; Steed, Jonathan W.","Anion and cation binding by a pendant arm cyclam and its macrobicyclic derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2455","2461","10.1039/b504561d","","","0.71073","MoKα","","0.1142","0.0696","","","0.1069","0.118","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008578","17.182","0.003","17.856","0.004","23.319","0.005","103.37","0.03","91.54","0.03","105.97","0.03","6660","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H114 N18 O42 Pd3 -","- C102 H114 N18 O42 Pd3 -","- C204 H228 N36 O84 Pd6 -","2","1","","Li, Sheng-Hui; Huang, Hai-Ping; Yu, Shu-Yan; Li, Yi-Zhi; Huang, Hui; Sei, Yoshihisa; Yamaguchi, Kentaro","Self-assembly of coordination molecular baskets as inorganic analogues of cyclotriveratrylenes (CTV).","Dalton transactions (Cambridge, England : 2003)","2005","","14","2346","2348","10.1039/b504639d","","","0.71073","MoKα","","0.0874","0.0558","","","0.1092","0.1159","","","","","","1.03","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008579","13.746","0.0014","14.81","0.004","15.067","0.003","100.87","0.02","111.407","0.009","111.286","0.018","2471.9","1.1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H90 F24 N18 O10 P4 Ru2 -","- C88 H87 F24 N18 O10 P4 Ru2 -","- C88 H87 F24 N18 O10 P4 Ru2 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Smith, Christopher B.","Formation of [2 + 2] diruthenium(II) metallomacrocycles from ligands containing 2,2':6',2''-terpyridine domains linked through flexible polyethyleneoxy spacers.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2259","2267","10.1039/b504670j","","","0.71073","MoKα","","0.1073","0.0598","","0.0712","0.0535","0.0535","","","","","","1.1083","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008580","8.36","0.008","15.497","0.009","20.712","0.01","73.44","0.04","84.71","0.08","83.69","0.08","2551","3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C86 H91 F24 N13 O16 P4 Ru2 -","- C86 H91 F24 N13 O16 P4 Ru2 -","- C86 H91 F24 N13 O16 P4 Ru2 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Smith, Christopher B.","Formation of [2 + 2] diruthenium(II) metallomacrocycles from ligands containing 2,2':6',2''-terpyridine domains linked through flexible polyethyleneoxy spacers.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2259","2267","10.1039/b504670j","","","0.71073","MoKα","","0.1092","0.1092","","0.101","0.101","0.101","","","","","","1.0107","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008581","10.8793","0.0007","9.362","0.0006","34.239","0.002","90","","94.697","0.001","90","","3475.6","0.4","100","2","100","2","","","","","","","Synthesized","6","P 1 21/n 1","-P 2yn","14","Lithium bis(phenylsulfonyl)imide THF solvate","","","- C32 H36 Li2 N2 O10 S4 -","- C32 H36 Li2 N2 O10 S4 -","- C128 H144 Li8 N8 O40 S16 -","4","1","","MacDougall, Dugald J.; Kennedy, Alan R.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis of mono- and geminal dimetalated carbanions of bis(phenylsulfonyl)methane using alkali metal bases and structural comparisons with lithiated bis(phenylsulfonyl)imides.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2084","2091","10.1039/b504730g","","x-ray","0.71073","MoKα","","0.0504","0.0455","","","0.1175","0.1212","","","","","","1.082","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008582","10.7604","0.0006","12.8589","0.0007","16.3444","0.0009","90","","105.549","0.001","90","","2178.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lithium bis(phenylsulfonyl)imide pyridine solvate","","","- C22 H20 Li N3 O4 S2 -","- C22 H20 Li N3 O4 S2 -","- C88 H80 Li4 N12 O16 S8 -","4","1","","MacDougall, Dugald J.; Kennedy, Alan R.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis of mono- and geminal dimetalated carbanions of bis(phenylsulfonyl)methane using alkali metal bases and structural comparisons with lithiated bis(phenylsulfonyl)imides.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2084","2091","10.1039/b504730g","","x-ray","0.71073","MoKα","","0.0376","0.0352","","","0.0954","0.0975","","","","","","1.051","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008583","5.9292","0.0001","27.1577","0.0005","11.2618","0.0002","90","","96.258","0.001","90","","1802.61","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Na O5 S2 -","- C17 H19 Na O5 S2 -","- C68 H76 Na4 O20 S8 -","4","1","","MacDougall, Dugald J.; Kennedy, Alan R.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis of mono- and geminal dimetalated carbanions of bis(phenylsulfonyl)methane using alkali metal bases and structural comparisons with lithiated bis(phenylsulfonyl)imides.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2084","2091","10.1039/b504730g","","","0.71073","MoKα","","0.0566","0.0373","","","0.0841","0.0916","","","","","","1.02","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008584","5.7976","0.0004","34.489","0.003","9.0798","0.0008","90","","103.882","0.002","90","","1762.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Li O5 S2 -","- C17 H19 Li O5 S2 -","- C68 H76 Li4 O20 S8 -","4","1","","MacDougall, Dugald J.; Kennedy, Alan R.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis of mono- and geminal dimetalated carbanions of bis(phenylsulfonyl)methane using alkali metal bases and structural comparisons with lithiated bis(phenylsulfonyl)imides.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2084","2091","10.1039/b504730g","","","0.71073","MoKα","","0.1131","0.0559","","","0.1149","0.1339","","","","","","1.011","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008585","11.611","0.005","14.619","0.004","24.489","0.005","90","","94.95","0.03","90","","4141","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 F6 P7 Ru -","- C41 H35 F6 P7 Ru -","- C164 H140 F24 P28 Ru4 -","4","1","","Di Vaira, Massimo; Frediani, Piero; Costantini, Stefano Seniori; Peruzzini, Maurizio; Stoppioni, Piero","Easy hydrolysis of white phosphorus coordinated to ruthenium.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2234","2236","10.1039/b504795a","","","0.71069","MoKα","","0.1145","0.0666","","","0.1758","0.2027","","","","","","0.996","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008586","10.107","0.001","18.603","0.002","20.228","0.003","90","","95.95","0.01","90","","3782.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 F6 P4 Ru -","- C41 H38 F6 P4 Ru -","- C164 H152 F24 P16 Ru4 -","4","1","","Di Vaira, Massimo; Frediani, Piero; Costantini, Stefano Seniori; Peruzzini, Maurizio; Stoppioni, Piero","Easy hydrolysis of white phosphorus coordinated to ruthenium.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2234","2236","10.1039/b504795a","","","0.71069","MoKα","","0.0834","0.0548","","","0.1557","0.1731","","","","","","1.021","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008587","13.5307","0.0005","15.3927","0.0006","18.8517","0.0007","90","","96.022","0.001","90","","3904.7","0.3","173","2","173","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 Au2 B2 Cl4 F8 N4 O2 P2 Pd2 -","- C74 H82 Au2 B2 Cl4 F8 N4 O2 P2 Pd2 -","- C148 H164 Au4 B4 Cl8 F16 N8 O4 P4 Pd4 -","2","0.5","","Singh, Anupam; Sharp, Paul R.","Palladium-gold oxo complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2080","2081","10.1039/b504808g","","","0.71073","MoKα","","0.0349","0.0269","","","0.0608","0.0635","","","","","","1.031","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008588","18.385","0.003","17.993","0.003","21.862","0.004","90","","109.413","0.003","90","","6821","2","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C121 H131 Au B3 F12 N8 O3 P Pd4 -","- C121 H131 Au B3 F12 N8 O3 P Pd4 -","- C242 H262 Au2 B6 F24 N16 O6 P2 Pd8 -","2","1","","Singh, Anupam; Sharp, Paul R.","Palladium-gold oxo complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2080","2081","10.1039/b504808g","","","0.71073","MoKα","","0.1072","0.074","","","0.1844","0.2082","","","","","","1.058","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008589","13.712","0.003","13.783","0.003","24.527","0.005","86.32","0.03","84.45","0.03","73.91","0.03","4429.6","1.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","tetra(15-crown-5)heptakis(mu-fluoro)tetrakisgadolinium(III) pentakis(hexafluoroarsenate) sulphur dioxide solvate","","- C40 H80 As5 F37 Gd4 O32 S6 -","- C40 H80 As5 F37 Gd4 O32 S6 -","- C80 H160 As10 F74 Gd8 O64 S12 -","2","1","","Deacon, Glen B.; Evans, David J.; Junk, Peter C.; Lork, Enno; Mews, Rüdiger; Zemva, Boris","Stabilising small clusters: synthesis and characterisation of thermolabile [Gd4F7(15-crown-5)4][AsF6]5.6 SO2.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2237","2238","10.1039/b504819b","","","0.71073","MoKα","","0.1261","0.0768","","","0.176","0.2033","","","","","","1.025","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008590","14.13","0.002","14.13","0.002","49.48","0.014","90","","90","","120","","8555","3","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","03039","","","- C48 H36 Cu3 N12 Nd2 O30 -","- C48 H36 Cu3 N12 Nd2 O30 -","- C288 H216 Cu18 N72 Nd12 O180 -","6","0.166667","","Gunning, Noel S.; Cahill, Christopher L.","Novel coordination polymers and structural systematics in the hydrothermal M,M' trans-3(-3-pyridyl)acrylic acid system.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2788","2792","10.1039/b504862a","","","0.71073","MoKα","","0.0658","0.0437","","","0.1096","0.1332","","","","","","1.03","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008591","6.2543","0.0009","12.7228","0.0018","15.635","0.002","112.093","0.002","90.608","0.002","94.739","0.002","1147.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","03069a","","","- C24 H20 N3 Nd O7 -","- C24 H20 N3 Nd O7 -","- C48 H40 N6 Nd2 O14 -","2","1","","Gunning, Noel S.; Cahill, Christopher L.","Novel coordination polymers and structural systematics in the hydrothermal M,M' trans-3(-3-pyridyl)acrylic acid system.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2788","2792","10.1039/b504862a","","","0.71073","MoKα","","0.0321","0.0279","","","0.0679","0.07","","","","","","1.044","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008592","7.4035","0.0011","12.2381","0.0018","8.932","0.0013","90","","106.19","0.002","90","","777.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","03067a","","","- C16 H16 Cu N2 O6 -","- C16 H16 Cu N2 O6 -","- C32 H32 Cu2 N4 O12 -","2","0.5","","Gunning, Noel S.; Cahill, Christopher L.","Novel coordination polymers and structural systematics in the hydrothermal M,M' trans-3(-3-pyridyl)acrylic acid system.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2788","2792","10.1039/b504862a","","","0.71073","MoKα","","0.0378","0.0309","","","0.0796","0.0836","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008593","8.937","0.007","10.803","0.008","14.305","0.011","106.821","0.013","100.367","0.014","98.199","0.013","1272.3","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N6 Ni O3 S2 -","- C25 H22 N6 Ni O3 S2 -","- C50 H44 N12 Ni2 O6 S4 -","2","1","","Kumar Singh, Akhilesh; Mukherjee, Rabindranath","Structure and properties of bivalent nickel and copper complexes with pyrazine-amide-thioether coordination: stabilization of trivalent nickel.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2886","2891","10.1039/b504893a","","","0.71073","MoKα","","0.118","0.0548","","","0.1229","0.14","","","","","","0.952","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008594","11.243","0.005","13.823","0.005","16.083","0.005","90","","90","","90","","2499.5","1.6","100","2","100","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C25 H20 Cl2 Cu N6 O2 S2 -","- C25 H20 Cl2 Cu N6 O2 S2 -","- C100 H80 Cl8 Cu4 N24 O8 S8 -","4","0.5","","Kumar Singh, Akhilesh; Mukherjee, Rabindranath","Structure and properties of bivalent nickel and copper complexes with pyrazine-amide-thioether coordination: stabilization of trivalent nickel.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2886","2891","10.1039/b504893a","","","0.71069","MoKα","","0.0428","0.036","","","0.0894","0.0928","","","","","","1.029","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008595","16.7701","0.0007","16.7701","0.0007","34.138","0.002","90","","90","","120","","8314.6","0.7","180","2","180","2","","","","","","","","5","R -3 :H","-R 3","148","[Cu~2~(CN)L^1^]~2~[Cu~6~(CN)~12~].6(C~2~H~6~O).H~2~O","","","- C98 H146 Cu10 N30 O7 -","- C98 H144 Cu10 N30 O7 -","- C294 H432 Cu30 N90 O21 -","3","0.166667","","Bond, Andrew D.; Derossi, Sofia; Harding, Charles J.; McInnes, Eric J. L.; McKee, Vickie; McKenzie, Christine J.; Nelson, Jane; Wolowska, Joanna","Cascade complexation: a single cyano bridge links a pair of Cu(II) cations.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2403","2409","10.1039/b504916d","","","0.71073","MoKα","","0.0713","0.0485","","","0.1501","0.1648","","","","","","1.183","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008596","10.385","0.002","10.385","0.002","24.107","0.007","90","","90","","120","","2251.6","0.9","180","2","180","2","","","","","","","","6","P 63/m","-P 6c","176","[Cu~2~(CN)L^2^](ClO~4~)~3~","","","- C37 H54 Cl3 Cu2 N9 O12 -","- C37 H54 Cl3.02 Cu2 N9 O11.96 -","- C74 H108 Cl6.04 Cu4 N18 O23.92 -","2","0.166667","","Bond, Andrew D.; Derossi, Sofia; Harding, Charles J.; McInnes, Eric J. L.; McKee, Vickie; McKenzie, Christine J.; Nelson, Jane; Wolowska, Joanna","Cascade complexation: a single cyano bridge links a pair of Cu(II) cations.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2403","2409","10.1039/b504916d","","","0.71073","MoKα","","0.0938","0.056","","","0.1414","0.1616","","","","","","1.051","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008597","16.201","0.005","24.234","0.012","27.799","0.008","90","","90","","90","","10914","7","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Cu~2~(CN)L^3^](CF~3~O~3~S)~3~.3H~2~O","","","- C34 H54 Cu2 F9 N9 O15 S3 -","- C34 H48 Cu2 F9 N9 O15 S3 -","- C272 H384 Cu16 F72 N72 O120 S24 -","8","1","","Bond, Andrew D.; Derossi, Sofia; Harding, Charles J.; McInnes, Eric J. L.; McKee, Vickie; McKenzie, Christine J.; Nelson, Jane; Wolowska, Joanna","Cascade complexation: a single cyano bridge links a pair of Cu(II) cations.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2403","2409","10.1039/b504916d","","","0.71073","MoKα","","0.2469","0.1103","","","0.2586","0.3337","","","","","","1.017","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008598","8.1794","0.0011","11.3535","0.0015","14.2539","0.0019","90","","96.253","0.002","90","","1315.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cu O5 S2 -","- C12 H10 Cu O5 S2 -","- C48 H40 Cu4 O20 S8 -","4","0.5","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.0759","0.0632","","","0.1556","0.1629","","","","","","1.062","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008599","7.4514","0.0007","23.556","0.002","7.3272","0.0007","90","","91.579","0.002","90","","1285.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O4 S2 Zn -","- C12 H10 O4 S2 Zn -","- C48 H40 O16 S8 Zn4 -","4","1","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.0418","0.0356","","","0.0741","0.0763","","","","","","1.09","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008600","7.4626","0.0008","23.583","0.003","7.2977","0.0008","90","","91.154","0.002","90","","1284.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Co O4 S2 -","- C12 H10 Co O4 S2 -","- C48 H40 Co4 O16 S8 -","4","1","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.0717","0.064","","","0.1656","0.1683","","","","","","1.291","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008601","4.8648","0.0003","16.7242","0.0012","23.6399","0.0017","90","","90","","90","","1923.3","0.2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H26 Ni O14 -","- C12 H26 Ni O14 -","- C48 H104 Ni4 O56 -","4","0.5","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.0436","0.0326","","","0.0665","0.0703","","","","","","1.079","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008602","11.3244","0.0014","15.86","0.002","17.356","0.002","88.703","0.002","81.334","0.002","78.963","0.002","3024.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H36 Co N3 O5 S5 -","- C21 H24 Co N3 O3 S3 -","- C84 H96 Co4 N12 O12 S12 -","4","2","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.1189","0.0703","","","0.1603","0.1748","","","","","","0.899","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008603","15.6574","0.0018","15.6574","0.0018","15.54","0.004","90","","90","","120","","3299.3","1","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C21 H24 Fe N3 O3 S3 -","- C21 H24 Fe N3 O3 S3 -","- C126 H144 Fe6 N18 O18 S18 -","6","0.333333","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.0296","0.0281","","","0.0608","0.0612","","","","","","1.161","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008604","7.4626","0.0007","19.3473","0.0018","22.73","0.002","90","","90","","90","","3281.8","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 N2 Ni O3 S2 -","- C15 H20 N2 Ni O3 S2 -","- C120 H160 N16 Ni8 O24 S16 -","8","1","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.0634","0.0462","","","0.0913","0.097","","","","","","1.092","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008605","7.0152","0.0006","14.9663","0.0013","12.7659","0.0011","90","","105.918","0.001","90","","1288.92","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","- C48 H48 Cu4 N8 O8 S8 -","4","1","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.0463","0.0431","","","0.1068","0.1085","","","","","","1.139","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008606","25.738","0.003","8.2241","0.0009","12.2965","0.0014","90","","90","","90","","2602.8","0.5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H12 N2 O2 S2 Zn -","- C12 H12 N2 O2 S2 Zn -","- C96 H96 N16 O16 S16 Zn8 -","8","0.5","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.0327","0.0321","","","0.0803","0.0806","","","","","","1.144","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008607","8.0643","0.001","13.0693","0.0016","7.3767","0.0009","90","","97.56","0.002","90","","770.71","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Mn N10 O2 -","- C12 H12 Mn N10 O2 -","- C24 H24 Mn2 N20 O4 -","2","0.5","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.","Synthesis and structures of 5-(pyridyl)tetrazole complexes of Mn(II).","Dalton transactions (Cambridge, England : 2003)","2005","","14","2388","2394","10.1039/b505077d","","","0.71073","MoKα","","0.0496","0.0324","","","0.0657","0.0709","","","","","","1.147","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008608","7.1817","0.0017","21.684","0.005","12.347","0.003","90","","94.789","0.007","90","","1916.1","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Mn N12 O4 -","- C15 H16 Mn N12 O4 -","- C60 H64 Mn4 N48 O16 -","4","1","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.","Synthesis and structures of 5-(pyridyl)tetrazole complexes of Mn(II).","Dalton transactions (Cambridge, England : 2003)","2005","","14","2388","2394","10.1039/b505077d","","","0.6948","synchrotron","","0.0554","0.0414","","","0.1009","0.1086","","","","","","1.023","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008609","7.3932","0.0007","7.8646","0.0007","8.5723","0.0008","91.007","0.002","93.011","0.002","100.789","0.002","488.76","0.08","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Mn N10 O6 -","- C12 H20 Mn N10 O6 -","- C12 H20 Mn N10 O6 -","1","0.5","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.","Synthesis and structures of 5-(pyridyl)tetrazole complexes of Mn(II).","Dalton transactions (Cambridge, England : 2003)","2005","","14","2388","2394","10.1039/b505077d","","","0.71073","MoKα","","0.0451","0.0407","","","0.0877","0.0894","","","","","","1.166","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008610","11.69","0.002","23.912","0.005","19.616","0.004","90","","102.19","0.03","90","","5359.7","1.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H76 Ga K N2 O3 Te2 -","- C50 H76 Ga K N2 O3 Te2 -","- C200 H304 Ga4 K4 N8 O12 Te8 -","4","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc","Oxidation reactions of an anionic gallium(I) N-heterocyclic carbene analogue with group 16 compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2106","2110","10.1039/b505085e","","","0.71073","MoKα","","0.1027","0.0689","","","0.1643","0.183","","","","","","1.029","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008611","12.084","0.002","21.762","0.004","12.374","0.003","90","","103.22","0.03","90","","3167.8","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 Ga2 K2 N4 O2 Te2 -","- C60 H88 Ga2 K2 N4 O2 Te2 -","- C120 H176 Ga4 K4 N8 O4 Te4 -","2","0.5","","Baker, Robert J.; Jones, Cameron; Kloth, Marc","Oxidation reactions of an anionic gallium(I) N-heterocyclic carbene analogue with group 16 compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2106","2110","10.1039/b505085e","","","0.71073","MoKα","","0.068","0.0493","","","0.0985","0.1052","","","","","","1.14","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008612","11.231","0.002","16.36","0.003","22.088","0.004","90","","103.33","0.03","90","","3949.1","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Ga K N2 Se2 -","- C38 H46 Ga K N2 Se2 -","- C152 H184 Ga4 K4 N8 Se8 -","4","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc","Oxidation reactions of an anionic gallium(I) N-heterocyclic carbene analogue with group 16 compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2106","2110","10.1039/b505085e","","","0.71073","MoKα","","0.063","0.0406","","","0.0775","0.0836","","","","","","1.024","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008613","12.498","0.003","12.816","0.003","12.885","0.003","83.87","0.03","65.85","0.03","64.02","0.03","1686.3","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H104 Ga2 K2 N8 O2 -","- C64 H104 Ga2 K2 N8 O2 -","- C64 H104 Ga2 K2 N8 O2 -","1","0.5","","Baker, Robert J.; Jones, Cameron; Kloth, Marc","Oxidation reactions of an anionic gallium(I) N-heterocyclic carbene analogue with group 16 compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2106","2110","10.1039/b505085e","","","0.71073","MoKα","","0.091","0.0642","","","0.1514","0.167","","","","","","1.034","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008614","10.3877","0.0019","15.199","0.003","15.666","0.003","90","","101.456","0.003","90","","2424.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe2 N2 O7 Si -","- C20 H18 Fe2 N2 O7 Si -","- C80 H72 Fe8 N8 O28 Si4 -","4","1","","Xiao, Nu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Synthesis, structure and reactivity of novel pyridazine-coordinated diiron bridging carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3250","3258","10.1039/b505141j","","","0.71073","MoKα","","0.1949","0.0494","","","0.0868","0.1127","","","","","","0.697","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008615","13.213","0.003","10.709","0.002","15.898","0.003","90","","108.427","0.004","90","","2134.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl2 Fe2 N2 O6 -","- C18 H12 Cl2 Fe2 N2 O6 -","- C72 H48 Cl8 Fe8 N8 O24 -","4","1","","Xiao, Nu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Synthesis, structure and reactivity of novel pyridazine-coordinated diiron bridging carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3250","3258","10.1039/b505141j","","","0.71073","MoKα","","0.1506","0.0754","","","0.168","0.1952","","","","","","0.829","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008616","9.0841","0.001","10.5849","0.0011","18.381","0.0019","90","","100.27","0.002","90","","1739.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Fe2 O7 S -","- C15 H8 Fe2 O7 S -","- C60 H32 Fe8 O28 S4 -","4","1","","Xiao, Nu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Synthesis, structure and reactivity of novel pyridazine-coordinated diiron bridging carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3250","3258","10.1039/b505141j","","","0.71073","MoKα","","0.0697","0.0403","","","0.0677","0.074","","","","","","0.792","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008617","7.9","0.003","8.359","0.003","15.538","0.006","86.338","0.007","83.797","0.008","89.919","0.007","1018","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Fe2 O6 S -","- C20 H12 Fe2 O6 S -","- C40 H24 Fe4 O12 S2 -","2","1","","Xiao, Nu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Synthesis, structure and reactivity of novel pyridazine-coordinated diiron bridging carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3250","3258","10.1039/b505141j","","","0.71073","MoKα","","0.2118","0.078","","","0.1713","0.207","","","","","","0.833","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008618","17.4281","0.0013","11.1112","0.0008","13.4739","0.001","90","","92.657","0.001","90","","2606.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H9 Cr Fe2 N3 O11 -","- C23 H9 Cr Fe2 N3 O11 -","- C92 H36 Cr4 Fe8 N12 O44 -","4","1","","Xiao, Nu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Synthesis, structure and reactivity of novel pyridazine-coordinated diiron bridging carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3250","3258","10.1039/b505141j","","","0.71073","MoKα","","0.0637","0.0451","","","0.094","0.1136","","","","","","0.952","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008619","17.685","0.001","22.314","0.002","24.289","0.002","90","","90","","90","","9585","1.3","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Tris(triphenylphosphine)(acetonitrile)copper(I) perchlorate","","- C56 H48 Cl Cu N O4 P3 -","- C56 H48 Cl Cu N O4 P3 -","- C448 H384 Cl8 Cu8 N8 O32 P24 -","8","1","","Hanna, John V.; Boyd, Sue E.; Healy, Peter C.; Bowmaker, Graham A.; Skelton, Brian W.; White, Allan H.","Structural and solid state 31P NMR studies of the four-coordinate copper(I) complexes [Cu(PPh3)3X] and [Cu(PPh3)3(CH3CN)]X.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2547","2556","10.1039/b505200a","","","0.71073","MoKα","","0.106","0.051","","0.079","","0.067","","","1.021","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008620","17.73","0.001","22.28","0.001","24.185","0.001","90","","90","","90","","9553.7","0.8","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Tris(triphenylphosphine)(acetonitrile)copper(I) tetrafluoroborate","","- C56 H48 B Cu F4 N P3 -","- C56 H48 B Cu F4 N P3 -","- C448 H384 B8 Cu8 F32 N8 P24 -","8","1","","Hanna, John V.; Boyd, Sue E.; Healy, Peter C.; Bowmaker, Graham A.; Skelton, Brian W.; White, Allan H.","Structural and solid state 31P NMR studies of the four-coordinate copper(I) complexes [Cu(PPh3)3X] and [Cu(PPh3)3(CH3CN)]X.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2547","2556","10.1039/b505200a","","","0.71073","MoKα","","0.079","0.047","","0.074","","0.064","","","1.011","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008621","10.485","0.002","13.189","0.002","19.451","0.004","104.136","0.004","104.592","0.004","93.839","0.005","2500.5","0.8","150","","150","","","","","","","","","7","P -1","-P 1","2","","Tris(triphenylphosphine)(acetonitrile)copper(I) pentafluorosilicate acetonitrile solvate","","- C58 H51 Cu F5 N2 P3 Si -","- C58 H51 Cu F5 N2 P3 Si -","- C116 H102 Cu2 F10 N4 P6 Si2 -","2","1","","Hanna, John V.; Boyd, Sue E.; Healy, Peter C.; Bowmaker, Graham A.; Skelton, Brian W.; White, Allan H.","Structural and solid state 31P NMR studies of the four-coordinate copper(I) complexes [Cu(PPh3)3X] and [Cu(PPh3)3(CH3CN)]X.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2547","2556","10.1039/b505200a","","","0.71073","MoKα","","0.06","0.043","","0.059","","0.055","","","1.034","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008622","10.5757","0.0008","13.246","0.001","19.597","0.002","104.18","0.002","104.139","0.002","93.938","0.002","2556.8","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","Tris(triphenylphosphine)(acetonitrile)copper(I) hexfluorophosphate acetonitrile solvate","","- C58 H51 Cu F6 N2 P4 -","- C58 H51 Cu F6 N2 P4 -","- C116 H102 Cu2 F12 N4 P8 -","2","1","","Hanna, John V.; Boyd, Sue E.; Healy, Peter C.; Bowmaker, Graham A.; Skelton, Brian W.; White, Allan H.","Structural and solid state 31P NMR studies of the four-coordinate copper(I) complexes [Cu(PPh3)3X] and [Cu(PPh3)3(CH3CN)]X.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2547","2556","10.1039/b505200a","","","0.71073","MoKα","","0.062","0.042","","0.053","","0.049","","","0.988","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008623","10.7732","0.0006","11.7293","0.0006","21.4925","0.0011","90","","97.692","0.002","90","","2691.4","0.2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H25 B10 O7 P Ru3 S -","- C13 H25 B10 O7 P Ru3 S -","- C52 H100 B40 O28 P4 Ru12 S4 -","4","1","","McGrath, Thomas D.; Stone, F Gordon A; Sukcharoenphon, Kengkaj","Substitution, cage functionalization, and oxidation of the charge-compensated triruthenium monocarbollide cluster complex [1-SMe2-2,2-(CO)2-7,11-(mu-H)2-2,7,11-{Ru2(CO)6}-closo-2,1-RuCB10H8].","Dalton transactions (Cambridge, England : 2003)","2005","","15","2500","2507","10.1039/b505243b","","","0.71073","MoKα","","0.0453","0.0275","","","0.0589","0.0626","","","","","","1.059","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008624","11.878","0.004","19.443","0.008","19.706","0.007","107.28","0.02","100.15","0.02","94.4","0.02","4237","3","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H51 B10 Cl2 O7 P Ru3 S -","- C29 H51 B10 Cl2 O7 P Ru3 S -","- C116 H204 B40 Cl8 O28 P4 Ru12 S4 -","4","2","","McGrath, Thomas D.; Stone, F Gordon A; Sukcharoenphon, Kengkaj","Substitution, cage functionalization, and oxidation of the charge-compensated triruthenium monocarbollide cluster complex [1-SMe2-2,2-(CO)2-7,11-(mu-H)2-2,7,11-{Ru2(CO)6}-closo-2,1-RuCB10H8].","Dalton transactions (Cambridge, England : 2003)","2005","","15","2500","2507","10.1039/b505243b","","","0.71073","MoKα","","0.0759","0.0435","","","0.095","0.1044","","","","","","0.878","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008625","12.0673","0.0008","12.1253","0.0009","23.2231","0.0016","98.947","0.003","91.021","0.004","109.356","0.003","3158.1","0.4","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C55.8 H69.6 B10 Fe O9.2 P2 Ru3 S -","- C55.668 H69.336 B10 Fe O9.167 P2 Ru3 S -","- C111.336 H138.672 B20 Fe2 O18.334 P4 Ru6 S2 -","2","1","","McGrath, Thomas D.; Stone, F Gordon A; Sukcharoenphon, Kengkaj","Substitution, cage functionalization, and oxidation of the charge-compensated triruthenium monocarbollide cluster complex [1-SMe2-2,2-(CO)2-7,11-(mu-H)2-2,7,11-{Ru2(CO)6}-closo-2,1-RuCB10H8].","Dalton transactions (Cambridge, England : 2003)","2005","","15","2500","2507","10.1039/b505243b","","","0.71073","MoKα","","0.0812","0.0489","","","0.0899","0.1059","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008626","11.861","0.002","38.045","0.008","12.413","0.003","90","","94.27","0.03","90","","5586","2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 B20 Cl2 O6 P2 Ru3 S -","- C35.358 H46.716 B20 Cl0.716 O6 P2 Ru3 S -","- C141.432 H186.864 B80 Cl2.864 O24 P8 Ru12 S4 -","4","1","","McGrath, Thomas D.; Stone, F Gordon A; Sukcharoenphon, Kengkaj","Substitution, cage functionalization, and oxidation of the charge-compensated triruthenium monocarbollide cluster complex [1-SMe2-2,2-(CO)2-7,11-(mu-H)2-2,7,11-{Ru2(CO)6}-closo-2,1-RuCB10H8].","Dalton transactions (Cambridge, England : 2003)","2005","","15","2500","2507","10.1039/b505243b","","","0.71073","MoKα","","0.2217","0.1059","","","0.225","0.2549","","","","","","0.982","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008627","16.336","0.003","13.428","0.002","16.324","0.003","90","","118.522","0.006","90","","3146.2","1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H34 B10 O6 Ru3 S3 -","- C17 H34 B10 O6 Ru3 S3 -","- C68 H136 B40 O24 Ru12 S12 -","4","1","","McGrath, Thomas D.; Stone, F Gordon A; Sukcharoenphon, Kengkaj","Substitution, cage functionalization, and oxidation of the charge-compensated triruthenium monocarbollide cluster complex [1-SMe2-2,2-(CO)2-7,11-(mu-H)2-2,7,11-{Ru2(CO)6}-closo-2,1-RuCB10H8].","Dalton transactions (Cambridge, England : 2003)","2005","","15","2500","2507","10.1039/b505243b","","","0.71073","MoKα","","0.0314","0.0232","","","0.0559","0.058","","","","","","1.05","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008628","42.274","0.006","10.7571","0.0017","17.195","0.003","90","","113.84","0.007","90","","7152","2","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22.25 H36.5 B10 Cl0.5 O7 Ru3 S -","- C22.25 H36.5 B10 Cl0.5 O7 Ru3 S -","- C178 H292 B80 Cl4 O56 Ru24 S8 -","8","1","","McGrath, Thomas D.; Stone, F Gordon A; Sukcharoenphon, Kengkaj","Substitution, cage functionalization, and oxidation of the charge-compensated triruthenium monocarbollide cluster complex [1-SMe2-2,2-(CO)2-7,11-(mu-H)2-2,7,11-{Ru2(CO)6}-closo-2,1-RuCB10H8].","Dalton transactions (Cambridge, England : 2003)","2005","","15","2500","2507","10.1039/b505243b","","","0.71073","MoKα","","0.0814","0.0399","","","0.0819","0.0928","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008629","16.812","0.002","10.5893","0.0012","10.5479","0.0011","90","","90","","90","","1877.8","0.4","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C7 H18 B10 Cl2 O3 Ru S -","- C7 H18 B10 Cl2 O3 Ru S -","- C28 H72 B40 Cl8 O12 Ru4 S4 -","4","1","","McGrath, Thomas D.; Stone, F Gordon A; Sukcharoenphon, Kengkaj","Substitution, cage functionalization, and oxidation of the charge-compensated triruthenium monocarbollide cluster complex [1-SMe2-2,2-(CO)2-7,11-(mu-H)2-2,7,11-{Ru2(CO)6}-closo-2,1-RuCB10H8].","Dalton transactions (Cambridge, England : 2003)","2005","","15","2500","2507","10.1039/b505243b","","","0.71073","MoKα","","0.1004","0.0531","","","0.1078","0.1242","","","","","","0.966","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008630","13.7375","0.0004","13.7375","0.0004","21.5674","0.0006","90","","90","","120","","3524.88","0.18","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H32 Cl Mn N12 Ni2 O11 -","- C36 H30 Cl1.02 Mn N12 Ni2 O11.07 -","- C108 H90 Cl3.06 Mn3 N36 Ni6 O33.21 -","3","0.166667","","Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Chaudhuri, Phalguni","A magnetostructural study of linear NiII MnIII NiII, NiII CrIII NiII and triangular Ni(II)3 species containing (pyridine-2-aldoximato)nickel(II) unit as a building block.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2539","2546","10.1039/b505302a","","","0.71073","MoKα","","0.0359","0.0325","","","0.0944","0.097","","","","","","1.091","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008631","13.6398","0.0003","13.6398","0.0003","21.5949","0.0005","90","","90","","120","","3479.35","0.13","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H30 Cl Cr N12 Ni2 O10 -","- C36 H30 Cl1.02 Cr N12 Ni2 O10.08 -","- C108 H90 Cl3.06 Cr3 N36 Ni6 O30.24 -","3","0.166667","","Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Chaudhuri, Phalguni","A magnetostructural study of linear NiII MnIII NiII, NiII CrIII NiII and triangular Ni(II)3 species containing (pyridine-2-aldoximato)nickel(II) unit as a building block.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2539","2546","10.1039/b505302a","","","0.71073","MoKα","","0.0383","0.0349","","","0.1088","0.1118","","","","","","1.11","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008632","11.1498","0.0003","15.8194","0.0003","23.9548","0.0006","90","","102.13","0.01","90","","4130.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cl N13 Ni3 O10 -","- C38 H34 Cl N13 Ni3 O10 -","- C152 H136 Cl4 N52 Ni12 O40 -","4","1","","Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Chaudhuri, Phalguni","A magnetostructural study of linear NiII MnIII NiII, NiII CrIII NiII and triangular Ni(II)3 species containing (pyridine-2-aldoximato)nickel(II) unit as a building block.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2539","2546","10.1039/b505302a","","","0.71073","MoKα","","0.0461","0.0355","","0.0821","0.0726","","","","1.052","1.087","1.087","","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008633","9.7631","0.0013","10.852","0.0017","17.345","0.003","85.217","0.003","76.467","0.003","88.987","0.003","1780.4","0.5","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 N2 O6 Sb2 -","- C40 H34 N2 O6 Sb2 -","- C80 H68 N4 O12 Sb4 -","2","1","","Tanski, Joseph M.; Kelly, Bryte V.; Parkin, Gerard","Multidentate aryloxide and oxo-aryloxide complexes of antimony: synthesis and structural characterization of [eta4-N(o-C6H4O)3]Sb(OSMe2), {{[eta3-N(o-C6H4OH)- (o-C6H4O)2]Sb}2(mu2-O)}2 and {[eta3-PhN(o-C6H4O)2]Sb}4(mu3-O)2.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2442","2447","10.1039/b505308k","","","0.71073","MoKα","","0.1278","0.0681","","","0.1785","0.2006","","","","","","1.039","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008634","8.4517","0.001","8.7336","0.0011","13.9596","0.0016","96.289","0.002","90.953","0.002","112.482","0.002","944.4","0.2","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 N O4 S Sb -","- C20 H18 N O4 S Sb -","- C40 H36 N2 O8 S2 Sb2 -","2","1","","Tanski, Joseph M.; Kelly, Bryte V.; Parkin, Gerard","Multidentate aryloxide and oxo-aryloxide complexes of antimony: synthesis and structural characterization of [eta4-N(o-C6H4O)3]Sb(OSMe2), {{[eta3-N(o-C6H4OH)- (o-C6H4O)2]Sb}2(mu2-O)}2 and {[eta3-PhN(o-C6H4O)2]Sb}4(mu3-O)2.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2442","2447","10.1039/b505308k","","","0.71073","MoKα","","0.0426","0.0395","","","0.1083","0.1111","","","","","","1.032","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008635","13.1256","0.0007","13.3738","0.0008","14.4188","0.0008","111.544","0.001","99.969","0.001","108.335","0.001","2111.9","0.2","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.72 H43.44 N2 O9.18 Sb2 -","- C44.72 H43.44 N2 O9.18 Sb2 -","- C89.44 H86.88 N4 O18.36 Sb4 -","2","1","","Tanski, Joseph M.; Kelly, Bryte V.; Parkin, Gerard","Multidentate aryloxide and oxo-aryloxide complexes of antimony: synthesis and structural characterization of [eta4-N(o-C6H4O)3]Sb(OSMe2), {{[eta3-N(o-C6H4OH)- (o-C6H4O)2]Sb}2(mu2-O)}2 and {[eta3-PhN(o-C6H4O)2]Sb}4(mu3-O)2.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2442","2447","10.1039/b505308k","","","0.71073","MoKα","","0.0471","0.0335","","","0.088","0.0962","","","","","","1.007","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7008636","8.839","0.002","9.0555","0.0014","10.5957","0.0016","105.96","0.011","98.053","0.017","109.828","0.015","741.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","((Eu2Mn(4H2O))(O2C(CH2)3CO2)4)(2H2O)","","","- C20 H36 Eu2 Mn O22 -","- C20 H12 Eu2 Mn O22 -","- C20 H12 Eu2 Mn O22 -","1","0.5","","Kim, Yoojin; Park, Yunju; Jung, Duk-Young","Two-dimensional carboxylate bridged network of europium(III)-transition metal(II) glutarate compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2603","2608","10.1039/b505384f","","","0.71073","MoKα","","0.0525","0.0434","","","0.107","0.1155","","","","","","1.109","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008637","10.3466","0.0017","11.726","0.002","12.6124","0.0019","74.512","0.012","84.358","0.011","81.316","0.013","1455","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","((Eu2Fe(4H2O))(O2C(CH2)3CO2)4)(2H2O)","","","- C20 H36 Eu2 Fe O22 -","- C20 H24 Eu2 Fe O22 -","- C40 H48 Eu4 Fe2 O44 -","2","1","","Kim, Yoojin; Park, Yunju; Jung, Duk-Young","Two-dimensional carboxylate bridged network of europium(III)-transition metal(II) glutarate compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2603","2608","10.1039/b505384f","","","0.71073","MoKα","","0.0384","0.0368","","","0.0983","0.1003","","","","","","1.06","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008638","10.4024","0.0015","11.75","0.002","12.679","0.002","74.606","0.013","84.189","0.009","81.296","0.011","1473.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","((Eu2Co(4H2O))(O2C(CH2)3CO2)4)(2H2O)","","","- C20 H36 Co Eu2 O22 -","- C20 H24 Co Eu2 O22 -","- C40 H48 Co2 Eu4 O44 -","2","1","","Kim, Yoojin; Park, Yunju; Jung, Duk-Young","Two-dimensional carboxylate bridged network of europium(III)-transition metal(II) glutarate compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2603","2608","10.1039/b505384f","","","0.71073","MoKα","","0.0741","0.0712","","","0.1739","0.1811","","","","","","1.041","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008639","8.899","0.002","9.21","0.002","10.087","0.003","106.055","0.005","97.118","0.004","110.197","0.004","723.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(Eu2Ni(4H2O)(O2C(CH2)CO2)4)(2H2O)","","","- C20 H36 Eu2 Ni O22 -","- C20 H36 Eu2 Ni O22 -","- C20 H36 Eu2 Ni O22 -","1","0.5","","Kim, Yoojin; Park, Yunju; Jung, Duk-Young","Two-dimensional carboxylate bridged network of europium(III)-transition metal(II) glutarate compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2603","2608","10.1039/b505384f","","","0.71073","MoKα","","0.0295","0.0265","","","0.0677","0.0697","","","","","","1.056","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008640","10.6494","0.0016","10.6494","0.0016","18.205","0.004","90","","90","","90","","2064.6","0.6","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C24 H60 B2 F8 O12 P4 Pt -","- C24 H60 B2 F8 O12 P4 Pt -","- C48 H120 B4 F16 O24 P8 Pt2 -","2","0.125","","Albertin, Gabriele; Antoniutti, Stefano; Busato, Christian; Castro, Jesús; Garcia-Fontán, Soledad","Preparation and reactivity of penta- and tetracoordinate platinum(II) hydride complexes with P(OEt)3 and PPh(OEt)2 phosphite ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2641","2649","10.1039/b505453b","","","0.71073","MoKα","","0.0344","0.0342","","","0.0838","0.0839","","","","","","1.056","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008641","8.473","0.0001","14.002","0.0002","30.492","0.0006","90","","91.167","0.001","90","","3616.79","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Structure 1 h03prr50","","- C42 H32 N2 O4 P2 Pt -","- C42 H32 N2 O4 P2 Pt -","- C168 H128 N8 O16 P8 Pt4 -","4","1","","Saha, Ramkrishna; Qaium, Md Abdul; Debnath, Dipen; Younus, Muhammad; Chawdhury, Nazia; Sultana, Nasim; Kociok-Köhn, Gabriele; Ooi, Li-Ling; Raithby, Paul R.; Kijima, Masashi","A new series of luminescent phosphine stabilised platinum ethynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2760","2765","10.1039/b505484b","","","0.71073","MoKα","","0.0743","0.0426","","","0.1124","0.1585","","","","","","1.165","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008642","8.618","0.0001","13.979","0.0002","29.909","0.0004","90","","91.853","0.001","90","","3601.28","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Structure 2","","","- C44 H38 P2 Pt -","- C44 H38 P2 Pt -","- C176 H152 P8 Pt4 -","4","1","","Saha, Ramkrishna; Qaium, Md Abdul; Debnath, Dipen; Younus, Muhammad; Chawdhury, Nazia; Sultana, Nasim; Kociok-Köhn, Gabriele; Ooi, Li-Ling; Raithby, Paul R.; Kijima, Masashi","A new series of luminescent phosphine stabilised platinum ethynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2760","2765","10.1039/b505484b","","","0.71073","MoKα","","0.0515","0.0404","","","0.1015","0.1095","","","","","","1.038","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008643","16.3404","0.0002","8.9013","0.0001","32.8872","0.0005","90","","95.902","0.001","90","","4758.11","0.11","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Structure 4 k03prr32","","","- C61 H49 P2 Pt -","- C61 H49 P2 Pt -","- C244 H196 P8 Pt4 -","4","1","","Saha, Ramkrishna; Qaium, Md Abdul; Debnath, Dipen; Younus, Muhammad; Chawdhury, Nazia; Sultana, Nasim; Kociok-Köhn, Gabriele; Ooi, Li-Ling; Raithby, Paul R.; Kijima, Masashi","A new series of luminescent phosphine stabilised platinum ethynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2760","2765","10.1039/b505484b","","","0.71073","MoKα","","0.0669","0.0422","","","0.1018","0.13","","","","","","1.08","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008644","13.855","0.001","13.855","0.001","29.57","0.009","90","","90","","90","","5676.3","1.8","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H16 Cl8 Co3 O4 -","- C24 H16 Cl8 Co3 O4 -","- C192 H128 Cl64 Co24 O32 -","8","0.5","","Braga, Dario; Polito, Marco; Giaffreda, Stefano L.; Grepioni, Fabrizia","Novel organometallic building blocks for molecular crystal engineering. Part 4. Synthesis and characterization of mono- and bis-amido derivatives of [Co(III)(eta5-C5H4COOH)2]+ and their utilization as ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2766","2773","10.1039/b505521k","","","0.71073","MoKα","","0.049","0.0442","","","0.1229","0.1273","","","","","","1.043","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008645","7.232","0.002","12.581","0.003","13.607","0.007","88.91","0.03","79.74","0.03","89.46","0.02","1218","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H22 Co F6 N4 O2 P -","- C24 H22 Co F6 N4 O2 P -","- C48 H44 Co2 F12 N8 O4 P2 -","2","1","","Braga, Dario; Polito, Marco; Giaffreda, Stefano L.; Grepioni, Fabrizia","Novel organometallic building blocks for molecular crystal engineering. Part 4. Synthesis and characterization of mono- and bis-amido derivatives of [Co(III)(eta5-C5H4COOH)2]+ and their utilization as ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2766","2773","10.1039/b505521k","","","0.71073","MoKα","","0.2283","0.067","","","0.1443","0.2134","","","","","","0.985","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008646","11.186","0.003","12.622","0.003","13.089","0.004","64.82","0.02","67.27","0.03","80.85","0.02","1542.5","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H24 Co F6 N6 O2 P -","- C32 H24 Co F6 N6 O2 P -","- C64 H48 Co2 F12 N12 O4 P2 -","2","1","","Braga, Dario; Polito, Marco; Giaffreda, Stefano L.; Grepioni, Fabrizia","Novel organometallic building blocks for molecular crystal engineering. Part 4. Synthesis and characterization of mono- and bis-amido derivatives of [Co(III)(eta5-C5H4COOH)2]+ and their utilization as ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2766","2773","10.1039/b505521k","","","0.71073","MoKα","","0.1955","0.0676","","","0.165","0.222","","","","","","0.983","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008647","10.034","0.002","24.647","0.005","9.579","0.004","90","","108.7","0.03","90","","2243.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Co F6 N3 O3 P -","- C22 H17 Co F6 N3 O3 P -","- C88 H68 Co4 F24 N12 O12 P4 -","4","1","","Braga, Dario; Polito, Marco; Giaffreda, Stefano L.; Grepioni, Fabrizia","Novel organometallic building blocks for molecular crystal engineering. Part 4. Synthesis and characterization of mono- and bis-amido derivatives of [Co(III)(eta5-C5H4COOH)2]+ and their utilization as ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2766","2773","10.1039/b505521k","","","0.71073","MoKα","","0.0539","0.0367","","","0.0985","0.1159","","","","","","0.725","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008648","7.7355","0.0002","13.1359","0.0004","13.535","0.0004","105.762","0.001","90.145","0.001","101.518","0.001","1294.61","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H20 Co F6 N6 O4 P -","- C24 H20 Co F6 N6 O4 P -","- C48 H40 Co2 F12 N12 O8 P2 -","2","1","","Braga, Dario; Polito, Marco; Giaffreda, Stefano L.; Grepioni, Fabrizia","Novel organometallic building blocks for molecular crystal engineering. Part 4. Synthesis and characterization of mono- and bis-amido derivatives of [Co(III)(eta5-C5H4COOH)2]+ and their utilization as ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2766","2773","10.1039/b505521k","","","0.71073","MoKα","","0.0606","0.0498","","","0.1357","0.1454","","","","","","0.985","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008649","8.715","0.003","12.051","0.006","15.228","0.006","81.61","0.04","73.61","0.03","88.83","0.04","1517.5","1.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","(Cd(NO3)2(Co(C5H4-CONHC2N3(C5H4N)(C5H4NH)(C5H4- COOH))2)6+_2(PF6)-_2(CO3)2_.2H2O","[Cd(NO3)2{Co(C5H4-CONHC2N3(C5H4N)(C5H4NH)(C5H4-COOH)}2]6+_2[PF6]-_2[CO3]2_.2H2O","","- C50 H42 Cd Co2 F12 N14 O20 P2 -","- C50 H38 Cd Co2 F12 N14 O20 P2 -","- C50 H38 Cd Co2 F12 N14 O20 P2 -","1","0.5","","Braga, Dario; Polito, Marco; Giaffreda, Stefano L.; Grepioni, Fabrizia","Novel organometallic building blocks for molecular crystal engineering. Part 4. Synthesis and characterization of mono- and bis-amido derivatives of [Co(III)(eta5-C5H4COOH)2]+ and their utilization as ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2766","2773","10.1039/b505521k","","","0.71073","MoKα","","0.1222","0.047","","","0.1105","0.1386","","","","","","1.01","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008650","8.2145","0.0002","10.0998","0.0003","25.618","0.0007","90","","98.322","0.001","90","","2103.01","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Co F6 N6 O2 P -","- C20 H16 Co F6 N6 O2 P -","- C80 H64 Co4 F24 N24 O8 P4 -","4","1","","Braga, Dario; Polito, Marco; Giaffreda, Stefano L.; Grepioni, Fabrizia","Novel organometallic building blocks for molecular crystal engineering. Part 4. Synthesis and characterization of mono- and bis-amido derivatives of [Co(III)(eta5-C5H4COOH)2]+ and their utilization as ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2766","2773","10.1039/b505521k","","","0.71073","MoKα","","0.1288","0.065","","","0.1548","0.194","","","","","","0.996","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008651","13.4963","0.001","13.7184","0.001","24.743","0.0018","90.819","0.001","104.54","0.001","117.298","0.001","3895.7","0.5","158","2","158","2","","","","","","","","9","P -1","-P 1","2","","","","- C82.5 H69 Cl Cu F12 N2 P6 Pt2 S2 -","- C82 H68 Cl Cu F12 N2 P6 Pt2 S2 -","- C164 H136 Cl2 Cu2 F24 N4 P12 Pt4 S4 -","2","1","","Devoy, Sarah M.; Henderson, William; Nicholson, Brian K.; Fawcett, John; Hor, T. S. Andy","Syntheses and ligand interconversions of copper(II) derivatives of the metalloligand [Pt2(mu-S)2(PPh3)4].","Dalton transactions (Cambridge, England : 2003)","2005","","16","2780","2787","10.1039/b505648a","","","0.71073","MoKα","","0.0243","0.021","","","0.0496","0.0514","","","","","","1.116","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008652","19.29","0.006","16.474","0.005","24.193","0.007","90","","101.785","0.005","90","","7526","4","290","2","290","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C78 H69 Cl2 Cu F6 O2 P5 Pt2 S2 -","- C78 H69 Cl2 Cu F6 O2 P5 Pt2 S2 -","- C312 H276 Cl8 Cu4 F24 O8 P20 Pt8 S8 -","4","0.5","","Devoy, Sarah M.; Henderson, William; Nicholson, Brian K.; Fawcett, John; Hor, T. S. Andy","Syntheses and ligand interconversions of copper(II) derivatives of the metalloligand [Pt2(mu-S)2(PPh3)4].","Dalton transactions (Cambridge, England : 2003)","2005","","16","2780","2787","10.1039/b505648a","","","0.71073","MoKα","","0.0576","0.0397","","","0.0821","0.088","","","","","","0.935","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008653","22.6729","0.0012","14.5027","0.0008","24.5012","0.0013","90","","90.054","0.001","90","","8056.4","0.7","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C80.5 H65 Cl Cu F9 O2 P5 Pt2 S3 -","- C80.5 H65 Cl Cu F9 O2 P5 Pt2 S3 -","- C322 H260 Cl4 Cu4 F36 O8 P20 Pt8 S12 -","4","1","","Devoy, Sarah M.; Henderson, William; Nicholson, Brian K.; Fawcett, John; Hor, T. S. Andy","Syntheses and ligand interconversions of copper(II) derivatives of the metalloligand [Pt2(mu-S)2(PPh3)4].","Dalton transactions (Cambridge, England : 2003)","2005","","16","2780","2787","10.1039/b505648a","","","0.71073","MoKα","","0.0564","0.0434","","","0.1101","0.1147","","","","","","1.121","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008654","13.9137","0.0007","16.3936","0.0009","24.5367","0.0013","90","","90","","90","","5596.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N6 Ni -","- C22 H18 N6 Ni -","- C264 H216 N72 Ni12 -","12","3","","Wang, Lei; Zhu, Xun-Jin; Wong, Wai-Yeung; Guo, Jian-Ping; Wong, Wai-Kwok; Li, Zao-Ying","Dipyrrolylquinoxaline-bridged Schiff bases: a new class of fluorescent sensors for mercury(II).","Dalton transactions (Cambridge, England : 2003)","2005","","19","3235","3240","10.1039/b505676d","","","0.71073","MoKα","","0.0684","0.0369","","","0.0742","0.0856","","","","","","1.047","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008655","16.309","0.0018","26.44","0.003","9.144","0.001","90","","104.061","0.002","90","","3824.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 Cl2 N12 Ni2 -","- C43 H34 Cl2 N12 Ni2 -","- C172 H136 Cl8 N48 Ni8 -","4","1","","Wang, Lei; Zhu, Xun-Jin; Wong, Wai-Yeung; Guo, Jian-Ping; Wong, Wai-Kwok; Li, Zao-Ying","Dipyrrolylquinoxaline-bridged Schiff bases: a new class of fluorescent sensors for mercury(II).","Dalton transactions (Cambridge, England : 2003)","2005","","19","3235","3240","10.1039/b505676d","","","0.71073","MoKα","","0.0961","0.059","","","0.1504","0.1733","","","","","","1.054","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008656","25.4999","0.0012","4.9181","0.0002","28.3899","0.0013","90","","90","","90","","3560.4","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H20 N6 -","- C22 H20 N6 -","- C176 H160 N48 -","8","2","","Wang, Lei; Zhu, Xun-Jin; Wong, Wai-Yeung; Guo, Jian-Ping; Wong, Wai-Kwok; Li, Zao-Ying","Dipyrrolylquinoxaline-bridged Schiff bases: a new class of fluorescent sensors for mercury(II).","Dalton transactions (Cambridge, England : 2003)","2005","","19","3235","3240","10.1039/b505676d","","","0.71073","MoKα","","0.0503","0.0437","","","0.1163","0.1227","","","","","","1.052","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008657","9.2969","0.0008","11.0235","0.001","16.9434","0.0015","90","","90.496","0.002","90","","1736.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N6 -","- C21 H18 N6 -","- C84 H72 N24 -","4","1","","Wang, Lei; Zhu, Xun-Jin; Wong, Wai-Yeung; Guo, Jian-Ping; Wong, Wai-Kwok; Li, Zao-Ying","Dipyrrolylquinoxaline-bridged Schiff bases: a new class of fluorescent sensors for mercury(II).","Dalton transactions (Cambridge, England : 2003)","2005","","19","3235","3240","10.1039/b505676d","","","0.71073","MoKα","","0.0937","0.0479","","","0.1167","0.1418","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008658","5.6366","0.0011","10.146","0.002","12.707","0.003","87.48","0.03","82.31","0.03","79.72","0.03","708.5","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H15 Cl3 N3 P3 -","- C6 H15 Cl3 N3 P3 -","- C12 H30 Cl6 N6 P6 -","2","1","","García, Felipe; Kowenicki, Richard A.; Riera, Lucía; Wright, Dominic S.","Triphosph(III)azanes to diphosph(III)azanes; a cracking transformation.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2495","2496","10.1039/b505720e","","","0.71073","MoKα","","0.0613","0.0475","","","0.1157","0.1255","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008659","8.9851","0.0002","15.753","0.0002","13.7745","0.0003","90","","94.428","0.0006","90","","1943.85","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cd3 N10 O4 -","- C34 H34 Cd3 N10 O4 -","- C68 H68 Cd6 N20 O8 -","2","0.5","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi","Crystal structures and spectroscopic properties of polycyano-polycadmate host clathrates including a CT complex guest of methylviologen dication and aromatic donor.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3056","3064","10.1039/b505722a","","","0.71073","MoKα","","0.0309","0.0227","","","0.0584","0.06","","","","","","1.03","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008660","15.1715","0.0005","16.6564","0.0004","29.3251","0.0006","90","","90","","90","","7410.5","0.3","293","2","293","2","","","","","","","","5","P n a n","-P 2n 2bc","52","","","","- C30.5 H30 Cd3 N10 O3.5 -","- C30.5 H26 Cd3 N10 O2.5 -","- C244 H208 Cd24 N80 O20 -","8","1","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi","Crystal structures and spectroscopic properties of polycyano-polycadmate host clathrates including a CT complex guest of methylviologen dication and aromatic donor.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3056","3064","10.1039/b505722a","","","0.71069","MoKα","","0.1025","0.0368","","","0.0969","0.116","","","","","","0.786","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008661","14.7068","0.0003","8.7083","0.0001","29.9347","0.0005","90","","90","","90","","3833.77","0.11","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H30 Cd3 Cl N9 O2 -","- C33 H30 Cd3 Cl N9 O2 -","- C132 H120 Cd12 Cl4 N36 O8 -","4","1","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi","Crystal structures and spectroscopic properties of polycyano-polycadmate host clathrates including a CT complex guest of methylviologen dication and aromatic donor.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3056","3064","10.1039/b505722a","","","0.71069","MoKα","","0.0484","0.0272","","","0.0715","0.0755","","","","","","0.913","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008662","15.5633","0.0002","8.7799","0.0001","24.8873","0.0003","90","","90","","90","","3400.71","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29.384 H24 Cd3 Cl1.616 N8.384 -","- C29.384 H23 Cd3 Cl1.616 N8.384 -","- C117.536 H92 Cd12 Cl6.464 N33.536 -","4","0.5","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi","Crystal structures and spectroscopic properties of polycyano-polycadmate host clathrates including a CT complex guest of methylviologen dication and aromatic donor.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3056","3064","10.1039/b505722a","","","0.71069","MoKα","","0.0907","0.0332","","","0.1089","0.1184","","","","","","0.712","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008663","19.1014","0.0006","8.8622","0.0002","14.8612","0.0005","84.8205","0.0011","86.4434","0.0007","84.5316","0.0006","2490.41","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.28 H33 Cd5 Cl1.72 N14.28 O3 -","- C38.285 H33 Cd5 Cl1.715 N14.285 O3 -","- C76.57 H66 Cd10 Cl3.43 N28.57 O6 -","2","1","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi","Crystal structures and spectroscopic properties of polycyano-polycadmate host clathrates including a CT complex guest of methylviologen dication and aromatic donor.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3056","3064","10.1039/b505722a","","","0.71069","MoKα","","0.094","0.0507","","","0.1207","0.1466","","","","","","1.013","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008664","8.1525","0.0002","22.1878","0.0005","18.3312","0.0005","90","","98.9563","0.0011","90","","3275.43","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cd3.5 N12 O -","- C25 H21 Cd3.5 N12 O -","- C100 H84 Cd14 N48 O4 -","4","1","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi","Crystal structures and spectroscopic properties of polycyano-polycadmate host clathrates including a CT complex guest of methylviologen dication and aromatic donor.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3056","3064","10.1039/b505722a","","","0.71069","MoKα","","0.0574","0.0266","","","0.0517","0.074","","","","","","0.874","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008665","8.8965","0.001","11.7193","0.0014","52.414","0.006","90","","97.734","0.005","90","","5415","1.1","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H35 Cd6 N19 -","- C44 H35 Cd6 N19 -","- C176 H140 Cd24 N76 -","4","1","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi","Crystal structures and spectroscopic properties of polycyano-polycadmate host clathrates including a CT complex guest of methylviologen dication and aromatic donor.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3056","3064","10.1039/b505722a","","","0.71069","MoKα","","0.0942","0.0918","","","0.1927","0.1939","","","","","","1.259","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008666","7.2385","0.0002","7.3552","0.0001","9.4709","0.0002","102.775","0.001","96.106","0.001","109.218","0.001","455.479","0.018","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 Cl4 O6 V2 -","- C10 H22 Cl4 O6 V2 -","- C10 H22 Cl4 O6 V2 -","1","0.5","","Rosenthal, Esther C. E.; Cui, Huiling; Koch, Juliane; Escarpa Gaede, Petra; Hummert, Markus; Dechert, Sebastian","Chloride-bridged oxovanadium(V) complexes with alkoxyalkoxide ligands. Synthesis, structure, electrochemistry and reactivities.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3108","3117","10.1039/b505750g","","","0.71073","MoKα","","0.0445","0.0378","","","0.0944","0.0985","","","","","","1.013","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008667","7.0646","0.0003","7.3724","0.0002","10.2981","0.0004","70.631","0.001","73.651","0.001","72.745","0.001","473.14","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 Cl4 O6 V2 -","- C10 H22 Cl4 O6 V2 -","- C10 H22 Cl4 O6 V2 -","1","0.5","","Rosenthal, Esther C. E.; Cui, Huiling; Koch, Juliane; Escarpa Gaede, Petra; Hummert, Markus; Dechert, Sebastian","Chloride-bridged oxovanadium(V) complexes with alkoxyalkoxide ligands. Synthesis, structure, electrochemistry and reactivities.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3108","3117","10.1039/b505750g","","","0.71073","MoKα","","0.0832","0.063","","","0.1535","0.1638","","","","","","1.007","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008668","19.8493","0.0003","7.3878","0.0001","13.3868","0.0001","90","","118.163","0.001","90","","1730.66","0.04","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Cl4 O6 V2 -","- C10 H18 Cl4 O6 V2 -","- C40 H72 Cl16 O24 V8 -","4","0.5","","Rosenthal, Esther C. E.; Cui, Huiling; Koch, Juliane; Escarpa Gaede, Petra; Hummert, Markus; Dechert, Sebastian","Chloride-bridged oxovanadium(V) complexes with alkoxyalkoxide ligands. Synthesis, structure, electrochemistry and reactivities.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3108","3117","10.1039/b505750g","","","0.71073","MoKα","","0.0704","0.0547","","","0.1247","0.132","","","","","","1.049","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008669","11.161","0.0002","7.655","0.0001","13.7459","0.0002","90","","101.533","0.002","90","","1150.7","0.03","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl2 O4 V -","- C7 H15 Cl2 O4 V -","- C28 H60 Cl8 O16 V4 -","4","1","","Rosenthal, Esther C. E.; Cui, Huiling; Koch, Juliane; Escarpa Gaede, Petra; Hummert, Markus; Dechert, Sebastian","Chloride-bridged oxovanadium(V) complexes with alkoxyalkoxide ligands. Synthesis, structure, electrochemistry and reactivities.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3108","3117","10.1039/b505750g","","","0.71073","MoKα","","0.0702","0.0568","","","0.1196","0.1253","","","","","","1.049","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008670","15.0823","0.0007","7.4876","0.0003","11.1036","0.0004","90","","90","","90","","1253.93","0.09","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H17 Cl O4 V -","- C8 H17 Cl2 O4 V -","- C32 H68 Cl8 O16 V4 -","4","1","","Rosenthal, Esther C. E.; Cui, Huiling; Koch, Juliane; Escarpa Gaede, Petra; Hummert, Markus; Dechert, Sebastian","Chloride-bridged oxovanadium(V) complexes with alkoxyalkoxide ligands. Synthesis, structure, electrochemistry and reactivities.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3108","3117","10.1039/b505750g","","","0.71073","MoKα","","0.0809","0.0555","","","0.1142","0.1269","","","","","","0.99","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008671","19.711","0.005","9.88","0.005","7.039","0.005","90","0.005","90","0.005","90","0.005","1370.8","1.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H19 Cl O4 V -","- C9 H19 Cl2 O4 V -","- C36 H76 Cl8 O16 V4 -","4","1","","Rosenthal, Esther C. E.; Cui, Huiling; Koch, Juliane; Escarpa Gaede, Petra; Hummert, Markus; Dechert, Sebastian","Chloride-bridged oxovanadium(V) complexes with alkoxyalkoxide ligands. Synthesis, structure, electrochemistry and reactivities.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3108","3117","10.1039/b505750g","","","0.71069","MoKα","","0.0458","0.0361","","","0.0767","0.0806","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008672","7.7037","0.0004","17.0284","0.0009","10.6692","0.0005","90","","106.583","0.002","90","","1341.39","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H19 Cl2 O4 V -","- C9 H19 Cl2 O4 V -","- C36 H76 Cl8 O16 V4 -","4","1","","Rosenthal, Esther C. E.; Cui, Huiling; Koch, Juliane; Escarpa Gaede, Petra; Hummert, Markus; Dechert, Sebastian","Chloride-bridged oxovanadium(V) complexes with alkoxyalkoxide ligands. Synthesis, structure, electrochemistry and reactivities.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3108","3117","10.1039/b505750g","","","0.71073","MoKα","","0.0859","0.0505","","","0.1083","0.1242","","","","","","0.98","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008673","10.5189","0.0001","10.5189","0.0001","10.0831","0.0002","90","","90","","120","","966.2","0.02","173","2","173","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C12 H33 O Si3 V -","- C12 H33 O0.485 Si3 V0.97 -","- C24 H66 O0.97 Si6 V1.94 -","2","0.166667","","Rosenthal, Esther C. E.; Cui, Huiling; Koch, Juliane; Escarpa Gaede, Petra; Hummert, Markus; Dechert, Sebastian","Chloride-bridged oxovanadium(V) complexes with alkoxyalkoxide ligands. Synthesis, structure, electrochemistry and reactivities.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3108","3117","10.1039/b505750g","","","0.71073","MoKα","","0.0732","0.0724","","","0.1751","0.1753","","","","","","1.377","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008674","19.337","0.003","14.843","0.002","17.351","0.003","90","","99.618","0.003","90","","4910.1","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl2 Mn N5 -","- C24 H29 Cl2 Mn N5 -","- C192 H232 Cl16 Mn8 N40 -","8","2","","Davies, Christopher J.; Fawcett, John; Shutt, Richard; Solan, Gregory A.","Substituted N-picolylethylenediamines of the type (ArNHCH2CH2){(2-C5H4N)CH2}NR [R = Me, 4-CH2=CH(C6H4)CH2, (2-C5H4N)CH2] and their transition metal(II) halide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2630","2640","10.1039/b505763a","","","0.71073","MoKα","","0.1256","0.102","","","0.2577","0.2695","","","","","","1.099","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008675","15.41","0.003","7.4772","0.0014","16.863","0.003","90","","94.761","0.003","90","","1936.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cl2 Co N3 -","- C18 H25 Cl2 Co N3 -","- C72 H100 Cl8 Co4 N12 -","4","1","","Davies, Christopher J.; Fawcett, John; Shutt, Richard; Solan, Gregory A.","Substituted N-picolylethylenediamines of the type (ArNHCH2CH2){(2-C5H4N)CH2}NR [R = Me, 4-CH2=CH(C6H4)CH2, (2-C5H4N)CH2] and their transition metal(II) halide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2630","2640","10.1039/b505763a","","","0.71073","MoKα","","0.1024","0.0689","","","0.1574","0.1751","","","","","","1.039","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008676","12.08","0.002","14.978","0.003","13.642","0.003","90","","116.103","0.003","90","","2216.5","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cl4 Mn2 N8 -","- C44 H52 Cl4 Mn2 N8 -","- C88 H104 Cl8 Mn4 N16 -","2","0.5","","Davies, Christopher J.; Fawcett, John; Shutt, Richard; Solan, Gregory A.","Substituted N-picolylethylenediamines of the type (ArNHCH2CH2){(2-C5H4N)CH2}NR [R = Me, 4-CH2=CH(C6H4)CH2, (2-C5H4N)CH2] and their transition metal(II) halide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2630","2640","10.1039/b505763a","","","0.71073","MoKα","","0.0389","0.0306","","","0.0693","0.0719","","","","","","1.012","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008677","19.206","0.004","14.8","0.003","17.27","0.004","90","","99.752","0.004","90","","4838","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl2 Fe N5 -","- C24 H29 Cl2 Fe N5 -","- C192 H232 Cl16 Fe8 N40 -","8","2","","Davies, Christopher J.; Fawcett, John; Shutt, Richard; Solan, Gregory A.","Substituted N-picolylethylenediamines of the type (ArNHCH2CH2){(2-C5H4N)CH2}NR [R = Me, 4-CH2=CH(C6H4)CH2, (2-C5H4N)CH2] and their transition metal(II) halide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2630","2640","10.1039/b505763a","","","0.71073","MoKα","","0.167","0.0787","","","0.1608","0.197","","","","","","0.882","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008678","7.5084","0.0013","12.873","0.002","12.978","0.002","82.257","0.003","86.705","0.003","83.201","0.003","1233.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cl2 Fe N5 -","- C24 H29 Cl2 Fe N5 -","- C48 H58 Cl4 Fe2 N10 -","2","1","","Davies, Christopher J.; Fawcett, John; Shutt, Richard; Solan, Gregory A.","Substituted N-picolylethylenediamines of the type (ArNHCH2CH2){(2-C5H4N)CH2}NR [R = Me, 4-CH2=CH(C6H4)CH2, (2-C5H4N)CH2] and their transition metal(II) halide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2630","2640","10.1039/b505763a","","","0.71073","MoKα","","0.0407","0.0349","","","0.0849","0.0883","","","","","","1.031","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008679","9.366","0.001","13.012","0.002","13.069","0.001","106.045","0.009","105.9","0.01","93.07","0.01","1457.6","0.3","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C21 H38 Cl2 Co N7 O11 -","- C21 H38 Cl2 Co N7 O11 -","- C42 H76 Cl4 Co2 N14 O22 -","2","1","","Bernhardt, Paul V.; Kilah, Nathan L.; Meacham, Andrew P.; Meredith, Paul; Vogel, Robert","Immobilisation of electroactive macrocyclic complexes within titania films.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2508","2515","10.1039/b505917h","","x-ray","0.71073","MoKα","","0.0658","0.0437","","","0.1134","0.1258","","","","","","1.02","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008680","9.235","0.003","24.023","0.003","13.845","0.002","90","","109.01","0.02","90","","2904","1.1","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Cl Co N6 O12 -","- C20 H46 Cl Co N6 O12 -","- C80 H184 Cl4 Co4 N24 O48 -","4","1","","Bernhardt, Paul V.; Kilah, Nathan L.; Meacham, Andrew P.; Meredith, Paul; Vogel, Robert","Immobilisation of electroactive macrocyclic complexes within titania films.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2508","2515","10.1039/b505917h","","x-ray","0.71073","MoKα","","0.1032","0.0684","","","0.2061","0.2381","","","","","","1.055","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008681","10.465","0.0001","11.0662","0.0002","11.2949","0.0002","91.5998","0.0008","98.6155","0.0008","97.9804","0.0006","1279.17","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[N,N'-bis(2-hydroxy-5-tert-butylbenzylidene)-trans- 1,2-dicyclohexylamino]copper(II) hydrate","","- C28 H38 Cu N2 O3 -","- C28 H38 Cu N2 O3 -","- C56 H76 Cu2 N4 O6 -","2","1","","Sylvestre, Isabelle; Wolowska, Joanna; Kilner, Colin A.; McInnes, Eric J. L.; Halcrow, Malcolm A.","Copper(II) complexes of thioether-substituted salcyen and salcyan derivatives and their silver(I) adducts.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3241","3249","10.1039/b505972k","","","0.71073","MoKα","","0.0604","0.0549","","","0.1418","0.1472","","","","","","1.049","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008682","8.2379","0.0002","12.0392","0.0002","14.8235","0.0003","99.3685","0.0009","95.775","0.0007","99.3788","0.001","1418.9","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[N,N'-bis(2-hydroxy-5-tert-butylbenzylidene)-trans- 1,2-dicyclohexylamino]copper(II) dichloromethane solvate","","- C29 H38 Cl2 Cu N2 O2 -","- C29 H38 Cl2 Cu N2 O2 -","- C58 H76 Cl4 Cu2 N4 O4 -","2","1","","Sylvestre, Isabelle; Wolowska, Joanna; Kilner, Colin A.; McInnes, Eric J. L.; Halcrow, Malcolm A.","Copper(II) complexes of thioether-substituted salcyen and salcyan derivatives and their silver(I) adducts.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3241","3249","10.1039/b505972k","","","0.71073","MoKα","","0.0579","0.0422","","","0.1065","0.1152","","","","","","1.037","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008683","8.4806","0.0001","14.8652","0.0002","17.4574","0.0003","89.8338","0.0006","84.3792","0.0006","79.3241","0.0008","2152.03","0.05","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","[N,N'-bis(2-hydroxy-3-phenylsunlfanyl-5-tert-butylbenzylidene)-trans- 1,2-dicyclohexylamino]copper(II)silver(I) tetrafluoroborate acetonitrile solvate","","- C42.9 H48.35 Ag B Cu F4 N3.45 O2 S2 -","- C42.9 H48.35 Ag B Cu F4 N3.45 O2 S2 -","- C85.8 H96.7 Ag2 B2 Cu2 F8 N6.9 O4 S4 -","2","1","","Sylvestre, Isabelle; Wolowska, Joanna; Kilner, Colin A.; McInnes, Eric J. L.; Halcrow, Malcolm A.","Copper(II) complexes of thioether-substituted salcyen and salcyan derivatives and their silver(I) adducts.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3241","3249","10.1039/b505972k","","","0.71073","MoKα","","0.0651","0.0523","","","0.145","0.1549","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008684","8.609","0.002","14.534","0.006","19.817","0.009","95.63","0.03","90.51","0.03","90.93","0.04","2467.1","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H34 I N P2 Pt -","- C21 H34 I N P2 Pt -","- C84 H136 I4 N4 P8 Pt4 -","4","2","","Adams, Christopher J.; Bowen, Lucy E.","I...pi halogen-bonding in the structures of platinum-alkynyl compounds: an overlooked supramolecular interaction.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2239","2240","10.1039/b506025g","","","0.71073","MoKα","","0.0382","0.0363","","","0.0945","0.0972","","","","","","1.238","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008685","9.897","0.002","28.205","0.006","10.995","0.002","90","","91.19","0.03","90","","3068.5","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 I1.14 N0.86 O1.72 P2 Pt -","- C28 H38 I1.138 N0.862 O1.724 P2 Pt -","- C112 H152 I4.552 N3.448 O6.896 P8 Pt4 -","4","1","","Adams, Christopher J.; Bowen, Lucy E.","I...pi halogen-bonding in the structures of platinum-alkynyl compounds: an overlooked supramolecular interaction.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2239","2240","10.1039/b506025g","","","0.71073","MoKα","","0.0425","0.0385","","","0.0891","0.0912","","","","","","1.166","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008686","9.4839","0.001","15.066","0.0014","11.1185","0.0017","90","","97.685","0.009","90","","1574.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 I2 P2 Pt -","- C28 H38 I2 P2 Pt -","- C56 H76 I4 P4 Pt2 -","2","0.5","","Adams, Christopher J.; Bowen, Lucy E.","I...pi halogen-bonding in the structures of platinum-alkynyl compounds: an overlooked supramolecular interaction.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2239","2240","10.1039/b506025g","","","0.71073","MoKα","","0.0176","0.0163","","","0.0397","0.0402","","","","","","1.063","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008687","11.1232","0.0006","11.1843","0.0006","13.7964","0.0008","95.443","0.001","112.811","0.001","106.636","0.001","1474.14","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H72 Ag2 B2 Cl4 N12 S6 -","- C44 H68 Ag2 B2 Cl4 N12 S6 -","- C44 H68 Ag2 B2 Cl4 N12 S6 -","1","0.5","","Patel, Denish V.; Mihalcik, David J.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Kassel, W. Scott; Rheingold, Arnold L.; Rabinovich, Daniel","Tris(mercaptoimidazolyl)borate complexes of the coinage metals: syntheses and molecular structures of the first gold compounds and related copper and silver derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2410","2416","10.1039/b506046j","","","0.71073","MoKα","","0.0383","0.0331","","","0.0785","0.0808","","","","","","1.095","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008688","16.2864","0.0007","16.2864","0.0007","12.9249","0.0011","90","","90","","120","","2969","0.3","213","2","213","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C39 H49 B Cu N6 P S3 -","- C39 H49 B Cu N6 P S3 -","- C117 H147 B3 Cu3 N18 P3 S9 -","3","0.333333","","Patel, Denish V.; Mihalcik, David J.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Kassel, W. Scott; Rheingold, Arnold L.; Rabinovich, Daniel","Tris(mercaptoimidazolyl)borate complexes of the coinage metals: syntheses and molecular structures of the first gold compounds and related copper and silver derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2410","2416","10.1039/b506046j","","","0.71073","MoKα","","0.044","0.0427","","","0.0992","0.1","","","","","","1.036","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008689","13.7388","0.0006","13.7388","0.0006","12.8691","0.0011","90","","90","","120","","2103.7","0.2","213","2","213","2","","","","","","","","8","P -3","-P 3","147","","","","- C39 H51 Ag B N6 O P S3 -","- C39 H49 Ag B N6 O P S3 -","- C78 H98 Ag2 B2 N12 O2 P2 S6 -","2","0.333333","","Patel, Denish V.; Mihalcik, David J.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Kassel, W. Scott; Rheingold, Arnold L.; Rabinovich, Daniel","Tris(mercaptoimidazolyl)borate complexes of the coinage metals: syntheses and molecular structures of the first gold compounds and related copper and silver derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2410","2416","10.1039/b506046j","","","0.71073","MoKα","","0.0535","0.0489","","","0.1373","0.1403","","","","","","1.141","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008690","20.4526","0.0017","20.5057","0.0018","21.961","0.0019","74.297","0.001","81.811","0.001","82.151","0.001","8729.6","1.3","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.75 H51 Au B N6 P S3 -","- C40.75 H51 Au B N6 P S3 -","- C326 H408 Au8 B8 N48 P8 S24 -","8","4","","Patel, Denish V.; Mihalcik, David J.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Kassel, W. Scott; Rheingold, Arnold L.; Rabinovich, Daniel","Tris(mercaptoimidazolyl)borate complexes of the coinage metals: syntheses and molecular structures of the first gold compounds and related copper and silver derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2410","2416","10.1039/b506046j","","","0.71073","MoKα","","0.0668","0.0438","","","0.1043","0.1162","","","","","","1.022","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008691","32.118","0.009","18.662","0.005","25.695","0.007","90","","114.016","0.003","90","","14068","7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H89 Au2 B2 N12 S6 -","- C63 H89 Au2 B2 N12 S6 -","- C504 H712 Au16 B16 N96 S48 -","8","1","","Patel, Denish V.; Mihalcik, David J.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Kassel, W. Scott; Rheingold, Arnold L.; Rabinovich, Daniel","Tris(mercaptoimidazolyl)borate complexes of the coinage metals: syntheses and molecular structures of the first gold compounds and related copper and silver derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2410","2416","10.1039/b506046j","","","0.71073","MoKα","","0.0712","0.0445","","","0.0786","0.0891","","","","","","1.013","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008692","9.0103","0.0004","12.6609","0.0006","21.3721","0.001","87.314","0.001","84.393","0.001","69.873","0.001","2278.03","0.18","83","2","83","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Ba2 Cl4 N12 O17 -","- C32 H38 Ba2 Cl4 N12 O17 -","- C64 H76 Ba4 Cl8 N24 O34 -","2","1","","Weitzer, Markus; Brooker, Sally","Dimetallic complexes of a structurally versatile pyridazine-containing Schiff-base macrocyclic ligand with pendant pyridine arms.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2448","2454","10.1039/b506051f","","","0.71073","MoKα","","0.0292","0.0229","","","0.0519","0.0544","","","","","","1.031","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008693","11.3739","0.0001","14.339","0.0003","16.5674","0.0002","99.648","0.001","101.602","0.001","112.359","0.001","2357.26","0.07","83","2","83","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Cl4 Cu2 N14 O16 -","- C36 H42 Cl4 Cu2 N14 O16 -","- C72 H84 Cl8 Cu4 N28 O32 -","2","1","","Weitzer, Markus; Brooker, Sally","Dimetallic complexes of a structurally versatile pyridazine-containing Schiff-base macrocyclic ligand with pendant pyridine arms.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2448","2454","10.1039/b506051f","","","0.71073","MoKα","","0.0696","0.0485","","","0.1086","0.1197","","","","","","1.046","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008694","14.496","","17.8357","0.0003","21.1804","0.0004","90","","105.417","0.001","90","","5279.06","0.14","84","2","84","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H51 Cl4 Fe2 N17 O16 -","- C36 H42 Cl2 Fe2 N14 O8 -","- C144 H168 Cl8 Fe8 N56 O32 -","4","1","","Weitzer, Markus; Brooker, Sally","Dimetallic complexes of a structurally versatile pyridazine-containing Schiff-base macrocyclic ligand with pendant pyridine arms.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2448","2454","10.1039/b506051f","","","0.71073","MoKα","","0.1164","0.0865","","","0.1842","0.1963","","","","","","1.041","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008695","17.9488","0.0002","13.7829","0.0002","22.1623","0.0003","90","","104.954","0.001","90","","5296.97","0.12","84","2","84","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H50.5 Cl4 Mn2 N14.5 O17.5 -","- C39 H50.5 Cl4 Mn2 N14.5 O17.5 -","- C156 H202 Cl16 Mn8 N58 O70 -","4","1","","Weitzer, Markus; Brooker, Sally","Dimetallic complexes of a structurally versatile pyridazine-containing Schiff-base macrocyclic ligand with pendant pyridine arms.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2448","2454","10.1039/b506051f","","","0.71073","MoKα","","0.1307","0.0715","","","0.1569","0.1855","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008696","14.0752","0.0003","18.062","0.0003","20.9482","0.0004","90","","98.438","0.001","90","","5267.93","0.17","84","2","84","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Cl4 Mn2 N16 O17 -","- C40 H50 Cl4 Mn2 N16 O17 -","- C160 H200 Cl16 Mn8 N64 O68 -","4","1","","Weitzer, Markus; Brooker, Sally","Dimetallic complexes of a structurally versatile pyridazine-containing Schiff-base macrocyclic ligand with pendant pyridine arms.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2448","2454","10.1039/b506051f","","","0.71073","MoKα","","0.0917","0.0621","","","0.1271","0.1416","","","","","","1.091","","","","has coordinates,has disorder","179790","2020-10-21","18:00:00",""
"7008697","9.068","0.001","10.0972","0.0007","11.086","0.002","90.605","0.008","106.216","0.009","112.989","0.008","889","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H10 Cl2 F5 N O Ti -","- C18 H10 Cl2 F5 N O Ti -","- C36 H20 Cl4 F10 N2 O2 Ti2 -","2","1","","Mazzeo, Mina; Lamberti, Marina; Tuzi, Angela; Centore, Roberto; Pellecchia, Claudio","New anilinotropone-based titanium complexes: synthesis, characterization and application as catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3025","3031","10.1039/b506079f","","","0.71069","MoKα","","0.1013","0.0441","","","0.0762","0.0883","","","","","","1.023","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008698","10.99","0.002","11.647","0.002","13.425","0.005","94.23","0.02","113.8","0.02","113.96","0.02","1377.5","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H17 Cl5 F5 N O2 Ti2 -","- C24 H17 Cl5 F5 N O2 Ti2 -","- C48 H34 Cl10 F10 N2 O4 Ti4 -","2","1","","Mazzeo, Mina; Lamberti, Marina; Tuzi, Angela; Centore, Roberto; Pellecchia, Claudio","New anilinotropone-based titanium complexes: synthesis, characterization and application as catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3025","3031","10.1039/b506079f","","x-ray","0.71069","MoKα","","0.0725","0.0396","","","0.0945","0.1069","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008699","12.31","0.01","16.8","0.05","17.04","0.01","90","","90.39","0.05","90","","3524","11","293","2","293","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cl2 N2 O2 Ti -","- C38 H44 Cl2 N2 O2 Ti -","- C152 H176 Cl8 N8 O8 Ti4 -","4","1","","Mazzeo, Mina; Lamberti, Marina; Tuzi, Angela; Centore, Roberto; Pellecchia, Claudio","New anilinotropone-based titanium complexes: synthesis, characterization and application as catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3025","3031","10.1039/b506079f","","x-ray","0.71069","Mokα","","0.0901","0.047","","","0.1144","0.1306","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008700","10.2581","0.0014","11.123","0.002","14.331","0.003","100.44","0.03","90.921","0.019","112.63","0.03","1477.7","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H12 Cl4 F10 N2 O2 Ti -","- C27 H12 Cl3.9999 F10 N2 O2 Ti -","- C54 H24 Cl7.9998 F20 N4 O4 Ti2 -","2","1","","Mazzeo, Mina; Lamberti, Marina; Tuzi, Angela; Centore, Roberto; Pellecchia, Claudio","New anilinotropone-based titanium complexes: synthesis, characterization and application as catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3025","3031","10.1039/b506079f","","","0.71069","MoKα","","0.1441","0.0527","","","0.1025","0.1394","","","","","","0.994","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008701","28.631","0.006","16.612","0.003","17.346","0.004","90","","90","","90","","8250","3","180","2","180","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C33 H33 F12 Gd N2 O11 V -","- C33 H33 F12 Gd N2 O11 V -","- C264 H264 F96 Gd8 N16 O88 V8 -","8","1","","Costes, Jean-Pierre; Shova, Sergiu; Juan, Juan Modesto Clemente; Suet, Nicolas","The first example of a hetero-tetranuclear [(VO)Gd](2) complex: synthesis, crystal structure and magnetic properties of [VOLGd(hfa)(2)CH(3)OH](2).2CH(3)OH.2(CH(3))(2)CO.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2830","2832","10.1039/b506102d","","","0.71073","MoKα","","0.0624","0.0336","","","0.0587","0.0664","","","","","","0.977","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008702","13.438","0.003","15.821","0.003","18.9","0.004","90","","110.63","0.03","90","","3760.5","1.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 N2 P4 Te4 Zn -","- C24 H56 N2 P4 Te4 Zn -","- C96 H224 N8 P16 Te16 Zn4 -","4","1","","Chivers, Tristram; Eisler, Dana J.; Ritch, Jamie S.","Synthesis and structures of M[N(TePPri2)2-Te,Te']n (n = 2, M = Zn, Cd, Hg; n = 3, M = Sb, Bi): the first ditelluroimidodiphosphinato p- and d-block metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2675","2677","10.1039/b506174a","","","0.71073","MoKα","","0.0453","0.0319","","","0.0752","0.0809","","","","","","1.022","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008703","9.5954","0.0019","20.202","0.004","21.969","0.004","71.09","0.03","80.77","0.03","78.39","0.03","3925.5","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H56 Cd N2 P4 Te4 -","- C24 H56 Cd N2 P4 Te4 -","- C96 H224 Cd4 N8 P16 Te16 -","4","2","","Chivers, Tristram; Eisler, Dana J.; Ritch, Jamie S.","Synthesis and structures of M[N(TePPri2)2-Te,Te']n (n = 2, M = Zn, Cd, Hg; n = 3, M = Sb, Bi): the first ditelluroimidodiphosphinato p- and d-block metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2675","2677","10.1039/b506174a","","","0.71073","MoKα","","0.0396","0.0329","","","0.0789","0.0825","","","","","","1.046","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008704","15.941","0.003","18.177","0.004","20.526","0.004","95.78","0.03","91.69","0.03","93.24","0.03","5904","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H56 Hg N2 P4 Te4 -","- C24 H56 Hg N2 P4 Te4 -","- C144 H336 Hg6 N12 P24 Te24 -","6","3","","Chivers, Tristram; Eisler, Dana J.; Ritch, Jamie S.","Synthesis and structures of M[N(TePPri2)2-Te,Te']n (n = 2, M = Zn, Cd, Hg; n = 3, M = Sb, Bi): the first ditelluroimidodiphosphinato p- and d-block metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2675","2677","10.1039/b506174a","","","0.71073","MoKα","","0.0522","0.0355","","","0.078","0.085","","","","","","1.027","","","","has coordinates","190388","2020-10-21","18:00:00",""
"7008705","25.817","0.005","13.084","0.003","20.05","0.004","90","","122.1","0.03","90","","5737","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 N3 P6 Sb Te6 -","- C36 H84 N3 P6 Sb Te6 -","- C144 H336 N12 P24 Sb4 Te24 -","4","0.5","","Chivers, Tristram; Eisler, Dana J.; Ritch, Jamie S.","Synthesis and structures of M[N(TePPri2)2-Te,Te']n (n = 2, M = Zn, Cd, Hg; n = 3, M = Sb, Bi): the first ditelluroimidodiphosphinato p- and d-block metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2675","2677","10.1039/b506174a","","","0.71073","MoKα","","0.0576","0.0377","","","0.0741","0.0793","","","","","","1.055","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008706","22.156","0.004","13.36","0.003","20.56","0.004","90","","105.24","0.03","90","","5872","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 Bi N3 P6 Te6 -","- C36 H84 Bi N3 P6 Te6 -","- C144 H336 Bi4 N12 P24 Te24 -","4","0.5","","Chivers, Tristram; Eisler, Dana J.; Ritch, Jamie S.","Synthesis and structures of M[N(TePPri2)2-Te,Te']n (n = 2, M = Zn, Cd, Hg; n = 3, M = Sb, Bi): the first ditelluroimidodiphosphinato p- and d-block metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2675","2677","10.1039/b506174a","","","0.71073","MoKα","","0.0998","0.0482","","","0.0831","0.099","","","","","","1.011","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008707","13.266","0.003","19.914","0.002","16.697","0.003","90","","106.776","0.016","90","","4223.3","1.3","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Cl3 Li N2 O3 U -","- C36 H58 Cl3 Li N2 O3 U -","- C144 H232 Cl12 Li4 N8 O12 U4 -","4","1","","Jantunen, Kimberly C.; Haftbaradaran, Farzad; Katz, Michael J.; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B.","Synthesis and structure of diamido ether uranium(IV) and thorium(IV) halide ""ate"" complexes and their conversion to salt-free bis(alkyl) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3083","3091","10.1039/b506180f","","","0.7093","MoKα","","0.1603","0.039","","0.0467","0.0389","0.0389","","","","","","1.1884","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008708","11.259","0.003","13.222","0.004","12.012","0.003","90","","92.45","0.02","90","","1786.5","0.8","293","","293","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C20 H46 I3 Li N2 O3 Si2 U -","- C20 H46 I3 Li N2 O3 Si2 U -","- C40 H92 I6 Li2 N4 O6 Si4 U2 -","2","1","","Jantunen, Kimberly C.; Haftbaradaran, Farzad; Katz, Michael J.; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B.","Synthesis and structure of diamido ether uranium(IV) and thorium(IV) halide ""ate"" complexes and their conversion to salt-free bis(alkyl) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3083","3091","10.1039/b506180f","","","0.709","MoKα","","0.1241","0.0337","","0.0468","0.038","0.038","","","","","","1.0276","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008709","24.157","0.005","17.397","0.004","9.239","0.002","90","","99.17","0.02","90","","3833.2","1.5","293","","293","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C14.5 H24.5 Cl1.5 Li0.5 N O Si Th0.5 -","- C14.5 H24.5 Cl1.5 Li0.5 N O Si Th0.5 -","- C116 H196 Cl12 Li4 N8 O8 Si8 Th4 -","8","1","","Jantunen, Kimberly C.; Haftbaradaran, Farzad; Katz, Michael J.; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B.","Synthesis and structure of diamido ether uranium(IV) and thorium(IV) halide ""ate"" complexes and their conversion to salt-free bis(alkyl) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3083","3091","10.1039/b506180f","","","1.5418","CuKα","","0.0761","0.0469","","0.0873","0.0597","0.0597","","","","","","1.0002","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008710","11.4344","0.0013","20.45","0.005","35.45","0.006","90","","90","","90","","8289","3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H64 N2 O Si2 U -","- C36 H64 N2 O Si2 U -","- C288 H512 N16 O8 Si16 U8 -","8","1","","Jantunen, Kimberly C.; Haftbaradaran, Farzad; Katz, Michael J.; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B.","Synthesis and structure of diamido ether uranium(IV) and thorium(IV) halide ""ate"" complexes and their conversion to salt-free bis(alkyl) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3083","3091","10.1039/b506180f","","","0.7093","MoKα","","0.22","0.0525","","0.0817","","0.0686","","","","","","1.635","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008711","11.019","0.0001","20.309","0.0002","21.647","0.0003","90","","98.425","0.0004","90","","4791.99","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 N4 O2 Si4 Th -","- C44 H68 N4 O2 Si4 Th -","- C176 H272 N16 O8 Si16 Th4 -","4","1","","Jantunen, Kimberly C.; Haftbaradaran, Farzad; Katz, Michael J.; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B.","Synthesis and structure of diamido ether uranium(IV) and thorium(IV) halide ""ate"" complexes and their conversion to salt-free bis(alkyl) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3083","3091","10.1039/b506180f","","","0.71073","MoKα","","0.0577","0.0368","","","0.0627","0.0683","","","","","","1.028","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008712","21.0783","0.0016","21.0783","0.0016","29.741","0.003","90","","90","","90","","13213.8","1.9","120","2","120","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C69 H100 Cl N2 O3 P Pd -","- C69 H100 Cl N2 O3 P Pd -","- C552 H800 Cl8 N16 O24 P8 Pd8 -","8","1","","Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Frost, Robert M.; Horton, Peter N.; Hursthouse, Michael B.; López-Nicolás, Rosa-María","N-Heterocyclic carbene adducts of orthopalladated triarylphosphite complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2774","2779","10.1039/b506286a","","","0.71073","MoKα","","0.0864","0.0531","","","0.0683","0.075","","","","","","1.033","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008713","12.9666","0.001","17.766","0.002","39.401","0.003","90","","90","","90","","9076.6","1.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H62 Cl N2 O4 P Pd -","- C49 H62 Cl N2 O4 P Pd -","- C392 H496 Cl8 N16 O32 P8 Pd8 -","8","1","","Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Frost, Robert M.; Horton, Peter N.; Hursthouse, Michael B.; López-Nicolás, Rosa-María","N-Heterocyclic carbene adducts of orthopalladated triarylphosphite complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2774","2779","10.1039/b506286a","","","0.71073","MoKα","","0.1016","0.0449","","","0.089","0.1131","","","","","","1.044","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008714","12.9482","0.0013","13.284","0.002","37.944","0.008","90","","96.787","0.011","90","","6480.8","1.8","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H98 Cl N2 O4 P Pd -","- C67 H98 Cl N2 O4 P Pd -","- C268 H392 Cl4 N8 O16 P4 Pd4 -","4","1","","Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Frost, Robert M.; Horton, Peter N.; Hursthouse, Michael B.; López-Nicolás, Rosa-María","N-Heterocyclic carbene adducts of orthopalladated triarylphosphite complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2774","2779","10.1039/b506286a","","","0.71073","MoKα","","0.0366","0.0296","","","0.0762","0.08","","","","","","1.037","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008715","10.735","0.005","13.574","0.006","33.028","0.015","90","","90","","90","","4813","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl2 Cu N4 O10.5 -","- C18 H19.5 Cl2 Cu N4 O10.5 -","- C144 H156 Cl16 Cu8 N32 O84 -","8","2","","Patra, Ashis K.; Nethaji, Munirathinam; Chakravarty, Akhil R.","Red-light photosensitized cleavage of DNA by (l-lysine)(phenanthroline base)copper(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2798","2804","10.1039/b506310h","","","0.71073","MoKα","","0.1207","0.0693","","","0.1622","0.1879","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008716","7.292","0.002","21.289","0.006","25.589","0.007","90","","90","","90","","3972.4","1.9","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Au3 F8 N3 O3 -","- C40 H36 Au3 F8 N3 O3 -","- C160 H144 Au12 F32 N12 O12 -","4","1","","Mohamed, Ahmed A.; Rawashdeh-Omary, Manal A; Omary, Mohammad A.; Fackler, Jr, John P","External heavy-atom effect of gold in a supramolecular acid-base pi stack.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2597","2602","10.1039/b506319a","","","0.71073","MoKα","","0.0386","0.038","","","0.0962","0.0968","","","","","","1.005","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008717","11.349","0.003","11.513","0.003","20.346","0.004","105.8","0.018","95.03","0.02","103.31","0.02","2457","1.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H68 Cr2 N4 O2 Si4 -","- C44 H68 Cr2 N4 O2 Si4 -","- C88 H136 Cr4 N8 O4 Si8 -","2","1","","Haftbaradaran, Farzad; Mund, Garry; Batchelor, Raymond J.; Britten, James F.; Leznoff, Daniel B.","Synthesis of mixed-donor amido/amino/siloxo ligands from symmetrical diamidosilylether ligands via a retro-Brook rearrangement and their chromium(ii) complexes","Dalton Transactions","2005","","14","2343","","10.1039/b506322a","","","0.7093","MoKα","","0.1737","0.0575","","0.0557","0.052","0.052","","","","","","2.392","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008718","11.146","0.003","27.506","0.007","22.192","0.005","90","","99.63","0.004","90","","6708","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H100 Cr2 N4 O6 Si4 -","- C52 H84 Cr2 N4 O4 Si4 -","- C208 H336 Cr8 N16 O16 Si16 -","4","0.5","","Haftbaradaran, Farzad; Mund, Garry; Batchelor, Raymond J.; Britten, James F.; Leznoff, Daniel B.","Synthesis of mixed-donor amido/amino/siloxo ligands from symmetrical diamidosilylether ligands via a retro-Brook rearrangement and their chromium(ii) complexes","Dalton Transactions","2005","","14","2343","","10.1039/b506322a","","","0.71073","MoKα","","0.0729","0.0451","","","0.1226","0.1339","","","","","","1.026","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008719","9.727","0.004","15.844","0.006","19.01","0.007","90","","100.599","0.006","90","","2879.7","1.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H92 Cr2 N4 O2 Si4 -","- C56 H92 Cr2 N4 O2 Si4 -","- C112 H184 Cr4 N8 O4 Si8 -","2","0.5","","Haftbaradaran, Farzad; Mund, Garry; Batchelor, Raymond J.; Britten, James F.; Leznoff, Daniel B.","Synthesis of mixed-donor amido/amino/siloxo ligands from symmetrical diamidosilylether ligands via a retro-Brook rearrangement and their chromium(ii) complexes","Dalton Transactions","2005","","14","2343","","10.1039/b506322a","","","0.71073","MoKα","","0.102","0.0508","","","0.1113","0.1352","","","","","","1.032","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008720","9.9739","0.0007","19.6236","0.0013","11.686","0.0008","90","","94.531","0.003","90","","2280.1","0.3","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","[{Li(thf)(Ph2PC(NiPr)2)}2]","","","- C46 H64 Li2 N4 O2 P2 -","- C46 H64 Li2 N4 O2 P2 -","- C92 H128 Li4 N8 O4 P4 -","2","0.5","","Mansfield, Natalie E.; Coles, Martyn P.; Hitchcock, Peter B.","Lithium and aluminium complexes supported by chelating phosphaguanidinates.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2833","2841","10.1039/b506332a","","x-ray","0.71073","MoKα","","0.0849","0.0634","","","0.1616","0.1769","","","","","","1.035","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008721","9.5099","0.0002","11.9348","0.0002","28.6122","0.0006","98.125","0.001","75.908","0.001","122.665","0.003","2651.37","0.13","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[Li(tmeda){Ph2PC(NiPr)2}]","","","- C25 H40 Li N4 P -","- C25 H40 Li N4 P -","- C100 H160 Li4 N16 P4 -","4","2","","Mansfield, Natalie E.; Coles, Martyn P.; Hitchcock, Peter B.","Lithium and aluminium complexes supported by chelating phosphaguanidinates.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2833","2841","10.1039/b506332a","","x-ray","0.71073","MoKα","","0.0813","0.0579","","","0.141","0.1562","","","","","","1.04","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008722","16.0218","0.0009","8.3303","0.0006","17.6419","0.0009","90","","107.443","0.004","90","","2246.3","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","[AlMe2{(NiPr)2CPPh2}]","","","- C21 H30 Al N2 P -","- C21 H30 Al N2 P -","- C84 H120 Al4 N8 P4 -","4","1","","Mansfield, Natalie E.; Coles, Martyn P.; Hitchcock, Peter B.","Lithium and aluminium complexes supported by chelating phosphaguanidinates.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2833","2841","10.1039/b506332a","","x-ray","0.71073","MoKα","","0.0516","0.0408","","","0.0957","0.1009","","","","","","1.042","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008723","15.9891","0.0005","11.2621","0.0003","15.4755","0.0003","90","","104.277","0.002","90","","2700.62","0.12","173","2","173","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C31 H34 Al N2 P -","- C31 H34 Al N2 P -","- C124 H136 Al4 N8 P4 -","4","1","","Mansfield, Natalie E.; Coles, Martyn P.; Hitchcock, Peter B.","Lithium and aluminium complexes supported by chelating phosphaguanidinates.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2833","2841","10.1039/b506332a","","x-ray","0.71073","MoKα","","0.0337","0.0299","","","0.072","0.0743","","","","","","1.014","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008724","9.5561","0.0001","16.2957","0.0002","11.0233","0.0001","90","","110.461","0.0007","90","","1608.29","0.03","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H35 Cl N3 O P Pd -","- C37 H35 Cl N3 O P Pd -","- C74 H70 Cl2 N6 O2 P2 Pd2 -","2","1","","Mota, Antonio J.; Dedieu, Alain; Kuhn, Pierre; Matt, Dominique; Welter, Richard; Neuburger, Markus","Can weak interactions modify the binding properties of a strong nitrogen donor? Unusual N-coordination of a phosphoranylidene-substituted pyrazolone unit towards palladium(II) centres: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3155","3160","10.1039/b506352n","","","0.71073","MoKα","","0.0265","0.0236","","0.0281","0.0254","0.0254","","","","","","1.0672","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008725","10.486","0.0004","11.135","0.0005","18.487","0.0008","76.56","0.05","87.92","0.05","67.8","0.05","1940.6","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H50 Cl14 N4 O2 P2 Pd -","- C60 H50 Cl14 N4 O2 P2 Pd -","- C60 H50 Cl14 N4 O2 P2 Pd -","1","0.5","","Mota, Antonio J.; Dedieu, Alain; Kuhn, Pierre; Matt, Dominique; Welter, Richard; Neuburger, Markus","Can weak interactions modify the binding properties of a strong nitrogen donor? Unusual N-coordination of a phosphoranylidene-substituted pyrazolone unit towards palladium(II) centres: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3155","3160","10.1039/b506352n","","","0.71069","MoKα","","0.1438","0.0915","","","0.219","0.2418","","","","","","0.835","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008726","8.971","0.001","13.87","0.001","12.95","0.001","90","","90.901","0.01","90","","1611.1","0.2","150","","150","","","","1","","","","?","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O8 Pb -","- C13 H17 N O8 Pb -","- C52 H68 N4 O32 Pb4 -","4","1","","Buston, Jonathan E. H.; Claridge, Tim D. W.; Heyes, Stephen J.; Leech, Michael A.; Moloney, Mark G.; Prout, Keith; Stevenson, Maya","Structural investigations of a lead(IV) tetraacetate-pyridine complex.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3195","3203","10.1039/b506366c","","","0.71073","MoKα","","0.0291","0.0243","","0.0276","0.0274","0.0274","","","","","","1.2189","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008727","9.103","0.0003","14.036","0.0006","13.122","0.0005","90","","90.625","0.002","90","","1676.49","0.11","293","","293","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O8 Pb -","- C13 H17 N O8 Pb -","- C52 H68 N4 O32 Pb4 -","4","1","","Buston, Jonathan E. H.; Claridge, Tim D. W.; Heyes, Stephen J.; Leech, Michael A.; Moloney, Mark G.; Prout, Keith; Stevenson, Maya","Structural investigations of a lead(IV) tetraacetate-pyridine complex.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3195","3203","10.1039/b506366c","","","0.71073","MoKα","","0.0343","0.0286","","0.0342","0.0338","0.0338","","","","","","0.9807","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008728","8.9985","0.0007","11.6633","0.0009","12.3578","0.0009","116.7","0.001","95.46","0.002","106.721","0.002","1070.84","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Ag Cl O8 S6 -","- C40 H48 Ag Cl O8 S6 -","- C40 H48 Ag Cl O8 S6 -","1","0.5","","Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Song, Mi Ryoung; Lee, So Young; Choi, Kyu Seong; Jung, Ok-Sang; Park, Ki-Min; Lee, Shim Sung","Donor effect on supramolecular structures of silver(I) perchlorate complexes of macrocycles with O2S2X (X=S, O and NH) donor sets.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2352","2354","10.1039/b506438d","","","0.71073","MoKα","","0.058","0.0426","","","0.1005","0.1093","","","","","","1.045","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008729","10.6319","0.001","21.039","0.002","11.8585","0.0011","90","","107.158","0.002","90","","2534.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Ag Cl N O7 S2 -","- C22 H27 Ag Cl N O7 S2 -","- C88 H108 Ag4 Cl4 N4 O28 S8 -","4","1","","Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Song, Mi Ryoung; Lee, So Young; Choi, Kyu Seong; Jung, Ok-Sang; Park, Ki-Min; Lee, Shim Sung","Donor effect on supramolecular structures of silver(I) perchlorate complexes of macrocycles with O2S2X (X=S, O and NH) donor sets.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2352","2354","10.1039/b506438d","","","0.71073","MoKα","","0.0538","0.0419","","","0.1053","0.1123","","","","","","1.033","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008730","24.31","0.002","12.6134","0.0012","18.2148","0.0018","90","","92.659","0.002","90","","5579.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Ag4 Cl4 O24 S4 -","- C42 H54 Ag4 Cl4 O24 S4 -","- C168 H216 Ag16 Cl16 O96 S16 -","4","1","","Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Song, Mi Ryoung; Lee, So Young; Choi, Kyu Seong; Jung, Ok-Sang; Park, Ki-Min; Lee, Shim Sung","Donor effect on supramolecular structures of silver(I) perchlorate complexes of macrocycles with O2S2X (X=S, O and NH) donor sets.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2352","2354","10.1039/b506438d","","","0.71073","MoKα","","0.1573","0.0672","","","0.1725","0.2212","","","","","","1.012","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008731","11.5691","0.0008","13.3821","0.001","16.2842","0.0012","85.787","0.001","75.283","0.001","82.898","0.001","2417.4","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H106 Ag4 Cl4 N6 O24 S8 -","- C84 H106 Ag4 Cl4 N6 O24 S8 -","- C84 H106 Ag4 Cl4 N6 O24 S8 -","1","0.5","","Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Song, Mi Ryoung; Lee, So Young; Choi, Kyu Seong; Jung, Ok-Sang; Park, Ki-Min; Lee, Shim Sung","Donor effect on supramolecular structures of silver(I) perchlorate complexes of macrocycles with O2S2X (X=S, O and NH) donor sets.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2352","2354","10.1039/b506438d","","","0.71073","MoKα","","0.0739","0.0444","","","0.1111","0.1282","","","","","","1.042","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008732","18.2837","0.0008","11.1486","0.0006","19.2661","0.0007","90","","115.341","0.003","90","","3549.3","0.3","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","[C6H4(NCH2tBu)2Si(SiMe3){N(tBu)(Li(thf)2)}]","","","- C31 H60 Li N3 O2 Si2 -","- C31 H60 Li N3 O2 Si2 -","- C124 H240 Li4 N12 O8 Si8 -","4","1","","Gehrhus, Barbara; Hitchcock, Peter B.; Parruci, Massimo","Reaction of the stable silylene Si[(NCH2But)2C6H4-1,2] with lithium amides.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2720","2725","10.1039/b506610g","","x-ray","0.71073","MoKα","","0.0936","0.0574","","","0.1278","0.1438","","","","","","1.024","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008733","18.2629","0.001","19.5814","0.0007","21.4761","0.0011","90","","90","","90","","7680.1","0.6","173","2","173","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","[C6H4(NCH2tBu)2Si(Li(thf)2}{N(SiMe3)(C6H3Me2)}]","","","- C35 H60 Li N3 O2 Si2 -","- C35 H60 Li N3 O2 Si2 -","- C280 H480 Li8 N24 O16 Si16 -","8","1","","Gehrhus, Barbara; Hitchcock, Peter B.; Parruci, Massimo","Reaction of the stable silylene Si[(NCH2But)2C6H4-1,2] with lithium amides","Dalton transactions (Cambridge, England : 2003)","2005","","16","2720","2725","10.1039/b506610g","","x-ray","0.71073","MoKα","","0.0902","0.062","","","0.1607","0.1822","","","","","","1.01","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008734","10.8302","0.0005","23.064","0.0014","13.7482","0.0009","90","","90.062","0.004","90","","3434.1","0.3","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","[C6H4(NCH2tBu)Si(SNMe2)Li(thf)3]","","","- C30 H56 Li N3 O3 Si -","- C30 H56 Li N3 O3 Si -","- C120 H224 Li4 N12 O12 Si4 -","4","1","","Gehrhus, Barbara; Hitchcock, Peter B.; Parruci, Massimo","Reaction of the stable silylene Si[(NCH2But)2C6H4-1,2] with lithium amides.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2720","2725","10.1039/b506610g","","x-ray","0.71073","MoKα","","0.1171","0.0778","","","0.1972","0.2229","","","","","","1.04","","","","has coordinates","209363","2020-10-21","18:00:00",""
"7008735","10.5648","0.0002","18.463","0.0004","20.1835","0.0003","108.811","0.001","90.65","0.001","92.189","0.001","3722.78","0.12","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","jun3300","","","- C34 H64 Li N3 O3 Si -","- C34 H64 Li N3 O3 Si -","- C136 H256 Li4 N12 O12 Si4 -","4","2","","Gehrhus, Barbara; Hitchcock, Peter B.; Parruci, Massimo","Reaction of the stable silylene Si[(NCH2But)2C6H4-1,2] with lithium amides.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2720","2725","10.1039/b506610g","","x-ray","0.71073","MoKα","","0.0797","0.0616","","","0.1579","0.1727","","","","","","1.024","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008736","9.375","0.002","9.375","0.002","51.014","0.004","90","","90","","120","","3883","1.2","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C19.86 Cr Mn N O12 -","- C19.86 Cr Mn N O12 -","- C119.16 Cr6 Mn6 N6 O72 -","6","0.333333","","Ovanesyan, Nikolaï S; Makhaev, Viktor D.; Aldoshin, Sergei M.; Gredin, Patrick; Boubekeur, Kamal; Train, Cyrille; Gruselle, Michel","Structure, magnetism and optical properties of achiral and chiral two-dimensional oxalate-bridged anionic networks with symmetric and asymmetric ammonium cations.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3101","3107","10.1039/b506671a","","","0.71073","MoKα","","0.0887","0.0521","","","0.1276","0.1627","","","","","","1.177","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008737","13.586","0.001","16.156","0.001","18.833","0.002","90","","90","","90","","4133.8","0.6","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C11 H24 Cl2 Hg N2 O8 S3 -","- C11 H24 Cl2 Hg N2 O8 S3 -","- C88 H192 Cl16 Hg8 N16 O64 S24 -","8","2","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Decortes, Antonello; Demartin, Francesco; Devillanova, Francesco A.; Faggi, Enrico; Dolci, Luisa Stella; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Prodi, Luca; Wilson, Claire; Valtancoli, Barbara; Zaccheroni, Nelsi","Coordination chemistry of N-aminopropyl pendant arm derivatives of mixed N/S-, and N/S/O-donor macrocycles, and construction of selective fluorimetric chemosensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2994","3004","10.1039/b506785e","","","0.71073","MoKα","","0.0776","0.036","","","0.0659","0.0799","","","","","","1.056","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008738","7.6926","0.0014","10.479","0.002","28.649","0.005","90","","90","","90","","2309.4","0.7","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 Cl2 Cu N2 O11 S2 -","- C13 H28 Cl2 Cu N2 O11 S2 -","- C52 H112 Cl8 Cu4 N8 O44 S8 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Decortes, Antonello; Demartin, Francesco; Devillanova, Francesco A.; Faggi, Enrico; Dolci, Luisa Stella; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Prodi, Luca; Wilson, Claire; Valtancoli, Barbara; Zaccheroni, Nelsi","Coordination chemistry of N-aminopropyl pendant arm derivatives of mixed N/S-, and N/S/O-donor macrocycles, and construction of selective fluorimetric chemosensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2994","3004","10.1039/b506785e","","","0.71073","MoKα","","0.0465","0.0397","","","0.0819","0.0838","","","","","","0.967","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008739","15.788","0.002","9.698","0.001","13.262","0.001","90","","90","","90","","2030.6","0.4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C11 H24 Cl2 N2 O9 S2 Zn -","- C11 H24 Cl2 N2 O9 S2 Zn -","- C44 H96 Cl8 N8 O36 S8 Zn4 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Decortes, Antonello; Demartin, Francesco; Devillanova, Francesco A.; Faggi, Enrico; Dolci, Luisa Stella; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Prodi, Luca; Wilson, Claire; Valtancoli, Barbara; Zaccheroni, Nelsi","Coordination chemistry of N-aminopropyl pendant arm derivatives of mixed N/S-, and N/S/O-donor macrocycles, and construction of selective fluorimetric chemosensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2994","3004","10.1039/b506785e","","","0.71073","MoKα","","0.0758","0.0491","","","0.1347","0.1402","","","","","","0.82","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008740","13.128","0.002","16.559","0.009","16.951","0.002","90","","90","","90","","3685","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H24 Cd N4 O7 S2 -","- C11 H24 Cd N4 O7 S2 -","- C88 H192 Cd8 N32 O56 S16 -","8","1","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Decortes, Antonello; Demartin, Francesco; Devillanova, Francesco A.; Faggi, Enrico; Dolci, Luisa Stella; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Prodi, Luca; Wilson, Claire; Valtancoli, Barbara; Zaccheroni, Nelsi","Coordination chemistry of N-aminopropyl pendant arm derivatives of mixed N/S-, and N/S/O-donor macrocycles, and construction of selective fluorimetric chemosensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2994","3004","10.1039/b506785e","","","0.71073","MoKα","","0.0479","0.0258","","","0.0655","0.0713","","","","","","1.1","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008741","11.535","0.001","12.242","0.001","17.296","0.002","90","","90","","90","","2442.4","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H33 Cl2 N3 O10 S2 -","- C14 H34 Cl2 N3 O10 S2 -","- C56 H136 Cl8 N12 O40 S8 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Decortes, Antonello; Demartin, Francesco; Devillanova, Francesco A.; Faggi, Enrico; Dolci, Luisa Stella; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Prodi, Luca; Wilson, Claire; Valtancoli, Barbara; Zaccheroni, Nelsi","Coordination chemistry of N-aminopropyl pendant arm derivatives of mixed N/S-, and N/S/O-donor macrocycles, and construction of selective fluorimetric chemosensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2994","3004","10.1039/b506785e","","","0.71073","MoKα","","0.119","0.0745","","","0.2431","0.2538","","","","","","0.955","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008742","9.775","0.009","10.351","0.005","14.61","0.007","90.195","0.009","94.01","0.008","93.062","0.008","1472.5","1.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Cd N4 O7 S -","- C8 H18 Cd N4 O7 S -","- C32 H72 Cd4 N16 O28 S4 -","4","2","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Decortes, Antonello; Demartin, Francesco; Devillanova, Francesco A.; Faggi, Enrico; Dolci, Luisa Stella; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Prodi, Luca; Wilson, Claire; Valtancoli, Barbara; Zaccheroni, Nelsi","Coordination chemistry of N-aminopropyl pendant arm derivatives of mixed N/S-, and N/S/O-donor macrocycles, and construction of selective fluorimetric chemosensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2994","3004","10.1039/b506785e","","","0.71073","MoKα","","0.0567","0.0441","","","0.0916","0.0959","","","","","","1.068","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008743","7.384","0.001","11.296","0.001","16.211","0.001","93.54","0.01","94.13","0.01","106.72","0.01","1286.8","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H27 Cu3 Na3 O24 -","- C12 H25 Cu3 Na3 O24 -","- C24 H50 Cu6 Na6 O48 -","2","1","","Gautier-Luneau, Isabelle; Phanon, Delphine; Duboc, Carole; Luneau, Dominique; Pierre, Jean-Louis","Electron delocalisation in a trinuclear copper(ii) complex: high-field EPR characterization and magnetic properties of Na3[Cu3(mal)3(H2O)]·8H2O","Dalton Transactions","2005","","23","3795","","10.1039/b506934c","","","0.7107","MoKα","","0.0559","0.0559","","0.0686","","0.0686","","","1.896","","","1.896","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7008744","9.154","0.0008","10.6559","0.0008","25.39","0.002","90","","90","","90","","2476.6","0.3","143","2","143","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Au Cl Fe P S -","- C28 H23 Au Cl Fe P S -","- C112 H92 Au4 Cl4 Fe4 P4 S4 -","4","1","","Aguado, Javier E.; Canales, Silvia; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Villacampa, M. Dolores","Group 11 complexes with unsymmetrical P,S and P,Se disubstituted ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3005","3015","10.1039/b507058a","","","0.71073","MoKα","","0.03","0.0235","","","0.0414","0.043","","","","","","0.98","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008745","10.041","0.0007","22.009","0.0015","11.8345","0.0008","90","","106.22","0.001","90","","2511.2","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Au Cl Fe P Se -","- C28 H23 Au Cl Fe P Se -","- C112 H92 Au4 Cl4 Fe4 P4 Se4 -","4","1","","Aguado, Javier E.; Canales, Silvia; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Villacampa, M. Dolores","Group 11 complexes with unsymmetrical P,S and P,Se disubstituted ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3005","3015","10.1039/b507058a","","","0.71073","MoKα","","0.0697","0.0403","","","0.0711","0.0768","","","","","","0.824","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008746","31.212","0.006","12.97","0.003","22.518","0.005","90","","132.7","0.03","90","","6699","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 Au F5 Fe P S -","- C37.25 H23 Au F5 Fe P S -","- C298 H184 Au8 F40 Fe8 P8 S8 -","8","1","","Aguado, Javier E.; Canales, Silvia; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Villacampa, M. Dolores","Group 11 complexes with unsymmetrical P,S and P,Se disubstituted ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3005","3015","10.1039/b507058a","","","0.71073","MoKα","","0.0657","0.0345","","","0.0728","0.0826","","","","","","1.007","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008747","11.7891","0.0005","14.7442","0.0006","18.4764","0.0008","73.385","0.001","84.788","0.001","76.932","0.001","2996.6","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H23 Au F5 Fe P Se -","- C34 H23 Au F5 Fe P Se -","- C136 H92 Au4 F20 Fe4 P4 Se4 -","4","2","","Aguado, Javier E.; Canales, Silvia; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Villacampa, M. Dolores","Group 11 complexes with unsymmetrical P,S and P,Se disubstituted ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3005","3015","10.1039/b507058a","","","0.71073","MoKα","","0.0557","0.0425","","","0.0931","0.0966","","","","","","0.933","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008748","11.55","0.001","12.6343","0.001","19.883","0.0016","87.345","0.003","87.028","0.003","80.112","0.003","2852.4","0.4","143","2","143","2","","","","","","","","9","P -1","-P 1","2","","","","- C29.25 H23.5 Ag Cl0.5 F3 Fe O3 P S2 -","- C29.25 H23.5 Ag Cl0.5 F3 Fe O3 P S2 -","- C117 H94 Ag4 Cl2 F12 Fe4 O12 P4 S8 -","4","2","","Aguado, Javier E.; Canales, Silvia; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Villacampa, M. Dolores","Group 11 complexes with unsymmetrical P,S and P,Se disubstituted ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3005","3015","10.1039/b507058a","","","0.71073","MoKα","","0.051","0.0323","","","0.0756","0.0816","","","","","","0.991","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008749","9.7756","0.0009","12.0232","0.0011","12.7493","0.0012","66.89","0.001","86.717","0.002","84.285","0.002","1371.1","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H23 Ag F3 Fe O3 P S Se -","- C29 H23 Ag F3 Fe O3 P S Se -","- C58 H46 Ag2 F6 Fe2 O6 P2 S2 Se2 -","2","1","","Aguado, Javier E.; Canales, Silvia; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Villacampa, M. Dolores","Group 11 complexes with unsymmetrical P,S and P,Se disubstituted ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3005","3015","10.1039/b507058a","","","0.71073","MoKα","","0.0938","0.0536","","","0.1014","0.1114","","","","","","0.807","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008750","10.7313","0.0008","18.2674","0.0014","22.6389","0.0016","90","","97.837","0.003","90","","4396.5","0.6","143","2","143","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C47.5 H39 Ag Cl F3 Fe O3 P2 S2 -","- C47.5 H39 Ag Cl F3 Fe O3 P2 S2 -","- C190 H156 Ag4 Cl4 F12 Fe4 O12 P8 S8 -","4","1","","Aguado, Javier E.; Canales, Silvia; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Villacampa, M. Dolores","Group 11 complexes with unsymmetrical P,S and P,Se disubstituted ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3005","3015","10.1039/b507058a","","","0.71073","MoKα","","0.0497","0.0313","","","0.0719","0.08","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008751","12.9511","0.0014","16.8249","0.0019","20.548","0.002","90","","106.689","0.003","90","","4288.8","0.8","100","2","273","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H38 Ag F3 Fe O3 P2 S Se -","- C47 H38 Ag F3 Fe O3 P2 S Se -","- C188 H152 Ag4 F12 Fe4 O12 P8 S4 Se4 -","4","1","","Aguado, Javier E.; Canales, Silvia; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Villacampa, M. Dolores","Group 11 complexes with unsymmetrical P,S and P,Se disubstituted ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3005","3015","10.1039/b507058a","","","0.71073","MoKα","","0.1155","0.0595","","","0.1111","0.1287","","","","","","0.966","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008752","19.8259","0.0004","7.6318","0.0002","16.3772","0.0006","90","","108.045","0.0017","90","","2356.11","0.12","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 2/c 1","-P 2yc","13","(1,4,8,11-tetraazacyclotetradecane-1-yl)methylphosphonic acid tribromide tetrahydrate","","","- C11 H38 Br3 N4 O7 P -","- C11 H28 Br3 N4 O7 P -","- C44 H112 Br12 N16 O28 P4 -","4","1","","Füzerová, Silvia; Kotek, Jan; Císarová, Ivana; Hermann, Petr; Binnemans, Koen; Lukes, Ivan","Cyclam (1,4,8,11-tetraazacyclotetradecane) with one methylphosphonate pendant arm: a new ligand for selective copper(ii) binding.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2908","2915","10.1039/b507062g","","","0.71073","MoKα","","0.0863","0.0659","","","0.1932","0.2085","","","","","","1.056","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008753","8.1457","0.0003","8.7318","0.0002","13.6044","0.0003","79.976","0.0017","75.351","0.0016","67.2382","0.0015","860.12","0.04","150","2","150","2","","","","","","","synthesized by the authors","7","P -1","-P 1","2","trans-Br,O-(bromo-((1,4,8,11-tetraazacyclotetradecane-1- yl)methylphosphonate) copper(ii)) hydrate","","","- C11 H28 Br Cu N4 O4 P -","- C11 H28 Br Cu N4 O4 P -","- C22 H56 Br2 Cu2 N8 O8 P2 -","2","1","","Füzerová, Silvia; Kotek, Jan; Císarová, Ivana; Hermann, Petr; Binnemans, Koen; Lukes, Ivan","Cyclam (1,4,8,11-tetraazacyclotetradecane) with one methylphosphonate pendant arm: a new ligand for selective copper(ii) binding.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2908","2915","10.1039/b507062g","","","0.71073","MoKα","","0.0326","0.0265","","","0.0612","0.0644","","","","","","1.045","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008754","9.0641","0.0001","26.5943","0.0004","9.4785","0.0001","90","","117.044","0.0008","90","","2035","0.05","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 m 1","P -2y","6","bis(((1,4,8,11-tetraazacyclotetradecane-1- yl)methylphosphonate)copper(ii)) trihydrobromide hexahydrate","","","- C22 H65 Br3 Cu2 N8 O12 P2 -","- C22 H63 Br3 Cu2 N8 O12 P2 -","- C44 H126 Br6 Cu4 N16 O24 P4 -","2","1","","Füzerová, Silvia; Kotek, Jan; Císarová, Ivana; Hermann, Petr; Binnemans, Koen; Lukes, Ivan","Cyclam (1,4,8,11-tetraazacyclotetradecane) with one methylphosphonate pendant arm: a new ligand for selective copper(ii) binding.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2908","2915","10.1039/b507062g","","","0.71073","MoKα","","0.0286","0.025","","","0.0528","0.0541","","","","","","1.036","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008755","18.547","0.003","13.246","0.002","29.374","0.004","90","","98.08","0.003","90","","7144.8","1.9","120","3","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H74 Br6 Cu4 N10 O17 -","- C62 H74 Br6 Cu4 N10 O17 -","- C248 H296 Br24 Cu16 N40 O68 -","4","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M.; Corbella, Montserrat; Bermejo, Manuel R.; Sanmartín, Jesús","Ferromagnetism in dinuclear copper(ii)-phenolate complexes with exogenous O-donor bridges: a comparative study","Dalton Transactions","2005","","23","3785","","10.1039/b507068f","","","0.71073","MoKα","","0.0785","0.0402","","","0.0867","0.1055","","","","","","1.01","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008756","12.6006","0.0014","16.1358","0.0018","16.2462","0.0018","85.798","0.002","80.565","0.002","77.818","0.002","3182.6","0.6","123","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H64.5 Br6 Cu4 N10 O10.25 -","- C58 H60 Br6 Cu4 N10 O10.262 -","- C116 H120 Br12 Cu8 N20 O20.524 -","2","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M.; Corbella, Montserrat; Bermejo, Manuel R.; Sanmartín, Jesús","Ferromagnetism in dinuclear copper(ii)-phenolate complexes with exogenous O-donor bridges: a comparative study","Dalton Transactions","2005","","23","3785","","10.1039/b507068f","","","0.71073","MoKα","","0.0721","0.0355","","","0.067","0.0786","","","","","","1.03","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008757","9.9213","0.0012","11.4347","0.0014","28.335","0.003","90","","97.937","0.002","90","","3183.7","0.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H31 Br3 Cu2 N4 O5.5 -","- C28.521 H29.084 Br3 Cu2 N4 O5.607 -","- C114.084 H116.336 Br12 Cu8 N16 O22.428 -","4","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M.; Corbella, Montserrat; Bermejo, Manuel R.; Sanmartín, Jesús","Ferromagnetism in dinuclear copper(ii)-phenolate complexes with exogenous O-donor bridges: a comparative study","Dalton Transactions","2005","","23","3785","","10.1039/b507068f","","","0.71073","MoKα","","0.0813","0.0386","","","0.0782","0.0968","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008758","18.583","0.007","13.026","0.005","14.035","0.005","90","","90","","90","","3397","2","193.2","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H12 Cu F N3 S3 -","- C16 H12 Cu F N3 S3 -","- C128 H96 Cu8 F8 N24 S24 -","8","2","","Miyamoto, Riichi; Santo, Ryoko; Matsushita, Toshio; Nishioka, Takanori; Ichimura, Akio; Teki, Yoshio; Kinoshita, Isamu","A complete series of copper(II) halide complexes (X = F, Cl, Br, I) with a novel Cu(II)-C(sp3) bond.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3179","3186","10.1039/b507073b","","","0.7107","MoKα","","","0.0521","","","","0.0916","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008759","9.329","0.003","13.504","0.004","14.721","0.005","90","","90","","90","","1854.5","1","193.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cu I N3 S3 -","- C16 H12 Cu I N3 S3 -","- C64 H48 Cu4 I4 N12 S12 -","4","1","","Miyamoto, Riichi; Santo, Ryoko; Matsushita, Toshio; Nishioka, Takanori; Ichimura, Akio; Teki, Yoshio; Kinoshita, Isamu","A complete series of copper(II) halide complexes (X = F, Cl, Br, I) with a novel Cu(II)-C(sp3) bond.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3179","3186","10.1039/b507073b","","","0.7107","MoKα","","","0.06","","","","0.121","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008760","17.156","0.0003","18.3999","0.0003","20.7284","0.0003","90","","90","","90","","6543.31","0.18","273","2","273","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H52 Cu2 N8 O50 Si W12 -","- C40 H32 Cu2 N8 O42 Si W12 -","- C160 H128 Cu8 N32 O168 Si4 W48 -","4","1","","Lisnard, Laurent; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Codjovi, Epiphane; Sécheresse, Francis","Molecular and multidimensional polyoxotungstates functionalized by {Cu(bpy)}2+ groups.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3913","3920","10.1039/b507124k","","","0.71073","MoKα","","0.0834","0.0562","","","0.1419","0.1609","","","","","","0.991","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008761","15.7959","0.0005","24.2073","0.0008","21.3022","0.0008","90","","95.382","0.002","90","","8109.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H55 Cu6 N10 O54 P3 W11 -","- C50 H40 Cu6 N10 O49 P3 W11 -","- C200 H160 Cu24 N40 O196 P12 W44 -","4","1","","Lisnard, Laurent; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Codjovi, Epiphane; Sécheresse, Francis","Molecular and multidimensional polyoxotungstates functionalized by {Cu(bpy)}2+ groups.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3913","3920","10.1039/b507124k","","","0.71073","MoKα","","0.0817","0.0452","","","0.1162","0.1444","","","","","","1.141","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008762","21.5883","0.0004","15.8577","0.0003","22.7514","0.0005","90","","100.547","0.001","90","","7657.1","0.3","273","2","273","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C55 H75 Cu3 N11 O55 P W11 -","- C47.5 H38 Cu3 N9.5 O43 P W11 -","- C190 H152 Cu12 N38 O172 P4 W44 -","4","1","","Lisnard, Laurent; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Codjovi, Epiphane; Sécheresse, Francis","Molecular and multidimensional polyoxotungstates functionalized by {Cu(bpy)}2+ groups.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3913","3920","10.1039/b507124k","","","0.71073","MoKα","","0.1189","0.0757","","","0.1619","0.1895","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008763","18.1584","0.0002","22.2622","0.0004","22.3088","0.0003","90","","90","","90","","9018.2","0.2","273","2","273","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C45 H85.5 Cu3.5 N9 Na1.5 O63 P W10.5 -","- C40 H32 Cu3.56 N8 O46 P W10.56 -","- C160 H128 Cu14.24 N32 O184 P4 W42.24 -","4","0.5","","Lisnard, Laurent; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Codjovi, Epiphane; Sécheresse, Francis","Molecular and multidimensional polyoxotungstates functionalized by {Cu(bpy)}2+ groups.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3913","3920","10.1039/b507124k","","","0.71073","MoKα","","0.2066","0.0968","","","0.2298","0.2802","","","","","","1.052","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008764","20.6081","0.0003","18.4161","0.0003","17.5445","0.0001","90","","91.888","0.001","90","","6654.89","0.15","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 Cu4 N8 Na O38.5 P W8 -","- C40 H32 Cu4 N8 Na0.5 O38 P W8 -","- C160 H128 Cu16 N32 Na2 O152 P4 W32 -","4","1","","Lisnard, Laurent; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Codjovi, Epiphane; Sécheresse, Francis","Molecular and multidimensional polyoxotungstates functionalized by {Cu(bpy)}2+ groups.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3913","3920","10.1039/b507124k","","","0.71073","MoKα","","0.1265","0.064","","","0.1237","0.1481","","","","","","0.953","","","","has coordinates","291143","2024-04-09","08:47:49",""
"7008765","10.087","0.002","10.498","0.002","11.975","0.002","84.5","0.03","87.24","0.03","80.8","0.03","1245.3","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","cis-Bis((mu2-3,3,3',3'-tetraethyl-1,1'- isophthaloylbis(thioureato))di iodoplatinum(IV))","cis-Bis((mu2-3,3,3',3'-tetraethyl-1,1'-isophthaloylbis(thioureato))di iodoplatinum(IV))","","- C36 H48 I4 N8 O4 Pt2 S4 -","- C36 H48 I4 N8 O4 Pt2 S4 -","- C36 H48 I4 N8 O4 Pt2 S4 -","1","0.5","","Westra, Arjan N.; Bourne, Susan A.; Koch, Klaus R.","First metallamacrocyclic complexes of Pt(iv) with 3,3,3',3'-tetraalkyl-1,1'-phenylenedicarbonylbis(thioureas): synthesis by direct or electrolytic oxidative addition of I(2), Br(2) and Cl(2).","Dalton transactions (Cambridge, England : 2003)","2005","","17","2916","2924","10.1039/b507188g","","","0.71073","MoKα","","0.0277","0.022","","","0.0457","0.0479","","","","","","1.041","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008766","9.2877","0.0011","18.736","0.002","13.8036","0.0016","90","","103.137","0.002","90","","2339.2","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cis-bis((mu2-3,3,3',3'-tetraethyl-1,1'- isophthaloylbis(thioureato))di bromoplatinum(IV))","cis-bis((mu2-3,3,3',3'-tetraethyl-1,1'-isophthaloylbis(thioureato))di bromoplatinum(IV))","","- C36 H48 Br4 N8 O4 Pt2 S4 -","- C36 H48 Br4 N8 O4 Pt2 S4 -","- C72 H96 Br8 N16 O8 Pt4 S8 -","2","0.5","","Westra, Arjan N.; Bourne, Susan A.; Koch, Klaus R.","First metallamacrocyclic complexes of Pt(iv) with 3,3,3',3'-tetraalkyl-1,1'-phenylenedicarbonylbis(thioureas): synthesis by direct or electrolytic oxidative addition of I(2), Br(2) and Cl(2).","Dalton transactions (Cambridge, England : 2003)","2005","","17","2916","2924","10.1039/b507188g","","","0.71073","MoKα","","0.0386","0.0346","","","0.0952","0.0973","","","","","","1.047","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008767","9.26","0.0019","17.863","0.004","14.504","0.003","90","","107.08","0.03","90","","2293.3","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cis-bis((mu2-3,3,3',3'-tetraethyl-1,1'- isophthaloylbis(thioureato))di chloroplatinum(IV))","cis-bis((mu2-3,3,3',3'-tetraethyl-1,1'-isophthaloylbis(thioureato))di chloroplatinum(IV))","","- C36 H48 Cl4 N8 O4 Pt2 S4 -","- C36 H48 Cl4 N8 O4 Pt2 S4 -","- C72 H96 Cl8 N16 O8 Pt4 S8 -","2","0.5","","Westra, Arjan N.; Bourne, Susan A.; Koch, Klaus R.","First metallamacrocyclic complexes of Pt(iv) with 3,3,3',3'-tetraalkyl-1,1'-phenylenedicarbonylbis(thioureas): synthesis by direct or electrolytic oxidative addition of I(2), Br(2) and Cl(2).","Dalton transactions (Cambridge, England : 2003)","2005","","17","2916","2924","10.1039/b507188g","","","0.71073","MoKα","","0.0461","0.0315","","","0.0606","0.0654","","","","","","1.048","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008768","10.398","0.002","10.654","0.002","14.201","0.003","102.53","0.03","108.39","0.03","105.77","0.03","1355.4","0.7","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C58 H87 N4 Tl -","- C58 H87 N4 Tl -","- C58 H87 N4 Tl -","1","1","","Jones, Cameron; Junk, Peter C.; Platts, Jamie A.; Rathmann, Daniel; Stasch, Andreas","Synthesis, characterisation and theoretical studies of amidinato-indium(I) and thallium(I) complexes: isomers of neutral group 13 metal(I) carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2497","2499","10.1039/b507242e","","","0.71073","MoKα","","0.0544","0.0525","","","0.1353","0.1377","","","","","","1.047","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008769","10.436","0.002","10.67","0.002","14.277","0.003","102.258","0.01","109.421","0.01","105.79","0.01","1360.1","0.5","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C58 H87 In N4 -","- C58 H87 In N4 -","- C58 H87 In N4 -","1","1","","Jones, Cameron; Junk, Peter C.; Platts, Jamie A.; Rathmann, Daniel; Stasch, Andreas","Synthesis, characterisation and theoretical studies of amidinato-indium(I) and thallium(I) complexes: isomers of neutral group 13 metal(I) carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2497","2499","10.1039/b507242e","","","0.71073","MoKα","","0.0681","0.0529","","","0.1175","0.1261","","","","","","1.033","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008770","37.6052","0.0005","10.2296","0.0001","19.9346","0.0002","90","","105.446","0.001","90","","7391.59","0.15","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H59 Cl N4 Si2 -","- C35 H59 Cl N4 Si2 -","- C280 H472 Cl8 N32 Si16 -","8","1","","Delawar, Mahmood; Gehrhus, Barbara; Hitchcock, Peter B.","Reactions of a stable silylene with halocarbons.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2945","2953","10.1039/b507462b","","x-ray","0.71073","MoKα","","0.0508","0.0413","","","0.0958","0.1005","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008771","10.2646","0.0005","18.5123","0.001","10.618","0.0005","99.309","0.003","70.322","0.003","82.774","0.003","1839.18","0.17","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[{C6H4(NCH2tBu)2}Si(Cl)Si(CH2Cl){(NCH2tBu)2C6H4}","","","- C33 H54 Cl2 N4 Si2 -","- C33 H54 Cl2 N4 Si2 -","- C66 H108 Cl4 N8 Si4 -","2","1","","Delawar, Mahmood; Gehrhus, Barbara; Hitchcock, Peter B.","Reactions of a stable silylene with halocarbons","Dalton transactions (Cambridge, England : 2003)","2005","","17","2945","2953","10.1039/b507462b","","x-ray","0.71073","MoKα","","0.0958","0.0841","","","0.1954","0.2009","","","","","","1.239","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008772","9.5407","0.0003","11.9325","0.0004","17.3185","0.0005","90.626","0.002","98.687","0.002","104.831","0.001","1881.53","0.1","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C35 H58 Cl2 N4 Si2 -","- C35 H58 Cl2 N4 Si2 -","- C70 H116 Cl4 N8 Si4 -","2","1","","Delawar, Mahmood; Gehrhus, Barbara; Hitchcock, Peter B.","Reactions of a stable silylene with halocarbons.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2945","2953","10.1039/b507462b","","x-ray","0.71073","MoKα","","0.0713","0.0466","","","0.1055","0.1176","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008773","14.8293","0.0003","15.1696","0.0003","19.1719","0.0003","87.796","0.001","67.561","0.001","76.029","0.001","3861.41","0.13","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C74 H115 Br2 N8 Si4 -","- C74 H115 Br2 N8 Si4 -","- C148 H230 Br4 N16 Si8 -","2","1","","Delawar, Mahmood; Gehrhus, Barbara; Hitchcock, Peter B.","Reactions of a stable silylene with halocarbons.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2945","2953","10.1039/b507462b","","x-ray","0.71073","MoKα","","0.0679","0.0435","","","0.0911","0.1008","","","","","","1.022","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008774","14.731","0.001","8.65","0.001","16.954","0.001","90","","109.91","0.01","90","","2031.2","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","1","","Glaser, Thorsten; Liratzis, Ioannis; Fröhlich, Roland","A 1,8-naphthalenediol-based unsymmetrical dinucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2892","2898","10.1039/b507579c","","","1.54178","CuKα","","0.0849","0.0484","","","0.1274","0.1449","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008775","8.612","0.001","18.755","0.001","12.243","0.001","90","","96.89","0.01","90","","1963.2","0.3","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Cu2 N2 O4 -","- C25 H18 Cu2 N2 O4 -","- C100 H72 Cu8 N8 O16 -","4","1","","Glaser, Thorsten; Liratzis, Ioannis; Fröhlich, Roland","A 1,8-naphthalenediol-based unsymmetrical dinucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2892","2898","10.1039/b507579c","","","0.71073","MoKα","","0.0548","0.0361","","","0.0813","0.0894","","","","","","1.025","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008776","4.5003","0.0007","13.713","0.002","21.761","0.004","90","","93.422","0.003","90","","1340.5","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","","Glaser, Thorsten; Liratzis, Ioannis; Fröhlich, Roland","A 1,8-naphthalenediol-based unsymmetrical dinucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2892","2898","10.1039/b507579c","","","0.71073","MoKα","","0.0772","0.0447","","","0.0947","0.1045","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008777","17.752","0.001","17.752","0.001","29.372","0.001","90","","90","","90","","9256.1","0.8","198","2","198","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C28 H32 Eu2 N15 Na O21 -","- C28 H32 Eu2 N15 Na O21 -","- C224 H256 Eu16 N120 Na8 O168 -","8","0.5","","Albrecht, Markus; Osetska, Olga; Fröhlich, Roland","2-[(8-Hydroxyquinolinyl)methylene]hydrazinecarboxamide: expanding the coordination sphere of 8-hydroxyquinoline for coordination of rare-earth metal(iii) ions","Dalton Transactions","2005","","23","3757","","10.1039/b507621h","","","0.71073","MoKα","","0.0769","0.0483","","","0.1226","0.1354","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008778","6.625","0.001","8.08","0.001","12.955","0.001","92.16","0.01","91.99","0.01","103.48","0.01","673.22","0.14","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cl N4 O3 -","- C12 H15 Cl N4 O3 -","- C24 H30 Cl2 N8 O6 -","2","1","","Albrecht, Markus; Osetska, Olga; Fröhlich, Roland","2-[(8-Hydroxyquinolinyl)methylene]hydrazinecarboxamide: expanding the coordination sphere of 8-hydroxyquinoline for coordination of rare-earth metal(iii) ions","Dalton Transactions","2005","","23","3757","","10.1039/b507621h","","","0.71073","MoKα","","0.1306","0.1014","","","0.2423","0.2543","","","","","","1.602","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008779","7.982","0.001","19.237","0.001","10.999","0.001","90","","95.21","0.01","90","","1681.9","0.3","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl3 Er N4 O3 -","- C12 H14 Cl3 Er N4 O3 -","- C48 H56 Cl12 Er4 N16 O12 -","4","1","","Albrecht, Markus; Osetska, Olga; Fröhlich, Roland","2-[(8-Hydroxyquinolinyl)methylene]hydrazinecarboxamide: expanding the coordination sphere of 8-hydroxyquinoline for coordination of rare-earth metal(iii) ions","Dalton Transactions","2005","","23","3757","","10.1039/b507621h","","","0.71073","MoKα","","0.0377","0.0343","","","0.0895","0.0919","","","","","","1.03","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008780","8.001","0.001","19.276","0.001","11.01","0.001","90","","95.35","0.01","90","","1690.6","0.3","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl3 Ho N4 O3 -","- C12 H14 Cl3 Ho N4 O3 -","- C48 H56 Cl12 Ho4 N16 O12 -","4","1","","Albrecht, Markus; Osetska, Olga; Fröhlich, Roland","2-[(8-Hydroxyquinolinyl)methylene]hydrazinecarboxamide: expanding the coordination sphere of 8-hydroxyquinoline for coordination of rare-earth metal(iii) ions","Dalton Transactions","2005","","23","3757","","10.1039/b507621h","","","0.71073","MoKα","","0.0393","0.038","","","0.1018","0.1031","","","","","","1.083","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008781","16.147","0.001","11.664","0.001","18.932","0.001","90","","106.87","0.01","90","","3412.2","0.4","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 N8 O8 Y -","- C29 H39 N8 O8 Y -","- C116 H156 N32 O32 Y4 -","4","1","","Albrecht, Markus; Osetska, Olga; Fröhlich, Roland","2-[(8-Hydroxyquinolinyl)methylene]hydrazinecarboxamide: expanding the coordination sphere of 8-hydroxyquinoline for coordination of rare-earth metal(iii) ions","Dalton Transactions","2005","","23","3757","","10.1039/b507621h","","","0.71073","MoKα","","0.0957","0.0582","","","0.1363","0.1531","","","","","","1.054","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008782","11.702","0.001","13.526","0.001","12.495","0.001","90","","108.7","0.01","90","","1873.3","0.3","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 La2 N12 O20 -","- C26 H34 La2 N12 O20 -","- C52 H68 La4 N24 O40 -","2","0.5","","Albrecht, Markus; Osetska, Olga; Fröhlich, Roland","2-[(8-Hydroxyquinolinyl)methylene]hydrazinecarboxamide: expanding the coordination sphere of 8-hydroxyquinoline for coordination of rare-earth metal(iii) ions","Dalton Transactions","2005","","23","3757","","10.1039/b507621h","","","0.71073","MoKα","","0.0493","0.0399","","","0.0985","0.1028","","","","","","1.064","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008783","10.285","0.001","11.109","0.001","13.741","0.001","68.92","0.01","68.11","0.01","81.1","0.01","1358.9","0.2","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Cl2 N16 O16 Y2 -","- C40 H60 Cl2 N16 O16 Y2 -","- C40 H60 Cl2 N16 O16 Y2 -","1","0.5","","Albrecht, Markus; Osetska, Olga; Fröhlich, Roland","2-[(8-Hydroxyquinolinyl)methylene]hydrazinecarboxamide: expanding the coordination sphere of 8-hydroxyquinoline for coordination of rare-earth metal(iii) ions","Dalton Transactions","2005","","23","3757","","10.1039/b507621h","","","0.71073","MoKα","","0.0815","0.0682","","","0.1827","0.1934","","","","","","1.042","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008784","28.9","0.015","23.14","0.011","32.715","0.016","90","","101.917","0.009","90","","21407","18","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C324 H268 Cl8 N13 O24 P12 Rh12 -","- C324 H260 Cl8 N13 O24 P12 Rh12 -","- C648 H520 Cl16 N26 O48 P24 Rh24 -","2","1","","Cotton, F. Albert; Murillo, Carlos A.; Yu, Rongmin","Deliberate synthesis of the preselected enantiomer of an enantiorigid molecule with pure rotational symmetry T.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3161","3165","10.1039/b507998e","","","0.71073","MoKα","","0.2454","0.1858","","","0.4223","0.4582","","","","","","1.467","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008785","14.503","0.003","12.9769","0.0015","15.918","0.003","90","","90","","90","","2995.8","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H31 N3 Ni P2 S2 -","- C27 H31 N3 Ni P2 S2 -","- C108 H124 N12 Ni4 P8 S8 -","4","0.5","","Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.","Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides","Dalton Transactions","2005","","23","3722","","10.1039/b508134c","","","0.71073","MoKα","","0.1722","0.0661","","","0.117","0.1542","","","","","","1","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008786","13.104","0.004","13.141","0.004","17.539","0.003","81.16","0.019","82.24","0.02","67.39","0.02","2745.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H71 Cl2 N7 Ni2 P2 S4 -","- C38 H71 Cl2 N7 Ni2 P2 S4 -","- C76 H142 Cl4 N14 Ni4 P4 S8 -","2","1","","Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.","Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides","Dalton Transactions","2005","","23","3722","","10.1039/b508134c","","","0.71073","MoKα","","0.1797","0.094","","","0.2354","0.2974","","","","","","1.031","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008787","13.5684","0.0012","9.0189","0.0005","18.6982","0.0014","90","","90","","90","","2288.1","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H30 N3 P Pd S2 -","- C16 H30 N3 P Pd S2 -","- C64 H120 N12 P4 Pd4 S8 -","4","1","","Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.","Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides","Dalton Transactions","2005","","23","3722","","10.1039/b508134c","","","0.71073","MoKα","","0.0305","0.0281","","","0.0723","0.0741","","","","","","1.061","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008788","8.7268","0.0009","9.3401","0.0012","17.114","0.002","89.676","0.009","86.225","0.009","87.75","0.01","1390.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H42 N2 P2 Pd S2 -","- C20 H42 N2 P2 Pd S2 -","- C40 H84 N4 P4 Pd2 S4 -","2","1","","Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.","Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides","Dalton Transactions","2005","","23","3722","","10.1039/b508134c","","","0.71073","MoKα","","0.0496","0.0343","","","0.0816","0.0894","","","","","","1.05","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008789","10.029","0.004","11.899","0.003","17.761","0.005","90","","103.217","0.016","90","","2063.4","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H44 N4 P2 Pd S2 -","- C38 H44 N4 P2 Pd S2 -","- C76 H88 N8 P4 Pd2 S4 -","2","1","","Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.","Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides","Dalton Transactions","2005","","23","3722","","10.1039/b508134c","","","0.71073","MoKα","","0.0346","0.031","","","0.0783","0.0812","","","","","","1.058","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008790","8.1931","0.0009","12.2373","0.0018","15.4579","0.0017","90","","97.128","0.009","90","","1537.9","0.3","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H36 N4 P2 Pt S2 -","- C26 H36 N4 P2 Pt S2 -","- C52 H72 N8 P4 Pt2 S4 -","2","1","","Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.","Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides","Dalton Transactions","2005","","23","3722","","10.1039/b508134c","","","0.71073","MoKα","","0.0379","0.0319","","","0.0785","0.0823","","","","","","1.081","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008791","9.9813","0.0015","12.1211","0.0014","16.122","0.003","90.367","0.012","104.795","0.012","104.703","0.011","1818.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 N4 P2 Pt S2 -","- C32 H48 N4 P2 Pt S2 -","- C64 H96 N8 P4 Pt2 S4 -","2","1","","Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.","Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides","Dalton Transactions","2005","","23","3722","","10.1039/b508134c","","","0.71073","MoKα","","0.0514","0.0407","","","0.0987","0.1053","","","","","","1.055","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008792","11.103","0.003","11.378","0.004","12.928","0.003","101.485","0.017","90.38","0.017","91.1","0.02","1600.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H48 N2 P4 Pt S2 -","- C22 H48 N2 P4 Pt S2 -","- C44 H96 N4 P8 Pt2 S4 -","2","1","","Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.","Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides","Dalton Transactions","2005","","23","3722","","10.1039/b508134c","","","0.71073","MoKα","","0.0466","0.0377","","","0.0986","0.1069","","","","","","1.08","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008793","19.812","0.002","6.892","0.01","11.955","0.002","90","","114.135","0.012","90","","1490","2","294","2","294","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 N8 O6 -","- C10 H14 N8 O6 -","- C40 H56 N32 O24 -","4","0.5","","García-Raso, Angel; Fiol, Juan J.; Tasada, Andrés; Albertí, Francisca M.; Molins, Elies; Basallote, Manuel G.; Máñez, María A.; Fernández-Trujillo, María J.; Sánchez, David","Ag(i) complexes with alkylidene-bis(2-aminopyrimidines) as building units for discrete metallomacrocyclic frames. A structural and solution study","Dalton Transactions","2005","","23","3763","","10.1039/b508260a","","x-ray","0.71073","MoKα","","0.104","0.0647","","","0.1788","0.2081","","","","","","1.037","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008794","4.8927","0.0007","7.4395","0.0014","12.6052","0.0015","107.169","0.014","90.492","0.011","108.333","0.014","413.51","0.12","294","2","294","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H18 N8 O6 -","- C12 H18 N8 O6 -","- C12 H18 N8 O6 -","1","0.5","","García-Raso, Angel; Fiol, Juan J.; Tasada, Andrés; Albertí, Francisca M.; Molins, Elies; Basallote, Manuel G.; Máñez, María A.; Fernández-Trujillo, María J.; Sánchez, David","Ag(i) complexes with alkylidene-bis(2-aminopyrimidines) as building units for discrete metallomacrocyclic frames. A structural and solution study","Dalton Transactions","2005","","23","3763","","10.1039/b508260a","","x-ray","0.71073","MoKα","","0.0705","0.0523","","","0.1492","0.1652","","","","","","1.053","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008795","8.4387","0.0012","17.711","0.003","18.242","0.004","90","","90","","90","","2726.4","0.8","294","2","294","2","","","","","","","synthesis as described","3","P c a b","-P 2bc 2ac","61","","","","- C13 H18 N6 -","- C13 H18 N6 -","- C104 H144 N48 -","8","1","","García-Raso, Angel; Fiol, Juan J.; Tasada, Andrés; Albertí, Francisca M.; Molins, Elies; Basallote, Manuel G.; Máñez, María A.; Fernández-Trujillo, María J.; Sánchez, David","Ag(i) complexes with alkylidene-bis(2-aminopyrimidines) as building units for discrete metallomacrocyclic frames. A structural and solution study","Dalton Transactions","2005","","23","3763","","10.1039/b508260a","","x-ray","0.71073","MoKα","","0.1363","0.0423","","","0.1103","0.1372","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008796","8.93","0.006","9.214","0.003","9.765","0.009","71.4","0.03","84.08","0.04","62.2","0.04","672.6","0.8","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C10 H12 Ag N7 O3 -","- C10 H12 Ag N7 O3 -","- C20 H24 Ag2 N14 O6 -","2","1","","García-Raso, Angel; Fiol, Juan J.; Tasada, Andrés; Albertí, Francisca M.; Molins, Elies; Basallote, Manuel G.; Máñez, María A.; Fernández-Trujillo, María J.; Sánchez, David","Ag(i) complexes with alkylidene-bis(2-aminopyrimidines) as building units for discrete metallomacrocyclic frames. A structural and solution study","Dalton Transactions","2005","","23","3763","","10.1039/b508260a","","x-ray","0.71073","MoKα","","0.0368","0.0356","","","0.098","0.0988","","","","","","1.216","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008797","7.878","0.007","9.067","0.005","13.252","0.009","73.53","0.05","84.45","0.04","70.23","0.04","854.2","1.1","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H34 Ag2 N16 O12 -","- C24 H34 Ag2 N16 O12 -","- C24 H34 Ag2 N16 O12 -","1","0.5","","García-Raso, Angel; Fiol, Juan J.; Tasada, Andrés; Albertí, Francisca M.; Molins, Elies; Basallote, Manuel G.; Máñez, María A.; Fernández-Trujillo, María J.; Sánchez, David","Ag(i) complexes with alkylidene-bis(2-aminopyrimidines) as building units for discrete metallomacrocyclic frames. A structural and solution study","Dalton Transactions","2005","","23","3763","","10.1039/b508260a","","x-ray","0.71073","MoKα","","0.0387","0.0356","","","0.097","0.0987","","","","","","1.094","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008798","9.6026","0.0003","15.4505","0.0003","13.7502","0.0004","90","","94.667","0.001","90","","2033.28","0.1","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H60 Cl2 Li2 O8 Si4 Zn2 -","- C24 H60 Cl2 Li2 O8 Si4 Zn2 -","- C48 H120 Cl4 Li4 O16 Si8 Zn4 -","2","0.5","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Zhou, Meisu","The coordination chemistry of the C1-symmetric bis(silyl)methyl ligand [CH(SiMe3){SiMe(OMe)2}]- revisited: Li/M- (M = Zn, Tl, Ce), Li4- or Ce2-methoxy-bridged alkyls.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2988","2993","10.1039/b508601a","","x-ray","0.71073","MoKα","","0.0366","0.0305","","","0.0749","0.0781","","","","","","1.026","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008799","10.0468","0.0005","10.1659","0.0004","12.8293","0.0005","95.078","0.003","91.045","0.002","103.642","0.002","1267.32","0.1","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C28 H76 Li2 O8 Si8 Tl2 -","- C28 H76 Li2 O8 Si8 Tl2 -","- C28 H76 Li2 O8 Si8 Tl2 -","1","0.5","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Zhou, Meisu","The coordination chemistry of the C1-symmetric bis(silyl)methyl ligand [CH(SiMe3){SiMe(OMe)2}]- revisited: Li/M- (M = Zn, Tl, Ce), Li4- or Ce2-methoxy-bridged alkyls.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2988","2993","10.1039/b508601a","","x-ray","0.71073","MoKα","","0.0439","0.0375","","","0.0925","0.0975","","","","","","1.056","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008800","13.2498","0.0005","9.4096","0.0004","20.7365","0.0007","90","","93.816","0.002","90","","2579.6","0.17","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H76 Li2 O8 Si8 Tl2 -","- C28 H76 Li2 O8 Si8 Tl2 -","- C56 H152 Li4 O16 Si16 Tl4 -","2","0.5","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Zhou, Meisu","The coordination chemistry of the C1-symmetric bis(silyl)methyl ligand [CH(SiMe3){SiMe(OMe)2}]- revisited: Li/M- (M = Zn, Tl, Ce), Li4- or Ce2-methoxy-bridged alkyls.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2988","2993","10.1039/b508601a","","x-ray","0.7107","MoKα","","0.0803","0.0473","","","0.0855","0.0956","","","","","","1.065","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008801","10.0199","0.0001","22.1861","0.0004","18.1958","0.0004","90","","99.023","0.001","90","","3994.92","0.12","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H60 Li4 O7 Si6 -","- C22 H60 Li4 O7 Si6 -","- C88 H240 Li16 O28 Si24 -","4","1","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Zhou, Meisu","The coordination chemistry of the C1-symmetric bis(silyl)methyl ligand [CH(SiMe3){SiMe(OMe)2}]- revisited: Li/M- (M = Zn, Tl, Ce), Li4- or Ce2-methoxy-bridged alkyls.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2988","2993","10.1039/b508601a","","x-ray","0.71073","MoKα","","0.0664","0.0572","","","0.1441","0.152","","","","","","1.098","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008802","9.6796","0.0002","12.6308","0.0003","22.7947","0.0005","74.111","0.001","80.214","0.001","72.502","0.001","2544.7","0.1","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C29 H79 Ce Li2 O9 Si8 -","- C29 H79 Ce Li2 O9 Si8 -","- C58 H158 Ce2 Li4 O18 Si16 -","2","1","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Zhou, Meisu","The coordination chemistry of the C1-symmetric bis(silyl)methyl ligand [CH(SiMe3){SiMe(OMe)2}]- revisited: Li/M- (M = Zn, Tl, Ce), Li4- or Ce2-methoxy-bridged alkyls.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2988","2993","10.1039/b508601a","","x-ray","0.7107","MoKα","","0.0691","0.0476","","","0.1038","0.1136","","","","","","1.021","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008803","10.6698","0.001","12.9987","0.0002","13.1909","0.0002","86.761","0.001","80.802","0.001","70.229","0.001","1699.5","0.16","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C46 H98 Ce2 F6 O19 S2 Si4 -","- C49 H76 Ce2 F6 O16 S2 Si4 -","- C49 H76 Ce2 F6 O16 S2 Si4 -","1","0.5","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Zhou, Meisu","The coordination chemistry of the C1-symmetric bis(silyl)methyl ligand [CH(SiMe3){SiMe(OMe)2}]- revisited: Li/M- (M = Zn, Tl, Ce), Li4- or Ce2-methoxy-bridged alkyls.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2988","2993","10.1039/b508601a","","x-ray","0.71073","MoKα","","0.0286","0.0266","","","0.0698","0.0713","","","","","","1.062","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008804","9.6","0.004","14.588","0.003","21.525","0.009","90","","90","","90","","3014.5","1.9","298","","","","","","","","","","Local laboratory","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 N2 O4 P Re S -","- C34 H28 N2 O4 P Re S -","- C136 H112 N8 O16 P4 Re4 S4 -","4","1","","Le Gal, Julien; Tisato, Francesco; Bandoli, Giuliano; Gressier, Marie; Jaud, Joël; Michaud, Sandra; Dartiguenave, Michèle; Benoist, Eric","Synthesis and structural characterization of new oxorhenium and oxotechnetium complexes with XN2S-tetradentate semi-rigid ligands (X = O, S, N)","Dalton Transactions","2005","","23","3800","","10.1039/b508661b","","","0.71073","MoKα","","0.107","0.0505","","","0.0962","0.108","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008805","9.114","0.002","18.383","0.004","17.36","0.004","90","","91.32","0.03","90","","2907.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 N3 O4 S Tc -","- C26 H39 N3 O4 S Tc -","- C104 H156 N12 O16 S4 Tc4 -","4","1","","Le Gal, Julien; Tisato, Francesco; Bandoli, Giuliano; Gressier, Marie; Jaud, Joël; Michaud, Sandra; Dartiguenave, Michèle; Benoist, Eric","Synthesis and structural characterization of new oxorhenium and oxotechnetium complexes with XN2S-tetradentate semi-rigid ligands (X = O, S, N)","Dalton Transactions","2005","","23","3800","","10.1039/b508661b","","","0.71073","MoKα","","0.09","0.0454","","","0.1064","0.1286","","","","","","0.881","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008806","14.8135","0.0016","14.8893","0.0016","16.6339","0.0018","67.8","0.002","89.081","0.002","62.783","0.002","2965.5","0.6","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H30 K5 O63 P Ti2 W11 -","- C4 K5 O63 P Ti2 W11 -","- C8 K10 O126 P2 Ti4 W22 -","2","1","","Hayashi, Kunihiko; Takahashi, Mizuto; Nomiya, Kenji","Novel Ti‒O‒Ti bonding species constructed in a metal-oxide cluster","Dalton Transactions","2005","","23","3751","","10.1039/b508738d","","","0.71073","MoKα","","0.0372","0.0324","","","0.0862","0.0885","","","","","","1.035","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008807","15.029","0.004","15.029","0.004","23.744","0.008","90","","90","","120","","4645","2","163.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H39 Cl3 Cu3 N3 -","- C33 H39 Cl3 Cu3 N3 -","- C198 H234 Cl18 Cu18 N18 -","6","0.333333","","Ohi, Hiromi; Tachi, Yoshimitsu; Kunimoto, Takashi; Itoh, Shinobu","Structure and photoluminescence property of two-dimensional coordination polymer complexes involving Cu(I)(6)X(6)(X = Cl, Br, I) hexagon prism cluster supported by a tripodal tripyridine ligand with 1,3,5-triethylbenzene spacer.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3146","3147","10.1039/b508747c","","","0.71075","MoKα","","","0.0254","","","","0.0272","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008808","15.1677","0.0009","15.1677","0.0009","24.4621","0.0018","90","","90","","120","","4873.8","0.5","163.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H39 Br3 Cu3 N3 -","- C33 H39 Br3 Cu3 N3 -","- C198 H234 Br18 Cu18 N18 -","6","0.333333","","Ohi, Hiromi; Tachi, Yoshimitsu; Kunimoto, Takashi; Itoh, Shinobu","Structure and photoluminescence property of two-dimensional coordination polymer complexes involving Cu(I)(6)X(6)(X = Cl, Br, I) hexagon prism cluster supported by a tripodal tripyridine ligand with 1,3,5-triethylbenzene spacer.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3146","3147","10.1039/b508747c","","","0.71075","MoKα","","","0.0237","","","","0.0264","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008809","15.3547","0.0017","15.3547","0.0017","25.539","0.005","90","","90","","120","","5214.6","1.3","163.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H39 Cu3 I3 N3 -","- C33 H39 Cu3 I3 N3 -","- C198 H234 Cu18 I18 N18 -","6","0.333333","","Ohi, Hiromi; Tachi, Yoshimitsu; Kunimoto, Takashi; Itoh, Shinobu","Structure and photoluminescence property of two-dimensional coordination polymer complexes involving Cu(I)(6)X(6)(X = Cl, Br, I) hexagon prism cluster supported by a tripodal tripyridine ligand with 1,3,5-triethylbenzene spacer.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3146","3147","10.1039/b508747c","","","0.71075","MoKα","","","0.0203","","","","0.023","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008810","10.027","0.004","10.254","0.003","16.081","0.006","82.509","0.014","77.487","0.019","82.478","0.017","1591.3","1","160.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 Cu F6 N3 P -","- C33 H39 Cu F6 N3 P -","- C66 H78 Cu2 F12 N6 P2 -","2","1","","Ohi, Hiromi; Tachi, Yoshimitsu; Kunimoto, Takashi; Itoh, Shinobu","Structure and photoluminescence property of two-dimensional coordination polymer complexes involving Cu(I)(6)X(6)(X = Cl, Br, I) hexagon prism cluster supported by a tripodal tripyridine ligand with 1,3,5-triethylbenzene spacer.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3146","3147","10.1039/b508747c","","","0.71075","MoKα","","","0.04","","","","0.0593","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008811","6.7711","0.0003","16.1514","0.0006","7.6578","0.0003","90","","93.331","0.003","90","","836.06","0.06","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 N O4 S4 -","- C4 H3 N O4 S4 -","- C16 H12 N4 O16 S16 -","4","1","","Alberola, Antonio; Farley, Robert D.; Humphrey, Simon M.; McManus, Gordon D.; Murphy, Damien M.; Rawson, Jeremy M.","EPR studies on the thiophenodithiazolyl radical, C4H2S3N.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3838","3845","10.1039/b508912c","","","0.71073","MoKα","","0.0575","0.0484","","","0.1246","0.1304","","","","","","1.131","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008812","15.7052","0.001","8.2312","0.0006","10.9601","0.0008","90","","90","","90","","1416.84","0.17","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C4 H2 As F6 N O2 S4 -","- C4 H2 As F5.96 N O2 S4 -","- C16 H8 As4 F23.84 N4 O8 S16 -","4","1","","Alberola, Antonio; Farley, Robert D.; Humphrey, Simon M.; McManus, Gordon D.; Murphy, Damien M.; Rawson, Jeremy M.","EPR studies on the thiophenodithiazolyl radical, C4H2S3N.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3838","3845","10.1039/b508912c","","","0.71073","MoKα","","0.0906","0.068","","","0.1744","0.19","","","","","","1.035","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008813","7.5651","0.0003","7.9392","0.0002","8.6375","0.0003","109.214","0.002","103.151","0.002","97.035","0.002","465.91","0.03","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C4 Cl4 S3 -","- C4 Cl4 S3 -","- C8 Cl8 S6 -","2","1","","Alberola, Antonio; Farley, Robert D.; Humphrey, Simon M.; McManus, Gordon D.; Murphy, Damien M.; Rawson, Jeremy M.","EPR studies on the thiophenodithiazolyl radical, C4H2S3N.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3838","3845","10.1039/b508912c","","","0.71069","MoKα","","0.029","0.0261","","","0.0749","0.0767","","","","","","1.173","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008814","12.96","0.003","22.853","0.005","15.976","0.003","90","","113.02","0.03","90","","4354.9","1.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H78 Cl4 Cu4 O2 P6 S6 -","- C88 H78 Cl4 Cu4 O2 P6 S6 -","- C176 H156 Cl8 Cu8 O4 P12 S12 -","2","0.5","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","A strategy for the build-up of transition-metal complexes containing tripodal [ArPOS2]2- and [ArPS3]2- ligands (Ar = 4-anisyl).","Dalton transactions (Cambridge, England : 2003)","2005","","24","3909","3912","10.1039/b509117a","","","0.71073","MoKα","","0.0613","0.0442","","","0.1271","0.1556","","","","","","1.134","","","","has coordinates,has disorder","189767","2020-10-21","18:00:00",""
"7008815","17.1353","0.0009","19.6186","0.001","20.0847","0.0011","95.756","0.004","111.961","0.004","113.646","0.004","5481.6","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C200 H216 Cu14 O28 P14 S14 -","- C200 H216 Cu14 O28 P14 S14 -","- C200 H216 Cu14 O28 P14 S14 -","1","0.5","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","A strategy for the build-up of transition-metal complexes containing tripodal [ArPOS2]2- and [ArPS3]2- ligands (Ar = 4-anisyl).","Dalton transactions (Cambridge, England : 2003)","2005","","24","3909","3912","10.1039/b509117a","","","0.71073","MoKα","","0.1149","0.0799","","","0.2222","0.2526","","","","","","1.012","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008816","10.76","0.002","17.02","0.003","11.3","0.002","90","","109.91","0.03","90","","1945.7","0.7","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Fe2 O6 P2 S6 -","- C30 H46 Fe2 O6 P2 S6 -","- C60 H92 Fe4 O12 P4 S12 -","2","0.5","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","A strategy for the build-up of transition-metal complexes containing tripodal [ArPOS2]2- and [ArPS3]2- ligands (Ar = 4-anisyl).","Dalton transactions (Cambridge, England : 2003)","2005","","24","3909","3912","10.1039/b509117a","","","0.71073","MoKα","","0.1527","0.0713","","","0.175","0.234","","","","","","1.011","","","","has coordinates,has disorder","189767","2020-10-21","18:00:00",""
"7008817","26.921","0.005","13.001","0.003","18.206","0.004","90","","90","","90","","6372","2","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H68 Ni4 O16 P4 S8 -","- C44 H68 Ni4 O16 P4 S8 -","- C176 H272 Ni16 O64 P16 S32 -","4","1","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","A strategy for the build-up of transition-metal complexes containing tripodal [ArPOS2]2- and [ArPS3]2- ligands (Ar = 4-anisyl).","Dalton transactions (Cambridge, England : 2003)","2005","","24","3909","3912","10.1039/b509117a","","","0.71073","MoKα","","0.1927","0.1262","","","0.2775","0.3167","","","","","","1.065","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008818","10.661","0.0011","10.661","0.0011","23.5","0.002","90","","90","","90","","2670.9","0.5","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Cadmium (ii) bis-nitrate-bis-pyrazine","Cadmium (II) bis-nitrate-bis-pyrazine","","- C8 H8 Cd N6 O6 -","- C8 H8 Cd N6 O6 -","- C64 H64 Cd8 N48 O48 -","8","0.5","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","Structural diversity in two-dimensional coordination polymers constructed from simple building-blocks; a rare example of coordination polymer polymorphs structurally characterised from multiple crystals.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3852","3861","10.1039/b509294a","","","0.71073","MoKα","","0.0317","0.029","","","0.0707","0.0724","","","","","","1.105","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008819","7.617","0.0006","18.5674","0.0015","8.7007","0.0007","90","","99.006","0.001","90","","1215.35","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cadmium (ii) (pyrazine)3/2 nitrate monohydrate","Cadmium (II) (pyrazine)3/2 nitrate monohydrate","","- C6 H8 Cd N5 O7 -","- C6 H8 Cd N5 O7 -","- C24 H32 Cd4 N20 O28 -","4","1","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","Structural diversity in two-dimensional coordination polymers constructed from simple building-blocks; a rare example of coordination polymer polymorphs structurally characterised from multiple crystals.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3852","3861","10.1039/b509294a","","","0.71073","MoKα","","0.0376","0.0256","","","0.0505","0.0543","","","","","","1.026","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008820","7.1541","0.0012","9.356","0.002","14.2864","0.0018","90","","118.209","0.006","90","","842.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cadmium (ii) bis-nitrate-bis-pyrazine","Cadmium (II) bis-nitrate-bis-pyrazine","","- C4 H4 Cd N4 O6 -","- C4 H4 Cd N4 O6 -","- C16 H16 Cd4 N16 O24 -","4","1","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","Structural diversity in two-dimensional coordination polymers constructed from simple building-blocks; a rare example of coordination polymer polymorphs structurally characterised from multiple crystals.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3852","3861","10.1039/b509294a","","","0.71073","MoKα","","0.0535","0.0439","","","0.1143","0.1233","","","","","","1.018","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008821","12.6264","0.0012","9.3602","0.0009","14.3011","0.0014","90","","90","","90","","1690.2","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Cadmium (ii) bis-nitrate-bis-pyrazine","Cadmium (II) bis-nitrate-bis-pyrazine","","- C4 H4 Cd N4 O6 -","- C4 H4 Cd N4 O6 -","- C32 H32 Cd8 N32 O48 -","8","1","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","Structural diversity in two-dimensional coordination polymers constructed from simple building-blocks; a rare example of coordination polymer polymorphs structurally characterised from multiple crystals.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3852","3861","10.1039/b509294a","","","0.71073","MoKα","","0.0623","0.0392","","","0.0915","0.1082","","","","","","1.036","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008822","6.9943","0.0008","15.806","0.002","10.735","0.001","90","","90","","90","","1186.8","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cadmium (ii) bis-nitrate-bis-pyrimidine","Cadmium (II) bis-nitrate-bis-pyrimidine","","- C8 H8 Cd N6 O6 -","- C8 H8 Cd N6 O6 -","- C32 H32 Cd4 N24 O24 -","4","1","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","Structural diversity in two-dimensional coordination polymers constructed from simple building-blocks; a rare example of coordination polymer polymorphs structurally characterised from multiple crystals.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3852","3861","10.1039/b509294a","","","0.71073","MoKα","","0.0216","0.0192","","","0.0477","0.0487","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008823","12.6626","0.0006","7.468","0.0003","12.559","0.0004","90","","111.512","0.002","90","","1104.9","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cadmium(ii)-bis-nitrate(pyrimidine)(acetonitrile)","Cadmium(II)-bis-nitrate(pyrimidine)(acetonitrile)","","- C6 H7 Cd N5 O6 -","- C6 H7 Cd N5 O6 -","- C24 H28 Cd4 N20 O24 -","4","1","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","Structural diversity in two-dimensional coordination polymers constructed from simple building-blocks; a rare example of coordination polymer polymorphs structurally characterised from multiple crystals.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3852","3861","10.1039/b509294a","","","0.71073","MoKα","","0.0512","0.0403","","","0.0938","0.0999","","","","","","1.083","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008824","11.429","0.011","8.715","0.007","55.97","0.05","90","","90","","90","","5575","9","191","2","191","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H27 N9 O -","- C33 H27 N9 O -","- C264 H216 N72 O8 -","8","1","","Zibaseresht, Ramin; Hartshorn, Richard M.","Coordination chemistry of a terpyridine-tris(pyrazolyl) ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3898","3908","10.1039/b509324d","","","0.71073","MoKα","","0.0994","0.0643","","","0.1336","0.1463","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008825","8.5329","0.0016","22.108","0.005","17.393","0.004","90","","96.534","0.003","90","","3259.8","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Ag2 B2 F8 N18 O2 -","- C66 H54 Ag2 B2 F8 N18 O2 -","- C132 H108 Ag4 B4 F16 N36 O4 -","2","0.5","","Zibaseresht, Ramin; Hartshorn, Richard M.","Coordination chemistry of a terpyridine-tris(pyrazolyl) ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3898","3908","10.1039/b509324d","","","0.71073","MoKα","","0.1633","0.0503","","","0.0835","0.1095","","","","","","0.955","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7008826","8.8307","0.0007","11.8013","0.0009","17.3963","0.0013","88.358","0.001","79.676","0.001","83.259","0.001","1771.2","0.2","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H30 Cu N12 O7 -","- C35 H30 Cu N12 O7 -","- C70 H60 Cu2 N24 O14 -","2","1","","Zibaseresht, Ramin; Hartshorn, Richard M.","Coordination chemistry of a terpyridine-tris(pyrazolyl) ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3898","3908","10.1039/b509324d","","","0.71073","MoKα","","0.0416","0.0353","","","0.0995","0.1055","","","","","","1.079","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008827","8.3507","0.0015","11.1461","0.0015","18.124","0.003","86.826","0.003","82.396","0.002","85.48","0.002","1665.2","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H30 Cl2 N10 O Zn -","- C35 H30 Cl2 N10 O Zn -","- C70 H60 Cl4 N20 O2 Zn2 -","2","1","","Zibaseresht, Ramin; Hartshorn, Richard M.","Coordination chemistry of a terpyridine-tris(pyrazolyl) ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3898","3908","10.1039/b509324d","","","0.71073","MoKα","","0.0509","0.036","","","0.0869","0.0957","","","","","","1.019","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008828","21.66","0.0009","8.865","0.0004","16.8908","0.0007","90","","90","","90","","3243.3","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H30 Br2 N2 P2 Se -","- C36 H30 Br2 N2 P2 Se -","- C144 H120 Br8 N8 P8 Se4 -","4","1","","Clegg, William; Dale, Sophie H.; Drennan, Dennis; Kelly, Paul F.","The use of the bromosulfimide Ph2S=NBr as nitrogen source in reactions with selenium-based systems.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3140","3142","10.1039/b509382a","","","0.71073","MoKα","","0.0498","0.0326","","","0.0578","0.0626","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008829","13.59","0.005","7.324","0.005","16.451","0.005","90","","94.622","0.005","90","","1632.1","1.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 B Cl2 N2 -","- C14 H25 B Cl2 N2 -","- C56 H100 B4 Cl8 N8 -","4","1","","Hill, Nicholas J.; Findlater, Michael; Cowley, Alan H.","Synthetic and structural chemistry of amidinate-substituted boron halides.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3229","3234","10.1039/b509392a","","","0.71069","MoKα","","0.1284","0.0484","","","0.1045","0.1309","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008830","15.329","0.005","10.887","0.005","13.019","0.005","90","","116.223","0.005","90","","1949.1","1.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H23 B Br2 N2 Si2 -","- C13 H23 B Br2 N2 Si2 -","- C52 H92 B4 Br8 N8 Si8 -","4","0.5","","Hill, Nicholas J.; Findlater, Michael; Cowley, Alan H.","Synthetic and structural chemistry of amidinate-substituted boron halides.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3229","3234","10.1039/b509392a","","","0.71069","MoKα","","0.0421","0.0292","","","0.0649","0.0694","","","","","","1.098","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008831","13.338","0.005","18.927","0.005","15.336","0.005","90","","92.677","0.005","90","","3867","2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 B Cl2 N2 -","- C40 H60 B Cl2 N2 -","- C160 H240 B4 Cl8 N8 -","4","1","","Hill, Nicholas J.; Findlater, Michael; Cowley, Alan H.","Synthetic and structural chemistry of amidinate-substituted boron halides.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3229","3234","10.1039/b509392a","","","0.71069","MoKα","","0.1775","0.0604","","","0.1287","0.1712","","","","","","0.916","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008832","15.026","0.005","10.799","0.005","12.711","0.005","90","","114.477","0.005","90","","1877.2","1.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H23 B Cl2 N2 Si2 -","- C13 H23 B Cl2 N2 Si2 -","- C52 H92 B4 Cl8 N8 Si8 -","4","0.5","","Hill, Nicholas J.; Findlater, Michael; Cowley, Alan H.","Synthetic and structural chemistry of amidinate-substituted boron halides.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3229","3234","10.1039/b509392a","","","0.71069","MoKα","","0.1621","0.0544","","","0.1181","0.1546","","","","","","0.929","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008833","13.953","0.005","10.716","0.005","15.723","0.005","90","","103.837","0.005","90","","2282.7","1.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 B Br2 Fe N2 -","- C23 H31 B Br2 Fe N2 -","- C92 H124 B4 Br8 Fe4 N8 -","4","1","","Hill, Nicholas J.; Findlater, Michael; Cowley, Alan H.","Synthetic and structural chemistry of amidinate-substituted boron halides.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3229","3234","10.1039/b509392a","","","0.71069","MoKα","","0.0927","0.0432","","","0.0742","0.0855","","","","","","1","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008834","11.484","0.011","11.494","0.009","15.965","0.012","83.96","0.04","75.16","0.04","89.92","0.05","2025","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 B2 N4 -","- C24 H24 B2 N4 -","- C96 H96 B8 N16 -","4","2","","Baber, R. Angharad; Charmant, Jonathan P. H.; Cook, Alistair J. R.; Farthing, Natalie E.; Haddow, Mairi F.; Norman, Nicholas C.; Orpen, A. Guy; Russell, Christopher A.; Slattery, John M.","Primary amido substituted diborane4 compounds and imidodiborate4 anions.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3137","3139","10.1039/b509653g","","","1.54178","CuKα","","0.0689","0.0421","","","0.0987","0.113","","","","","","0.975","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008835","19.74","0.004","8.8681","0.0018","16.55","0.003","90","","90","","90","","2897.2","1","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C32 H40 B2 N4 -","- C32 H40 B2 N4 -","- C128 H160 B8 N16 -","4","0.5","","Baber, R. Angharad; Charmant, Jonathan P. H.; Cook, Alistair J. R.; Farthing, Natalie E.; Haddow, Mairi F.; Norman, Nicholas C.; Orpen, A. Guy; Russell, Christopher A.; Slattery, John M.","Primary amido substituted diborane4 compounds and imidodiborate4 anions.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3137","3139","10.1039/b509653g","","","0.71073","MoKα","","0.079","0.0545","","","0.1107","0.1221","","","","","","1.059","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008836","17.9789","0.0008","13.8833","0.0006","19.6293","0.0009","90","","90","","90","","4899.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H68 B2 Li4 N4 O6 -","- C48 H68 B2 Li4 N4 O6 -","- C192 H272 B8 Li16 N16 O24 -","4","0.5","","Baber, R. Angharad; Charmant, Jonathan P. H.; Cook, Alistair J. R.; Farthing, Natalie E.; Haddow, Mairi F.; Norman, Nicholas C.; Orpen, A. Guy; Russell, Christopher A.; Slattery, John M.","Primary amido substituted diborane4 compounds and imidodiborate4 anions.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3137","3139","10.1039/b509653g","","","0.71073","MoKα","","0.0976","0.0521","","","0.1184","0.1411","","","","","","0.983","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008837","16.96","0.0009","15.047","0.0008","18.4848","0.001","90","","90","","90","","4717.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H68 B2 Li4 N4 O4 -","- C48 H68 B2 Li4 N4 O4 -","- C192 H272 B8 Li16 N16 O16 -","4","0.5","","Baber, R. Angharad; Charmant, Jonathan P. H.; Cook, Alistair J. R.; Farthing, Natalie E.; Haddow, Mairi F.; Norman, Nicholas C.; Orpen, A. Guy; Russell, Christopher A.; Slattery, John M.","Primary amido substituted diborane4 compounds and imidodiborate4 anions.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3137","3139","10.1039/b509653g","","","0.71073","MoKα","","0.09","0.0514","","","0.1273","0.147","","","","","","1.008","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008838","13.7992","0.0003","7.7167","0.0002","19.6891","0.0004","90","","93.4569","0.0011","90","","2092.76","0.08","90","0.2","90","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H21 Cl6 Hg3 N3 S3 -","- C6 H21 Cl6 Hg3 N3 S3 -","- C24 H84 Cl24 Hg12 N12 S12 -","4","1","","Bharara, Mohan S.; Bui, Thanhhoa H.; Parkin, Sean; Atwood, David A.","Mercurophilic interaction in novel polynuclear Hg(II)-2-aminoethanethiolates.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3874","3880","10.1039/b509699e","","","0.71073","MoKα","","0.0404","0.0272","","","0.0508","0.0542","","","","","","1.044","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008839","21.1255","0.0001","7.9607","0.0002","22.6473","0.0003","90","","90","","90","","3808.68","0.11","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H22 Cl3 Hg3 N3 O2 S3 -","- C6 H18 Cl3 Hg3 N3 O2 S3 -","- C48 H144 Cl24 Hg24 N24 O16 S24 -","8","1","","Bharara, Mohan S.; Bui, Thanhhoa H.; Parkin, Sean; Atwood, David A.","Mercurophilic interaction in novel polynuclear Hg(II)-2-aminoethanethiolates.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3874","3880","10.1039/b509699e","","","0.71073","MoKα","","0.0359","0.0247","","","0.0542","0.0573","","","","","","1.049","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008840","12.193","0.014","12.369","0.014","15.176","0.016","90","","99.035","0.01","90","","2260","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Br Cl N O P Pd -","- C25 H18 Br Cl N O P Pd -","- C100 H72 Br4 Cl4 N4 O4 P4 Pd4 -","4","1","","Ní Dhubhghaill, Orla M; Lennon, Joanne; Drew, Michael G. B.","Palladium(II) and platinum(II) complexes with tridentate iminophosphine ligands; synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3213","3220","10.1039/b509834c","","","0.71073","MoKα","","0.0878","0.0718","","0.1748","0.1658","","","","1.117","1.157","1.157","","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008841","16.035","0.017","15.835","0.017","16.354","0.017","90","","107.699","0.01","90","","3956","7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H33 Br Cl N O5 P2 Pd -","- C43 H33 Br Cl N O5 P2 Pd -","- C172 H132 Br4 Cl4 N4 O20 P8 Pd4 -","4","1","","Ní Dhubhghaill, Orla M; Lennon, Joanne; Drew, Michael G. B.","Palladium(II) and platinum(II) complexes with tridentate iminophosphine ligands; synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3213","3220","10.1039/b509834c","","","0.71073","MoKα","","0.1344","0.07","","","0.197","0.2448","","","","","","0.856","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008842","12.35","0.014","12.138","0.014","15.55","0.017","90","","97.7","0.01","90","","2310","5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cl N O2 P Pt -","- C26 H21 Cl N O2 P Pt -","- C104 H84 Cl4 N4 O8 P4 Pt4 -","4","1","","Ní Dhubhghaill, Orla M; Lennon, Joanne; Drew, Michael G. B.","Palladium(II) and platinum(II) complexes with tridentate iminophosphine ligands; synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3213","3220","10.1039/b509834c","","","0.71073","MoKα","","0.1418","0.0706","","","0.1735","0.2087","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008843","10.446","0.011","16.389","0.017","16.507","0.017","90","","100.238","0.01","90","","2781","5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cl2 I N O2 P Pt -","- C27 H23 Cl2 I N O2 P Pt -","- C108 H92 Cl8 I4 N4 O8 P4 Pt4 -","4","1","","Ní Dhubhghaill, Orla M; Lennon, Joanne; Drew, Michael G. B.","Palladium(II) and platinum(II) complexes with tridentate iminophosphine ligands; synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3213","3220","10.1039/b509834c","","","0.71073","MoKα","","0.1019","0.0725","","0.1758","0.1566","","","","1.128","1.148","1.148","","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008844","12.454","0.015","20.25","0.02","17","0.018","90","","99.09","0.01","90","","4233","8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 Cl2 N O5 P2 Pd -","- C46 H39 Cl2 N O5 P2 Pd -","- C184 H156 Cl8 N4 O20 P8 Pd4 -","4","1","","Ní Dhubhghaill, Orla M; Lennon, Joanne; Drew, Michael G. B.","Palladium(II) and platinum(II) complexes with tridentate iminophosphine ligands; synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3213","3220","10.1039/b509834c","","","0.71073","MoKα","","0.172","0.0723","","","0.1944","0.24","","","","","","0.952","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008845","12.41","0.014","20.28","0.02","16.972","0.017","90","","98.96","0.01","90","","4219","8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 Cl2 N O5 P2 Pt -","- C46 H39 Cl2 N O5 P2 Pt -","- C184 H156 Cl8 N4 O20 P8 Pt4 -","4","1","","Ní Dhubhghaill, Orla M; Lennon, Joanne; Drew, Michael G. B.","Palladium(II) and platinum(II) complexes with tridentate iminophosphine ligands; synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3213","3220","10.1039/b509834c","","","0.71073","MoKα","","0.3498","0.1197","","","0.2512","0.3193","","","","","","0.969","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008846","7.1912","0.0003","13.9627","0.0006","14.1582","0.0006","67.723","0.002","79.058","0.002","79.926","0.003","1283.26","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cu2 N4 O15 -","- C24 H16 Cu2 N4 O15 -","- C48 H32 Cu4 N8 O30 -","2","1","","Chang, Fei; Wang, Zhe-Ming; Sun, Hao-Ling; Gao, Song; Wen, Ge-Hui; Zhang, Xi-Xiang","{[Cu2(bpdado)2(H2O)2].H2O}n: a 1D nanotubular coordination polymer with wall made of edge-sharing hexagons, where bpdado = 2,2'-bipyridine-3,3'-dicarboxylate-1,1'-dioxide.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2976","2978","10.1039/b509883a","","","0.71073","MoKα","","0.0975","0.0479","","","0.1","0.1155","","","","","","0.989","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008847","11.461","0.001","15.5053","0.0014","16.3395","0.0015","63.26","0.002","82.398","0.002","75.381","0.002","2508.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H65 Cu5 N6 O18 P3 -","- C34 H57 Cu5 N6 O18 P3 -","- C68 H114 Cu10 N12 O36 P6 -","2","1","","Chandrasekhar, Vadapalli; Nagarajan, Loganathan; Gopal, Kandasamy; Baskar, Viswanathan; Kögerler, Paul","A new structural form for a decanuclear copper(II) assembly.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3143","3145","10.1039/b510145j","","","0.71073","MoKα","","0.0804","0.0576","","","0.1531","0.1708","","","","","","1.042","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008848","13.442","0.005","14.16","0.005","17.551","0.005","90","","91.929","0.005","90","","3339","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H15 B F20 Sn -","- C34 H15 B F20 Sn -","- C136 H60 B4 F80 Sn4 -","4","1","","Jones, Jamie N.; Moore, Jennifer A.; Cowley, Alan H.; Macdonald, Charles L. B.","Group 14 triple-decker cations.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3846","3851","10.1039/b510337a","","","0.71069","MoKα","","0.0429","0.0298","","","0.0562","0.0602","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008849","11.642","0.005","11.749","0.005","13.392","0.005","64.003","0.005","77.837","0.005","85.223","0.005","1609.4","1.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H15 B F20 Pb -","- C34 H15 B F20 Pb -","- C68 H30 B2 F40 Pb2 -","2","1","","Jones, Jamie N.; Moore, Jennifer A.; Cowley, Alan H.; Macdonald, Charles L. B.","Group 14 triple-decker cations.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3846","3851","10.1039/b510337a","","","0.71069","MoKα","","0.0392","0.035","","","0.0753","0.0778","","","","","","1.048","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7008850","22.138","0.005","14.955","0.005","17.097","0.005","90","","114.259","0.005","90","","5161","3","123","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H45 B F20 Sn2 -","- C54 H45 B F20 Sn2 -","- C216 H180 B4 F80 Sn8 -","4","0.5","","Jones, Jamie N.; Moore, Jennifer A.; Cowley, Alan H.; Macdonald, Charles L. B.","Group 14 triple-decker cations.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3846","3851","10.1039/b510337a","","","0.71069","MoKα","","0.0575","0.0424","","","0.0948","0.0987","","","","","","1.163","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008851","22.545","0.005","14.773","0.005","17.087","0.005","90","","114.911","0.005","90","","5161","3","123","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H45 B F20 Pb2 -","- C54 H45 B F20 Pb2 -","- C216 H180 B4 F80 Pb8 -","4","0.5","","Jones, Jamie N.; Moore, Jennifer A.; Cowley, Alan H.; Macdonald, Charles L. B.","Group 14 triple-decker cations.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3846","3851","10.1039/b510337a","","","0.71069","MoKα","","0.0187","0.0173","","","0.0437","0.0444","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008852","7.0076","0.0005","11.0802","0.0008","16.0917","0.0012","91.725","0.001","97.82","0.001","90.362","0.001","1237.2","0.16","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H30 Cu N2 Na2 O18 P2 -","- C10 H30 Cu N2 Na2 O18 P2 -","- C20 H60 Cu2 N4 Na4 O36 P4 -","2","1","","Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.","Polynuclear complexes with bridging pyrophosphate ligands: synthesis and characterisation of {[(bipy)Cu(H2O)(µ-P2O7)Na2(H2O)6]·4H2O}, {[(bipy)Zn-(H2O)(µ-P2O7)Zn(bipy)]2·14H2O} and {[(bipy)(VO)2]2(µ-P2O7)]·5H2O}","Dalton Transactions","2005","","23","3745","","10.1039/b510752k","","","0.71073","MoKα","","0.0489","0.0386","","","0.0918","0.0971","","","","","","1.003","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008853","10.038","0.0011","21.299","0.002","13.6812","0.0015","90","","93.068","0.002","90","","2920.8","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 N8 O30 P4 Zn4 -","- C40 H64 N8 O30 P4 Zn4 -","- C80 H128 N16 O60 P8 Zn8 -","2","0.5","","Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.","Polynuclear complexes with bridging pyrophosphate ligands: synthesis and characterisation of {[(bipy)Cu(H2O)(µ-P2O7)Na2(H2O)6]·4H2O}, {[(bipy)Zn-(H2O)(µ-P2O7)Zn(bipy)]2·14H2O} and {[(bipy)(VO)2]2(µ-P2O7)]·5H2O}","Dalton Transactions","2005","","23","3745","","10.1039/b510752k","","","0.71073","MoKα","","0.0686","0.038","","","0.079","0.0874","","","","","","0.918","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008854","10.4958","0.0015","15.296","0.002","19.225","0.003","104.723","0.002","92.725","0.002","98.389","0.002","2941.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H130 N22 O32 Zn2 -","- C108 H130 N22 O32 Zn2 -","- C108 H130 N22 O32 Zn2 -","1","0.5","","Yong Lee, Jun; Jin Hong, Sung; Kim, Cheal; Kim, Youngmee","Construction of an interpenetrated 3-D network by [2 + 2] cycloaddition of Zn(ClO4)2 and 1,2-trans-(4-pyridyl)ethene: counter anion effects","Dalton Transactions","2005","","23","3716","","10.1039/b511520e","","","0.71073","MoKα","","0.0912","0.0596","","","0.1636","0.1772","","","","","","0.945","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008855","12.602","0.003","15.129","0.003","18.549","0.004","90","","96.599","0.004","90","","3513","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Cl2 N6 O9 Zn -","- C36 H32 Cl2 N6 O9 Zn -","- C144 H128 Cl8 N24 O36 Zn4 -","4","0.5","","Yong Lee, Jun; Jin Hong, Sung; Kim, Cheal; Kim, Youngmee","Construction of an interpenetrated 3-D network by [2 + 2] cycloaddition of Zn(ClO4)2 and 1,2-trans-(4-pyridyl)ethene: counter anion effects","Dalton Transactions","2005","","23","3716","","10.1039/b511520e","","","0.71073","MoKα","","0.0514","0.0425","","","0.1203","0.1232","","","","","","1.061","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008856","25.424","0.003","9.7274","0.0013","7.6253","0.001","90","","95.731","0.002","90","","1876.4","0.4","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H22 N2 O10 S Zn -","- C12 H22 N2 O10 S Zn -","- C48 H88 N8 O40 S4 Zn4 -","4","1","","Yong Lee, Jun; Jin Hong, Sung; Kim, Cheal; Kim, Youngmee","Construction of an interpenetrated 3-D network by [2 + 2] cycloaddition of Zn(ClO4)2 and 1,2-trans-(4-pyridyl)ethene: counter anion effects","Dalton Transactions","2005","","23","3716","","10.1039/b511520e","","","0.71073","MoKα","","0.0479","0.0417","","","0.094","0.0958","","","","","","0.965","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008857","13.976","0.007","13.976","0.007","8.139","0.009","90","","90","","90","","1590","2","213","2","213","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","Rh2(hpp)4Br","","","- C28 H48 Br N12 Rh2 -","- C28 H52 Br N12 Rh2 -","- C56 H104 Br2 N24 Rh4 -","2","0.125","","Berry, John F.; Cotton, F. Albert; Huang, Penglin; Murillo, Carlos A.; Wang, Xiaoping","A hardwon dirhodium paddlewheel with guanidinate type (hpp) bridging ligands","Dalton Transactions","2005","","23","3713","","10.1039/b513406d","","","0.71073","MoKα","","0.0478","0.037","","","0.0995","0.1094","","","","","","1.113","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008858","11.272","0.003","11.4","0.003","15.856","0.004","80.768","0.005","78.128","0.005","87.688","0.005","1968","0.9","213","2","213","2","","","","","","","","5","P -1","-P 1","2","[Rh2(hpp)(OAc)3{(OAc)(H2hpp)}2], H2O","","","- C31 H57 N9 O11 Rh2 -","- C31 H57 N9 O11 Rh2 -","- C62 H114 N18 O22 Rh4 -","2","1","","Berry, John F.; Cotton, F. Albert; Huang, Penglin; Murillo, Carlos A.; Wang, Xiaoping","A hardwon dirhodium paddlewheel with guanidinate type (hpp) bridging ligands","Dalton Transactions","2005","","23","3713","","10.1039/b513406d","","","0.71073","MoKα","","0.0647","0.0409","","","0.0936","0.1055","","","","","","1.034","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008859","17.368","0.008","14.227","0.006","20.933","0.009","90","","107.792","0.007","90","","4925","4","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Rh2(OAc)4[(OAc)(H2hpp)]2, 3CH2Cl2","","","- C29 H52 Cl6 N6 O12 Rh2 -","- C29 H52 Cl6 N6 O12 Rh2 -","- C116 H208 Cl24 N24 O48 Rh8 -","4","0.5","","Berry, John F.; Cotton, F. Albert; Huang, Penglin; Murillo, Carlos A.; Wang, Xiaoping","A hardwon dirhodium paddlewheel with guanidinate type (hpp) bridging ligands","Dalton Transactions","2005","","23","3713","","10.1039/b513406d","","","0.71073","MoKα","","0.0807","0.0669","","","0.1901","0.2021","","","","","","1.079","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008860","20.952","0.003","13.2172","0.0019","14.875","0.002","90","","108.844","0.002","90","","3898.5","1","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Rh2(hpp)(OAc)3(Hhpp)2, 2CH2Cl2","","","- C29 H51 Cl4 N9 O6 Rh2 -","- C29 H51 Cl4 N9 O6 Rh2 -","- C116 H204 Cl16 N36 O24 Rh8 -","4","0.5","","Berry, John F.; Cotton, F. Albert; Huang, Penglin; Murillo, Carlos A.; Wang, Xiaoping","A hardwon dirhodium paddlewheel with guanidinate type (hpp) bridging ligands","Dalton Transactions","2005","","23","3713","","10.1039/b513406d","","","0.71073","MoKα","","0.0353","0.0281","","","0.0692","0.0747","","","","","","1.065","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008861","71.172","0.005","12.8866","0.0009","23.3365","0.0016","90","","94.489","0.001","90","","21338","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 5, Yb - tripod diamide","","","- C87 H150 N9 O23 Yb -","- C85 H142 N9 O21 Yb -","- C680 H1136 N72 O168 Yb8 -","8","1","","Matloka, Kornelia; Gelis, Artem; Regalbuto, Monica; Vandegrift, George; Scott, Michael J.","Highly efficient binding of trivalent f-elements from acidic media with a C3-symmetric tripodal ligand containing diglycolamide arms","Dalton Transactions","2005","","23","3719","","10.1039/b513745d","","","0.71073","MoKα","","0.0659","0.048","","","0.1404","0.1471","","","","","","1.066","","","","has coordinates","209504","2020-10-21","18:00:00",""
"7008862","19.075","0.002","13.2833","0.0014","24.916","0.003","90","","110.643","0.002","90","","5907.9","1.1","173","2","273","2","","","","","","","","5","P 1 c 1","P -2yc","7","Compound 6, Ce - tripod diamide","","","- C93 H168 Ce2 N12 O35 -","- C90 H142 Ce2 N12 O32 -","- C180 H284 Ce4 N24 O64 -","2","1","","Matloka, Kornelia; Gelis, Artem; Regalbuto, Monica; Vandegrift, George; Scott, Michael J.","Highly efficient binding of trivalent f-elements from acidic media with a C3-symmetric tripodal ligand containing diglycolamide arms","Dalton Transactions","2005","","23","3719","","10.1039/b513745d","","","0.71073","MoKα","","0.1424","0.077","","","0.1666","0.1889","","","","","","0.929","","","","has coordinates","209504","2020-10-21","18:00:00",""
"7008863","16.9828","0.0007","16.9828","0.0007","24.3051","0.0015","90","","90","","90","","7010","0.6","273","2","273","2","","","","","","","","5","P 42/n :2","-P 4bc","86","Compound 7, Yb - tris diamide","","","- C48 H96 N9 O18 Yb -","- C48 H96 N9 O18.04 Yb -","- C192 H384 N36 O72.16 Yb4 -","4","0.5","","Matloka, Kornelia; Gelis, Artem; Regalbuto, Monica; Vandegrift, George; Scott, Michael J.","Highly efficient binding of trivalent f-elements from acidic media with a C3-symmetric tripodal ligand containing diglycolamide arms","Dalton Transactions","2005","","23","3719","","10.1039/b513745d","","","0.71073","MoKα","","0.1076","0.0706","","","0.1737","0.1993","","","","","","1.111","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7050000","9.121","0.0008","11.469","0.001","13.561","0.0012","90","","104.623","0.002","90","","1372.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N8 Ni2 O -","- C8 H9 N8 Ni2 O -","- C32 H36 N32 Ni8 O4 -","4","1","","Colacio, Enrique; Lloret, Francesc; Navarrete, Miguel; Romerosa, Antonio; Stoeckli-Evans, Helen; Suarez-Varela, José","2D and 3D coordination polymers based on 2,2′-bipyrimidine and cyanide bridging ligands incorporating coordinated and guest ammonia molecules. Synthesis, crystal structures, magnetic properties and thermal analysis of {[Ni(CN)4]2[(Ni(NH3)2)2(bpym)]·2H2O}n and {[Cu2(CN)2(bpym)]·NH3}n","New Journal of Chemistry","2005","29","9","1189","","10.1039/b507136d","","","0.71069","MoKα","","0.0559","0.0363","","","0.0731","0.0767","","","","","","0.877","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050001","5.8736","0.0012","17.266","0.003","12.983","0.003","90","","93.4","0.02","90","","1314.3","0.5","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Cu2 N7 -","- C10 H6 Cu2 N7 -","- C40 H24 Cu8 N28 -","4","0.5","","Colacio, Enrique; Lloret, Francesc; Navarrete, Miguel; Romerosa, Antonio; Stoeckli-Evans, Helen; Suarez-Varela, José","2D and 3D coordination polymers based on 2,2′-bipyrimidine and cyanide bridging ligands incorporating coordinated and guest ammonia molecules. Synthesis, crystal structures, magnetic properties and thermal analysis of {[Ni(CN)4]2[(Ni(NH3)2)2(bpym)]·2H2O}n and {[Cu2(CN)2(bpym)]·NH3}n","New Journal of Chemistry","2005","29","9","1189","","10.1039/b507136d","","","0.71073","MoKα","","0.1331","0.0743","","","0.1702","0.1897","","","","","","0.827","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050002","8.406","0.0003","10.5093","0.0003","11.5318","0.0005","64.758","0.002","86.923","0.002","72.444","0.002","875.22","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","EDO-EDT-TTF-Py","","","- C15 H11 N O2 S6 -","- C15 H11 N O2 S6 -","- C30 H22 N2 O4 S12 -","2","1","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Cador, Olivier; Yoshida, Yukihiro; Saito, Gunzi","Paramagnetic transition metal complexes with a redox-active ligand: M(hfac)2(EDO-EDT-TTF-py)n; [M = CuII, n= 1, 2; M = MnII, n= 2]","New Journal of Chemistry","2005","29","9","1135","","10.1039/b507163a","","","0.71073","MoKα","","0.0715","0.0502","","","0.1236","0.1381","","","","","","1.044","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050003","7.1085","0.0004","11.121","0.0007","16.3628","0.0011","91.682","0.002","91.014","0.003","93.547","0.002","1290.26","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Cu(hfac)2(EDO-EDT-TTF-Py)2","","","- C40 H24 Cu F12 N2 O8 S12 -","- C40 H24 Cu F12 N2 O8 S12 -","- C40 H24 Cu F12 N2 O8 S12 -","1","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Cador, Olivier; Yoshida, Yukihiro; Saito, Gunzi","Paramagnetic transition metal complexes with a redox-active ligand: M(hfac)2(EDO-EDT-TTF-py)n; [M = CuII, n= 1, 2; M = MnII, n= 2]","New Journal of Chemistry","2005","29","9","1135","","10.1039/b507163a","","","0.71073","MoKα","","0.1305","0.0817","","","0.2219","0.2617","","","","","","1.05","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050004","7.1013","0.0009","11.1105","0.0015","16.346","0.003","91.662","0.006","91.036","0.007","93.65","0.006","1286.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Mn(hfac)2(EDO-EDT-TTF-Py)2","","","- C40 H24 F12 Mn N2 O8 S12 -","- C40 H24 F12 Mn N2 O8 S12 -","- C40 H24 F12 Mn N2 O8 S12 -","1","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Cador, Olivier; Yoshida, Yukihiro; Saito, Gunzi","Paramagnetic transition metal complexes with a redox-active ligand: M(hfac)2(EDO-EDT-TTF-py)n; [M = CuII, n= 1, 2; M = MnII, n= 2]","New Journal of Chemistry","2005","29","9","1135","","10.1039/b507163a","","","0.71073","MoKα","","0.2125","0.1056","","","0.2637","0.34","","","","","","1.029","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050005","9.2937","0.0001","15.1897","0.0002","24.3174","0.0006","92.461","0.001","93.048","0.001","105.491","0.001","3297.64","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Cu(hfac)2(EDO-EDT-TTF-Py)","","","- C25 H13 Cu F12 N O6 S6 -","- C25 H13 Cu F12 N O6 S6 -","- C100 H52 Cu4 F48 N4 O24 S24 -","4","2","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Cador, Olivier; Yoshida, Yukihiro; Saito, Gunzi","Paramagnetic transition metal complexes with a redox-active ligand: M(hfac)2(EDO-EDT-TTF-py)n; [M = CuII, n= 1, 2; M = MnII, n= 2]","New Journal of Chemistry","2005","29","9","1135","","10.1039/b507163a","","","0.71073","MoKα","","0.1093","0.0632","","","0.1553","0.1846","","","","","","1.018","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050006","7.266","0.004","12.168","0.003","17.628","0.004","100.33","","90.79","0.02","104.64","","1480.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","4,4-difluoro-8-(-1-pyrenyl)-1,3,5,7-tetramethyl-2,4-diethyl-4- bora-3a,4a-diaza-s-indacene","4,4-difluoro-8-(-1-pyrenyl)-1,3,5,7-tetramethyl-2,4-diethyl-4-bora- 3a,4a-diaza-s-indacene","","- C34 H34 B F2 N3 O2 -","- C34 H34 B F2 N3 O2 -","- C68 H68 B2 F4 N6 O4 -","2","1","","Rostron, James P.; Ulrich, Gilles; Retailleau, Pascal; Harriman, Anthony; Ziessel, Raymond","Engineering of an electronically decoupled difluoroindacene-pyrene dyad possessing high affinity for DNA","New Journal of Chemistry","2005","29","10","1241","","10.1039/b507585h","","","0.71073","MoKα","","0.1091","0.074","","","0.207","0.2367","","","","","","1.059","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050007","10.5232","0.0012","7.5048","0.0004","20.2461","0.0015","90","","102.02","0.007","90","","1563.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5-Diphenyl-1H-pyrrole-2-carboxylic acid ethyl ester","3,5-Diphenyl-1H-pyrrole-2-carboxylic acid ethyl ester","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","John Killoran; John F. Gallagher; Paul V. Murphy; Donal F. O'Shea","A study of the effects of subunit pre-orientation for diarylpyrrole esters; design of new aryl-heteroaryl fluorescent sensors","New Journal of Chemistry","2005","29","10","1258","","10.1039/b507669b","","","0.71073","MoKα","","0.0693","0.0449","","","0.1018","0.1142","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050008","9.8173","0.0011","13.3363","0.0011","15.9016","0.001","67.237","0.005","80.48","0.008","72.421","0.008","1827.3","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","3-(4-Dimethylamino-phenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester","3-(4-Dimethylamino-phenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","2","","John Killoran; John F. Gallagher; Paul V. Murphy; Donal F. O'Shea","A study of the effects of subunit pre-orientation for diarylpyrrole esters; design of new aryl-heteroaryl fluorescent sensors","New Journal of Chemistry","2005","29","10","1258","","10.1039/b507669b","","","0.71073","MoKα","","0.0997","0.0544","","","0.1187","0.1408","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7050009","7.861","0.002","9.401","0.003","14.244","0.003","83.46","0.02","81.78","0.01","79.74","0.02","1020.9","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","3-(4-Dimethylamino-2,6-dimethyl-phenyl)-5-phenyl-1H-pyrrole-2- carboxylic acid ethyl ester","3-(4-Dimethylamino-2,6-dimethyl-phenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C46 H52 N4 O4 -","2","1","","John Killoran; John F. Gallagher; Paul V. Murphy; Donal F. O'Shea","A study of the effects of subunit pre-orientation for diarylpyrrole esters; design of new aryl-heteroaryl fluorescent sensors","New Journal of Chemistry","2005","29","10","1258","","10.1039/b507669b","","","0.71073","MoKα","","0.214","0.154","","","","","","","","","","2.111","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7050010","7.6973","0.0005","9.3729","0.0006","14.0807","0.001","83.347","0.001","82.391","0.001","79.132","0.001","984.54","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","3-(4-Dimethylamino-2,6-dimethyl-phenyl)-5-phenyl-1H-pyrrole-2- carboxylic acid ethyl ester","3-(4-Dimethylamino-2,6-dimethyl-phenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C46 H52 N4 O4 -","2","1","","John Killoran; John F. Gallagher; Paul V. Murphy; Donal F. O'Shea","A study of the effects of subunit pre-orientation for diarylpyrrole esters; design of new aryl-heteroaryl fluorescent sensors","New Journal of Chemistry","2005","29","10","1258","","10.1039/b507669b","","","0.71073","MoKα","","0.0541","0.0478","","","0.1273","0.1326","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7050011","12.997","0.0002","18.486","0.0002","16.127","0.0003","90","","90","","90","","3874.71","0.1","110","2","110","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H60 N8 O8 -","- C36 H60 N8 O8 -","- C144 H240 N32 O32 -","4","0.5","","Meyer, Michel; Frémond, Laurent; Espinosa, Enrique; Brandès, Stéphane; Yves Vollmer, Guy; Guilard, Roger","Synthesis, characterization and X-ray crystal structures of cyclam derivatives. 7. Hydrogen-bond induced allosteric effects and protonation cooperativity in a macrotricyclic bisdioxocyclam receptor","New Journal of Chemistry","2005","29","9","1121","","10.1039/b508076b","","","0.7107","MoKα","","0.1415","0.0532","","","0.0992","0.1288","","","","","","1.004","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050012","7.5852","0.0011","12.1545","0.0017","22.829","0.003","90","","90","","90","","2104.7","0.5","273","2","150","1","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H22 Br2 N4 O4 Zn -","- C16 H22 Br2 N4 O4 Zn -","- C64 H88 Br8 N16 O16 Zn4 -","4","0.5","","Tzeng, Biing-Chiau; Chen, Bo-So; Lee, Shih-Yang; Liu, Wei-Hsin; Lee, Gene-Hsiang; Peng, Shie-Ming","Anion-directed assembly of supramolecular zinc(ii) halides with N,N′-bis-4-methyl-pyridyl oxalamide","New Journal of Chemistry","2005","29","10","1254","","10.1039/b508293e","","","0.71073","MoKα","","0.0484","0.0339","","","0.0812","0.0887","","","","","","1.039","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050013","7.4152","0.0002","11.8222","0.0003","22.7057","0.0007","90","","90","","90","","1990.47","0.1","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H22 Cl2 N4 O4 Zn -","- C16 H22 Cl2 N4 O4 Zn -","- C64 H88 Cl8 N16 O16 Zn4 -","4","0.5","","Tzeng, Biing-Chiau; Chen, Bo-So; Lee, Shih-Yang; Liu, Wei-Hsin; Lee, Gene-Hsiang; Peng, Shie-Ming","Anion-directed assembly of supramolecular zinc(ii) halides with N,N′-bis-4-methyl-pyridyl oxalamide","New Journal of Chemistry","2005","29","10","1254","","10.1039/b508293e","","","0.71073","MoKα","","0.0891","0.0501","","","0.1152","0.1287","","","","","","1.103","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050014","8.2323","0.0001","10.9481","0.0001","12.0332","0.0002","105.908","0.001","96.5427","0.0009","102.907","0.0008","998.74","0.02","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 I4 N8 O6 Zn2 -","- C32.02 H24 I4 N8 O5.98 Zn2 -","- C32.02 H24 I4 N8 O5.98 Zn2 -","1","0.5","","Tzeng, Biing-Chiau; Chen, Bo-So; Lee, Shih-Yang; Liu, Wei-Hsin; Lee, Gene-Hsiang; Peng, Shie-Ming","Anion-directed assembly of supramolecular zinc(ii) halides with N,N′-bis-4-methyl-pyridyl oxalamide","New Journal of Chemistry","2005","29","10","1254","","10.1039/b508293e","","","0.71073","MoKα","","0.0363","0.0314","","","0.0801","0.0825","","","","","","1.037","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050015","10.902","0.001","12.36","0.001","17.546","0.002","90","","90","","90","","2364.3","0.4","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11.5 H7 F3 N2 S -","- C11.25 H7 F3 N2 S -","- C90 H56 F24 N16 S8 -","8","1","","Marion Giraud; Anne Léaustic; Marie-France Charlot; Pei Yu; Michèle Césario; Christian Philouze; Robert Pansu; Keitaro Nakatani; Eléna Ishow","Synthesis and photochromism of two new 1,2-bis(thiazolyl)perfluorocyclopentenes with chelating sites","New Journal of Chemistry","2005","29","3","439","","10.1039/b409274k","","","1.5418","CuKα","","0.0673","0.0673","","0.1183","","0.1183","","","1.987","","","1.987","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050016","16.492","0.006","8.379","0.003","16.79","0.007","90","","93.52","0.04","90","","2315.8","1.5","293","2","293","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 F6 N4 S2 -","- C23 H14 F6 N4 S2 -","- C92 H56 F24 N16 S8 -","4","1","","Marion Giraud; Anne Léaustic; Marie-France Charlot; Pei Yu; Michèle Césario; Christian Philouze; Robert Pansu; Keitaro Nakatani; Eléna Ishow","Synthesis and photochromism of two new 1,2-bis(thiazolyl)perfluorocyclopentenes with chelating sites","New Journal of Chemistry","2005","29","3","439","","10.1039/b409274k","","","0.71073","MoKα","","0.0749","0.0496","","0.1698","","0.1401","","","0.869","","","0.876","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050018","13.405","0.006","10.911","0.002","14.405","0.003","90","","90","","90","","2106.9","1.1","296.2","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C104 H100 N12 O8 -","4","1","","Ooyama, Yousuke; Nakamura, Takato; Yoshida, Katsuhira","Heterocyclic quinol-type fluorophores. Synthesis of novel imidazoanthraquinol derivatives and their photophysical properties in benzene and in the crystalline state","New Journal of Chemistry","2005","29","3","447","","10.1039/b410311d","","","0.7107","MoKα","","0.0736","0.0424","","","0.0987","0.1201","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050019","16.13","0.003","8.793","0.003","18.26","0.003","90","","96.12","0.01","90","","2575.1","1.1","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N3 O2 -","- C30 H33 N3 O2 -","- C120 H132 N12 O8 -","4","1","","Ooyama, Yousuke; Nakamura, Takato; Yoshida, Katsuhira","Heterocyclic quinol-type fluorophores. Synthesis of novel imidazoanthraquinol derivatives and their photophysical properties in benzene and in the crystalline state","New Journal of Chemistry","2005","29","3","447","","10.1039/b410311d","","","0.7107","MoKα","","0.0556","0.0439","","","0.1093","0.1212","","","","","","1.312","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050020","13.8846","0.0005","14.8256","0.0004","21.8859","0.0007","102.61","0.002","92.898","0.002","113.902","0.002","3970.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Br30 Mn6 O27 -","- C28 H20 Br30 Mn6 O27 -","- C56 H40 Br60 Mn12 O54 -","2","1","","Jordi Gómez-Segura; Elsa Lhotel; Carley Paulsen; Dominique Luneau; Klaus Wurst; Jaume Veciana; Daniel Ruiz-Molina; Philippe Gerbier","Trihaloacetic acids: an investigation of steric and inductive ligand effects on the synthesis of [Mn12O12(O2CCX3)16(H2O)4] single-molecule magnets","New Journal of Chemistry","2005","29","3","499","","10.1039/b411371c","","","0.71073","MoKα","","0.0917","0.065","","","0.1662","0.1802","","","","","","1.036","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050021","10.6317","0.0006","13.5792","0.0005","17.0719","0.0009","78.218","0.003","76.225","0.002","78.187","0.003","2311.5","0.2","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cl18 Mn3 O17 -","- C17 Cl18 Mn3 O17 -","- C34 Cl36 Mn6 O34 -","2","1","","Jordi Gómez-Segura; Elsa Lhotel; Carley Paulsen; Dominique Luneau; Klaus Wurst; Jaume Veciana; Daniel Ruiz-Molina; Philippe Gerbier","Trihaloacetic acids: an investigation of steric and inductive ligand effects on the synthesis of [Mn12O12(O2CCX3)16(H2O)4] single-molecule magnets","New Journal of Chemistry","2005","29","3","499","","10.1039/b411371c","","","0.71073","MoKα","","0.0872","0.0732","","","0.2097","0.2211","","","","","","1.041","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050022","15.789","0.0008","19.5781","0.001","20.064","0.001","95.61","0.001","105.667","0.001","106.933","0.001","5607.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H15 F48 Mn12 O49.5 -","- C32 F48 Mn12 O49.5 -","- C64 F96 Mn24 O99 -","2","1","","Jordi Gómez-Segura; Elsa Lhotel; Carley Paulsen; Dominique Luneau; Klaus Wurst; Jaume Veciana; Daniel Ruiz-Molina; Philippe Gerbier","Trihaloacetic acids: an investigation of steric and inductive ligand effects on the synthesis of [Mn12O12(O2CCX3)16(H2O)4] single-molecule magnets","New Journal of Chemistry","2005","29","3","499","","10.1039/b411371c","","","0.71073","MoKα","","0.1066","0.0586","","","0.1777","0.1952","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050023","11.239","0.002","12.38","0.003","13.299","0.003","74.38","0.03","77.53","0.03","66.05","0.02","1616.6","0.7","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H43 N O4 S6 -","- C26 H43 N O4 S6 -","- C52 H86 N2 O8 S12 -","2","1","","Lin, Hai-Hong; Yan, Zhe-Min; Dai, Jie; Zhang, De-Qing; Zuo, Jing-Lin; Zhu, Qin-Yu; Jia, Ding-Xian","A water-soluble derivative of tetrathiafulvalene exhibiting pH sensitive redox properties","New Journal of Chemistry","2005","29","3","509","","10.1039/b411380b","","","0.7107","MoKα","","0.1425","0.1083","","","0.1787","0.1909","","","","","","1.238","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050024","11.111","0.002","16.954","0.002","12.318","0.002","90","","113.97","0.01","90","","2120.3","0.5","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C104 H100 N12 O8 -","4","1","","Katsuhira Yoshida; Yousuke Ooyama","Heterocyclic quinol-type fluorophores. Part 4. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules","New J.Chem.(Nouv.J.Chim.)","2005","","","","","10.1039/b411591k","","","0.7107","MoKα","","0.0994","0.0623","","","0.1457","0.1662","","","","","","1.444","","","","has coordinates","282887","2023-04-27","17:16:28",""
"7050025","11.111","0.002","16.954","0.002","12.318","0.002","90","","113.97","0.01","90","","2120.3","0.5","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C104 H100 N12 O8 -","4","1","","Katsuhira Yoshida; Yousuke Ooyama","Heterocyclic quinol-type fluorophores. Part 4. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules","New J.Chem.(Nouv.J.Chim.)","2005","","","","","10.1039/b411591k","","","0.7107","MoKα","","0.1687","0.0827","","","0.2003","0.2174","","","","","","1.901","","","","has coordinates","282887","2023-04-27","17:16:28",""
"7050026","13.277","0.002","11.943","0.002","17.664","0.003","90","","108.36","0.01","90","","2658.4","0.8","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 N3 O3 -","- C30 H35 N3 O3 -","- C120 H140 N12 O12 -","4","1","","Ooyama, Yousuke; Yoshida, Katsuhira","Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules","New Journal of Chemistry","2005","29","9","1204","","10.1039/b411591k","","","0.7107","MoKα","","0.0738","0.0537","","","0.1332","0.1467","","","","","","1.579","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050027","9.25","0.003","16.607","0.008","8.1","0.002","96.08","0.03","97.9","0.02","96.25","0.03","1215.9","0.8","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N3 O3 -","- C28 H29 N3 O3 -","- C56 H58 N6 O6 -","2","1","","Ooyama, Yousuke; Yoshida, Katsuhira","Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules","New Journal of Chemistry","2005","29","9","1204","","10.1039/b411591k","","","0.7107","MoKα","","0.0776","0.0601","","","0.1568","0.1621","","","","","","2.136","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050028","9.62","0.002","23.485","0.002","15.297","0.002","90","","107.87","0.01","90","","3289.3","0.9","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H45 N3 O4 -","- C34 H45 N3 O4 -","- C136 H180 N12 O16 -","4","1","","Ooyama, Yousuke; Yoshida, Katsuhira","Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules","New Journal of Chemistry","2005","29","9","1204","","10.1039/b411591k","","","0.7107","MoKα","","0.099","0.0593","","","0.1292","0.1566","","","","","","1.185","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050029","7.957","0.003","20.75","0.002","14.977","0.002","90","","96.81","0.02","90","","2455.4","1","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 N3 O3 -","- C28 H31 N3 O3 -","- C112 H124 N12 O12 -","4","1","","Ooyama, Yousuke; Yoshida, Katsuhira","Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules","New Journal of Chemistry","2005","29","9","1204","","10.1039/b411591k","","","0.7107","MoKα","","0.0635","0.0465","","","0.1153","0.1216","","","","","","1.439","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050030","16.57","0.01","12.047","0.008","24.125","0.008","90","","90","","90","","4816","5","296.2","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H30 N3 O2.5 -","- C28 H30 N3 O2.5 -","- C224 H240 N24 O20 -","8","2","","Ooyama, Yousuke; Yoshida, Katsuhira","Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules","New Journal of Chemistry","2005","29","9","1204","","10.1039/b411591k","","","0.7107","MoKα","","0.1085","0.0497","","","0.0571","0.0699","","","","","","1.212","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050031","9.5378","0.001","12.572","0.0014","5.183","0.0006","90","","90","","90","","621.49","0.12","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","nickel amidomethylphosphonate monohydrate","","- C2 H6 N Ni O5 P -","- C2 H4 N Ni O5 P -","- C8 H16 N4 Ni4 O20 P4 -","4","1","","Modi, Rakesh; Hix, Gary B.; Tremayne, Maryjane; MacLean, Elizabeth","Polymorphism in nickel phosphonates: synthesis of layered and microporous Ni(O3PCH2C(O)NH2)�H2O","New Journal of Chemistry","2005","29","3","427","","10.1039/b411740a","","","0.6877","synchrotron","","0.0541","0.0526","","","0.1332","0.1341","","","","","","1.067","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050032","6.956","0.002","5.6659","0.001","18.636","0.005","90","","98.9","0.02","90","","725.6","0.3","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl I S -","- C14 H14 Cl I S -","- C28 H28 Cl2 I2 S2 -","2","1","","Asseily, Gabriel A.; Davies, Robert P.; Rzepa, Henry S.; White, Andrew J. P.","A solid-state structural and theoretical study on the 1 ? 1 addition compounds of thioethers with dihalogens and interhalogens I?X (X = I, Br, Cl)","New Journal of Chemistry","2005","29","2","315","","10.1039/b411873a","","","1.54178","CuKα","","0.037","0.0346","","","0.0836","0.0843","","","","","","1.074","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050033","7.1678","0.0006","5.7376","0.0011","18.5292","0.0018","90","","100.495","0.007","90","","749.28","0.17","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br I S -","- C14 H14 Br I S -","- C28 H28 Br2 I2 S2 -","2","1","","Asseily, Gabriel A.; Davies, Robert P.; Rzepa, Henry S.; White, Andrew J. P.","A solid-state structural and theoretical study on the 1 ? 1 addition compounds of thioethers with dihalogens and interhalogens I?X (X = I, Br, Cl)","New Journal of Chemistry","2005","29","2","315","","10.1039/b411873a","","","0.71073","MoKα","","0.0321","0.0264","","","0.0529","0.0542","","","","","","1.06","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050034","14.3905","0.0007","42.019","0.002","42.158","0.002","90","","90","","90","","25492","2","193","2","193","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H62 Cu2 N12 O27 -","- C40 H32 Cu2 N12 O26 -","- C640 H512 Cu32 N192 O416 -","16","1","","Lu, Jack Y.; Fernandez, Wifredo A.; Ge, Zhenghua; Abboud, Khalil A.","A novel two-fold interpenetrating 3D 42.84 network self-assembled from a new 1D coordination polymer","New Journal of Chemistry","2005","29","3","434","","10.1039/b412334d","","","0.71073","MoKα","","0.0797","0.0699","","","0.2103","0.2233","","","","","","1.097","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050035","7.8122","0.0008","7.8122","0.0008","20.232","0.003","90","","90","","90","","1234.8","0.3","223","2","223","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H8 Cu N4 O6 -","- C10 H8 Cu N4 O6 -","- C40 H32 Cu4 N16 O24 -","4","0.5","","Lu, Jack Y.; Fernandez, Wifredo A.; Ge, Zhenghua; Abboud, Khalil A.","A novel two-fold interpenetrating 3D 42.84 network self-assembled from a new 1D coordination polymer","New Journal of Chemistry","2005","29","3","434","","10.1039/b412334d","","","0.71073","MoKα","","0.0303","0.0252","","","0.0654","0.0684","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050036","11.576","0.001","23.162","0.003","11.171","0.001","90","","117.85","0.01","90","","2648.3","0.5","150","","150","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Br2 N Ni P -","- C28 H26 Br2 N Ni P -","- C112 H104 Br8 N4 Ni4 P4 -","4","1","","Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees","New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr","New Journal of Chemistry","2005","29","2","385","","10.1039/b412391c","","","0.71069","MoKα","","0.1762","0.117","","0.1087","0.1041","0.1041","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050037","13.535","0.0006","23.464","0.002","27.85","0.003","90","","90","","90","","8844.7","1.3","150","","150","","","","","","","","?","8","P c a b","-P 2bc 2ac","61","","","","- C41.24 H39.47 Br2 Cl2.47 N Ni O P2 -","- C41.236 H39.4718 Br2 Cl2.472 N Ni O P2 -","- C329.888 H315.774 Br16 Cl19.776 N8 Ni8 O8 P16 -","8","1","","Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees","New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr","New Journal of Chemistry","2005","29","2","385","","10.1039/b412391c","","","0.71069","MoKα","","0.131","0.0581","","0.0962","0.0658","0.0658","","","","","","1.2474","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050038","9.9766","0.0002","13.5588","0.0003","21.8426","0.0007","90","","90","","90","","2954.66","0.13","150","","150","","","","","","","","?","6","P 21 c n","P -2n 2a","33","","","","- C32 H34 Br2 N P Pd -","- C32 H34 Br2 N P Pd -","- C128 H136 Br8 N4 P4 Pd4 -","4","1","","Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees","New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr","New Journal of Chemistry","2005","29","2","385","","10.1039/b412391c","","","0.71073","MoKα","","0.0779","0.0394","","0.0664","0.0344","0.0344","","","","","","1.1158","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050039","10.4664","0.0002","16.3356","0.0003","16.3526","0.0003","90","","99.3449","0.0009","90","","2758.78","0.09","150","","150","","","","","","","","?","6","P 1 21 1","P 2yb","4","","","","- C28 H26 I2 N P Pd -","- C28 H26 I2 N P Pd -","- C112 H104 I8 N4 P4 Pd4 -","4","2","","Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees","New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr","New Journal of Chemistry","2005","29","2","385","","10.1039/b412391c","","","0.71073","MoKα","","0.0408","0.0304","","0.0346","0.0333","0.0333","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050040","39.359","0.001","9.388","0.001","14.772","0.001","90","","107.83","0.01","90","","5196.1","0.7","150","","150","","","","","","","","?","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 N P Pt -","- C30 H31 N P Pt -","- C240 H248 N8 P8 Pt8 -","8","1","","Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees","New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr","New Journal of Chemistry","2005","29","2","385","","10.1039/b412391c","","","0.71073","MoKα","","0.0314","0.0272","","0.0357","0.0349","0.0349","","","","","","1.3238","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050041","20.8343","0.0012","10.083","0.0006","13.5064","0.0008","90","","90","","90","","2837.3","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","μ6-oxo-dodeca-μ-methoxo-hexakis(oxovanadium)","","- C12 H36 O19 V6 -","- C12 H36 O19 V6 -","- C48 H144 O76 V24 -","4","1","","Yurii, Yablokov; Maria A. Augustyniak-Jablokow; .; Serguei Borshch; .; Daniel, Charles; Hartl, Hans","EPR study of the magnetic states of mixed-valence VIV4 - VV2 alkoxypolyoxovanadium cluster","New J.Chem.(Nouv.J.Chim.)","2005","","","","","10.1039/b412427h","","","0.71073","MoKα","","0.0347","0.0282","","","0.0694","0.0727","","","","","","1.016","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050042","26.7896","0.0005","26.7896","0.0005","22.2608","0.0004","90","","90","","90","","15976.2","0.5","183.2","","183.2","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C29 H11 Cl3 F20 O P2 Re -","- C26 H4 Cl3 F20 O P2 Re -","- C416 H64 Cl48 F320 O16 P32 Re16 -","16","1","","Parr, Maria L.; Perez-Acosta, Carmen; Faller, J. W.","Synthesis, characterization and structural investigation of new rhenium-oxo complexes containing bidentate phosphine ligands: an exploration of chirality and conformation in chelate rings of small and large bite angle ligands","New Journal of Chemistry","2005","29","4","613","","10.1039/b412818d","","","0.7107","MoKα","","0.0535","0.031","","0.042","","0.038","","","0.866","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050043","17.2122","0.0002","14.1969","0.0002","28.0146","0.0005","90","","90","","90","","6845.64","0.17","183.2","","183.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H32 Cl3 O2 P2 Re -","- C39 H32 Cl3 O2 P2 Re -","- C312 H256 Cl24 O16 P16 Re8 -","8","1","","Parr, Maria L.; Perez-Acosta, Carmen; Faller, J. W.","Synthesis, characterization and structural investigation of new rhenium-oxo complexes containing bidentate phosphine ligands: an exploration of chirality and conformation in chelate rings of small and large bite angle ligands","New Journal of Chemistry","2005","29","4","613","","10.1039/b412818d","","","0.7107","MoKα","","0.101","0.048","","0.063","","0.051","","","0.96","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050044","8.173","0.006","10.794","0.008","10.913","0.008","69.848","0.013","85.759","0.013","82.043","0.013","894.7","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 F18 N2 S6 Ti -","- C20 H36 F18 N2 S6 Ti -","- C20 H36 F18 N2 S6 Ti -","1","0.5","","Carmalt, Claire J.; Peters, Emily S.; Parkin, Ivan P.; Tocher, Derek A.","Reactivity of tetrakisdimethylamido-titanium(iv) and -zirconium(iv) with thiols","New Journal of Chemistry","2005","29","4","620","","10.1039/b413060j","","","0.71073","MoKα","","0.0468","0.0416","","","0.1064","0.1107","","","","","","0.976","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050045","11.8588","0.0006","18.7448","0.001","27.2112","0.0014","90","","94.271","0.001","90","","6032","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H93 Cl4 N S9 Zr2 -","- C40 H93 Cl4 N S9 Zr2 -","- C160 H372 Cl16 N4 S36 Zr8 -","4","1","","Carmalt, Claire J.; Peters, Emily S.; Parkin, Ivan P.; Tocher, Derek A.","Reactivity of tetrakisdimethylamido-titanium(iv) and -zirconium(iv) with thiols","New Journal of Chemistry","2005","29","4","620","","10.1039/b413060j","","","0.71073","MoKα","","0.0584","0.0494","","","0.1086","0.1127","","","","","","1.126","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050046","10.2844","0.0005","16.5841","0.0008","75.389","0.004","90","","90","","90","","12858.2","1.1","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H34 N4 O4 Zn -","- C38 H34 N4 O4 Zn -","- C608 H544 N64 O64 Zn16 -","16","2","","Takacs, James M.; Hrvatin, Paul M.; Atkins, Jeffery M.; Reddy, D. Sahadeva; Clark, Joanna L.","The selective formation of neutral, heteroleptic zinc(ii) complexes via self-discrimination of chiral bisoxazoline racemates and pseudoracemates","New Journal of Chemistry","2005","29","2","263","","10.1039/b413439g","","","0.71073","MoKα","","0.0554","0.0524","","","0.1037","0.1046","","","","","","1.214","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050047","17.205","0.003","10.733","0.002","18.407","0.004","90","","105.98","0.03","90","","3267.7","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N4 O4 Zn -","- C38 H34 N4 O4 Zn -","- C152 H136 N16 O16 Zn4 -","4","1","","Takacs, James M.; Hrvatin, Paul M.; Atkins, Jeffery M.; Reddy, D. Sahadeva; Clark, Joanna L.","The selective formation of neutral, heteroleptic zinc(ii) complexes via self-discrimination of chiral bisoxazoline racemates and pseudoracemates","New Journal of Chemistry","2005","29","2","263","","10.1039/b413439g","","","0.71073","MoKα","","0.0746","0.0549","","","0.1408","0.1532","","","","","","1.124","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050048","10.7889","0.0006","10.8866","0.0006","17.2241","0.0009","73.146","0.001","88.623","0.001","86.943","0.001","1933.32","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C46 H39 N5 O4 Zn -","- C46 H39 N5 O4 Zn -","- C92 H78 N10 O8 Zn2 -","2","2","","Takacs, James M.; Hrvatin, Paul M.; Atkins, Jeffery M.; Reddy, D. Sahadeva; Clark, Joanna L.","The selective formation of neutral, heteroleptic zinc(ii) complexes via self-discrimination of chiral bisoxazoline racemates and pseudoracemates","New Journal of Chemistry","2005","29","2","263","","10.1039/b413439g","","","0.71073","MoKα","","0.0391","0.0378","","","0.0903","0.0911","","","","","","1.046","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050049","16.0169","0.0017","16.2046","0.001","27.024","0.003","96.325","0.006","96.207","0.005","108.071","0.006","6551.9","1.1","100","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C141.5 H183.5 N7.5 O14 U -","- C141.5 H183.5 N7.5 O14 U -","- C283 H367 N15 O28 U2 -","2","1","","Bernardo Masci; Pierre Thuéry","Synthesis of homooxacalixarenes with 5 and 10 phenol units and crystal structure of their complexes with uranyl ions","New Journal of Chemistry","2005","29","3","493","","10.1039/b413827a","","","0.71073","MoKα","","0.1717","0.0867","","","0.1842","0.2307","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050050","13.45","0.0014","19.1428","0.0016","20.2899","0.0018","117.13","0.006","102.485","0.007","96.117","0.007","4411","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C178 H244 N20 O28 U4 -","- C178 H240 N20 O28 U4 -","- C178 H240 N20 O28 U4 -","1","0.5","","Bernardo Masci; Pierre Thuéry","Synthesis of homooxacalixarenes with 5 and 10 phenol units and crystal structure of their complexes with uranyl ions","New Journal of Chemistry","2005","29","3","493","","10.1039/b413827a","","","0.71073","MoKα","","0.2695","0.0886","","","0.1589","0.2386","","","","","","0.913","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050051","12.6083","0.0001","12.8156","0.0001","13.7369","0.0001","75.0063","0.0004","76.7008","0.0004","64.5828","0.0004","1918.45","0.03","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H18 Ag B F24 N2 -","- C36 H18 Ag B F24 N2 -","- C72 H36 Ag2 B2 F48 N4 -","2","1","","Yanmei Zhang; Ana M. Santos; Eberhardt Herdtweck; Janos Mink; Fritz E. Kühn","Organonitrile ligated silver complexes with perfluorinated weakly coordinating anions and their catalytic application for coupling reactions","New Journal of Chemistry","2005","29","2","366","","10.1039/b414060e","","","0.71073","MoKα","","0.0467","0.0369","","","0.0886","0.094","","","","","","1.022","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050052","13.2954","0.0008","12.4529","0.0008","8.5445","0.0005","90","","97.917","0.001","90","","1401.2","0.15","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C56 H56 N24 O4 -","4","1","","Daniel L. Reger; James R. Gardinier; Selma Bakbak; Radu F. Semeniuc; Uwe H. F. Bunz; Mark D. Smith","Multitopic third generation tris(pyrazolyl)methane ligands built on alkyne structural scaffolding: first preparation of mixed tris(pyrazolyl)methane/tris(pyrazolyl)borate ligands","New Journal of Chemistry","2005","29","8","1035","","10.1039/b414770g","","","0.71073","MoKα","","0.0314","0.0294","","","0.0625","0.063","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050053","8.7819","0.0006","12.1248","0.0008","15.3073","0.001","96.84","0.001","99.563","0.001","105.995","0.001","1521.48","0.18","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 I N12 O2 -","- C30 H29 I N12 O2 -","- C60 H58 I2 N24 O4 -","2","1","","Daniel L. Reger; James R. Gardinier; Selma Bakbak; Radu F. Semeniuc; Uwe H. F. Bunz; Mark D. Smith","Multitopic third generation tris(pyrazolyl)methane ligands built on alkyne structural scaffolding: first preparation of mixed tris(pyrazolyl)methane/tris(pyrazolyl)borate ligands","New Journal of Chemistry","2005","29","8","1035","","10.1039/b414770g","","","0.71073","MoKα","","0.034","0.0318","","","0.0796","0.0812","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050054","8.1473","0.0005","34.148","0.002","11.3257","0.0007","90","","109.185","0.001","90","","2976","0.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 N24 O4 -","- C62 H58 N24 O4 -","- C124 H116 N48 O8 -","2","0.5","","Daniel L. Reger; James R. Gardinier; Selma Bakbak; Radu F. Semeniuc; Uwe H. F. Bunz; Mark D. Smith","Multitopic third generation tris(pyrazolyl)methane ligands built on alkyne structural scaffolding: first preparation of mixed tris(pyrazolyl)methane/tris(pyrazolyl)borate ligands","New Journal of Chemistry","2005","29","8","1035","","10.1039/b414770g","","","0.71073","MoKα","","0.0815","0.0639","","","0.1656","0.1752","","","","","","1.063","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050055","8.5941","0.0004","13.4373","0.0007","16.3188","0.0008","103.953","0.001","98.33","0.001","106.999","0.001","1701.27","0.15","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C62 H60 B2 Cl8 Fe N24 O2 -","- C60 H56 B2 Cl4 Fe N24 O2 -","- C60 H56 B2 Cl4 Fe N24 O2 -","1","0.5","","Daniel L. Reger; James R. Gardinier; Selma Bakbak; Radu F. Semeniuc; Uwe H. F. Bunz; Mark D. Smith","Multitopic third generation tris(pyrazolyl)methane ligands built on alkyne structural scaffolding: first preparation of mixed tris(pyrazolyl)methane/tris(pyrazolyl)borate ligands","New Journal of Chemistry","2005","29","8","1035","","10.1039/b414770g","","","0.71073","MoKα","","0.0816","0.0728","","","0.2133","0.2232","","","","","","1.088","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050056","9.278","0.0011","13.531","0.0016","13.9489","0.0017","113.953","0.003","90.227","0.002","102.32","0.002","1555.4","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis-{[1-(n-hexyl)-3-methyl-5-oxo-2-pyrazolin-4-ilpropyliden]-1-yl} ethylenedi-amino manganese(V)","","- C28 H48 Mn N7 O2 -","- C28 H48 Mn N7 O2 -","- C56 H96 Mn2 N14 O4 -","2","1","","Fredy R. Pérez; Julio Belmar; Yanko Moreno; Ricardo Baggio; Octavio Peña","Pyrazolone-based nitrido complexes: synthesis and nitrogen transfer to alkenes","New Journal of Chemistry","2005","29","2","283","","10.1039/b415101a","","","0.71073","MoKα","","0.1384","0.0672","","","0.1564","0.1961","","","","","","1.029","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050057","30.392","0.004","30.392","0.004","15.737","0.004","90","","90","","90","","14536","5","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C36 H26 Eu2 O16 -","- C36 H18 Eu2 O16 -","- C576 H288 Eu32 O256 -","16","1","","Zheng, Xiang-Jun; Jin, Lin-Pei; Gao, Song; Lu, Shao-Zhe","Second ligand-directed self-assembly of lanthanide(iii) coordination polymers with 1,4-naphthalenedicarboxylate","New Journal of Chemistry","2005","29","6","798","","10.1039/b415337e","","","0.71073","MoKα","","0.0679","0.0387","","","0.0586","0.0657","","","","","","1.03","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050058","30.408","0.005","30.408","0.005","15.747","0.005","90","","90","","90","","14560","6","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C36 H25 Gd2 O15.5 -","- C36 H18 Gd2 O15.5 -","- C576 H288 Gd32 O248 -","16","1","","Zheng, Xiang-Jun; Jin, Lin-Pei; Gao, Song; Lu, Shao-Zhe","Second ligand-directed self-assembly of lanthanide(iii) coordination polymers with 1,4-naphthalenedicarboxylate","New Journal of Chemistry","2005","29","6","798","","10.1039/b415337e","","","0.71073","MoKα","","0.065","0.0362","","","0.0548","0.0623","","","","","","1.116","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050059","14.24","0.005","22.191","0.007","15.185","0.005","90","","102.98","0.005","90","","4676","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H36 Eu2 N3 O15 -","- C51 H36 Eu2 N3 O15 -","- C204 H144 Eu8 N12 O60 -","4","1","","Zheng, Xiang-Jun; Jin, Lin-Pei; Gao, Song; Lu, Shao-Zhe","Second ligand-directed self-assembly of lanthanide(iii) coordination polymers with 1,4-naphthalenedicarboxylate","New Journal of Chemistry","2005","29","6","798","","10.1039/b415337e","","","0.71073","MoKα","","0.0845","0.0423","","","0.0557","0.0645","","","","","","0.962","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050060","14.099","0.005","21.938","0.008","15.066","0.006","90","","103.259","0.008","90","","4536","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H36 N3 O15 Yb2 -","- C51 H36 N3 O15 Yb2 -","- C204 H144 N12 O60 Yb8 -","4","1","","Zheng, Xiang-Jun; Jin, Lin-Pei; Gao, Song; Lu, Shao-Zhe","Second ligand-directed self-assembly of lanthanide(iii) coordination polymers with 1,4-naphthalenedicarboxylate","New Journal of Chemistry","2005","29","6","798","","10.1039/b415337e","","","0.71073","MoKα","","0.2442","0.0959","","","0.1728","0.2582","","","","","","0.976","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050061","8.777","0.005","21.279","0.005","9.934","0.005","90","0.005","97.797","0.005","90","0.005","1838.2","1.5","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C48 H36 N2 O2 -","- C48 H36 N2 O2 -","- C96 H72 N4 O4 -","2","1","","Yan, Yun-Xing; Tao, Xu-Tang; Sun, Yuan-Hong; Wang, Chuan-Kui; Xu, Gui-Bao; Yu, Wen-Tao; Zhao, Hua-Ping; Yang, Jia-Xiang; Yu, Xiao-Qiang; Wu, Yong-Zhong; Zhao, Xian; Jiang, Min-Hua","Structures and nonlinear optical properties of new symmetrical two-photon photopolymerization initiators","New Journal of Chemistry","2005","29","3","479","","10.1039/b415354e","","","0.71069","MoKα","","0.166","0.0648","","","0.1199","0.1573","","","","","","0.939","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050062","7.3627","0.0014","12.33","0.003","13.929","0.002","83.439","0.008","81.485","0.007","72.674","0.009","1190.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Co2 N2 O14 -","- C21 H18 Co2 N2 O14 -","- C42 H36 Co4 N4 O28 -","2","1","","Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Kang, Yao; Qin, Ye-Yan; Yao, Yuan-Gen","A novel 3D framework generated by unusual pillared 2D bilayer motifs","New Journal of Chemistry","2005","29","3","421","","10.1039/b415953e","","","0.71073","MoKα","","","0.0739","","","0.1381","0.1543","","","","","","1.085","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050063","8.8868","0.0006","9.972","0.0007","10.5256","0.0008","75.286","0.003","81.777","0.003","85.916","0.003","892.31","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cu N2 O7 -","- C16 H22 Cu N2 O7 -","- C32 H44 Cu2 N4 O14 -","2","1","","Graf, Ernest; Wais Hosseini, Mir; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: design of coordinating tectons based on diazamacrocycles bearing pyridine units and formation of 1D copper coordination networks","New Journal of Chemistry","2005","29","2","343","","10.1039/b416145a","","","0.71073","MoKα","","0.0904","0.0696","","","0.175","0.191","","","","","","1.109","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050064","8.6452","0.0002","11.4949","0.0003","12.4095","0.0003","108.692","0.002","93.096","0.002","107.264","0.002","1100.27","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H52 Cu2 N4 O14 -","- C37 H44 Cu2 N4 O14 -","- C37 H44 Cu2 N4 O14 -","1","0.5","","Graf, Ernest; Wais Hosseini, Mir; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: design of coordinating tectons based on diazamacrocycles bearing pyridine units and formation of 1D copper coordination networks","New Journal of Chemistry","2005","29","2","343","","10.1039/b416145a","","","0.71073","MoKα","","0.0827","0.0531","","","0.1707","0.1888","","","","","","1.024","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050065","14.991","0.003","17.852","0.004","19.543","0.004","90","","100.154","0.003","90","","5148.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 Ag3 N13 O17 -","- C42 H46 Ag3 N13 O17 -","- C168 H184 Ag12 N52 O68 -","4","1","","Laura Valencia; Rufina Bastida; Alejandro Macías; Manuel Vicente; Paulo Pérez-Lourido","Synthesis and helical polymeric structure of a luminescent pendant-armed macrocyclic silver(i) complex with Ag?Ag interactions","New Journal of Chemistry","2005","29","3","424","","10.1039/b416342g","","","0.71073","MoKα","","0.0583","0.0314","","","0.0766","0.0935","","","","","","1.069","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050066","8.413","0.002","9.333","0.002","10.846","0.002","68.71","0.003","73.31","0.003","76.7","0.003","752.5","0.3","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","3,5-dimethyl-1-thiocarboxamide pyrazole","","- C6 H9 N3 S -","- C6 H9 N3 S -","- C24 H36 N12 S4 -","4","2","","Kovács, Attila; Nemcsok, Dénes; Pokol, György; Mészáros Szécsényi, Katalin; Leovac, Vukadin M.; Jaćimović, Željko K.; Radosavljević Evans, Ivana; Howard, Judith A. K.; Tomić, Zoran D.; Giester, Gerald","Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L = 3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L","New Journal of Chemistry","2005","29","6","833","","10.1039/b416816j","","","0.71073","MoKα","","0.0597","0.0397","","","0.0956","0.1038","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050067","8.8204","0.0015","9.9196","0.0016","11.1329","0.0018","82.063","0.003","80.698","0.003","83.015","0.003","947.1","0.3","120","","120","","","","","","","","?","6","P -1","-P 1","2","","","","- C12 H18 Cl2 Hg N6 S2 -","- C12 H18 Cl2 Hg N6 S2 -","- C24 H36 Cl4 Hg2 N12 S4 -","2","1","","Kovács, Attila; Nemcsok, Dénes; Pokol, György; Mészáros Szécsényi, Katalin; Leovac, Vukadin M.; Jaćimović, Željko K.; Radosavljević Evans, Ivana; Howard, Judith A. K.; Tomić, Zoran D.; Giester, Gerald","Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L = 3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L","New Journal of Chemistry","2005","29","6","833","","10.1039/b416816j","","","0.71073","MoKα","","0.0292","0.0268","","0.0696","0.0694","0.0694","","","","","","1.0027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050068","8.1686","0.0016","10.4479","0.0018","10.8106","0.0017","62.257","0.007","69.159","0.007","80.817","0.009","763.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Ag3 N3 O7 -","- C12 H8 Ag3 N3 O7 -","- C24 H16 Ag6 N6 O14 -","2","1","","Liu, Zheng; Liu, Ping; Chen, Yun; Wang, Jian; Huang, Meihua","Synthesis, structures, and photoluminescent properties of two ligand unsupported silver(i) coordination polymers from isonicotinate anions","New Journal of Chemistry","2005","29","3","474","","10.1039/b417363e","","","0.71073","MoKα","","0.025","0.0224","","","0.0568","0.0578","","","","","","1.07","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050069","14.0652","0.0011","15.6176","0.0014","11.5015","0.0011","90","","99.635","0.007","90","","2490.8","0.4","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(2-hydroxypyridine)-2-hydroxypyridinium triiodide","tris(2-hydroxypyridine)-2-hydroxypyridinium triiodide","","- C20 H21 I3 N4 O4 -","- C20 H21 I3 N4 O4 -","- C80 H84 I12 N16 O16 -","4","0.5","","Antoniadis, Constantinos D.; Hadjikakou, Sotiris K.; Hadjiliadis, Nick; Kubicki, Maciej; Butler, Ian S.","Synthesis, X-ray characterization and study of new ionic complexes of 2-pyridone, obtained by oxidation with I2","New Journal of Chemistry","2005","29","5","714","","10.1039/b417828a","","","0.71073","MoKα","","0.0703","0.0467","","","0.097","0.1059","","","","","","0.942","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050070","11.2119","0.0016","12.6039","0.0018","23.715","0.003","78.545","0.012","76.688","0.012","86.422","0.012","3195.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","hexakis(2-hydroxypyridine)-bis(2-hydroxypyridinium) di- heptaiodide diiodine iodate","hexakis(2-hydroxypyridine)-bis(2-hydroxypyridinium) di-heptaiodide diiodine iodate","","- C40 H42 I13 N8 O8 -","- C40 H42 I13 N8 O8 -","- C80 H84 I26 N16 O16 -","2","1","","Antoniadis, Constantinos D.; Hadjikakou, Sotiris K.; Hadjiliadis, Nick; Kubicki, Maciej; Butler, Ian S.","Synthesis, X-ray characterization and study of new ionic complexes of 2-pyridone, obtained by oxidation with I2","New Journal of Chemistry","2005","29","5","714","","10.1039/b417828a","","","0.71073","MoKα","","0.2058","0.0699","","","0.1166","0.1576","","","","","","0.772","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050071","24.2866","0.0004","8.1348","0.0002","18.8753","0.0004","90","","128.844","0.0008","90","","2904.48","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Co N9 -","- C11 H13 Co N9 -","- C88 H104 Co8 N72 -","8","1","","Bai, Shi-Qiang; Gao, En-Qing; He, Zheng; Fang, Chen-Jie; Yan, Chun-Hua","Crystal structures and magnetic behaviour of three new azido-bridged dinuclear cobalt(ii) and copper(ii) complexes","New Journal of Chemistry","2005","29","7","935","","10.1039/b418239a","","","0.71073","MoKα","","0.0507","0.0303","","","0.074","0.0802","","","","","","1.016","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050072","24.3949","0.0003","8.0468","0.0001","18.7195","0.0003","90","","128.654","0.0007","90","","2869.64","0.07","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cu N9 -","- C11 H13 Cu N9 -","- C88 H104 Cu8 N72 -","8","1","","Bai, Shi-Qiang; Gao, En-Qing; He, Zheng; Fang, Chen-Jie; Yan, Chun-Hua","Crystal structures and magnetic behaviour of three new azido-bridged dinuclear cobalt(ii) and copper(ii) complexes","New Journal of Chemistry","2005","29","7","935","","10.1039/b418239a","","","0.71073","MoKα","","0.062","0.0324","","","0.0718","0.0775","","","","","","0.974","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050073","12.015","0.0004","6.394","0.0002","19.1148","0.0008","90","","102.01","0.03","90","","1436.33","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cu N8 -","- C13 H12 Cu N8 -","- C52 H48 Cu4 N32 -","4","1","","Bai, Shi-Qiang; Gao, En-Qing; He, Zheng; Fang, Chen-Jie; Yan, Chun-Hua","Crystal structures and magnetic behaviour of three new azido-bridged dinuclear cobalt(ii) and copper(ii) complexes","New Journal of Chemistry","2005","29","7","935","","10.1039/b418239a","","","0.71073","MoKα","","0.0912","0.0467","","","0.0987","0.1128","","","","","","1.048","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050074","16.9935","0.0008","22.1127","0.0011","23.0089","0.0011","69.117","0.001","69.422","0.001","71.419","0.001","7375.6","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","((Eu(H2O)7)0.33(Eu(H2O)4)2(Eu(H2O)6)(4,4-dipyridine-N,N- dioxide)4.5 (p-sulfonatocalix(8)arene-2H)).1.5(4,4-dipyridine-N,N- dioxide).8(H2O)","","","- C113.5 H134 Eu3.33 N11.5 O68.5 S8 -","- C113.5 H84 Eu3.33 N11.5 O68.11 S8 -","- C227 H168 Eu6.66 N23 O136.22 S16 -","2","1","","Dalgarno, Scott J.; Hardie, Michaele J.; Atwood, Jerry L.; Warren, John E.; Raston, Colin L.","A complex 3D ‘wavy brick wall’ coordination polymer based on p-sulfonatocalix[8]arene","New Journal of Chemistry","2005","29","5","649","","10.1039/b418352p","","","0.6903","Synchrotron","","0.0942","0.0699","","","0.1932","0.2147","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050075","9.1235","0.0001","16.8059","0.0003","18.7246","0.0003","90","","76.758","0.001","90","","2794.68","0.07","176","2","176","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Si -","- C28 H48 Si -","- C112 H192 Si4 -","4","1","","Schultz, Madeleine; Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A.","Coordination complexes of bivalent ansa-ytterbocenes: synthesis, structure and comparison with related unbridged ytterbocenes and ansa-ferrocenes","New Journal of Chemistry","2005","29","7","919","","10.1039/b418550a","","","0.71073","MoKα","","0.054","0.0464","","","0.1139","0.1189","","","","","","1.089","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050076","15.5073","0.0002","12.0673","0.0001","32.6681","0.0001","90","","96.81","0.001","90","","6070.09","0.1","159","2","159","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H46 Fe Si5 -","- C24 H46 Fe Si5 -","- C192 H368 Fe8 Si40 -","8","1","","Schultz, Madeleine; Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A.","Coordination complexes of bivalent ansa-ytterbocenes: synthesis, structure and comparison with related unbridged ytterbocenes and ansa-ferrocenes","New Journal of Chemistry","2005","29","7","919","","10.1039/b418550a","","","0.71073","MoKα","","0.0523","0.0423","","","0.0978","0.1034","","","","","","1.169","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050077","31.0159","0.0002","9.9066","0.0002","19.6178","0.0002","90","","117.403","0.001","90","","5351.43","0.13","175","2","175","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 Fe Si -","- C28 H46 Fe Si -","- C224 H368 Fe8 Si8 -","8","1","","Schultz, Madeleine; Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A.","Coordination complexes of bivalent ansa-ytterbocenes: synthesis, structure and comparison with related unbridged ytterbocenes and ansa-ferrocenes","New Journal of Chemistry","2005","29","7","919","","10.1039/b418550a","","","0.71073","MoKα","","0.0491","0.0422","","","0.1051","0.1108","","","","","","1.018","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050078","10.833","0.003","13.688","0.004","22.584","0.004","96.46","0.02","96.06","0.03","106.02","0.02","3165.4","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","cis-nitrosyl-(5-(4'pyridyl)-10,15,20-trisphenyl-porphyrin)- tetrachloro-ruthenate(III) tetrabutylamonium dichloroform solvate","","- C61 H67 Cl10 N7 O Ru -","- C61 H67 Cl10 N7 O Ru -","- C122 H134 Cl20 N14 O2 Ru2 -","2","1","","Gianferrara, Teresa; Serli, Barbara; Zangrando, Ennio; Iengo, Elisabetta; Alessio, Enzo","Pyridylporphyrins peripherally coordinated to ruthenium-nitrosyls, including the water-soluble Na4[Zn·4′TPyP{RuCl4(NO)}4]: synthesis and structural characterization","New Journal of Chemistry","2005","29","7","895","","10.1039/b418855a","","","0.71073","MoKα","","0.1053","0.0666","","","0.1685","0.2005","","","","","","1.046","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050079","16.978","0.004","14.283","0.004","73.283","0.01","90","","91.28","0.03","90","","17766","7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","fac-trichloro-cis-bis(5-(4'pyridyl)-10,15,20-trisphenyl-porphyrin)-nitrosyl- ruthenium(II) chloroform n-hexane solvate","","- C91.5 H67.5 Cl10.5 N11 O Ru -","- C91.5 H67.5 Cl10.5 N11 O Ru -","- C732 H540 Cl84 N88 O8 Ru8 -","8","1","","Gianferrara, Teresa; Serli, Barbara; Zangrando, Ennio; Iengo, Elisabetta; Alessio, Enzo","Pyridylporphyrins peripherally coordinated to ruthenium-nitrosyls, including the water-soluble Na4[Zn·4′TPyP{RuCl4(NO)}4]: synthesis and structural characterization","New Journal of Chemistry","2005","29","7","895","","10.1039/b418855a","","","1","synchrotron","","0.1488","0.113","","","0.2747","0.3129","","","","","","1.176","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050080","38.252","0.006","8.936","0.003","40.475","0.006","90","","103.49","0.03","90","","13453","6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(5,10,15,20-(4'pyridyl)-porphyrin)-tetra-(tetrachloro-nitrosyl-ruthenate(III)) tetra(tetrabutylamonium) bis(nitromethane) diethylether solvate","","- C108 H181 Cl16 N18 O8.5 Ru4 -","- C108 H181 Cl16.41 N17.59 O8.09 Ru4 -","- C432 H724 Cl65.64 N70.36 O32.36 Ru16 -","4","1","","Gianferrara, Teresa; Serli, Barbara; Zangrando, Ennio; Iengo, Elisabetta; Alessio, Enzo","Pyridylporphyrins peripherally coordinated to ruthenium-nitrosyls, including the water-soluble Na4[Zn·4′TPyP{RuCl4(NO)}4]: synthesis and structural characterization","New Journal of Chemistry","2005","29","7","895","","10.1039/b418855a","","","1","synchrotron","","0.0559","0.0549","","","0.1522","0.1541","","","","","","1.108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050081","6.036","0.003","12.342","0.005","5.788","0.003","90","","90","","90","","431.18","","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","C. Wilson; Minakshi Ghosh; L. Johnson; Dean Myles; Wenging Wang.","Neutron diffraction investigations of L- and D-alanine at different temperatures: The search for structural evidence for parity violation","New J.Chem.(Nouv.J.Chim.)","2005","","","","","","","neutron","","neutron","","0.0784","0.0784","","","0.183","0.183","","","","","","1.78","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050082","6.043","0.003","12.337","0.005","5.784","0.003","90","","90","","90","","431.21","","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","C. Wilson; Minakshi Ghosh; L. Johnson; Dean Myles; Wenging Wang.","Neutron diffraction investigations of L- and D-alanine at different temperatures: The search for structural evidence for parity violation","New J.Chem.(Nouv.J.Chim.)","2005","","","","","","","neutron","","neutron","","0.0844","0.0844","","","0.2079","0.2079","","","","","","2.143","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050083","5.942","0.003","12.261","0.005","5.785","0.0003","90","","90","","90","","421.5","0.3","60","1","60","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Wilson, Chick C.; Myles, Dean; Ghosh, Minakshi; Johnson, Louise N.; Wang, Wenging","Neutron diffraction investigations of l- and d-alanine at different temperatures: the search for structural evidence for parity violation","New Journal of Chemistry","2005","29","10","1318","","10.1039/b419295h","","neutron","","neutron","","0.0799","0.0799","","","0.2012","0.2012","","","","","","1.941","","","","has coordinates","209450","2020-10-21","18:00:00",""
"7050084","5.94","0.003","12.274","0.005","5.806","0.003","90","","90","","90","","423.3","0.4","60","1","60","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Wilson, Chick C.; Myles, Dean; Ghosh, Minakshi; Johnson, Louise N.; Wang, Wenging","Neutron diffraction investigations of l- and d-alanine at different temperatures: the search for structural evidence for parity violation","New Journal of Chemistry","2005","29","10","1318","","10.1039/b419295h","","neutron","","neutron","","0.0588","0.0588","","","0.1499","0.1499","","","","","","1.315","","","","has coordinates","209450","2020-10-21","18:00:00",""
"7050085","8.9484","0.0005","6.7152","0.0003","12.4323","0.0007","90","","92.5","0.003","90","","746.35","0.07","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","0.5","","Sergey P. Gromov; Artem I. Vedernikov; Evgeny N. Ushakov; Natalia A. Lobova; Asya A. Botsmanova; Lyudmila G. Kuz'mina; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Dan Johnels; Ulf G. Edlund","Novel supramolecular charge-transfer systems based on bis(18-crown-6)stilbene and viologen analogues bearing two ammonioalkyl groups","New Journal of Chemistry","2005","29","7","881","","10.1039/b500667h","","","0.71073","MoKα","","0.0448","0.0339","","","0.0844","0.0892","","","","","","1.008","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050086","42.7776","0.0015","9.0073","0.0003","8.6096","0.0003","90","","95.988","0.002","90","","3299.3","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 O12 -","- C34 H48 O12 -","- C136 H192 O48 -","4","0.5","","Sergey P. Gromov; Artem I. Vedernikov; Evgeny N. Ushakov; Natalia A. Lobova; Asya A. Botsmanova; Lyudmila G. Kuz'mina; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Dan Johnels; Ulf G. Edlund","Novel supramolecular charge-transfer systems based on bis(18-crown-6)stilbene and viologen analogues bearing two ammonioalkyl groups","New Journal of Chemistry","2005","29","7","881","","10.1039/b500667h","","","0.71073","MoKα","","0.0829","0.0435","","","0.0839","0.0949","","","","","","1.015","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050087","6.0846","0.0002","15.6681","0.0004","8.6321","0.0003","90","","96.589","0.001","90","","817.5","0.04","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H13 Ag B F4 N5 -","- C14 H13 Ag B F4 N5 -","- C28 H26 Ag2 B2 F8 N10 -","2","0.5","","Kennedy, Alan R.; Brown, Karen G.; Graham, Duncan; Kirkhouse, Jennifer B.; Kittner, Madeleine; Major, Claire; McHugh, Callum J.; Murdoch, Paul; Smith, W. Ewen","Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes","New Journal of Chemistry","2005","29","6","826","","10.1039/b500698h","","","0.71073","MoKα","","0.0471","0.0305","","","0.0725","0.0787","","","","","","1.037","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050088","10.4959","0.0015","11.9036","0.0016","8.6632","0.0012","97.956","0.013","110.611","0.009","92.935","0.013","997.5","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16.5 Ag F6 N5 O1.75 Sb -","- C14 H13 Ag F6 N5 O1.748 Sb -","- C28 H26 Ag2 F12 N10 O3.496 Sb2 -","2","1","","Kennedy, Alan R.; Brown, Karen G.; Graham, Duncan; Kirkhouse, Jennifer B.; Kittner, Madeleine; Major, Claire; McHugh, Callum J.; Murdoch, Paul; Smith, W. Ewen","Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes","New Journal of Chemistry","2005","29","6","826","","10.1039/b500698h","","","0.71069","MoKα","","0.0352","0.0307","","","0.0788","0.0804","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050089","6.7441","0.0012","13.452","0.002","15.028","0.002","90","","97.568","0.013","90","","1351.5","0.4","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 Ag N5 O3 -","- C12 H10 Ag N5 O3 -","- C48 H40 Ag4 N20 O12 -","4","1","","Kennedy, Alan R.; Brown, Karen G.; Graham, Duncan; Kirkhouse, Jennifer B.; Kittner, Madeleine; Major, Claire; McHugh, Callum J.; Murdoch, Paul; Smith, W. Ewen","Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes","New Journal of Chemistry","2005","29","6","826","","10.1039/b500698h","","","0.71069","MoKα","","0.0463","0.0347","","","0.0834","0.0862","","","","","","1.046","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050090","6.0509","0.0002","15.8105","0.0004","8.6688","0.0002","90","","97.244","0.001","90","","822.71","0.04","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H13 Ag Cl N5 O4 -","- C14 H13 Ag Cl N5 O4 -","- C28 H26 Ag2 Cl2 N10 O8 -","2","0.5","","Kennedy, Alan R.; Brown, Karen G.; Graham, Duncan; Kirkhouse, Jennifer B.; Kittner, Madeleine; Major, Claire; McHugh, Callum J.; Murdoch, Paul; Smith, W. Ewen","Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes","New Journal of Chemistry","2005","29","6","826","","10.1039/b500698h","","","0.71073","MoKα","","0.0308","0.0253","","","0.0625","0.0653","","","","","","1.025","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050091","7.5292","0.0002","9.7601","0.0003","11.8669","0.0004","75.444","0.001","74.672","0.001","83.659","0.002","813.13","0.04","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Ag B F4 N5 -","- C14 H13 Ag B F4 N5 -","- C28 H26 Ag2 B2 F8 N10 -","2","1","","Kennedy, Alan R.; Brown, Karen G.; Graham, Duncan; Kirkhouse, Jennifer B.; Kittner, Madeleine; Major, Claire; McHugh, Callum J.; Murdoch, Paul; Smith, W. Ewen","Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes","New Journal of Chemistry","2005","29","6","826","","10.1039/b500698h","","","0.71073","MoKα","","0.0446","0.0296","","","0.0529","0.0567","","","","","","1.028","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050092","9.3202","0.0004","14.296","0.0006","13.2368","0.0004","90","","110.178","0.002","90","","1655.45","0.11","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Ag Cl N5 O4 -","- C14 H13 Ag Cl N5 O4 -","- C56 H52 Ag4 Cl4 N20 O16 -","4","1","","Kennedy, Alan R.; Brown, Karen G.; Graham, Duncan; Kirkhouse, Jennifer B.; Kittner, Madeleine; Major, Claire; McHugh, Callum J.; Murdoch, Paul; Smith, W. Ewen","Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes","New Journal of Chemistry","2005","29","6","826","","10.1039/b500698h","","","0.71073","MoKα","","0.0525","0.03","","","0.0619","0.0686","","","","","","1.034","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050093","8.0933","0.0002","8.8628","0.0003","9.3988","0.0004","89.868","0.002","82.849","0.002","72.614","0.002","637.93","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Ag2 N10 O6 -","- C24 H20 Ag2 N10 O6 -","- C24 H20 Ag2 N10 O6 -","1","0.5","","Kennedy, Alan R.; Brown, Karen G.; Graham, Duncan; Kirkhouse, Jennifer B.; Kittner, Madeleine; Major, Claire; McHugh, Callum J.; Murdoch, Paul; Smith, W. Ewen","Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes","New Journal of Chemistry","2005","29","6","826","","10.1039/b500698h","","","0.71073","MoKα","","0.0342","0.0254","","","0.0551","0.0577","","","","","","1.06","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050094","10.4948","0.0003","13.9768","0.0004","14.3519","0.0004","64.474","0.002","88.167","0.002","77.08","0.001","1846.64","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H17.5 Ag Cl N5 O4 -","- C17.5 H17.5 Ag Cl N5 O4 -","- C70 H70 Ag4 Cl4 N20 O16 -","4","2","","Kennedy, Alan R.; Brown, Karen G.; Graham, Duncan; Kirkhouse, Jennifer B.; Kittner, Madeleine; Major, Claire; McHugh, Callum J.; Murdoch, Paul; Smith, W. Ewen","Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes","New Journal of Chemistry","2005","29","6","826","","10.1039/b500698h","","","0.71073","MoKα","","0.0943","0.05","","","0.0963","0.1117","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050095","25.0213","0.0005","9.3011","0.0002","15.9564","0.0004","90","","109.683","0.001","90","","3496.49","0.14","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag N5 O3 -","- C10 H7.97 Ag Cl0.03 N5 O3 -","- C120 H95.64 Ag12 Cl0.36 N60 O36 -","12","1.5","","Kennedy, Alan R.; Brown, Karen G.; Graham, Duncan; Kirkhouse, Jennifer B.; Kittner, Madeleine; Major, Claire; McHugh, Callum J.; Murdoch, Paul; Smith, W. Ewen","Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes","New Journal of Chemistry","2005","29","6","826","","10.1039/b500698h","","","0.71073","MoKα","","0.0458","0.0311","","","0.0595","0.0645","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050096","14.4571","0.0004","16.0168","0.0004","16.1516","0.0005","90","","112.092","0.001","90","","3465.42","0.17","120","1","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 B2 Cl2 F8 N3 O2 Ru -","- C31 H35 B2 Cl2 F8 N3 O2 Ru -","- C124 H140 B8 Cl8 F32 N12 O8 Ru4 -","4","1","","Cédric Fischmeister; Loïc Toupet; Pierre H. Dixneuf","Direct propargylation of furan and arene by propargylic alcohols promoted by bisoxazoline‒ruthenium catalysts","New Journal of Chemistry","2005","29","6","765","","10.1039/b501305d","","","0.71069","MoKα","","0.0826","0.0596","","","0.1546","0.175","","","","","","1.074","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050097","14.7028","0.0012","7.9159","0.0007","28.661","0.002","90","","90","","90","","3335.7","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H52 N16 O9 -","- C16 H52 N16 O9 -","- C64 H208 N64 O36 -","4","1","","Lee, Sang-Ok; Kariuki, Benson M.; Harris, Kenneth D. M.","Hydrogen-bonded chains of α,ω-diaminoalkane and α,ω-dihydroxyalkane guest molecules lead to disrupted tunnel structures in urea inclusion compounds","New Journal of Chemistry","2005","29","10","1266","","10.1039/b502004m","","","1.54178","CuKα","","0.0776","0.06","","","0.1702","0.1928","","","","","","1.033","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050098","14.5312","0.0012","8.0457","0.0007","28.962","0.002","90","","90","","90","","3386.1","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H54 N16 O9 -","- C17 H54 N16 O9 -","- C68 H216 N64 O36 -","4","1","","Lee, Sang-Ok; Kariuki, Benson M.; Harris, Kenneth D. M.","Hydrogen-bonded chains of α,ω-diaminoalkane and α,ω-dihydroxyalkane guest molecules lead to disrupted tunnel structures in urea inclusion compounds","New Journal of Chemistry","2005","29","10","1266","","10.1039/b502004m","","","1.54178","CuKα","","0.0751","0.0542","","","0.1484","0.1705","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050099","8.2121","0.0002","8.2121","0.0002","48.6159","0.0014","90","","90","","120","","2839.34","0.13","296","2","296","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C19 H60 N18 O10 -","- C19 H60 N18 O10 -","- C57 H180 N54 O30 -","3","0.5","","Lee, Sang-Ok; Kariuki, Benson M.; Harris, Kenneth D. M.","Hydrogen-bonded chains of α,ω-diaminoalkane and α,ω-dihydroxyalkane guest molecules lead to disrupted tunnel structures in urea inclusion compounds","New Journal of Chemistry","2005","29","10","1266","","10.1039/b502004m","","","1.54178","CuKα","","0.0773","0.0692","","","0.2056","0.216","","","","","","1.037","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050100","5.2046","0.0003","7.3638","0.0004","14.6064","0.0008","90","","98.604","0.003","90","","553.5","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N4 O4 -","- C6 H18 N4 O4 -","- C12 H36 N8 O8 -","2","0.5","","Lee, Sang-Ok; Kariuki, Benson M.; Harris, Kenneth D. M.","Hydrogen-bonded chains of α,ω-diaminoalkane and α,ω-dihydroxyalkane guest molecules lead to disrupted tunnel structures in urea inclusion compounds","New Journal of Chemistry","2005","29","10","1266","","10.1039/b502004m","","","1.54178","CuKα","","0.0333","0.0316","","","0.0928","0.0956","","","","","","1.136","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050101","30.388","0.004","14.59","0.002","22.348","0.003","90","","98.943","0.003","90","","9788","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H82 Cu3 F24 N26 P4 -","- C94 H82 Cu3 F24 N26 P4 -","- C376 H328 Cu12 F96 N104 P16 -","4","0.5","","Argent, Stephen P.; Adams, Harry; Harding, Lindsay P.; Riis-Johannessen, T.; Jeffery, John C.; Ward, Michael D.","Homo- and heteropolynuclear helicates with a ‘2 + 3 + 2’-dentate compartmental ligand","New Journal of Chemistry","2005","29","7","904","","10.1039/b502423d","","","0.71073","MoKα","","0.1439","0.0707","","","0.173","0.2156","","","","","","1.045","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050102","22.397","0.003","15.0598","0.0019","30.411","0.004","90","","99.856","0.003","90","","10106","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C94 H82 Cu3 F24 N24 O4 P4 -","- C94 H82 Cu3 F24 N24 O4 P4 -","- C376 H328 Cu12 F96 N96 O16 P16 -","4","0.5","","Argent, Stephen P.; Adams, Harry; Harding, Lindsay P.; Riis-Johannessen, T.; Jeffery, John C.; Ward, Michael D.","Homo- and heteropolynuclear helicates with a ‘2 + 3 + 2’-dentate compartmental ligand","New Journal of Chemistry","2005","29","7","904","","10.1039/b502423d","","","0.71073","MoKα","","0.1855","0.085","","","0.2079","0.2689","","","","","","1.031","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050103","30.6701","0.0018","13.781","0.0008","21.3348","0.0013","90","","97.511","0.002","90","","8940.1","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C86 H70 Ag2 B4 F16 Fe N22 -","- C86 H70 Ag2 B4 F16 Fe N22 -","- C344 H280 Ag8 B16 F64 Fe4 N88 -","4","0.5","","Argent, Stephen P.; Adams, Harry; Harding, Lindsay P.; Riis-Johannessen, T.; Jeffery, John C.; Ward, Michael D.","Homo- and heteropolynuclear helicates with a ‘2 + 3 + 2’-dentate compartmental ligand","New Journal of Chemistry","2005","29","7","904","","10.1039/b502423d","","","1.54178","CuKα","","0.0893","0.055","","","0.1248","0.1352","","","","","","0.869","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050104","28.943","0.005","11.5611","0.0019","25.405","0.004","90","","100.848","0.003","90","","8349","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H73 Ag3 B3 F12 N23 O2 -","- C87 H73 Ag3 B3 F12 N23 O2 -","- C348 H292 Ag12 B12 F48 N92 O8 -","4","1","","Argent, Stephen P.; Adams, Harry; Harding, Lindsay P.; Riis-Johannessen, T.; Jeffery, John C.; Ward, Michael D.","Homo- and heteropolynuclear helicates with a ‘2 + 3 + 2’-dentate compartmental ligand","New Journal of Chemistry","2005","29","7","904","","10.1039/b502423d","","","0.71073","MoKα","","0.0546","0.038","","","0.0969","0.1055","","","","","","1.023","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050105","19.066","0.003","28.822","0.004","19.716","0.003","90","","115.093","0.002","90","","9812","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H79 Ag4 B4 F16 N25 -","- C95 H70 Ag4 B4 F16 N22 -","- C380 H280 Ag16 B16 F64 N88 -","4","1","","Argent, Stephen P.; Adams, Harry; Harding, Lindsay P.; Riis-Johannessen, T.; Jeffery, John C.; Ward, Michael D.","Homo- and heteropolynuclear helicates with a ‘2 + 3 + 2’-dentate compartmental ligand","New Journal of Chemistry","2005","29","7","904","","10.1039/b502423d","","","0.71073","MoKα","","0.2475","0.1622","","","0.4759","0.5148","","","","","","1.481","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050106","13.477","0.003","4.9491","0.0009","18.952","0.004","90","","108.357","0.004","90","","1199.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N4 O3 -","- C27 H26 N4 O3 -","- C54 H52 N8 O6 -","2","0.5","","Cai, Ping; Li, Ming-xue; Duan, Chun-Ying; Lu, Feng; Guo, Dong; Meng, Qing-Jin","Syntheses, crystal structure and electrochemical properties of dinuclear ruthenium complexes containing saturated and unsaturated spacers","New Journal of Chemistry","2005","29","8","1011","","10.1039/b502656c","","","0.71073","MoKα","","0.1079","0.0615","","","0.1608","0.1778","","","","","","1.015","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050107","25.242","0.01","15.105","0.006","17.269","0.007","90","","98.179","0.006","90","","6517","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 Cl4 N12 O18 Ru2 -","- C54 H42 Cl4 N12 O19 Ru2 -","- C216 H168 Cl16 N48 O76 Ru8 -","4","0.5","","Cai, Ping; Li, Ming-xue; Duan, Chun-Ying; Lu, Feng; Guo, Dong; Meng, Qing-Jin","Syntheses, crystal structure and electrochemical properties of dinuclear ruthenium complexes containing saturated and unsaturated spacers","New Journal of Chemistry","2005","29","8","1011","","10.1039/b502656c","","","0.71073","MoKα","","0.2314","0.0687","","","0.1416","0.1589","","","","","","1.085","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050108","8.7954","0.0011","9.5631","0.0013","13.9798","0.0018","95.811","0.011","91.078","0.011","115.79","0.013","1050.7","0.3","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H54 N2 O12 -","- C44 H54 N2 O12 -","- C44 H54 N2 O12 -","1","0.5","","Suárez, Stéphane; Mamula, Olimpia; Scopelliti, Rosario; Donnio, Bertrand; Guillon, Daniel; Terazzi, Emmanuel; Piguet, Claude; Bünzli, Jean-Claude G.","Lanthanide luminescent mesomorphic complexes with macrocycles derived from diaza-18-crown-6","New Journal of Chemistry","2005","29","10","1323","","10.1039/b503591k","","","0.71073","MoKα","","0.0561","0.0421","","","0.1111","0.1194","","","","","","0.964","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050109","15.2643","0.0009","19.8739","0.0012","22.2367","0.001","90","","130.901","0.003","90","","5098.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","p-hexanoyl-calix(4)arene.Nitrobenzene","","","- C58 H69 N O10 -","- C58 H69 N O10 -","- C232 H276 N4 O40 -","4","1","","Dubes, Alix; Udachin, Kostantin A.; Shahgaldian, Patrick; Lazar, Adina N.; Coleman, Anthony W.; Ripmeester, John A.","Guest-induced chain folding in amphiphilic calixarene structures","New Journal of Chemistry","2005","29","9","1141","","10.1039/b503629c","","","0.7107","MoKα","","0.104","0.0687","","","0.1802","0.2097","","","","","","1.033","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050110","11.6164","0.0008","13.1","0.0009","15.4081","0.0011","105.165","0.001","90.198","0.001","91.794","0.001","2261.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","p-hexanoyl-calix(4)arene.Methanol","","","- C52.5 H66 O8.5 -","- C52.5 H66 O8.5 -","- C105 H132 O17 -","2","1","","Dubes, Alix; Udachin, Kostantin A.; Shahgaldian, Patrick; Lazar, Adina N.; Coleman, Anthony W.; Ripmeester, John A.","Guest-induced chain folding in amphiphilic calixarene structures","New Journal of Chemistry","2005","29","9","1141","","10.1039/b503629c","","","0.7107","MoKα","","0.0857","0.064","","","0.1796","0.1965","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050111","10.3974","0.0008","15.6582","0.0012","16.6568","0.0012","90.948","0.002","107.931","0.002","100.732","0.002","2527","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","p-hexanoyl-calix(4)arene.Dimethylformamide.Methanol","","","- C55.7 H73.8 N O9.7 -","- C55.7 H73.8 N O9.7 -","- C111.4 H147.6 N2 O19.4 -","2","1","","Dubes, Alix; Udachin, Kostantin A.; Shahgaldian, Patrick; Lazar, Adina N.; Coleman, Anthony W.; Ripmeester, John A.","Guest-induced chain folding in amphiphilic calixarene structures","New Journal of Chemistry","2005","29","9","1141","","10.1039/b503629c","","","0.7107","MoKα","","0.1282","0.0607","","","0.1563","0.179","","","","","","0.945","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050112","10.246","0.0008","15.8637","0.0013","16.5907","0.0014","83.7","0.002","107.745","0.002","99.412","0.002","2528.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","p-hexanoyl-calix(4)arene.Dimehylsulfoxyde.Methanol","","","- C55 H74 O10 S -","- C55 H74 O10 S -","- C110 H148 O20 S2 -","2","1","","Dubes, Alix; Udachin, Kostantin A.; Shahgaldian, Patrick; Lazar, Adina N.; Coleman, Anthony W.; Ripmeester, John A.","Guest-induced chain folding in amphiphilic calixarene structures","New Journal of Chemistry","2005","29","9","1141","","10.1039/b503629c","","","0.7107","MoKα","","0.1253","0.0785","","","0.2272","0.2652","","","","","","1.041","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050113","23.106","0.003","12.3869","0.0012","31.118","0.004","90","","108.952","0.014","90","","8423.5","1.9","103","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H86 Cl2 N2 O7 S16 -","- C71 H86 Cl2 N2 O7 S16 -","- C284 H344 Cl8 N8 O28 S64 -","4","1","","Zhao, Bang-Tun; Blesa, María-Jesús; Mercier, Nicolas; Le Derf, Franck; Sallé, Marc","A calixarene‒amide‒tetrathiafulvalene assembly for the electrochemical detection of anions","New Journal of Chemistry","2005","29","9","1164","","10.1039/b504339e","","x-ray","0.71073","MoKα","","0.2719","0.2311","","","0.4728","0.4906","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050114","9.8773","0.0006","12.154","0.0007","18.643","0.0011","100.878","0.002","93.328","0.002","94.944","0.002","2183.3","0.2","173","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N2 O -","- C25 H30 N2 O -","- C100 H120 N8 O4 -","4","2","","Thompson, Barry C.; Abboud, Khalil A.; Reynolds, John R.; Nakatani, Keitaro; Audebert, Pierre","Electrochromic conjugated N-salicylidene-aniline (anil) functionalized pyrrole and 2,5-dithienylpyrrole-based polymers","New Journal of Chemistry","2005","29","9","1128","","10.1039/b504577k","","","0.71073","MoKα","","0.0987","0.0552","","","0.1225","0.1413","","","","","","1.021","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050115","9.6773","0.0001","10.2288","0.0002","14.8317","0.0003","88.96","0.001","71.712","0.001","75.763","0.001","1348.4","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H44 Cd4 N4 O16 -","- C58 H44 Cd4 N4 O16 -","- C58 H44 Cd4 N4 O16 -","1","0.5","","Wen, Yi-Hang; Zhang, Jian; Wang, Xiao-Qin; Feng, Yun-Long; Cheng, Jian-kai; Li, Zhao-Ji; Yao, Yuan-Gen","A rare metal‒organic 3D architecture with a pseudo-primitive cubic topology with double edges constructed from a 12-connected SBU","New Journal of Chemistry","2005","29","8","995","","10.1039/b504917b","","","0.71073","MoKα","","","0.0383","","","0.0917","0.1006","","","","","","1.196","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050116","7.5196","0.0015","8.1049","0.0016","11.426","0.002","101.53","0.03","96.26","0.03","100.54","0.03","663.1","0.3","293","","293","","","","","","","","","6","P 1","P 1","1","Alex-3","","","- C10 H12 I N O6 S -","- C10 H12 I N O6 S -","- C20 H24 I2 N2 O12 S2 -","2","2","","Koposov, Alexey Y.; Nemykin, Victor N.; Zhdankin, Viktor V.","Intra- and intermolecular interactions in the solid state structure of 2-iodylbenzenesulfonamides: a heptacoordinated organic iodine(v) compound","New Journal of Chemistry","2005","29","8","998","","10.1039/b506573a","","","0.71073","MoKα","","0.0658","0.0654","","0.1524","0.1514","0.1514","","","","","","0.9737","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050117","15.878","0.004","8.135","0.011","13.873","0.006","90","","105.53","0.03","90","","1727","3","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 I N O6 S -","- C13 H18 I N O6 S -","- C52 H72 I4 N4 O24 S4 -","4","2","","Koposov, Alexey Y.; Nemykin, Victor N.; Zhdankin, Viktor V.","Intra- and intermolecular interactions in the solid state structure of 2-iodylbenzenesulfonamides: a heptacoordinated organic iodine(v) compound","New Journal of Chemistry","2005","29","8","998","","10.1039/b506573a","","","0.71073","MoKα","","0.0921","0.0574","","0.1702","0.1261","0.1261","","","","","","0.935","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051555","8.992","0.002","16.534","0.003","23.992","0.005","90","","92.85","0.03","90","","3562.6","1.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H42 F6 O6 S2 Si7 -","- C16 H42 F6 O6 S2 Si7 -","- C64 H168 F24 O24 S8 Si28 -","4","1","","Krempner, C.; Jäger-Fiedler, U.; Mamat, C.; Spannenberg, A.; Weichert, K.","Highly reactive oligosilyltriflates—synthesis, structure and rearrangement","New Journal of Chemistry","2005","29","12","1581","","10.1039/b408573f","","","0.71073","MoKα","","0.0573","0.0455","","0.1209","0.1163","","","","1.017","1.109","1.109","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051556","22.8754","0.0007","16.1015","0.0012","8.7774","0.0016","90","","90.021","0.007","90","","3233","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Decyl-5-octyl 2,6-dimethyl-4-(3'-pyridyl)-1,4-dihydropyridine- 3,5-dicarboxylate","3-Decyl-5-octyl 2,6-dimethyl-4-(3'-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C32 H50 N2 O4 -","- C32 H50 N2 O4 -","- C128 H200 N8 O16 -","4","1","","Suárez, Margarita; de Armas, Merly; Ramírez, Oney; Alvarez, Amaury; Martínez-Alvarez, Roberto; Molero, Dolores; Seoane, Carlos; Liz, Ramón; de Armas, Hector Novoa; Blaton, Norbert M.; Peeters, Oswald M.; Martín, Nazario","Synthesis and structural study of new highly lipophilic 1,4-dihydropyridines","New Journal of Chemistry","2005","29","12","1567","","10.1039/b506018d","","","1.54178","CuKα","","0.2475","0.0856","","","0.2182","0.3405","","","","","","0.968","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051557","6.814","0.001","8.759","0.001","11.015","0.001","67.536","0.002","76.657","0.002","79.036","0.002","587.32","0.12","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N6 O6 S2 -","- C18 H24 N6 O6 S2 -","- C18 H24 N6 O6 S2 -","1","0.5","","Wallace, Karl J.; Morey, Jeroni; Lynch, Vincent M.; Anslyn, Eric V.","Colorimetric detection of chemical warfare simulants","New Journal of Chemistry","2005","29","11","1469","","10.1039/b506100h","","","0.71073","MoKα","","0.0956","0.0583","","","0.1219","0.1393","","","","","","1.041","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051558","39.756","0.0006","8.4865","0.0002","21.6058","0.0004","90","","116.696","0.001","90","","6512.5","0.2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H49 N7 O6 -","- C30 H49 N7 O6 -","- C240 H392 N56 O48 -","8","1","","Wallace, Karl J.; Morey, Jeroni; Lynch, Vincent M.; Anslyn, Eric V.","Colorimetric detection of chemical warfare simulants","New Journal of Chemistry","2005","29","11","1469","","10.1039/b506100h","","","0.71073","MoKα","","0.1725","0.062","","","0.101","0.1261","","","","","","1.08","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051559","14.5678","0.0019","12.3123","0.0016","16.266","0.002","90","","110.806","0.002","90","","2727.3","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-alternate-tetra-t-butyl-25,26,27,28- tetrahydoxycalix(4)areneacid","1,2-alternate-tetra-t-butyl-25,26,27,28-tetrahydoxycalix(4)areneacid","","- C56 H76 O14 -","- C56 H76 O14 -","- C112 H152 O28 -","2","0.5","","Wang, Wei; Gong, Shuling; Chen, Yuanyin; Ma, Jianpin","Fibriform one-dimensional hydrogen-bonded network composed of 1,2-alt calix[4]arene tetra acetic acid","New Journal of Chemistry","2005","29","11","1390","","10.1039/b509092j","","","0.71073","MoKα","","0.0822","0.0657","","","0.1971","0.2152","","","","","","1.056","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051560","8.23","0.003","12.89","0.007","17.337","0.007","90","","90","","90","","1839.2","1.4","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 I K O7 -","- C12 H26 I K O7 -","- C48 H104 I4 K4 O28 -","4","1","","Arnal-Herault, Carole; Barboiu, Mihail; Petit, Eddy; Michau, Mathieu; van der Lee, Arie","Cation‒π interaction: a case for macrocycle‒cation π-interaction by its ureidoarene counteranion","New Journal of Chemistry","2005","29","12","1535","","10.1039/b509240j","","","0.50915","synchrotron","","0.0797","0.0746","","0.0777","0.0769","0.0769","","","","","","0.9855","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051561","8.7154","0.0009","10.755","0.001","32.742","0.003","90","","90","","90","","3069","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 I K N3 O7 -","- C27 H37 I K N3 O7 -","- C108 H148 I4 K4 N12 O28 -","4","1","","Arnal-Herault, Carole; Barboiu, Mihail; Petit, Eddy; Michau, Mathieu; van der Lee, Arie","Cation‒π interaction: a case for macrocycle‒cation π-interaction by its ureidoarene counteranion","New Journal of Chemistry","2005","29","12","1535","","10.1039/b509240j","","","0.71073","MoKα","","0.0788","0.0317","","0.0387","0.0299","0.0299","","","","","","0.9194","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051562","8.277","0.0011","10.576","0.0013","34.165","0.005","90","","90","","90","","2990.7","0.7","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 I K N2 O9 -","- C25 H38 I K N2 O9 -","- C100 H152 I4 K4 N8 O36 -","4","1","","Arnal-Herault, Carole; Barboiu, Mihail; Petit, Eddy; Michau, Mathieu; van der Lee, Arie","Cation‒π interaction: a case for macrocycle‒cation π-interaction by its ureidoarene counteranion","New Journal of Chemistry","2005","29","12","1535","","10.1039/b509240j","","","0.50915","synchrotron","","0.0258","0.0243","","0.0224","0.0219","0.0219","","","","","","1.0811","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051563","60.749","0.002","4.9282","0.0001","19.1272","0.0007","90","","95.986","0.0011","90","","5695.1","0.3","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 N3 O2 S -","- C36 H29 N3 O2 S -","- C288 H232 N24 O16 S8 -","8","1","","Constable, Edwin C.; Hermann, B. A.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Scherer, Lukas J.","2,2′:6′,2″-Terpyridine-4′(1′H)-thione: a missing link in metallosupramolecular chemistry","New Journal of Chemistry","2005","29","11","1475","","10.1039/b510792j","","","0.71073","MoKα","","0.0575","0.0472","","0.0376","0.0365","0.0365","","","","","","1.157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051564","7.8119","0.0003","17.828","0.0006","11.3151","0.0005","90","","92.703","0.002","90","","1574.11","0.11","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl2 N3 S -","- C16 H13 Cl2 N3 S -","- C64 H52 Cl8 N12 S4 -","4","0.5","","Constable, Edwin C.; Hermann, B. A.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Scherer, Lukas J.","2,2′:6′,2″-Terpyridine-4′(1′H)-thione: a missing link in metallosupramolecular chemistry","New Journal of Chemistry","2005","29","11","1475","","10.1039/b510792j","","","0.71073","MoKα","","0.0829","0.0351","","0.0886","0.0372","0.0372","","","","","","1.1341","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051565","11.5557","0.0004","5.5221","0.0002","22.651","0.0009","90","","120.567","0.0015","90","","1244.54","0.08","173","","173","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 N6 S2 -","- C30 H20 N6 S2 -","- C60 H40 N12 S4 -","2","0.5","","Constable, Edwin C.; Hermann, B. A.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Scherer, Lukas J.","2,2′:6′,2″-Terpyridine-4′(1′H)-thione: a missing link in metallosupramolecular chemistry","New Journal of Chemistry","2005","29","11","1475","","10.1039/b510792j","","","0.71073","MoKα","","0.1003","0.0485","","0.0746","0.0465","0.0465","","","","","","1.0807","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051566","25.4086","0.0009","20.1144","0.0008","34.5052","0.0011","90","","91.118","0.002","90","","17631.5","1.1","153","","153","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C138 H123.5 B8 F32 Fe4 N29.5 O7 S8 -","- C138 H114.5 B8 F32 Fe4 N29.5 O7 S8 -","- C552 H458 B32 F128 Fe16 N118 O28 S32 -","4","1","","Constable, Edwin C.; Hermann, B. A.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Scherer, Lukas J.","2,2′:6′,2″-Terpyridine-4′(1′H)-thione: a missing link in metallosupramolecular chemistry","New Journal of Chemistry","2005","29","11","1475","","10.1039/b510792j","","","0.71073","MoKα","","0.2783","0.1621","","0.2587","0.1601","0.1601","","","","","","1.1801","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051567","12.0889","0.0004","10.0599","0.0004","31.2347","0.0011","90","","98.449","0.002","90","","3757.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C176 H140 N24 O18 Zn4 -","- C176 H84 N24 O18 Zn4 -","- C176 H84 N24 O18 Zn4 -","1","0.25","","Deiters, Emmanuel; Bulach, Véronique; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: coordination networks based on porphyrins bearing pyridine N-oxide groups as coordinating sites","New Journal of Chemistry","2005","29","12","1508","","10.1039/b511049c","","","0.71073","MoKα","","0.1401","0.0774","","","0.188","0.2141","","","","","","1.138","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051568","11.3493","0.0015","13.7663","0.0017","22.097","0.004","90","","100.786","0.006","90","","3391.4","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 N6 O Zn -","- C43 H21 N6 O Zn -","- C172 H84 N24 O4 Zn4 -","4","1","","Deiters, Emmanuel; Bulach, Véronique; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: coordination networks based on porphyrins bearing pyridine N-oxide groups as coordinating sites","New Journal of Chemistry","2005","29","12","1508","","10.1039/b511049c","","","0.71073","MoKα","","0.1389","0.0679","","","0.1573","0.1821","","","","","","1.072","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051569","37.961","0.002","9.2045","0.0005","24.5855","0.0016","90","","118.492","0.004","90","","7550","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.25 H31.5 N6 O3.5 Zn -","- C43.25 H25 N6 O3.5 Zn -","- C346 H200 N48 O28 Zn8 -","8","1","","Deiters, Emmanuel; Bulach, Véronique; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: coordination networks based on porphyrins bearing pyridine N-oxide groups as coordinating sites","New Journal of Chemistry","2005","29","12","1508","","10.1039/b511049c","","","0.71073","MoKα","","0.155","0.0866","","","0.2546","0.2922","","","","","","1.206","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051570","8.6759","0.0002","17.6854","0.0004","17.4137","0.0005","90","","102.146","0.002","90","","2612.09","0.11","123","2","123","2","","","","","","","","4","P 1 n 1","P -2yac","7","[Li{N(2,6-Me2C6H3)C(H)N(2,6-Me2C6H3)}(PMDETA)]","","","- C52 H84 Li2 N10 -","- C52 H84 Li2 N10 -","- C104 H168 Li4 N20 -","2","1","","Cole, Marcus L.; Davies, Aaron J.; Jones, Cameron; Junk, Peter C.","Bulky formamidinate complexes of lithium: the first examples of η2:η1-C=N,N' metal amidinate coordination","New Journal of Chemistry","2005","29","11","1404","","10.1039/b511519a","","x-ray","0.71073","MoKα","","0.0901","0.0559","","","0.1228","0.1371","","","","","","1.015","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051571","13.889","0.003","15.094","0.003","15.379","0.003","90","","111.31","0.03","90","","3003.6","1.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Li{N(2,6-Et2C6H3)C(H)N(2,6-Et2C6H3)}(PMDETA)]","","","- C30 H50 Li N5 -","- C30 H50 Li N5 -","- C120 H200 Li4 N20 -","4","1","","Cole, Marcus L.; Davies, Aaron J.; Jones, Cameron; Junk, Peter C.","Bulky formamidinate complexes of lithium: the first examples of η2:η1-C=N,N' metal amidinate coordination","New Journal of Chemistry","2005","29","11","1404","","10.1039/b511519a","","x-ray","0.71073","MoKα","","0.3643","0.0924","","","0.1932","0.2948","","","","","","0.869","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051572","10.981","0.005","12.583","0.005","17.066","0.005","90","","97.946","0.005","90","","2335.4","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl2 Fe N5 -","- C25 H21 Cl2 Fe N5 -","- C100 H84 Cl8 Fe4 N20 -","4","1","","Thallaj, Nasser K.; Machkour, Ahmed; Mandon, Dominique; Welter, Richard","Square pyramidal geometry around the metal and tridentate coordination mode of the tripod in the [6-(3′-cyanophenyl)-2-pyridylmethyl]bis(2-pyridylmethyl)amine FeCl2 complex: a solid state effect","New Journal of Chemistry","2005","29","12","1555","","10.1039/b512108f","","","0.71069","MoKα","","0.1147","0.0499","","","0.1016","0.1204","","","","","","0.853","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051573","21.396","0.005","11.286","0.005","22.693","0.005","90","","90.656","0.005","90","","5479","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 Cl6 Fe3 N10 O -","- C54 H52 Cl6 Fe3 N10 O -","- C216 H208 Cl24 Fe12 N40 O4 -","4","0.5","","Thallaj, Nasser K.; Machkour, Ahmed; Mandon, Dominique; Welter, Richard","Square pyramidal geometry around the metal and tridentate coordination mode of the tripod in the [6-(3′-cyanophenyl)-2-pyridylmethyl]bis(2-pyridylmethyl)amine FeCl2 complex: a solid state effect","New Journal of Chemistry","2005","29","12","1555","","10.1039/b512108f","","","0.71069","MoKα","","0.0972","0.0503","","","0.1122","0.1387","","","","","","1.067","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7052402","13.5851","0.0012","16.1634","0.0015","48.468","0.005","90","","95.559","0.001","90","","10592.6","1.7","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex 4","","","- C88 H86 Ag8 N32 O35 -","- C88 H86 Ag8 N32 O35 -","- C352 H344 Ag32 N128 O140 -","4","1","","Sumby, Christopher J.; Steel, Peter J.","An investigation of the coordination chemistry of the hexadentate ligand di-2-pyridylketone azine; the formation of a discrete tetranuclear complex with silver nitrate","New Journal of Chemistry","2005","29","8","1077","","10.1039/b400879k","","","0.71073","MoKα","","0.1086","0.0487","","","0.0881","0.099","","","","","","1.023","","","","has coordinates,has disorder","180078","2020-10-21","18:00:00",""
"7052403","7.03","0.003","9.039","0.004","9.806","0.004","76.783","0.006","75.962","0.006","68.6","0.006","556","0.4","168","2","168","2","","","","","","","","5","P -1","-P 1","2","Complex 5","","","- C22 H16 Cu N10 O6 -","- C22 H16 Cu N10 O6 -","- C22 H16 Cu N10 O6 -","1","0.5","","Sumby, Christopher J.; Steel, Peter J.","An investigation of the coordination chemistry of the hexadentate ligand di-2-pyridylketone azine; the formation of a discrete tetranuclear complex with silver nitrate","New Journal of Chemistry","2005","29","8","1077","","10.1039/b400879k","","","0.71073","MoKα","","0.0414","0.0295","","","0.0661","0.0678","","","","","","0.989","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052404","11.9524","0.0008","11.9524","0.0008","7.6116","0.0004","90","","90","","90","","1087.39","0.12","293","2","293","2","","","","","","","","2","P -4 21 c","P -4 2n","114","","","","- C6 S8 -","- C6 S8 -","- C24 S32 -","4","0.5","","Beck, Johannes; Weber, Johannes; Mukhopadhyay, Atashi Basu; Dolg, Michael","Bent and planar molecules in polymorphs of the tricyclic carbon sulfide C6S8","New Journal of Chemistry","2005","29","3","465","","10.1039/b402881c","","","1.54184","CuKα","","0.0478","0.0346","","","0.0787","0.0849","","","","","","1.042","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052405","12.303","0.0003","17.02","0.0004","16.877","0.0006","90","","96.651","0.0011","90","","3510.21","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H100 F6 N8 O8 S2 -","- C54 H100 F6 N8 O7.98 S2 -","- C108 H200 F12 N16 O15.96 S4 -","2","0.5","","Taquet, Jean-philippe; Siri, Olivier; Collin, Jean-Paul; Messaoudi, Abdellatif; Braunstein, Pierre","One-electron oxidation-induced dimerising C?C coupling of a 2,5-diamino-1,4-benzoquinonediimine: a chemical and electrochemical investigation","New Journal of Chemistry","2005","29","1","188","","10.1039/b408762c","","","0.71073","MoKα","","0.2167","0.1451","","","0.382","0.4187","","","","","","1.33","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052406","10.922","0.003","11.627","0.002","15.562","0.004","80.772","0.009","77.567","0.013","77.758","0.011","1872.3","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Li(N,N'-Dipamidine)(THF)2]","","","- C40 H57 Li N2 O2 -","- C40 H57 Li N2 O2 -","- C80 H114 Li2 N4 O4 -","2","1","","René T. Boeré; Marcus L. Cole; Peter C. Junk","The syntheses and structures of some main group complexes of the sterically hindered N,N?-bis(2,6-diisopropylphenyl)-4-toluamidinate ligand","New Journal of Chemistry","2005","29","1","128","","10.1039/b409086a","","x-ray","0.71073","MoKα","","0.2305","0.0719","","","0.1563","0.2172","","","","","","0.893","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052407","23.409","0.0011","10.6758","0.0004","25.0402","0.0012","90","","114.337","0.003","90","","5701.7","0.5","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Mg(N,N'-Dipamidine)2]","","","- C32 H41 Mg0.5 N2 -","- C32 H41 Mg0.5 N2 -","- C256 H328 Mg4 N16 -","8","1","","René T. Boeré; Marcus L. Cole; Peter C. Junk","The syntheses and structures of some main group complexes of the sterically hindered N,N?-bis(2,6-diisopropylphenyl)-4-toluamidinate ligand","New Journal of Chemistry","2005","29","1","128","","10.1039/b409086a","","x-ray","0.71073","MoKα","","0.2285","0.0666","","","0.1387","0.1947","","","","","","0.908","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052408","15.2283","0.0004","15.2283","0.0004","12.091","0.0002","90","","90","","120","","2428.26","0.1","123","2","123","2","","","","","","","","4","P 31","P 31","144","[Al(N,N'-Dipamidine)(Me)2]","","","- C34 H47 Al N2 -","- C34 H47 Al N2 -","- C102 H141 Al3 N6 -","3","1","","René T. Boeré; Marcus L. Cole; Peter C. Junk","The syntheses and structures of some main group complexes of the sterically hindered N,N?-bis(2,6-diisopropylphenyl)-4-toluamidinate ligand","New Journal of Chemistry","2005","29","1","128","","10.1039/b409086a","","x-ray","0.71073","MoKα","","0.0783","0.0477","","","0.0946","0.1117","","","","","","1.063","","","","has coordinates,has disorder","180078","2020-10-21","18:00:00",""
"7052409","19.947","0.005","11.67","0.002","20.004","0.007","90","","101.878","0.01","90","","4557","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H34 Mo N O4 P3 -","- C14.5 H30 Mo N O4 P3 -","- C116 H240 Mo8 N8 O32 P24 -","8","1","","Leopoldo Contreras; Margarita Paneque; Murielle Sellin; Ernesto Carmona; Pedro J. Pérez; Enrique Gutiérrez-Puebla; Angeles Monge; Caridad Ruiz","Novel carbon dioxide and carbonyl carbonate complexes of molybdenum. The X-ray structures of trans-[Mo(CO2)2{HN(CH2CH2PMe2)2}(PMe3)] and [Mo3(µ2-CO3)(µ2-O)2(O)2(CO)2(H2O)(PMe3)6]·H2O","New Journal of Chemistry","2005","29","1","109","","10.1039/b409385b","","","0.71073","MoKα","","0.2355","0.0645","","","0.1734","0.2384","","","","","","0.911","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052410","9.7692","0.001","16.3332","0.001","24.6818","0.001","90","","98.993","0.01","90","","3889.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H58 Mo3 O11 P6 -","- C21 H58 Mo3 O11 P6 -","- C84 H232 Mo12 O44 P24 -","4","1","","Leopoldo Contreras; Margarita Paneque; Murielle Sellin; Ernesto Carmona; Pedro J. Pérez; Enrique Gutiérrez-Puebla; Angeles Monge; Caridad Ruiz","Novel carbon dioxide and carbonyl carbonate complexes of molybdenum. The X-ray structures of trans-[Mo(CO2)2{HN(CH2CH2PMe2)2}(PMe3)] and [Mo3(µ2-CO3)(µ2-O)2(O)2(CO)2(H2O)(PMe3)6]·H2O","New Journal of Chemistry","2005","29","1","109","","10.1039/b409385b","","","0.71073","MoKα","","0.076","0.0327","","","0.0889","0.1038","","","","","","1.065","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052411","28.259","0.003","8.4639","0.0007","16.7535","0.0015","90","","100.473","0.001","90","","3940.4","0.6","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cl2 O3 Re -","- C19 H21 Cl2 O3 Re -","- C152 H168 Cl16 O24 Re8 -","8","2","","Alvaro Aballay; Eric Clot; Odile Eisenstein; Maria Teresa Garland; Fernando Godoy; A. Hugo Klahn; Juan Carlos Muñoz; Beatriz Oelckers","Selectivity in C?Cl bond activation of dichloroarenes by photogenerated Cp*Re(CO)2: combined experimental and DFT studies","New Journal of Chemistry","2005","29","1","226","","10.1039/b410265g","","","0.71073","MoKα","","0.0649","0.0434","","","0.0997","0.1108","","","","","","0.917","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052412","14.0448","0.0012","8.5444","0.0007","15.8837","0.0014","90","","90","","90","","1906.1","0.3","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 Cl2 O2 Re -","- C19 H21 Cl2 O2 Re -","- C76 H84 Cl8 O8 Re4 -","4","1","","Alvaro Aballay; Eric Clot; Odile Eisenstein; Maria Teresa Garland; Fernando Godoy; A. Hugo Klahn; Juan Carlos Muñoz; Beatriz Oelckers","Selectivity in C?Cl bond activation of dichloroarenes by photogenerated Cp*Re(CO)2: combined experimental and DFT studies","New Journal of Chemistry","2005","29","1","226","","10.1039/b410265g","","","0.71073","MoKα","","0.0373","0.0287","","","0.0546","0.0579","","","","","","0.985","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052413","12.007","0.003","13.152","0.004","16.196","0.005","90","","102.99","0.02","90","","2492.2","1.3","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 N3 O2 -","- C30 H33 N3 O2 -","- C120 H132 N12 O8 -","4","1","","Ooyama, Yousuke; Nakamura, Takato; Yoshida, Katsuhira","Heterocyclic quinol-type fluorophores. Synthesis of novel imidazoanthraquinol derivatives and their photophysical properties in benzene and in the crystalline state","New Journal of Chemistry","2005","29","3","447","","10.1039/b410311d","","","0.7107","MoKα","","0.2316","0.0763","","","0.149","0.2316","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052414","11.224","0.002","11.907","0.002","12.51","0.002","77.529","0.005","89.453","0.005","76.548","0.005","1586.2","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H54 O2 P2 Ru -","- C30 H54 O2 P2 Ru -","- C60 H108 O4 P4 Ru2 -","2","1","","Ferrando-Miguel, German; Wu, Peng; Huffman, John C.; Caulton, Kenneth G.","New d4 dihydrides of Ru(iv) and Os(iv) with ?-donor ligands: M(H)2(chelate)(PiPr3)2 with chelate =ortho-XYC6H4 with X, Y = O, NR; R = H or CH3","New Journal of Chemistry","2005","29","1","193","","10.1039/b411487f","","","0.71073","MoKα","","","0.0351","","","","0.0346","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052415","8.9882","0.0003","21.8475","0.0009","14.1438","0.0006","90","","97.422","0.001","90","","2754.14","0.19","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H52 N2 Os P2 -","- C25 H50 N2 Os P2 -","- C100 H200 N8 Os4 P8 -","4","2","","Ferrando-Miguel, German; Wu, Peng; Huffman, John C.; Caulton, Kenneth G.","New d4 dihydrides of Ru(iv) and Os(iv) with ?-donor ligands: M(H)2(chelate)(PiPr3)2 with chelate =ortho-XYC6H4 with X, Y = O, NR; R = H or CH3","New Journal of Chemistry","2005","29","1","193","","10.1039/b411487f","","","0.71073","MoKα","","0.0389","0.0322","","","0.0674","0.0698","","","","","","1.032","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052416","11.174","0.002","14.01","0.003","17.346","0.004","93.49","0.03","97.46","0.03","109.51","0.03","2522.1","1.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Ca(DippForm)2(THF)]","","","- C54 H78 Ca N4 O -","- C54 H78 Ca N4 O -","- C108 H156 Ca2 N8 O2 -","2","1","","Cole, Marcus L.; Junk, Peter C.","N,N?-Bis(2,6-diisopropylphenyl)formamidinate complexes of the heavy alkaline earths","New Journal of Chemistry","2005","29","1","135","","10.1039/b411494a","","x-ray","0.71073","MoKα","","0.2771","0.082","","","0.1437","0.2012","","","","","","0.947","","","","has coordinates,has disorder","180078","2020-10-21","18:00:00",""
"7052417","12.0689","0.0003","12.7964","0.0005","19.6889","0.0007","84.466","0.003","86.449","0.003","64.201","0.001","2724.21","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Sr(DippForm)2(THF)2]","","","- C58 H86 N4 O2 Sr -","- C58 H86 N4 O2 Sr -","- C116 H172 N8 O4 Sr2 -","2","1","","Cole, Marcus L.; Junk, Peter C.","N,N?-Bis(2,6-diisopropylphenyl)formamidinate complexes of the heavy alkaline earths","New Journal of Chemistry","2005","29","1","135","","10.1039/b411494a","","x-ray","0.71073","MoKα","","0.143","0.0723","","","0.1359","0.1658","","","","","","1.038","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052418","11.9811","0.0004","12.8483","0.0004","20.3537","0.0009","84.463","0.001","86.001","0.001","63.451","0.003","2788.47","0.19","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Ba(DippForm)2(THF)2]","","","- C58 H86 Ba N4 O2 -","- C58 H86 Ba N4 O2 -","- C116 H172 Ba2 N8 O4 -","2","1","","Cole, Marcus L.; Junk, Peter C.","N,N?-Bis(2,6-diisopropylphenyl)formamidinate complexes of the heavy alkaline earths","New Journal of Chemistry","2005","29","1","135","","10.1039/b411494a","","x-ray","0.71073","MoKα","","0.1428","0.0533","","","0.0913","0.1138","","","","","","0.953","","","","has coordinates,has disorder","180078","2020-10-21","18:00:00",""
"7052419","9.4525","0.0004","11.418","0.0005","14.3724","0.0007","110.256","0.003","91.904","0.002","106.104","0.001","1383.7","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","DippN(4-HC6F4)C(H)NDipp","","","- C31 H36 F4 N2 -","- C31 H36 F4 N2 -","- C62 H72 F8 N4 -","2","1","","Cole, Marcus L.; Junk, Peter C.","N,N?-Bis(2,6-diisopropylphenyl)formamidinate complexes of the heavy alkaline earths","New Journal of Chemistry","2005","29","1","135","","10.1039/b411494a","","x-ray","0.71073","MoKα","","0.0785","0.049","","","0.1425","0.1659","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052420","10.0686","0.0007","17.8421","0.0012","12.4515","0.0008","90","","113.427","0.001","90","","2052.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H74 N2 O8 Ti2 -","- C30 H74 N2 O8 Ti2 -","- C60 H148 N4 O16 Ti4 -","2","0.5","","Fric, Helmut; Schubert, Ulrich","Amine adducts of titanium tetraalkoxides","New Journal of Chemistry","2005","29","1","232","","10.1039/b411688g","","","0.71073","MoKα","","0.0418","0.0383","","","0.1128","0.1156","","","","","","1.084","","","","has coordinates","275164","2022-05-07","00:11:35",""
"7052421","9.394","0.006","12.441","0.009","14.435","0.009","100.633","0.014","95.931","0.016","111.947","0.012","1510.2","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H110 N2 O14 Si2 Ti2 -","- C46 H110 N2 O14 Si2 Ti2 -","- C46 H110 N2 O14 Si2 Ti2 -","1","0.5","","Fric, Helmut; Schubert, Ulrich","Amine adducts of titanium tetraalkoxides","New Journal of Chemistry","2005","29","1","232","","10.1039/b411688g","","","0.71073","MoKα","","0.2755","0.1158","","","0.2523","0.291","","","","","","0.829","","","","has coordinates","275164","2022-05-07","00:11:35",""
"7052422","9.6481","0.0011","9.8787","0.0011","12.2188","0.0014","78.936","0.002","82.489","0.002","78.503","0.002","1114.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H79 N2 O8 Ti2 -","- C37 H79 N2 O8 Ti2 -","- C37 H79 N2 O8 Ti2 -","1","0.5","","Fric, Helmut; Schubert, Ulrich","Amine adducts of titanium tetraalkoxides","New Journal of Chemistry","2005","29","1","232","","10.1039/b411688g","","","0.71073","MoKα","","0.0401","0.0368","","","0.0986","0.1006","","","","","","1.038","","","","has coordinates","275164","2022-05-07","00:11:35",""
"7052423","18.061","0.002","20.378","0.002","25.193","0.004","69.128","0.015","69.681","0.015","69.84","0.018","7862","2","150","","150","","","","","","","","see text","5","P -1","-P 1","2","","","","- C200 H307.1 N16 O65.55 S32 -","- C200 H307.104 N16 O65.552 S32 -","- C200 H307.104 N16 O65.552 S32 -","1","0.5","","Corbellini, Francesca; van Leeuwen, Fijs W. B.; Beijleveld, Hans; Kooijman, Huub; Spek, Anthony L.; Verboom, Willem; Crego-Calama, Mercedes; Reinhoudt, David N.","Multiple ionic interactions for noncovalent synthesis of molecular capsules in polar solvents","New Journal of Chemistry","2005","29","1","243","","10.1039/b412409j","","x-ray","0.71073","MoKα","","0.1427","0.0995","","","0.2518","0.2676","","","","","","1.282","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052424","16.374","0.005","17.289","0.005","9.688","0.002","98.63","0.02","106.33","0.02","74.81","0.02","2531.3","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Compound 1","","- C24 H10 N2 O10 Os3 -","- C24 H10 N2 O10 Os3 -","- C96 H40 N8 O40 Os12 -","4","2","","Clarke, Lionel P.; Cole, Jacqueline M.; Davies, John E.; French, Alexandra; Koentjoro, Olivia F.; Raithby, Paul R.; Shields, Gregory P.","Molecular rearrangements of diynes coordinated to triosmium carbonyl clusters: reactions of [Os3(�-H)2(CO)10] and [Os3(CO)10(MeCN)2] with 1,4-dipyridylbuta-1,3-diyne","New Journal of Chemistry","2005","29","1","145","","10.1039/b412578a","","","0.71073","MoKα","","0.0529","0.0399","","0.1052","0.0977","","","","1.024","1.047","1.047","","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052425","21.296","0.002","13.576","0.002","18.931","0.002","90","","107.15","0.01","90","","5229.9","1.1","293","2","293","2","","","","","","","CH2Cl2/CDCl3 evaporation","5","P 1 21/c 1","-P 2ybc","14","","Compound 2","","- C24 H10 N2 O10 Os3 -","- C24 H10 N2 O10 Os3 -","- C192 H80 N16 O80 Os24 -","8","2","","Clarke, Lionel P.; Cole, Jacqueline M.; Davies, John E.; French, Alexandra; Koentjoro, Olivia F.; Raithby, Paul R.; Shields, Gregory P.","Molecular rearrangements of diynes coordinated to triosmium carbonyl clusters: reactions of [Os3(�-H)2(CO)10] and [Os3(CO)10(MeCN)2] with 1,4-dipyridylbuta-1,3-diyne","New Journal of Chemistry","2005","29","1","145","","10.1039/b412578a","","","0.71073","MoKα","","0.0808","0.0448","","0.0955","0.0833","","","","1.051","1.111","1.111","","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052426","10.25","0.005","14.515","0.004","8.843","0.002","107.27","0.02","102.64","0.04","85.36","0.03","1225.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Compound 3","","- C23 H10 N2 O9 Os3 -","- C23 H10 N2 O9 Os3 -","- C46 H20 N4 O18 Os6 -","2","1","","Clarke, Lionel P.; Cole, Jacqueline M.; Davies, John E.; French, Alexandra; Koentjoro, Olivia F.; Raithby, Paul R.; Shields, Gregory P.","Molecular rearrangements of diynes coordinated to triosmium carbonyl clusters: reactions of [Os3(�-H)2(CO)10] and [Os3(CO)10(MeCN)2] with 1,4-dipyridylbuta-1,3-diyne","New Journal of Chemistry","2005","29","1","145","","10.1039/b412578a","","","0.71073","MoKα","","0.0982","0.0406","","0.1068","0.0891","","","","1.012","1.056","1.056","","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052427","11.258","0.002","12.994","0.003","8.381","0.002","104.69","0.03","103.26","0.03","85.71","0.03","1154.2","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Compound 6 . 2 dichloromethane","","- C36 H12 Cl4 N2 O20 Os6 -","- C36 H12 Cl4 N2 O20 Os6 -","- C36 H12 Cl4 N2 O20 Os6 -","1","0.5","","Clarke, Lionel P.; Cole, Jacqueline M.; Davies, John E.; French, Alexandra; Koentjoro, Olivia F.; Raithby, Paul R.; Shields, Gregory P.","Molecular rearrangements of diynes coordinated to triosmium carbonyl clusters: reactions of [Os3(�-H)2(CO)10] and [Os3(CO)10(MeCN)2] with 1,4-dipyridylbuta-1,3-diyne","New Journal of Chemistry","2005","29","1","145","","10.1039/b412578a","","","0.71073","MoKα","","0.0782","0.0379","","0.1484","0.0882","","","","1.037","1.077","1.077","","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052428","8.784","0.0006","28.201","0.003","16.797","0.0009","90","","97.085","0.005","90","","4129.1","0.6","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Compound 6","","- C34 H8 N2 O20 Os6 -","- C34 H8 N2 O20 Os6 -","- C136 H32 N8 O80 Os24 -","4","2","","Clarke, Lionel P.; Cole, Jacqueline M.; Davies, John E.; French, Alexandra; Koentjoro, Olivia F.; Raithby, Paul R.; Shields, Gregory P.","Molecular rearrangements of diynes coordinated to triosmium carbonyl clusters: reactions of [Os3(�-H)2(CO)10] and [Os3(CO)10(MeCN)2] with 1,4-dipyridylbuta-1,3-diyne","New Journal of Chemistry","2005","29","1","145","","10.1039/b412578a","","","0.71073","MoKα","","0.0692","0.0495","","","0.1029","0.1116","","","","","","0.986","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052429","11.211","0.004","19.277","0.004","19.435","0.003","90","","105.13","0.02","90","","4054.6","1.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Compound 7","","- C34 H10 N2 O20 Os6 -","- C34 H10 N2 O20 Os6 -","- C136 H40 N8 O80 Os24 -","4","1","","Clarke, Lionel P.; Cole, Jacqueline M.; Davies, John E.; French, Alexandra; Koentjoro, Olivia F.; Raithby, Paul R.; Shields, Gregory P.","Molecular rearrangements of diynes coordinated to triosmium carbonyl clusters: reactions of [Os3(�-H)2(CO)10] and [Os3(CO)10(MeCN)2] with 1,4-dipyridylbuta-1,3-diyne","New Journal of Chemistry","2005","29","1","145","","10.1039/b412578a","","","0.71073","MoKα","","0.1858","0.0636","","0.1995","0.1342","","","","1.023","1.103","1.103","","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052430","12.1071","0.0007","31.5677","0.0017","8.0986","0.0004","90","","108.907","0.001","90","","2928.2","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ni-3B","","","- C36 H32 N4 Ni -","- C36 H32 N4 Ni -","- C144 H128 N16 Ni4 -","4","1","","Hubert S. Gill; Isaac Finger; Ivana Božidarevič; Florence Szydlo; Michael J. Scott","Preparation of α,β-unsubstituted meso-arylbidipyrrins via metal-templated, oxidative coupling of dipyrrins","New Journal of Chemistry","2005","29","1","68","","10.1039/b412620c","","","0.71073","MoKα","","0.0477","0.0392","","","0.0951","0.099","","","","","","1.079","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052431","30.6299","0.0016","8.0062","0.0004","26.695","0.0014","90","","116.586","0.001","90","","5854.2","0.5","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ni-2B","","","- C36 H34 N4 Ni -","- C36 H34 N4 Ni -","- C288 H272 N32 Ni8 -","8","1","","Hubert S. Gill; Isaac Finger; Ivana Božidarevič; Florence Szydlo; Michael J. Scott","Preparation of α,β-unsubstituted meso-arylbidipyrrins via metal-templated, oxidative coupling of dipyrrins","New Journal of Chemistry","2005","29","1","68","","10.1039/b412620c","","","0.71073","MoKα","","0.0437","0.0347","","","0.0867","0.0913","","","","","","1.05","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052432","8.778","0.001","5.62","0.001","15.635","0.002","90","","98.504","0.005","90","","762.83","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","","Siri, Olivier; Braunstein, Pierre","Tuning the synthesis of a dinitroaromatic towards a new trinitroaromatic stabilized energetic material","New Journal of Chemistry","2005","29","1","75","","10.1039/b412789g","","","0.71069","MoKα","","0.0733","0.0489","","","0.1124","0.1211","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052433","11.4133","0.0002","12.1448","0.0002","17.4349","0.0003","84.6835","0.0007","72.1592","0.0007","75.5004","0.0007","2226.87","0.07","173.2","","173.2","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H40 Cl5 O P2 Re -","- C51 H40 Cl5 O P2 Re -","- C102 H80 Cl10 O2 P4 Re2 -","2","1","","Parr, Maria L.; Perez-Acosta, Carmen; Faller, J. W.","Synthesis, characterization and structural investigation of new rhenium-oxo complexes containing bidentate phosphine ligands: an exploration of chirality and conformation in chelate rings of small and large bite angle ligands","New Journal of Chemistry","2005","29","4","613","","10.1039/b412818d","","","0.7107","MoKα","","0.0478","0.031","","0.037","","0.033","","","1.011","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052434","10.6209","0.0003","11.6561","0.0003","16.7301","0.0005","69.9318","0.0013","85.4535","0.0013","69.6","0.0013","1821.48","0.09","173.2","","173.2","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Cl3 O2 P2 Re -","- C36 H28 Cl3 O P2 Re -","- C72 H56 Cl6 O2 P4 Re2 -","2","1","","Parr, Maria L.; Perez-Acosta, Carmen; Faller, J. W.","Synthesis, characterization and structural investigation of new rhenium-oxo complexes containing bidentate phosphine ligands: an exploration of chirality and conformation in chelate rings of small and large bite angle ligands","New Journal of Chemistry","2005","29","4","613","","10.1039/b412818d","","","0.7107","MoKα","","0.0857","0.045","","0.053","","0.046","","","1.292","","","1.45","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052435","9.7531","0.0002","13.2526","0.0003","17.0097","0.0005","71.8177","0.001","74.7252","0.001","69.727","0.001","1929.41","0.08","173.2","","173.2","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cl7 O2 P2 Re -","- C38 H32 Cl7 O2 P2 Re -","- C76 H64 Cl14 O4 P4 Re2 -","2","1","","Parr, Maria L.; Perez-Acosta, Carmen; Faller, J. W.","Synthesis, characterization and structural investigation of new rhenium-oxo complexes containing bidentate phosphine ligands: an exploration of chirality and conformation in chelate rings of small and large bite angle ligands","New Journal of Chemistry","2005","29","4","613","","10.1039/b412818d","","","0.7107","MoKα","","0.0669","0.034","","0.07","","0.032","","","1.522","","","0.88","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052436","8.723","0.007","13.581","0.002","13.656","0.003","94.42","0.01","93.37","0.05","92.69","0.04","1608","1.4","295","","295","","","","","","","","?","6","P -1","-P 1","2","","","","- C34 H30 Cr N6 O P -","- C34 H26 Cr N6 O P -","- C68 H52 Cr2 N12 O2 P2 -","2","1","","Luminita Toma; Rodrigue Lescouëzec; Jacqueline Vaissermann; Patrick Herson; Valérie Marvaud; Francesc Lloret; Miguel Julve","[CrIII(L)(CN)4]-: a new building block in designing cyanide-bridged 4,2-ribbon-like chains {[CrIII(L)(CN)4]2Mn(H2O)2}·nH2O [L = 2-aminomethylpyridine (n = 6) and 1,10-phenanthroline (n = 4)]","New Journal of Chemistry","2005","29","1","210","","10.1039/b413473g","","","0.71073","MoKα","","0.1079","0.0527","","0.0757","0.0591","0.0591","","","","","","0.9488","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052437","9.369","0.003","27.635","0.007","14.477","0.004","90","","97.52","0.02","90","","3716","1.8","295","","295","","","","1","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 Cr N6 O2 P -","- C41 H34 Cr N6 O2 P -","- C164 H136 Cr4 N24 O8 P4 -","4","1","","Luminita Toma; Rodrigue Lescouëzec; Jacqueline Vaissermann; Patrick Herson; Valérie Marvaud; Francesc Lloret; Miguel Julve","[CrIII(L)(CN)4]-: a new building block in designing cyanide-bridged 4,2-ribbon-like chains {[CrIII(L)(CN)4]2Mn(H2O)2}·nH2O [L = 2-aminomethylpyridine (n = 6) and 1,10-phenanthroline (n = 4)]","New Journal of Chemistry","2005","29","1","210","","10.1039/b413473g","","","0.71073","MoKα","","0.1208","0.0466","","0.0594","0.0547","0.0547","","","","","","1.1061","","","","has coordinates","198676","2020-10-21","18:00:00",""
"7052438","7.191","0.005","10.566","0.007","11.906","0.005","101.66","0.04","107.08","0.04","96.72","0.05","831.7","0.9","295","","295","","","","","","","","?","6","P -1","-P 1","2","","","","- C20 H32 Cr2 Mn N12 O8 -","- C20 H16 Cr2 Mn N12 O8 -","- C20 H16 Cr2 Mn N12 O8 -","1","0.5","","Luminita Toma; Rodrigue Lescouëzec; Jacqueline Vaissermann; Patrick Herson; Valérie Marvaud; Francesc Lloret; Miguel Julve","[CrIII(L)(CN)4]-: a new building block in designing cyanide-bridged 4,2-ribbon-like chains {[CrIII(L)(CN)4]2Mn(H2O)2}·nH2O [L = 2-aminomethylpyridine (n = 6) and 1,10-phenanthroline (n = 4)]","New Journal of Chemistry","2005","29","1","210","","10.1039/b413473g","","","0.71073","MoKα","","0.063","0.0599","","0.0632","0.0618","0.0618","","","","","","1.0327","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052439","7.641","0.005","15.569","0.004","15.49","0.004","90","","93.69","0.04","90","","1838.9","1.4","295","","295","","","","1","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cr2 Mn N12 O6 -","- C32 H16 Cr2 Mn N12 O6 -","- C64 H32 Cr4 Mn2 N24 O12 -","2","0.5","","Luminita Toma; Rodrigue Lescouëzec; Jacqueline Vaissermann; Patrick Herson; Valérie Marvaud; Francesc Lloret; Miguel Julve","[CrIII(L)(CN)4]-: a new building block in designing cyanide-bridged 4,2-ribbon-like chains {[CrIII(L)(CN)4]2Mn(H2O)2}·nH2O [L = 2-aminomethylpyridine (n = 6) and 1,10-phenanthroline (n = 4)]","New Journal of Chemistry","2005","29","1","210","","10.1039/b413473g","","","0.71073","MoKα","","0.1139","0.0912","","0.0891","0.0811","0.0811","","","","","","1.0766","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052440","8.961","0.001","9.253","0.001","11.405","0.002","109.38","0.01","103.19","0.01","96.75","0.01","849.1","0.2","299","2","299","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 F4 -","- C19 H24 F4 -","- C38 H48 F8 -","2","1","","Bremer, Matthias; Lietzau, Lars","1,1,6,7-Tetrafluoroindanes: improved liquid crystals for LCD-TV application","New Journal of Chemistry","2005","29","1","72","","10.1039/b414312d","","","0.71073","MoKα","","0.1287","0.055","","","0.1181","0.1486","","","","","","0.986","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052441","10.212","0.002","16.968","0.003","17.657","0.004","90","","91.45","0.03","90","","3058.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 O9 Sn W -","- C21 H36 O9 Sn2 W -","- C84 H144 O36 Sn8 W4 -","4","1","","Veith, Michael; Ehses, Markus; Huch, Volker","Synthesis, solid-state molecular structure and solution dynamics of new alkoxy stannylene-transition metal complexes","New Journal of Chemistry","2005","29","1","154","","10.1039/b414662j","","","0.71073","MoKα","","0.1038","0.0964","","","0.234","0.241","","","","","","1.181","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052442","10.238","0.002","17.01","0.003","17.6","0.004","90","","91.03","0.03","90","","3064.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 Cr O9 Sn2 -","- C21 H36 Cr O9 Sn2 -","- C84 H144 Cr4 O36 Sn8 -","4","1","","Veith, Michael; Ehses, Markus; Huch, Volker","Synthesis, solid-state molecular structure and solution dynamics of new alkoxy stannylene-transition metal complexes","New Journal of Chemistry","2005","29","1","154","","10.1039/b414662j","","","0.71073","MoKα","","0.0938","0.0638","","","0.1555","0.1824","","","","","","1.113","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052443","12.599","0.003","11.177","0.002","13.217","0.003","90","","95.24","0.03","90","","1853.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H36 Cr2 O14 Sn2 -","- C26 H37 Cr2 O14 Sn2 -","- C52 H74 Cr4 O28 Sn4 -","2","0.5","","Veith, Michael; Ehses, Markus; Huch, Volker","Synthesis, solid-state molecular structure and solution dynamics of new alkoxy stannylene-transition metal complexes","New Journal of Chemistry","2005","29","1","154","","10.1039/b414662j","","","0.71073","MoKα","","0.0365","0.0331","","","0.0839","0.0868","","","","","","1.097","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052444","12.55","0.003","11.19","0.002","13.39","0.003","90","","94.97","0.03","90","","1873.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26 H36 Cr O14 Sn2 W -","- C26 H36 Cr O14 Sn2 W -","- C52 H72 Cr2 O28 Sn4 W2 -","2","0.5","","Veith, Michael; Ehses, Markus; Huch, Volker","Synthesis, solid-state molecular structure and solution dynamics of new alkoxy stannylene-transition metal complexes","New Journal of Chemistry","2005","29","1","154","","10.1039/b414662j","","","0.71073","MoKα","","0.0712","0.0616","","","0.1904","0.199","","","","","","1.707","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052445","29.4551","0.0005","15.4086","0.0002","25.479","0.0005","90","","99.503","0.003","90","","11405.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64.5 H73 Br0.5 N0.5 O11 -","- C64.5 H56 Br0.5 N0.5 O11 -","- C516 H448 Br4 N4 O88 -","8","1","","Heidi Mansikkamäki; Christoph A. Schalley; Maija Nissinen; Kari Rissanen","Weak interactions between resorcinarenes and diquaternary alkyl ammonium cations","New Journal of Chemistry","2005","29","1","116","","10.1039/b415401k","","","0.71073","MoKα","","0.1861","0.1075","","","0.2758","0.3237","","","","","","1.014","","","","has coordinates,has disorder","180078","2020-10-21","18:00:00",""
"7052446","12.4513","0.0002","13.6703","0.0002","19.7836","0.0004","71.716","0.005","79.631","0.005","72.394","0.001","3034.14","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H88 Br4 N4 O11 -","- C55 H88 Br4 N4 O11 -","- C110 H176 Br8 N8 O22 -","2","1","","Heidi Mansikkamäki; Christoph A. Schalley; Maija Nissinen; Kari Rissanen","Weak interactions between resorcinarenes and diquaternary alkyl ammonium cations","New Journal of Chemistry","2005","29","1","116","","10.1039/b415401k","","","0.71073","MoKα","","0.1057","0.0486","","","0.0766","0.0898","","","","","","1.023","","","","has coordinates,has disorder","180078","2020-10-21","18:00:00",""
"7052447","12.0544","0.0001","12.8536","0.0002","15.3163","0.0002","85.953","0.001","84.491","0.001","69.52","0.001","2211.14","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 Br2 N2 O9 -","- C46 H64 Br2 N2 O9 -","- C92 H128 Br4 N4 O18 -","2","1","","Heidi Mansikkamäki; Christoph A. Schalley; Maija Nissinen; Kari Rissanen","Weak interactions between resorcinarenes and diquaternary alkyl ammonium cations","New Journal of Chemistry","2005","29","1","116","","10.1039/b415401k","","","0.71069","MoKα","","0.0385","0.0298","","","0.0651","0.0692","","","","","","1.022","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052448","11.3877","0.0002","12.5699","0.0003","17.5983","0.0004","99.359","0.001","91.183","0.001","98.78","0.001","2453.73","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H74 Cl2 N2 O10 -","- C50 H74 Cl2 N2 O10 -","- C100 H148 Cl4 N4 O20 -","2","1","","Heidi Mansikkamäki; Christoph A. Schalley; Maija Nissinen; Kari Rissanen","Weak interactions between resorcinarenes and diquaternary alkyl ammonium cations","New Journal of Chemistry","2005","29","1","116","","10.1039/b415401k","","","0.71073","MoKα","","0.1064","0.0605","","","0.1282","0.1487","","","","","","1.02","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052449","53.256","0.0008","12.649","0.0003","20.5761","0.0007","90","","97.955","0.001","90","","13727.4","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H107 Br3 N3 O10 -","- C66 H105 Br3 N3 O10 -","- C528 H840 Br24 N24 O80 -","8","1","","Heidi Mansikkamäki; Christoph A. Schalley; Maija Nissinen; Kari Rissanen","Weak interactions between resorcinarenes and diquaternary alkyl ammonium cations","New Journal of Chemistry","2005","29","1","116","","10.1039/b415401k","","","0.71073","MoKα","","0.145","0.0677","","","0.1346","0.1656","","","","","","1.015","","","","has coordinates,has disorder","180078","2020-10-21","18:00:00",""
"7052450","15.8558","0.0003","17.823","0.0004","20.256","0.0004","85.693","0.001","88.54","0.001","86.632","0.001","5697","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C117 H164 Br3 N3 O23.5 -","- C117 H151 Br3 N3 O23.5 -","- C234 H302 Br6 N6 O47 -","2","1","","Heidi Mansikkamäki; Christoph A. Schalley; Maija Nissinen; Kari Rissanen","Weak interactions between resorcinarenes and diquaternary alkyl ammonium cations","New Journal of Chemistry","2005","29","1","116","","10.1039/b415401k","","","0.71073","MoKα","","0.1874","0.074","","","0.1388","0.1746","","","","","","0.992","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052451","9.8246","0.0001","15.7155","0.0002","26.8439","0.0004","91.387","0.001","91.438","0.001","92.686","0.001","4137.46","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H140 Br N O10.5 -","- C87 H137.5 Br N O10.5 -","- C174 H275 Br2 N2 O21 -","2","1","","Heidi Mansikkamäki; Christoph A. Schalley; Maija Nissinen; Kari Rissanen","Weak interactions between resorcinarenes and diquaternary alkyl ammonium cations","New Journal of Chemistry","2005","29","1","116","","10.1039/b415401k","","","0.71073","MoKα","","0.1194","0.0644","","","0.1212","0.1423","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052452","15.882","0.0003","10.2424","0.0002","26.2432","0.0006","90","","94.555","0.0007","90","","4255.49","0.15","180","","180","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H81 Br2 Cl15 N2 O16 -","- C63 H81 Br2 Cl15 Li2 N2 O16 -","- C126 H162 Br4 Cl30 Li4 N4 O32 -","2","0.5","","Pascu, Sofia I.; Jarrosson, Thibaut; Naumann, Christoph; Otto, Sijbren; Kaiser, Guido; Sanders, Jeremy K. M.","Cation-reinforced donor-acceptor pseudorotaxanes","New Journal of Chemistry","2005","29","1","80","","10.1039/b415418e","","","0.71073","MoKα","","0.1577","0.1","","0.1528","0.1184","0.1184","","","","","","1.0981","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052453","10.7147","0.0002","13.4449","0.0002","19.5512","0.0003","103.233","0.0007","90.1735","0.0007","94.5532","0.0007","2732.42","0.08","180","","180","2","","","","","","","?","8","P -1","-P 1","2","","","","- C108 H76 B2 Cl4 F40 Li2 N2 O16 -","- C108 H76 B2 Cl4 F40 Li2 N2 O16 -","- C108 H76 B2 Cl4 F40 Li2 N2 O16 -","1","0.5","","Pascu, Sofia I.; Jarrosson, Thibaut; Naumann, Christoph; Otto, Sijbren; Kaiser, Guido; Sanders, Jeremy K. M.","Cation-reinforced donor-acceptor pseudorotaxanes","New Journal of Chemistry","2005","29","1","80","","10.1039/b415418e","","","0.71073","MoKα","","0.0682","0.0452","","0.0666","0.0562","0.0562","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052454","7.566","0.001","10.3074","0.0014","15.598","0.002","72.355","0.002","88.102","0.002","81.429","0.002","1146.2","0.3","150","2","150","2","","","","","","","?","5","P -1","-P 1","2","","","","- C38 H56 I2 Li2 O14 -","- C38 H56 I2 Li2 O14 -","- C38 H56 I2 Li2 O14 -","1","0.5","","Pascu, Sofia I.; Jarrosson, Thibaut; Naumann, Christoph; Otto, Sijbren; Kaiser, Guido; Sanders, Jeremy K. M.","Cation-reinforced donor-acceptor pseudorotaxanes","New Journal of Chemistry","2005","29","1","80","","10.1039/b415418e","","","0.6923","synchrotron","","0.036","0.0342","","0.0435","0.0367","0.0367","","","","","","0.9607","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052455","10.8071","0.0002","11.2503","0.0002","18.3062","0.0003","78.4706","0.0008","81.8524","0.0007","86.3758","0.0012","2157.41","0.07","180","","180","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C64 H78 Cl18 I2 N2 Na2 O14 -","- C64 H78 Cl18 I2 N2 Na2 O14 -","- C64 H78 Cl18 I2 N2 Na2 O14 -","1","0.5","","Pascu, Sofia I.; Jarrosson, Thibaut; Naumann, Christoph; Otto, Sijbren; Kaiser, Guido; Sanders, Jeremy K. M.","Cation-reinforced donor-acceptor pseudorotaxanes","New Journal of Chemistry","2005","29","1","80","","10.1039/b415418e","","","0.71073","MoKα","","0.0421","0.0344","","0.0461","0.0444","0.0444","","","","","","1.0757","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052456","38.511","0.0001","15.7246","0.0002","22.8791","0.0003","90","","93.64","0.0005","90","","13826.9","0.3","180","","180","","","","","","","","?","7","C 1 2/c 1","-C 2yc","15","","","","- C122 H96 B2 F48 N2 Na2 O14 -","- C122 H96 B2 F48 N2 Na2 O14 -","- C488 H384 B8 F192 N8 Na8 O56 -","4","0.5","","Pascu, Sofia I.; Jarrosson, Thibaut; Naumann, Christoph; Otto, Sijbren; Kaiser, Guido; Sanders, Jeremy K. M.","Cation-reinforced donor-acceptor pseudorotaxanes","New Journal of Chemistry","2005","29","1","80","","10.1039/b415418e","","","0.71073","MoKα","","0.242","0.158","","0.2243","0.1728","0.1728","","","","","","1.1708","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052457","8.6574","0.0017","18.3472","0.001","22.6283","0.0015","90","","90","","90","","3594.3","0.8","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 N4 O6 S3 -","- C36 H42 N4 O6 S3 -","- C144 H168 N16 O24 S12 -","4","1","","Ilioudis, Christos A.; Bearpark, Michael J.; Steed, Jonathan W.","Hydrogen bonds between ammonium ions and aromatic rings exist and have key consequences on solid-state and solution phase properties","New Journal of Chemistry","2005","29","1","64","","10.1039/b415532g","","","0.71073","MoKα","","0.212","0.1203","","","0.1668","0.1891","","","","","","1.113","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7052458","9.4427","0.0019","9.947","0.002","12.252","0.003","84.27","0.03","73.42","0.03","74.08","0.03","1060.3","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H31 Cl4 N4 O2 -","- C15 H31 Cl4 N4 O2 -","- C30 H62 Cl8 N8 O4 -","2","1","","Ilioudis, Christos A.; Bearpark, Michael J.; Steed, Jonathan W.","Hydrogen bonds between ammonium ions and aromatic rings exist and have key consequences on solid-state and solution phase properties","New Journal of Chemistry","2005","29","1","64","","10.1039/b415532g","","","0.71073","MoKα","","0.1053","0.0504","","","0.0922","0.11","","","","","","1.007","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052459","8.669","0.004","12.752","0.004","13.644","0.004","67.57","0.03","89.21","0.03","72.56","0.03","1321.4","0.9","301.2","","301.2","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H24 Cl N2 O7 Re Se -","- C25 H20 Cl N2 O7 Re Se -","- C50 H40 Cl2 N4 O14 Re2 Se2 -","2","1","","Wong, Keith Man-Chung; Li, Wei-Ping; Cheung, Kung-Kai; Yam, Vivian Wing-Wah","Synthesis, photophysics, electrochemistry and metal ion-binding studies of rhenium(i) complexes with crown ether pendants: selective and specific binding properties for various metal ions","New Journal of Chemistry","2005","29","1","165","","10.1039/b415951a","","","0.7107","MoKalpha","","","0.0264","","","0.0319","","","","","1.496","1.496","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052460","8.6509","0.0012","12.618","0.002","14","0.003","107.936","0.01","99.633","0.006","90.21","0.007","1430.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H20 Ag4 N4 O9.5 -","- C24.5 H20 Ag4 N4 O9.5 -","- C49 H40 Ag8 N8 O19 -","2","1","","Liu, Zheng; Liu, Ping; Chen, Yun; Wang, Jian; Huang, Meihua","Synthesis, structures, and photoluminescent properties of two ligand unsupported silver(i) coordination polymers from isonicotinate anions","New Journal of Chemistry","2005","29","3","474","","10.1039/b417363e","","","0.71073","MoKα","","0.0519","0.0373","","","0.0829","0.0911","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052461","11.1771","0.0002","19.1123","0.0001","14.0739","0.0002","90","","90.16","0.001","90","","3006.46","0.07","129.2","","129.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 O Yb -","- C30 H52 O Yb -","- C120 H208 O4 Yb4 -","4","1","","Schultz, Madeleine; Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A.","Coordination complexes of bivalent ansa-ytterbocenes: synthesis, structure and comparison with related unbridged ytterbocenes and ansa-ferrocenes","New Journal of Chemistry","2005","29","7","919","","10.1039/b418550a","","","0.7107","MoKα","","0","0.0326","","0","0.0395","0.0395","","","","","","1.293","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052462","29.0586","0.0005","15.9398","0.0002","24.5206","0.0004","90","","90","","90","","11357.7","0.3","156.2","","156.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H56 O Si Yb -","- C35.285 H56 O Si Yb -","- C423.42 H672 O12 Si12 Yb12 -","12","3","","Schultz, Madeleine; Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A.","Coordination complexes of bivalent ansa-ytterbocenes: synthesis, structure and comparison with related unbridged ytterbocenes and ansa-ferrocenes","New Journal of Chemistry","2005","29","7","919","","10.1039/b418550a","","","0.7107","MoKα","","0","0.0457","","0","0.0465","0.0465","","","","","","1.235","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052463","11.8426","0.0006","16.438","0.0009","22.338","0.001","90","","99.068","0.001","90","","4294.2","0.4","163.2","","163.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H64 N2 Si Yb -","- C44.455 N2 Si Yb -","- C177.82 N8 Si4 Yb4 -","4","1","","Schultz, Madeleine; Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A.","Coordination complexes of bivalent ansa-ytterbocenes: synthesis, structure and comparison with related unbridged ytterbocenes and ansa-ferrocenes","New Journal of Chemistry","2005","29","7","919","","10.1039/b418550a","","","0.7107","MoKα","","0","0.0455","","0","0.0509","0.0509","","","","","","1.18","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052464","11.7197","0.0002","16.5509","0.0002","17.5383","0.0003","90","","90","","90","","3401.93","0.09","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Li{N(2,6-iPr2C6H3)C(H)N(2,6-iPr2C6H3)}(PMDETA)]","","","- C34 H58 Li N5 -","- C34 H58 Li N5 -","- C136 H232 Li4 N20 -","4","1","","Cole, Marcus L.; Davies, Aaron J.; Jones, Cameron; Junk, Peter C.","Bulky formamidinate complexes of lithium: the first examples of η2:η1-CN,N′ metal amidinate coordination","New Journal of Chemistry","2005","29","11","1404","","10.1039/b511519a","","x-ray","0.71073","MoKα","","0.1003","0.0514","","","0.0983","0.1114","","","","","","0.963","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7100000","21.48","0.008","15.086","0.006","18.231","0.007","90","","109.75","0.006","90","","5560","4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,8,14,20-tetrapropyl-4,5,6,10,11,12,16,17,18,22,23,24 - dodecahydroxycalix(4)arene bis(4-(pyridin-4-yl)pyridine) propanone clathrate","","","- C63 H70 N4 O13 -","- C63 H70 N4 O13 -","- C252 H280 N16 O52 -","4","1","","G.W.V.Cave; M.C.Ferrarelli; J.L.Atwood","Nano-dimensions for the pyrogallol[4]arene cavity","Chemical Communications","2005","","","","","10.1039/b413829e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180102","2020-10-21","18:00:00",""
"7100001","32.0792","0.0005","14.408","0.0002","7.2035","0.0001","90","","90","","90","","3329.44","0.08","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C130 H160 N40 O20 -","10","2.5","","Jon Parquette; Judith C. Gallucci; Adam J. Preston","The Influence of Sterics on the Formation of Polar 1-D Hydrogen-Bonded Networks","Chemical Communications","2005","","","","","10.1039/b414470h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100002","6.131","0.001","13.95","0.002","20.22","0.003","90","","91.021","0.004","90","","1729.1","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N4 O2 -","- C17 H24 N4 O2 -","- C68 H96 N16 O8 -","4","2","","","","Chemical Communications","2005","","","","","10.1039/b414470h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100003","29.5764","0.0013","29.5764","0.0013","29.5764","0.0013","90","","90","","90","","25872","2","150","2","150","2","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C60 H77.5 F4 N6 Na Ni4 O13.25 -","- C60 H77 F4 N8 Na1.02 Ni4 O13.25 -","- C720 H924 F48 N96 Na12.24 Ni48 O159 -","12","0.25","","R. Winpenny; Guillem. Aromi; Aidan Bell; S. J. Teat; Wolfgang Wernsdorfer","Synthesis and Characterisation of a {Ni8} Single Molecule Magnet and A Related Cage","Chemical Communications","2005","","","","","10.1039/b500581g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7100004","16.055","0.006","16.408","0.006","23.826","0.009","90","","103.176","0.007","90","","6111","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77.3 H115 N56 Na2 Ni8 O29.3 -","- C77.3 H92.4 N56 Na2 Ni8 O29.3 -","- C154.6 H184.8 N112 Na4 Ni16 O58.6 -","2","0.5","","R. Winpenny; Guillem. Aromi; Aidan Bell; S. J. Teat; Wolfgang Wernsdorfer","Synthesis and Characterisation of a {Ni8} Single Molecule Magnet and A Related Cage","Chemical Communications","2005","","","","","10.1039/b500581g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100005","9.2966","0.001","12.8636","0.0013","5.4998","0.0006","90","","90.533","0.002","90","","657.68","0.12","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","cobalt squarate hydroxide hydrate","","","- C8 H8 Co3 O13 -","- C8 H6 Co3 O13 -","- C16 H12 Co6 O26 -","2","0.25","","Kurmoo, Mohamedally; Kumagai, Hitoshi; Chapman, Karena W.; Kepert, Cameron J.","Reversible ferromagnetic-antiferromagnetic transformation upon dehydration-hydration of the nanoporous coordination framework, [Co3(OH)2(C4O4)2] 3H2O","Chemical Communications","2005","","","","","10.1039/b500614g","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100006","9.4684","0.0011","12.7225","0.0015","5.4873","0.0007","90","","90.314","0.002","90","","661","0.14","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","cobalt squarate hydroxide","","","- C8 H2 Co3 O10 -","- C8 H2 Co3 O10 -","- C16 H4 Co6 O20 -","2","0.25","","","","Chemical Communications","2005","","","","","10.1039/b500614g","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100007","7.1305","0.0014","34.505","0.007","6.8846","0.0014","90","","90","","90","","1693.9","0.6","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","0.5","","Aitipamula Srinivasulu; Ashwini Nangia","Concomitant polymorphs of 2,2',6,6'-tetramethyl-4,4'-terphenyldiol: the b-quinol network reproduced in a metastable polymorph","Chemical Communications","2005","","","","","10.1039/b500665a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100008","20.858","0.0012","20.858","0.0012","10.0116","0.0012","90","","90","","120","","3772.1","0.5","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C198 H198 O18 -","9","0.5","","Aitipamula Srinivasulu; Ashwini Nangia","Concomitant polymorphs of 2,2',6,6'-tetramethyl-4,4'-terphenyldiol: the b-quinol network reproduced in a metastable polymorph","Chemical Communications","2005","","","","","10.1039/b500665a","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100009","9.553","0.002","4.5252","0.0011","20.21","0.005","90","","100.555","0.003","90","","858.9","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C44 H44 O4 -","2","0.5","","Aitipamula Srinivasulu; Ashwini Nangia","Concomitant polymorphs of 2,2',6,6'-tetramethyl-4,4'-terphenyldiol: the b-quinol network reproduced in a metastable polymorph","Chemical Communications","2005","","","","","10.1039/b500665a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180102","2020-10-21","18:00:00",""
"7100010","10.9544","0.0003","15.0911","0.0004","15.4986","0.0004","90","","99.898","0.001","90","","2524","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H43 Cl2 P Ru Si -","- C21 H43 Cl2 P Ru Si -","- C84 H172 Cl8 P4 Ru4 Si4 -","4","1","","Osipov, Alexander L.; Vyboishchikov, Sergei F.; Dorogov, Konstantin Y.; Kuzmina, Lyudmila G.; Howard, Judith A. K.; Lemenovskii, Dmitrii A.; Nikonov, Georgii I.","Cp*(iPr3P)Ru(Cl)(η2-HSiClMe2): the first complex with simultaneous Si‒H and RuCl⋯SiCl inter-ligand interactions","Chemical Communications (Cambridge, United Kingdom)","2005","","26","3349","3351","10.1039/b500679a","","","","","","","","","","","","","","","","","","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7100011","31.215","0.004","12.941","0.003","19.891","0.003","90","","120.008","0.007","90","","6958","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82 H84 N2 O7 -","- C82 H82 N2 O7 -","- C328 H328 N8 O28 -","4","0.5","","Kim, Jong-Man; Min, Sung Jun; Lee, Soon W.; Bok, Ju Han; Kim, Jong Seung","An Excimer Emission Approach for Patterned Fluorescent Imaging","Chemical Communications (Cambridge, United Kingdom)","2005","","27","3427","3429","10.1039/b501568e","","","","","","","","","","","","","","","","","","","","","has coordinates","210719","2020-10-21","18:00:00",""
"7100012","10.1223","0.0002","12.6116","0.0003","13.7458","0.0002","86.93","0.001","89.931","0.001","71.358","0.001","1660.09","0.06","123.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H36 Cl2 F4 O4 -","- C37 H36 Cl2 F4 O4 -","- C74 H72 Cl4 F8 O8 -","2","1","","F. Toda; Shinya Hirano; Masako Kato; Shinji Toyota","Isolation of axial conformers of chloro- and bromocyclohexane in a pure state as inclusion complexes with 9,9'-bianthryl, and the discovery of a novel 1,3 axial Cl—H weak hydrogen bond","Chemical Communications","2005","","","","","10.1039/b501633a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100013","12.043","0.004","19.012","0.006","10.994","0.003","96.075","0.012","102.296","0.011","89.397","0.012","2445.3","1.4","173.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H29 Cl -","- C34 H28.5 Cl -","- C136 H114 Cl4 -","4","2","","","","Chemical Communications","2005","","","","","10.1039/b501633a","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100014","6.501","0.001","12.672","0.001","32.201","0.001","90","","90","","90","","2652.7","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(2S,2aS,4aR,5aS,8aS, 10aR,12aS,12bS,13aR)-4a-hydroxy-2- (1R,2R)-2-hydroxy-1-methyl-2-((2R)-4-methyl-5-oxo-2,5-dihydro-2- furanyl)ethyl-2a,10,10-trimethylperhydrofuro(3,2- b)oxireno(2'',3'':3',3a')indeno(4',5':5,6)-cyclohepta(c)furan-7-one","","","- C29 H40 O8 -","- C29 H40 O8 -","- C116 H160 O32 -","4","1","","Li, Rong-Tao; Han, Quan-Bin; Zheng, Yong-Tang; Wang, Rui-Rui; Yang, Liu-Meng; Lu, Yang; Sang, Su-Qin; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong","Structure and anti-HIV activity of micrandilactones B and C, new nortriterpenoids possessing a unique skeleton from Schisandra micrantha","Chemical Communications (Cambridge, United Kingdom)","2005","","23","2936","2938","10.1039/b501932j","","","","","","","","","","","","","","","","","","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7100015","7.878","0.0016","10.483","0.002","18.484","0.004","84.67","0.03","80.14","0.03","89.66","0.03","1497.4","0.5","296","1","296","1","","","","","","","","3","P 1","P 1","1","","","","- C58 H96 O24 -","- C58 H96 O24 -","- C58 H96 O24 -","1","1","","Li, Rong-Tao; Han, Quan-Bin; Zheng, Yong-Tang; Wang, Rui-Rui; Yang, Liu-Meng; Lu, Yang; Sang, Su-Qin; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong","Structure and anti-HIV activity of micrandilactones B and C, new nortriterpenoids possessing a unique skeleton from Schisandra micrantha","Chemical Communications (Cambridge, United Kingdom)","2005","","23","2936","2938","10.1039/b501932j","","","","","","","","","","","","","","","","","","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7100016","12.088","0.005","19.348","0.005","48.185","0.005","90","0.005","90","0.005","90","0.005","11269","6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(Ni2(m-H2O)(O2CCMe3)4(HO2CCMe3)4","","","- C40 H78 Ni2 O17 -","- C40 H78 Ni2 O17 -","- C320 H624 Ni16 O136 -","8","1","","R. Winpenny; F. P. Booy; Kirsten Christensen; Finn Larsen; Gopalan Rajaraman; G.A.Timco","Theoretical studies on bi and tetranuclear Ni pivalate complexes","Chemical Communications","2005","","","","","10.1039/b502115d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100017","11.735","0.002","17.146","0.003","17.634","0.004","90","","105.44","0.03","90","","3419.9","1.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H77 Cl N2 O2 P2 Ru -","- C78 H77 Cl N2 O2 P2 Ru -","- C156 H154 Cl2 N4 O4 P4 Ru2 -","2","1","","Robert H. Morris; Xuanhua Chen.; Christian Elpelt; Rongwei Guo.; Datong Song.","A Modular Design of Ruthenium Catalysts with Diamine and Binol-derived Phosphinite Ligands that are Enantiomerically-Matched for the Effective Asymmetric Transfer Hydrogenation of Simple Ketones","Chemical Communications","2005","","","","","10.1039/b502123e","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100018","18.999","0.001","18.999","0.001","18.999","0.001","90","","90","","90","","6858.1","0.6","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C63 H69 F12 N15 O3 P2 Ru -","- C63 H69 F12 N15 O3 P2 Ru -","- C252 H276 F48 N60 O12 P8 Ru4 -","4","0.333333","","Gebhard Haberhauer; Thomas Oeser; Frank Rominger","A widely applicable concept for predictable induction of preferred configuration in C3-symmetric systems","Chemical Communications","2005","","","","","10.1039/b502158h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100019","16.2136","0.0013","16.2136","0.0013","22.0711","0.0018","90","","90","","120","","5024.7","0.7","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C63 H78.6 Ir N12 O10.8 -","- C63 H63 Ir N12 O10.8 -","- C189 H189 Ir3 N36 O32.4 -","3","0.333333","","Gebhard Haberhauer; Thomas Oeser; Frank Rominger","A widely applicable concept for predictable induction of preferred configuration in C3-symmetric systems","Chemical Communications","2005","","","","","10.1039/b502158h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100020","13.0619","0.0002","15.4301","0.0003","13.6751","0.0001","90","","92.057","0.001","90","","2754.39","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","in paper 3d","","","- C53 H64 Cl4 N10 O3 -","- C53 H64 Cl4 N10 O3 -","- C106 H128 Cl8 N20 O6 -","2","1","","Gebhard Haberhauer; Thomas Oeser; Frank Rominger","A widely applicable concept for predictable induction of preferred configuration in C3-symmetric systems","Chemical Communications","2005","","","","","10.1039/b502158h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100021","25.6673","0.0002","13.4786","0.0003","13.5486","0.0006","90","","90","","90","","4687.3","0.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C28 H42 Cu4 N24 O3 W2 -","- C28 H36 Cu4 N24 O3 W2 -","- C112 H144 Cu16 N96 O12 W8 -","4","0.5","","Barbara Sieklucka; Maria Balanda; Tomasz Korzeniak; Kazimierz Kowalski; Robert Pelka; K. Stadnicka; Krzysztof Tomala","An unprecedented copper (I,II) octacyanotungstate(V) 2-D network: crystal structure and magnetism of [CuII(tren)]{CuI[WV(CN)8]}*1.5H2O","Chemical Communications","2005","","","","","10.1039/b502308d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100022","18.713","0.004","13.74","0.003","29.251","0.006","90","","97.38","0.03","90","","7459","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H56 Cl4 F10 N4 S4 -","- C84 H56 Cl4 F10 N4 S4 -","- C336 H224 Cl16 F40 N16 S16 -","4","1","","Tavarekere K. Chandrashekar; B. S. Joshi; Viswanathan PrabhuRaja; Harapriya Rath; Raja Roy; Jeyaraman Sankar","Figure-Eight Aromatic Core-modified Octaphyrins With Six meso links: Syntheses and Structural Characterization","Chemical Communications","2005","","","","","10.1039/b502327k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100023","10.9386","0.0018","9.676","0.0016","11.3108","0.0019","90","","99.428","0.003","90","","1181","0.3","205","2","205","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C11 H20 Cl N Rh -","- C11 H20 Cl N Rh -","- C44 H80 Cl4 N4 Rh4 -","4","1","","Howard Alper; Jai Jun Kim.","Ionic diamine rhodium (I) complexes highly active catalysts for the hydroformylation of olefins","Chemical Communications","2005","","","","","10.1039/b502435h","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100024","11.502","0.0009","22.9336","0.0019","16.601","0.0013","90","","102.965","0.002","90","","4267.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H21 Au3 Cl2 F15 Fe N3 -","- C44 H21 Au3 Cl2 F15 Fe N3 -","- C176 H84 Au12 Cl8 F60 Fe4 N12 -","4","1","","M.Concepcion Gimeno; Javier E. Aguado; Maria Jose Calhorda; Antonio Laguna","Unprecedented 3-M3 Coordination Mode in a Terpyridine Ligand","Chemical Communications","2005","","","","","10.1039/b502515j","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100025","9.6024","0.001","22.536","0.002","16.0264","0.0016","90","","99.642","0.002","90","","3419.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 B6 Fe2 O7 Ru2 -","- C27 H40 B6 Fe2 O7 Ru2 -","- C108 H160 B24 Fe8 O28 Ru8 -","4","1","","S.Ghosh; B.C.Noll; T.P.Fehlner","Condensed metallaborane clusters: Synthesis and structure of Fe2(CO)6(h5-C5Me5RuCO)(h5-C5Me5Ru)B6H10","Chemical Communications","2005","","","","","10.1039/b502559a","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7100026","6.454","0.004","7.448","0.004","19.603","0.01","99.707","0.005","91.077","0.005","115.569","0.006","833.5","0.8","293.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 N0.5 Ni S11 -","- C9 N0.5 Ni S11 -","- C18 N Ni2 S22 -","2","1","","Neil Robertson; A.Kuni; Stewart J. Clark; Hengbo Cui.; Wataru Fujita; Hayao Kobayahi; S.S. Staniland; Yoshikatsu Umezono","A unique new multiband molecular conductor: [BDTA][Ni(dmit)2]2","Chemical Communications","2005","","","","","10.1039/b502783g","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100027","16.012","0.005","6.907","0.005","7.971","0.005","90","","76.101","0.005","90","","855.7","0.9","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","cobalt terephthaloyldiglycinate hydrate","","","- C12 H20 Co N2 O11 -","- C12 H20 Co N2 O11 -","- C24 H40 Co2 N4 O22 -","2","0.5","","Kostakis, George E.; Casella, Luigi; Hadjiliadis, Nick; Monzani, Enrico; Kourkoumelis, Nikolaos; Plakatouras, John C.","Interpenetrated networks from a novel nanometer-sized pseudopeptidic ligand, bridging water, and transition metal ions with CdSO4 topology","Chemical Communications (Cambridge, United Kingdom)","2005","","30","3859","3861","10.1039/b502788h","","","","","","","","","","","","","","","","","","","","","has coordinates","287991","2023-12-04","15:01:45",""
"7100028","15.795","0.002","6.8256","0.0014","8.1755","0.0006","90","","77.004","0.007","90","","858.8","0.2","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","copper terephthaloyldiglycinate hydrate","","","- C12 H20 Cu N2 O11 -","- C12 H20 Cu N2 O11 -","- C24 H40 Cu2 N4 O22 -","2","0.5","","Kostakis, George E.; Casella, Luigi; Hadjiliadis, Nick; Monzani, Enrico; Kourkoumelis, Nikolaos; Plakatouras, John C.","Interpenetrated networks from a novel nanometer-sized pseudopeptidic ligand, bridging water, and transition metal ions with CdSO4 topology","Chemical Communications (Cambridge, United Kingdom)","2005","","30","3859","3861","10.1039/b502788h","","","","","","","","","","","","","","","","","","","","","has coordinates","287991","2023-12-04","15:01:51",""
"7100029","15.211","0.001","11.6798","0.0008","22.888","0.002","90","","96.59","0.002","90","","4039.5","0.5","213.1","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 Br2 Cl2 Co I N4 Ni -","- C38 H41 Br2 Cl2 Co I N4 Ni -","- C152 H164 Br8 Cl8 Co4 I4 N16 Ni4 -","4","1","","Hideo Nagashima; Yukihiro Motoyama; Masao Tanabiki; Kazuhiro Tsuchiya","Monometallic and Heterobimetallic Azanickellacycles as Ethylene Polymerization Catalysts","Chemical Communications","2005","","","","","10.1039/b502942b","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100030","15.091","0.002","11.585","0.002","22.938","0.004","90","","97.1574","0.0008","90","","3979.1","1.1","123.1","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 Br2 Cl2 I N4 Ni Zn -","- C38 H41 Br2 Cl2 I N4 Ni Zn -","- C152 H164 Br8 Cl8 I4 N16 Ni4 Zn4 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b502942b","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100031","29.374","0.009","14.767","0.004","17.319","0.005","90","","116.599","0.0011","90","","6717.6","3.3","123.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H39 I N4 Ni -","- C37 H39 I N4 Ni -","- C296 H312 I8 N32 Ni8 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b502942b","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100032","10.672","0.006","12.45","0.004","14.069","0.006","73.26","0.03","75.03","0.04","65.11","0.03","1603.6","1.2","296","2","293","2","","","","","","","","5","P -1","-P 1","2","disodium bis-propionyldipropionatedicarbonyl-ruthenate(ii)","","","- C11 H15 Na O7 Ru -","- C11 H15 Na O7 Ru -","- C44 H60 Na4 O28 Ru4 -","4","2","","G. Fachinetti; T. Funaioli; F. Marchetti","The Ethene Hydroformylation with CO/H~2~O: Nucleophilic Attack by Water onto a Terminal CO of a Ru(II) Acylcarbonyl Complex","Chemical Communications","2005","","","","","10.1039/b502998h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7100033","10.9525","0.0003","11.207","0.0002","25.0146","0.0004","90","","97.6555","0.0004","90","","3043.06","0.16","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 O12 -","- C30 H42 O12 -","- C120 H168 O48 -","4","1","","Feihe Huang; Matthew Lam; Eric J. Mahan; Arnold L. Rheingold; Harry W. Gibson","Host folding during the formation of a taco complex","Chemical Communications","2005","","","","","10.1039/b503092g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100034","10.3115","0.0019","11.0844","0.0017","13.8563","0.0019","76.203","0.012","70.914","0.014","83.447","0.014","1452.4","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H39 O11 -","- C29 H39 O11 -","- C58 H78 O22 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b503092g","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100035","11.6764","0.0012","15.9293","0.0019","16.8706","0.0018","62.902","0.011","83.88","0.009","73.69","0.01","2680.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H67 F12 N2 O13 P2 -","- C47 H67 F12 N2 O13 P2 -","- C94 H134 F24 N4 O26 P4 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b503092g","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100036","15.1699","0.001","15.1699","0.001","56.846","0.007","90","","90","","120","","11329.1","1.8","203","2","203","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","tris(iminobis(diphenylphosphinoselenido)-N, Se, Se')- uranium(iii) benzene solvate","","","- C78 H60 D6 N3 P6 Se6 U -","- C78 H66 N3 P6 Se6 U -","- C468 H396 N18 P36 Se36 U6 -","6","0.166667","","A.J. Gaunt; B.L. Scott; M.P. Neu","Homoleptic uranium(III) imidodiphoshinochalcogenides including the first structurally characterised molecular trivalent actinide-Se bond","Chemical Communications","2005","","","","","10.1039/b503106k","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100037","15.0066","0.0009","15.0066","0.0009","56.107","0.004","90","","90","","120","","10942.4","1.2","141","2","141","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","tris(iminobis(diphenylphosphinosulfido)-N, S, S')- uranium(iii) toluene solvate","","","- C79 H68 N3 P6 S6 U -","- C72 H60 N3 P6 S6 U -","- C432 H360 N18 P36 S36 U6 -","6","0.166667","","","","Chemical Communications","2005","","","","","10.1039/b503106k","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100038","10.002","0.0003","13.135","0.0004","10.948","0.0004","90","","92.825","0.0012","90","","1436.56","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","R.E. Grigg; Laura Cleghorn; Colin Kilner; William S. MacLachlan; V. Sridharan","Bimetallic Catalytic Synthesis of Annelated Benzazepines","Chemical Communications","2005","","","","","10.1039/b503213j","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100039","10.374","0.0002","19.283","0.0007","9.733","0.0003","90","","90","","90","","1947.01","0.1","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H25 N -","- C26 H25 N -","- C104 H100 N4 -","4","1","","R.E.Grigg; Laura Cleghorn; Colin Kilner; William S. MacLachlan; V. Sridharan","Bimetallic Catalytic Synthesis of Annelated Benzazepines","Chemical Communications","2005","","","","","10.1039/b503213j","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100040","9.3318","0.0019","11.08","0.002","18.816","0.004","105.54","0.03","97.78","0.03","94.74","0.03","1842.6","0.6","273","2","273","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H104 Ag4 Cl4 N8 O4 -","- C60 H104 Ag4 Cl4 N8 O4 -","- C60 H104 Ag4 Cl4 N8 O4 -","1","1","","Elena Fernandez; Rosa Corberan; Eduardo Peris; Jesus Ramirez; Mercedes Sanau","Unprecedented use of silver(I) N-heterocyclic carbene complexes for the catalytic preparation of 1,2-bis(boronate)esters","Chemical Communications","2005","","","","","10.1039/b503239c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100041","10.052","0.002","10.463","0.002","16.117","0.003","82.04","0.03","84.82","0.03","66.02","0.03","1532.8","0.5","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 Au Cl2 N2 -","- C38 H27 Au Cl2 N2 -","- C76 H54 Au2 Cl4 N4 -","2","1","","Vivian Yam; Ling-Ling Hung; Hoi-Sing Kwok; Keith Man-Chung Wong; Nianyong Zhu; Xiuling Zhu","A novel class of phosphorescent gold(III) alkynyl-based organic light emitting devices with tunable colour","Chemical Communications","2005","","","","","10.1039/b503315b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100042","13.3549","0.0009","14.8313","0.001","19.7845","0.0011","90","","90","","90","","3918.7","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Br Fe2 N O6 S2 -","- C15 H10 Br Fe2 N O6 S2 -","- C120 H80 Br8 Fe16 N8 O48 S16 -","8","1","","Wang, Fujun; Wang, Mei; Liu, Xiaoyang; Jin, Kun; Dong, Weibing; Li, Guanghua; Åkermark, Björn; Sun, Licheng","Spectroscopic and crystallographic evidence for the N-protonated Fe^I^Fe^I^ azadithiolate complex related to the active site of Fe-only hydrogenases","Chemical Communications (Cambridge, United Kingdom)","2005","","25","3221","3223","10.1039/b503371c","","","","","","","","","","","","","","","","","","","","","has coordinates","209694","2020-10-21","18:00:00",""
"7100043","22.953","0.01","6.611","0.003","15.033","0.006","90","","104.63","0.03","90","","2207.2","1.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br Cl Fe2 N O10 S2 -","- C15 H11 Br Cl Fe2 N O10 S2 -","- C60 H44 Br4 Cl4 Fe8 N4 O40 S8 -","4","1","","Wang, Fujun; Wang, Mei; Liu, Xiaoyang; Jin, Kun; Dong, Weibing; Li, Guanghua; Åkermark, Björn; Sun, Licheng","Spectroscopic and crystallographic evidence for the N-protonated Fe^I^Fe^I^ azadithiolate complex related to the active site of Fe-only hydrogenases","Chemical Communications (Cambridge, United Kingdom)","2005","","25","3221","3223","10.1039/b503371c","","","","","","","","","","","","","","","","","","","","","has coordinates","209694","2020-10-21","18:00:00",""
"7100044","21.5739","0.001","9.8443","0.001","15.7727","0.001","90","","125.341","0.01","90","","2732.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H21 Ag N2 O3.5 -","- C9 H21 Ag N2 O3.5 -","- C72 H168 Ag8 N16 O28 -","8","1","","Dario Braga; Marco Curzi; F. Grepioni; Marco Polito","Mechanochemical and Solution Reactions Between AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination Network {Ag[H2NC6H10NH2]+}","Chemical Communications","2005","","","","","10.1039/b503404c","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100045","8.7808","0.0013","12.81","0.004","13.706","0.003","95.35","0.03","90.898","0.017","108.9","0.02","1450.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H25 Ag N2 O6 -","- C8 H25 Ag N2 O6 -","- C32 H100 Ag4 N8 O24 -","4","2","","Dario Braga; Marco Curzi; F. Grepioni; Marco Polito","Mechanochemical and Solution Reactions Between AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination Network {Ag[H2NC6H10NH2]+}","Chemical Communications","2005","","","","","10.1039/b503404c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100046","6.108","0.004","10.18","0.004","11.849","0.004","105.91","0.03","97.78","0.03","99.37","0.04","686.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H23 Ag N2 O5 -","- C8 H23 Ag N2 O5 -","- C16 H46 Ag2 N4 O10 -","2","1","","Dario Braga; Marco Curzi; F. Grepioni; Marco Polito","Mechanochemical and Solution Reactions Between AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination Network {Ag[H2NC6H10NH2]+}","Chemical Communications","2005","","","","","10.1039/b503404c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100047","16.297","0.003","27.009","0.005","8.878","0.002","90","","115.11","0.03","90","","3538.5","1.2","253","2","253","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C56 H58 N4 O16 V -","- C56 H52 N4 O16 V -","- C112 H104 N8 O32 V2 -","2","0.25","","Chi Ming Che.; Nancy P. Y. Chung; Chen-Lung Li.; Raymond Sun.; Suk-Yu Wong.","Physiologically Stable Vanadium(IV) Porphyrins as a New Class of Anti-HIV Agents","Chemical Communications","2005","","","","","10.1039/b503535j","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100048","6.1939","0.0014","12.977","0.003","17.601","0.004","90","","90","","90","","1414.8","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H25 Ga2 N3 -","- C8 H25 Ga2 N3 -","- C32 H100 Ga8 N12 -","4","1","","Wayne Gladfelter; Benjamin E. Kuccera; Bing Luo","Mono- and digallane complexes of a tridentate amido-diamine ligand","Chemical Communications","2005","","","","","10.1039/b503705k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100049","11.01","0.002","11.706","0.002","9.4523","0.0019","90","","90","","90","","1218.2","0.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","04303","","","- C8 H22 Ga N3 -","- C8 H22 Ga N3 -","- C32 H88 Ga4 N12 -","4","0.5","","Wayne Gladfelter; Benjamin E. Kuccera; Bing Luo","Mono- and digallane complexes of a tridentate amido-diamine ligand","Chemical Communications","2005","","","","","10.1039/b503705k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100050","14.4818","0.0003","17.0579","0.0003","23.2334","0.0004","78.2385","0.0006","87.6536","0.0006","71.2122","0.0009","5317.55","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C109 H111 Cl6 N14 O6 P Zn3 -","- C109 H111 Cl6 N14 O6 P Zn3 -","- C218 H222 Cl12 N28 O12 P2 Zn6 -","2","1","","J. Reek; Arjan W. Kleij; Martin Lutz; Anthony L. Spek; van Leeuwen,Piet W.N.M","Encapsulated Transition Metal Catalysts Comprising Peripheral Zn(II)salen Building Blocks: Template-Controlled Reactivity and Selectivity in Hydroformylation Catalysis","Chemical Communications","2005","","","","","10.1039/b503708e","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100051","48.308","0.003","15.6944","0.001","38.405","0.002","90","","106.099","0.002","90","","27975","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C181.25 H274.25 Ag F37.5 N29.25 Ni21 O72.25 -","- C181.25 H249.5 Ag F37.5 N29.25 Ni21 O72.25 -","- C725 H998 Ag4 F150 N117 Ni84 O289 -","4","1","","Richard Winpenny; Guillem Aromi; Aiden Bell; S. J. Teat","Synthesis and Characterisation of a {Ni21Ag} Cage","Chemical Communications","2005","","","","","10.1039/b503712c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100052","7.7602","0.0011","15.269","0.002","22.456","0.003","82.064","0.003","81.61","0.003","78.915","0.003","2566.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N-((3-pyridyl)methyl)benzimidazole, 4-NO2-PhCOOH, 3,5-di(NO2)- PhCOOH","","","- C27 H20 N6 O10 -","- C27 H20 N6 O10 -","- C108 H80 N24 O40 -","4","2","","C. Aakeroy; John Desper; Joaquin F. Urbina","Supramolecular Reagents: Versatile Tools for Non-covalent Synthesis","Chemical Communications","2005","","","","","10.1039/b503718b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100053","8.1324","0.0007","10.811","0.0009","15.3761","0.0013","95.489","0.004","90.318","0.005","91.503","0.005","1345.2","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","1-(3-pyridylmethyl)benzimidazole, 3,5-diNO2PhCOOH, 3- Me2NPhCOOH","","","- C29 H26 N6 O8 -","- C29 H26 N6 O8 -","- C58 H52 N12 O16 -","2","1","","C. Aakeroy; John Desper; Joaquin F. Urbina","Supramolecular Reagents: Versatile Tools for Non-covalent Synthesis","Chemical Communications","2005","","","","","10.1039/b503718b","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100054","7.7318","0.0008","7.0062","0.0007","49.395","0.005","90","","91.012","0.006","90","","2675.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(3-pyridylmethyl)-2-methyl-BzIm, 3,5-diNO2PhCOOH, 4- NO2PhCOOH","","","- C28 H22 N6 O10 -","- C28 H22 N6 O10 -","- C112 H88 N24 O40 -","4","1","","C. Aakeroy; John Desper; Joaquin F. Urbina","Supramolecular Reagents: Versatile Tools for Non-covalent Synthesis","Chemical Communications","2005","","","","","10.1039/b503718b","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100055","19.411","0.02","16.879","0.019","8.348","0.004","90","","114.91","0.02","90","","2481","4","293","2","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H4 F12 N2 O8 Rh2 -","- C16 H4 F12 N2 O8 Rh2 -","- C64 H16 F48 N8 O32 Rh8 -","4","0.5","","Marina Petrukhina; Vladimir V. Chernyshev; Evgeny V. Dikarev; Bo Li.; Roman V. Shpanchenko","Coordination Polymers Formed in Solution and in Solvent-Free Environment. Structural Transformation due to Interstitial Solvent Removal Revealed by X-ray Powder Diffraction","Chemical Communications","2005","","","","","10.1039/b503748d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100056","16.3302","0.001","24.7253","0.0015","8.7079","0.0005","90","","90","","90","","3516","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C27 H15.5 Cl F12 N2 O8 Rh2 -","- C27.02 H15.54 Cl1.04 F12 N2 O8 Rh2 -","- C108.08 H62.16 Cl4.16 F48 N8 O32 Rh8 -","4","0.5","","Marina Petrukhina; Vladimir V. Chernyshev; Evgeny V. Dikarev; Bo Li.; Roman V. Shpanchenko","Coordination Polymers Formed in Solution and in Solvent-Free Environment. Structural Transformation due to Interstitial Solvent Removal Revealed by X-ray Powder Diffraction","Chemical Communications","2005","","","","","10.1039/b503748d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100057","25.241","0.003","20.053","0.004","26.004","0.002","90","","90","","90","","13162","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H96 Cl2 O P2 Pd -","- C70 H96 Cl2 O P2 Pd -","- C560 H768 Cl16 O8 P16 Pd8 -","8","1","","P.W.N.M.Van Leeuwen; Maria Caporali; Christian Mueller; Anthony L. Spek; Bastiaan B. P. Staal; D.M. Tooke","New diphosphine ligands based on diphenyl ether for the Pd-catalyzed CO/ethene copolymerization","Chemical Communications","2005","","","","","10.1039/b503764f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277873","2022-09-15","11:31:04",""
"7100058","4.941","0.006","17.81","0.02","13.56","0.02","90","","90.62","0.05","90","","1193","9","93.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 S3 -","- C12 H6 N4 S3 -","- C48 H24 N16 S12 -","4","1","","Md. Akhtaruzzman; N. Kamata; J.-I. Nishida; S. Ando; H. Tada; M. Tomura; Y. Yamashita","Syntheis, Characterization, and FET Properties of Novel Dithiazolylbenzothiadiazole Derivatives","Chemical Communications","2005","","","","","10.1039/b503814f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100059","7.3267","0.0002","10.4025","0.0003","13.6141","0.0004","82.523","0.002","76.069","0.002","82.898","0.002","993.93","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N4 O -","- C23 H22 N4 O -","- C46 H44 N8 O2 -","2","1","","Philip Gale; Mark E. Light; Beth A. McNally; Korakot Navakhun; Kate E. Sliwinski; Bradley Smith","Co-transport of H+/Cl- by a synthetic prodigiosin mimic","Chemical Communications","2005","","","","","10.1039/b503906a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100060","35.854","0.005","6.249","0.005","22.02","0.005","90","","120.62","0.009","90","","4246","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 Cl N4 O2 -","- C23 H25 Cl N4 O2.005 -","- C184 H200 Cl8 N32 O16.04 -","8","1","","Philip Gale; Mark E. Light; Beth A. McNally; Korakot Navakhun; Kate E. Sliwinski; Bradley Smith","Co-transport of H+/Cl- by a synthetic prodigiosin mimic","Chemical Communications","2005","","","","","10.1039/b503906a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180102","2020-10-21","18:00:00",""
"7100061","12.9","0.001","22.217","0.0017","19.4755","0.0015","90","","94.224","0.002","90","","5566.5","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","t-butyl-calix[4]arene*3n-butylamine*2H2O","","","- C56 H93 N3 O6 -","- C56 H93 N3 O6 -","- C224 H372 N12 O24 -","4","1","","John Ripmeester; Philip Brown; Gary D. Enright; Konstantin A. Udachin","Extending the chemistry of p-t-butylcalix[4]arene with H-bonding and secondary coordination","Chemical Communications","2005","","","","","10.1039/b503915k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180102","2020-10-21","18:00:00",""
"7100062","12.5854","0.0015","16.2134","0.0019","20.695","0.002","77.408","0.002","86.846","0.002","79.32","0.002","4049.5","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","t-butyl-calix[4]arene*2(Zn(n-butylamine)3) 2Cl","","","- C36 H66.11 Cl1.16 N3.5 O2.5 Zn -","- C36 H66.11 Cl1.16 N3.5 O2.5 Zn -","- C144 H264.44 Cl4.64 N14 O10 Zn4 -","4","2","","John Ripmeester; Philip Brown; Gary D. Enright; Konstantin A. Udachin","Extending the chemistry of p-t-butylcalix[4]arene with H-bonding and secondary coordination","Chemical Communications","2005","","","","","10.1039/b503915k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100063","22.133","0.003","20.811","0.003","23.42","0.003","90","","103.438","0.002","90","","10492","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","t-butyl-calix[4]arene*(Ag(isopropylamine)3)","","","- C120 H149.5 Ag2 N7 O10 -","- C106 H157 Ag1.98 N6 O8.293 -","- C424 H628 Ag7.92 N24 O33.172 -","4","1","","John Ripmeester; Philip Brown; Gary D. Enright; Konstantin A. Udachin","Extending the chemistry of p-t-butylcalix[4]arene with H-bonding and secondary coordination","Chemical Communications","2005","","","","","10.1039/b503915k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100064","32.684","0.003","20.741","0.002","8.9393","0.0009","90","","95.263","0.002","90","","6034.4","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C49 H73 N7 O19 S4 -","- C49 H73 N7 O19 S4 -","- C196 H292 N28 O76 S16 -","4","1","","Bing Gong.; Yu An.; Wen Feng.; Oksana Gerlitz; Lan He.; Kazuhiro Yamato; Lihua Yuan.; Chong Zheng.","Macrocyclic aromatic tetrasulfonamides with a stable cone conformation","Chemical Communications","2005","","","","","10.1039/b503921e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100065","20.0776","0.0004","15.6656","0.0003","20.0619","0.0004","90","","100.029","0.0009","90","","6213.6","0.2","150","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H49 S3 Sc Si3 -","- C21.5 H49 S3 Sc Si3 -","- C172 H392 S24 Sc8 Si24 -","8","1","","Philip Mountford; Fanny Bonnet; A. R. Cowley; Cara S. Tredget","The first rare earth organometallic complex of 1,4,7-trithiacyclononane: a precursor to unique cationic ethylene and alpha-olefin polymerisation catalysts supported by an all-sulfur donor ligand","Chemical Communications","2005","","","","","10.1039/b503967c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100066","16.0725","0.0012","16.2819","0.0011","17.0074","0.0012","86.074","0.002","64.426","0.002","62.003","0.002","3494.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 Fe N3 -","- C34 H46 Fe N3 -","- C136 H184 Fe4 N12 -","4","2","","Paul Chirik; Suzanne C. Bart; Marco W. Bouwkamp; Eric J. Hawrelak; Emil Lobkovsky; Ryan J. Trovitch","Square planar bis(imino)pyridine iron halide and alkyl complexes","Chemical Communications","2005","","","","","10.1039/b504063a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100067","15.8771","0.0007","20.0007","0.0007","26.177","0.001","90","","90","","90","","8312.6","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H65 Fe N3 Si2 -","- C41 H65 Fe N3 Si2 -","- C328 H520 Fe8 N24 Si16 -","8","1","","Paul Chirik; Suzanne C. Bart; Marco W. Bouwkamp; Eric J. Hawrelak; Emil Lobkovsky; Ryan J. Trovitch","Square planar bis(imino)pyridine iron halide and alkyl complexes","Chemical Communications","2005","","","","","10.1039/b504063a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100068","13.1161","0.0005","19.2048","0.0008","13.5204","0.0006","90","","115.146","0.001","90","","3082.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 Cl Fe N3 O -","- C33 H45 Cl Fe N3 O -","- C132 H180 Cl4 Fe4 N12 O4 -","4","1","","Paul Chirik; Suzanne C. Bart; Marco W. Bouwkamp; Eric J. Hawrelak; Emil Lobkovsky; Ryan J. Trovitch","Square planar bis(imino)pyridine iron halide and alkyl complexes","Chemical Communications","2005","","","","","10.1039/b504063a","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100069","9.753","0.003","27.559","0.006","25.86","0.008","90","","115.621","0.013","90","","6267","3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H76 Mn8 N4 O28 -","- C48 H76 Mn8 N4 O28 -","- C192 H304 Mn32 N16 O112 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b504116c","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100070","9.7328","0.0007","13.7878","0.0009","22.0639","0.0014","90","","90","","90","","2960.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O6 -","- C32 H38 N2 O6 -","- C128 H152 N8 O24 -","4","1","","Reiko Kuroda; Yoshitane Imai; Tomohiro Sato; Masatoshi Takeshita","Efficient Optical Resolution of Secondary Alkyl Alcohols by Chiral Supramolecular Hosts","Chemical Communications","2005","","","","","10.1039/b504164c","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100071","11.372","0.0008","9.4378","0.0007","13.8177","0.001","90","","97.694","0.002","90","","1469.66","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O6 -","- C32 H37.829 N2 O6 -","- C64 H75.658 N4 O12 -","2","1","","Reiko Kuroda; Yoshitane Imai; Tomohiro Sato; Masatoshi Takeshita","Efficient Optical Resolution of Secondary Alkyl Alcohols by Chiral Supramolecular Hosts","Chemical Communications","2005","","","","","10.1039/b504164c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180102","2020-10-21","18:00:00",""
"7100072","16.078","0.002","16.328","0.002","19.889","0.003","81.583","0.012","82.687","0.01","77.143","0.01","5011.2","1.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H112 Mn8 N16 O16 -","- C96 H96 Mn8 N16 O16 -","- C192 H192 Mn16 N32 O32 -","2","1","","J. Reedijk; Guillem Aromi; E. Bouwman; Huub Kooijman; A. Spek; Stefania Tanase","New routes to manganese higher-nuclearity topologies: Synthesis of the Cluster [Mn8(μ4-O)4(phpz)8(thf)4].","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100073","18.321","0.003","10.6557","0.0016","16.405","0.003","90","","122.95","0.003","90","","2687.5","0.7","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Eu8 C4.95 N9.90 I6.10","","","- C4.95 Eu8 I6.1 N9.9 -","- C4.952 Eu8 I6.096 N9.904 -","- C19.808 Eu32 I24.384 N39.616 -","4","0.5","","Richard Dronskowski; Boniface P. T. Fokwa; Wuping Liao","Eu8(NCN)5-δI6+2δ (δ = 0.05): a novel rare-earth carbodiimide iodide containing oligomeric tritetrahedral Eu8 clusters","Chemical Communications","2005","","","","","10.1039/b504235f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100074","13.396","0.005","15.694","0.005","20.544","0.005","90","","90","","90","","4319","2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H63 Cs O5 Ti3 -","- C40 H63 Cs O5 Ti3 -","- C160 H252 Cs4 O20 Ti12 -","4","1","","Miguel Mena; Octavio Gonzalez-del Moral; Avelino Martin; Maria del Carmen Morales-Varela; Cristina Santamaria","Hydrocarbon species μ3-CCH2-, μ3-CCH3 and μ-CHCH3 supported on Ti3O3","Chemical Communications","2005","","","","","10.1039/b504467g","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100075","17.575","0.003","22.434","0.003","38.629","0.008","90","","90","","90","","15231","5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H58 O4 Ti3 -","- C36 H58 O4 Ti3 -","- C576 H928 O64 Ti48 -","16","2","","","","Chemical Communications","2005","","","","","10.1039/b504467g","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100076","11.909","0.002","17.257","0.004","23.92","0.005","90","","97.09","0.03","90","","4878.6","1.7","273","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H52 Cl2 N8 O14 Zn2 -","- C47 H52 Cl2 N8 O14 Zn2 -","- C188 H208 Cl8 N32 O56 Zn8 -","4","0.5","","L. MacGillivray; Tomisla Friscic; Ivan G. Georgiev; Giannis S. Papaefstathiou","Directed assembly and reactivity of olefins within a one-dimensional ladder-like coordination polymer based on a dinuclear Zn(II) platform.","Chemical Communications","2005","","","","","10.1039/b504477d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180102","2020-10-21","18:00:00",""
"7100077","47.177","0.003","42.46","0.003","26.4971","0.0016","90","","90.134","0.002","90","","53078","6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- H422 K26 Mo72 Na8 O542 S12 V31 -","- K26 Mo72.122 O471 S12 V30 -","- K104 Mo288.488 O1884 S48 V120 -","4","0.5","","Botar, Bogdan; Kögerler, Paul; Hill, Craig L.","[{(Mo)Mo5O21(H2O)3(SO4)}12(VO)30(H2O)20]36-: A molecular quantum spin icosidodecahedron.","Chemical communications (Cambridge, England)","2005","","25","3138","3140","10.1039/b504491j","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100078","15.7365","0.0007","15.7365","0.0007","24.686","0.002","90","","90","","120","","5294.1","0.6","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","(O(H)CO)Ti(N(t-Bu)Ar)3","","","- C37 H54 N3 O2 Ti -","- C37 H54 N3 O1.99 Ti -","- C222 H324 N18 O11.94 Ti6 -","6","0.333333","","C. Cummins; Joshua S. Figueroa; Arjun Mendiratta","Synthesis of a four-coordinate titanium(IV) oxoanion via deprotonation and decarbonylation of complexed formate","Chemical Communications","2005","","","","","10.1039/b504492h","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100079","13.3553","0.001","13.3843","0.0009","25.8835","0.0018","90","","90","","90","","4626.7","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((Et2O)2Li)(OTi(N(t-Bu)Ar)3)","","","- C44 H68 Li N3 O3 Ti -","- C44 H68 Li N3 O3 Ti -","- C176 H272 Li4 N12 O12 Ti4 -","4","1","","C. Cummins; Joshua S. Figueroa; Arjun Mendiratta","Synthesis of a four-coordinate titanium(IV) oxoanion via deprotonation and decarbonylation of complexed formate","Chemical Communications","2005","","","","","10.1039/b504492h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100080","14.818","0.002","14.818","0.002","24.856","0.005","90","","90","","120","","4726.5","1.3","253","2","253","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C36 H33 B3 N6 -","- C36 H33 B3 N6 -","- C216 H198 B18 N36 -","6","0.166667","","Chi-ming Che.; Chi-Chung Kwok.; Iona H. T. Sham; Nianyong Zhu.","Borazine Materials for Organic Optoelectronic Applications","Chemical Communications","2005","","","","","10.1039/b504510j","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100081","7.904","0.002","19.879","0.004","10.989","0.002","90","","90","","90","","1726.6","0.6","253","2","253","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 B3 N3 -","- C18 H18 B3 N3 -","- C72 H72 B12 N12 -","4","1","","Chi-ming Che.; Chi-Chung Kwok.; Iona H. T. Sham; Nianyong Zhu.","Borazine Materials for Organic Optoelectronic Applications","Chemical Communications","2005","","","","","10.1039/b504510j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100082","11.9619","0.0002","12.7619","0.0002","17.984","0.0002","75.5723","0.0005","80.1952","0.0005","86.9238","0.0005","2619.78","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H55 B F20 N6 Si Ti -","- C48 H55 B F20 N6 Si Ti -","- C96 H110 B2 F40 N12 Si2 Ti2 -","2","1","","Philip Mountford; Paul D. Bolton; Eric Clot; Andrew R. Cowley","Well-defined imidotitanium alkyl cations: alpha-C-H or beta-Si-C agostic interactions, migratory insertion vs [2+2] cycloaddition, and the first structurally authenticated AlMe3 adduct of any transition metal alkyl cation","Chemical Communications","2005","","","","","10.1039/b504567c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100083","13.7837","0.0002","19.5766","0.0003","18.6673","0.0002","90","","109.756","0.0007","90","","4740.67","0.11","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Al B Cl2 F20 N4 Ti -","- C42 H44 Al B Cl2 F20 N4 Ti -","- C168 H176 Al4 B4 Cl8 F80 N16 Ti4 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b504567c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100084","9.866","0.0002","13.342","0.0004","17.731","0.0006","83.592","0.001","75.742","0.001","78.438","0.002","2211.41","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 B11 P2 Rh -","- C44 H56 B11 P2 Rh -","- C88 H112 B22 P4 Rh2 -","2","1","","Eduardo Molinos; Gabriele Kociok-Kohn; Andrew S. Weller","Polyethyl Substituted Weakly Coordinating Carborane Anions: A Sequential Dehydrogenative Borylation/Hydrogenation Route","Chemical Communications","2005","","","","","10.1039/b504630k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100085","16.738","0.0002","18.091","0.0002","18.571","0.0002","90","","111.618","0.001","90","","5227.88","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 B11 P2 Rh -","- C54 H70 B11 P2 Rh -","- C216 H280 B44 P8 Rh4 -","4","1","","Eduardo Molinos; Gabriele Kociok-Kohn; Andrew S. Weller","Polyethyl Substituted Weakly Coordinating Carborane Anions: A Sequential Dehydrogenative Borylation/Hydrogenation Route","Chemical Communications","2005","","","","","10.1039/b504630k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180102","2020-10-21","18:00:00",""
"7100086","9.1544","0.0014","10.1383","0.0016","10.7424","0.0017","77.628","0.003","72.26","0.003","80.393","0.003","922","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H17 B F6 N4 O4 S2 -","- C9 H17 B F6 N4 O4 S2 -","- C18 H34 B2 F12 N8 O8 S4 -","2","1","","J.Davies Junior; Eugene A. Cioffi; Phillip A. Fox; Scott T. Griffin; W. Matthew Reichert; R.D. Rogers; Alan Salter; Ashley B. Smith; Morgan D. Tickell; Benjamin F. Wicker; Andrzej Wierzbicki","Putting an old wine into a new bottle: Room-temperature ionic liquids based upon (N-alkylimidazole)(amine)BH2+ boronium ions","Chemical Communications","2005","","","","","10.1039/b504631a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100087","7.1113","0.0008","5.0864","0.0003","18.142","0.002","90","","98.398","0.002","90","","649.17","0.1","120","1","120","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetramethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)","","","- C10 H12 F6 O6 -","- C10 H12 F6 O6 -","- C20 H24 F12 O12 -","2","0.5","","Satoshi Takahashi; Toshimasa Katagiri; Kenji Uneyama","A binary hydrogen bonding system based on homochiral recognition: Crystal structures and hydrogen bonding networks of meso-(R,S)-bis(trifluorolactate)s","Chemical Communications","2005","","","","","10.1039/b504676a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100088","15.4","0.01","18.79","0.02","5.045","0.003","90","","90","","90","","1460","2","120","1","120","1","","","","","","","","4","P n a 21","P 2c -2n","33","Pentamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)","","","- C11 H14 F6 O6 -","- C11 H14 F6 O6 -","- C44 H56 F24 O24 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b504676a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100089","19.891","0.002","5.1138","0.0002","15.605","0.001","90","","100.918","0.001","90","","1558.6","0.2","120","1","120","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Hexamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)","","","- C12 H16 F6 O6 -","- C12 H16 F6 O6 -","- C48 H64 F24 O24 -","4","0.5","","","","Chemical Communications","2005","","","","","10.1039/b504676a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100090","15.613","0.003","21.793","0.004","5.0901","0.0005","90","","90","","90","","1731","1","120","1","120","1","","","","","","","","4","P n m a","-P 2ac 2n","62","Heptamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)","","","- C13 H18 F6 O6 -","- C13 H18 F6 O6 -","- C52 H72 F24 O24 -","4","0.5","","","","Chemical Communications","2005","","","","","10.1039/b504676a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100091","5.1196","0.0011","10.895","0.003","17.165","0.004","72.489","0.007","89.576","0.015","85.41","0.02","910","0.4","120","1","120","1","","","","","","","","4","P -1","-P 1","2","Octamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)","","","- C14 H20 F6 O6 -","- C14 H20 F6 O6 -","- C28 H40 F12 O12 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b504676a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100092","15.7479","0.0005","27.1355","0.001","5.0309","0.0001","90","","90","","90","","2149.84","0.11","100","1","100","1","","","","","","","","4","P n m a","-P 2ac 2n","62","Nonamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate) hexane ether H2O mixed solvate","","","- C21 H36 F6 O6 -","- C15 H22 F6 O6 -","- C60 H88 F24 O24 -","4","0.5","","","","Chemical Communications","2005","","","","","10.1039/b504676a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100093","5.3266","0.0007","20.331","0.005","16.967","0.004","90","","94.52","0.01","90","","1831.8","0.7","115","1","115","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nonamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)","","","- C15 H22 F6 O6 -","- C15 H22 F6 O6 -","- C60 H88 F24 O24 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b504676a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100094","16.803","0.003","16.913","0.003","17.229","0.003","61.92","0.03","77.82","0.03","64.56","0.03","3900.9","1.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H102 N12 P6 -","- C75 H102 N12 P6 -","- C150 H204 N24 P12 -","2","1","","D. S. Wright; Fay Dodds; Felipe Garcia; Richard A. Kowenicki; M. McPartlin; A. Steiner","Synthesis and Structure of the Calixarene-like > Phosph(III)azane Macrocycle [{P(mu-NtBu)}2{1,5-(NH)2C10H6}]3","Chemical Communications","2005","","","","","10.1039/b504686f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100095","12.644","0.007","9.115","0.005","14.429","0.007","90","","106.578","0.01","90","","1593.7","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","oxabridged spirocyclic six-membered-ring system","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Munirathinam Nethaji","Highly regio-, chemo- and diastereoselective synthesis of epoxy-bridged spirocycles: A novel observation of reverse selectivity","Chemical Communications","2005","","","","","10.1039/b504692k","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100096","6.265","0.004","20.618","0.013","25.042","0.016","90","","97.062","0.011","90","","3210","4","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","oxabridged spirocyclic seven-membered-ring system","","","- C21 H18 O3 -","- C21 H18 O3 -","- C168 H144 O24 -","8","2","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Munirathinam Nethaji","Highly regio-, chemo- and diastereoselective synthesis of epoxy-bridged spirocycles: A novel observation of reverse selectivity","Chemical Communications","2005","","","","","10.1039/b504692k","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100097","11.322","0.003","9.237","0.002","13.982","0.004","90","","103.01","0.005","90","","1424.8","0.6","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","oxabridged spirocyclic six-membered-ring system","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Munirathinam Nethaji","Highly regio-, chemo- and diastereoselective synthesis of epoxy-bridged spirocycles: A novel observation of reverse selectivity","Chemical Communications","2005","","","","","10.1039/b504692k","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100098","17.2027","0.0002","10.3525","0.0001","23.4504","0.0003","90","","108.608","0.001","90","","3957.98","0.08","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 P2 Pt -","- C47 H46 P2 Pt -","- C188 H184 P8 Pt4 -","4","1","","John Moss; Katja Dralle; Nastassia L. Jaffa; le Roex,Tanya; Akella Sivaramakrishna; Susan Travis; Nicholas D. Watermeyer","A new route to metallacycloalkanes","Chemical Communications","2005","","","","","10.1039/b504747a","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100099","10.1405","0.0001","10.3988","0.0002","17.2796","0.0003","94.001","0.001","106.261","0.001","103.161","0.001","1685.81","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 P2 Pt -","- C42 H40 P2 Pt -","- C84 H80 P4 Pt2 -","2","1","","John Moss; Katja Dralle; Nastassia L. Jaffa; le Roex,Tanya; Akella Sivaramakrishna; Susan Travis; Nicholas D. Watermeyer","A new route to metallacycloalkanes","Chemical Communications","2005","","","","","10.1039/b504747a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100100","9.983","0.002","16.774","0.003","10.608","0.002","90","","92.85","0.03","90","","1774.2","0.6","293","2","293","2","","","","","","","","4","I 1 m 1","I -2y","8","","","","- Bi9 Cl5 H12 O37 -","- Bi9 Cl5 H6 O37 -","- Bi18 Cl10 H12 O74 -","2","0.5","","J.H. Thurston; D.C. Swenson; L. Messerle","","Chemical Communications","2005","","","","","10.1039/b504864h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100101","13.434","0.003","26.027","0.005","20.985","0.004","90","","106.87","0.03","90","","7022","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H78 Bi9 Cl5 O42 -","- C28 H78 Bi9 Cl5 O42 -","- C112 H312 Bi36 Cl20 O168 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b504864h","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100102","11.8045","0.001","14.1144","0.0012","30.313","0.003","90","","97.363","0.004","90","","5009","0.7","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C6 H43 Cs4 Na2 O43 P Ru S3 W7 -","- C6 Cs3.75 Na O43 P Ru S3 W7 -","- C24 Cs15 Na4 O172 P4 Ru4 S12 W28 -","4","1","","Ulrich Kortz; Lihua Bi.; Michael H. Dickman; Ina Dix","The Ru (II)-supported heptatungstates [HXW7O28RU(dmso)3]6 (X = P,As)","Chemical Communications","2005","","","","","10.1039/b504903m","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100103","14.8022","0.0006","23.421","0.001","16.4215","0.0007","90","","92.037","0.001","90","","5689.4","0.4","298","2","273","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C6 H35 As Cs2 Na4 O39 Ru S3 W7 -","- C6 As Cs1.39 Na3.5 O39 Ru S3 W7 -","- C24 As4 Cs5.56 Na14 O156 Ru4 S12 W28 -","4","1","","Ulrich Kortz; Lihua Bi.; Michael H. Dickman; Ina Dix","The Ru (II)-supported heptatungstates [HXW7O28RU(dmso)3]6 (X = P,As)","Chemical Communications","2005","","","","","10.1039/b504903m","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100104","31.133","0.005","17.213","0.005","32.873","0.005","90","0.01","112.94","0.01","90","0.01","16223","6","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C108 H194 Cr9 F12 N Ni O37 -","- C108 H194 Cr9 F12 N Ni O37 -","- C432 H776 Cr36 F48 N4 Ni4 O148 -","4","1","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100105","20.328","0.002","17.41","0.002","23.585","0.002","90","","114.734","0.009","90","","7581.2","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H190 Cr8 F12 N4 Ni2 O39 -","- C104 Cr8 F12 N4 Ni2 O39 -","- C208 Cr16 F24 N8 Ni4 O78 -","2","0.5","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100106","19.3987","0.0008","22.2606","0.0008","31.3094","0.0014","90","","91.663","0.004","90","","13514.5","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C97 H182 Cd Cr8 F9 N O37 -","- C97 Cd Cr8 F9 N O37 -","- C388 Cd4 Cr32 F36 N4 O148 -","4","1","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100107","19.934","0.0012","16.0192","0.0011","26.206","0.0017","90","","90.054","0.005","90","","8368.3","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H200 Cr9 F12 N Ni O40 -","- C104 Cr9 F12 Ni O40 -","- C208 Cr18 F24 Ni2 O80 -","2","0.5","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100108","36.0766","0.0012","36.0766","0.0012","19.0238","0.0007","90","","90","","120","","21442.7","1.3","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C91 H167 Cr8 F11 N4 Ni O37 -","- C91 Cr8.01 F11 N4 Ni0.99 O37 -","- C546 Cr48.06 F66 N24 Ni5.94 O222 -","6","0.5","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100109","12.5916","0.0019","21.808","0.003","27.727","0.004","90","","93.89","0.003","90","","7596.2","1.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H186.5 Cr8 F12 N4 Ni2 O36.75 -","- C104 H188 Cr8 F12 N4 Ni2 O36.75 -","- C208 H376 Cr16 F24 N8 Ni4 O73.5 -","2","0.5","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100110","26.003","0.003","19.882","0.002","31.266","0.003","90","","102.99","0.01","90","","15751","3","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C116 H214 Cr8 F12 N2 Ni2 O36 -","- C103 H188 Cr8 F12 N Ni2 O36 -","- C412 H752 Cr32 F48 N4 Ni8 O144 -","4","0.5","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100111","32.686","0.003","20.8976","0.0019","22.154","0.002","90","","90","","90","","15132","2","100","2","100","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C107 H198 Cr9 F10 N Ni O40 -","- C107 Cr9 F10 N Ni O40 -","- C428 Cr36 F40 N4 Ni4 O160 -","4","","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100112","24.9758","0.0006","16.6444","0.0005","31.0706","0.0009","90","","111.149","0.002","90","","12046.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H159 Cr6 F8 N4 Ni2 O32 -","- C89 H159 Cr6 F8 N4 Ni2 O32 -","- C356 H636 Cr24 F32 N16 Ni8 O128 -","4","1","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100113","18.1402","0.0003","18.1402","0.0003","6.1582","0.0002","90","","90","","120","","1754.96","0.07","105","2","105","2","","","","","","","","4","P 65","P 65","170","L-Leucyl-L-serine acetonitrile solvate","","","- C9.17 H18.26 N2.08 O4 -","- C9.168 H18 N2.084 O4 -","- C55.008 H108 N12.504 O24 -","6","1","","C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen","","Chemical Communications","2005","","","","","10.1039/b504976h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100114","18.1253","0.0003","18.1253","0.0003","6.1497","0.0002","90","","90","","120","","1749.66","0.07","105","2","105","2","","","","","","","","4","P 65","P 65","170","L-Leucyl-L-serine","","","- C9 H18 N2 O4 -","- C9 H18 N2 O4 -","- C54 H108 N12 O24 -","6","1","","C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen","","Chemical Communications","2005","","","","","10.1039/b504976h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100115","18.147","0.0003","18.147","0.0003","6.1536","0.0002","90","","90","","120","","1754.97","0.07","105","2","105","2","","","","","","","","5","P 65","P 65","170","L-Leucyl-L-serine iodine complex","","","- C9 H18 I0.07 N2 O4 -","- C9 H18 I0.068 N2 O4 -","- C54 H108 I0.408 N12 O24 -","6","1","","C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen","","Chemical Communications","2005","","","","","10.1039/b504976h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100116","10.8191","0.0007","29.4126","0.0019","31.945","0.002","90","","90","","90","","10165.6","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(4-cyanobenzyliden)-cycloheptan-1-one / permethylated-gamma- cyclodextrin","","","- C87 H143 N O41 -","- C87 H143 N O41 -","- C348 H572 N4 O164 -","4","1","","Arnaud Grandeury; Samuel Petit; Servane Coste; Gerard Coquerel; Cecile Perrio; Geraldine Gouhier","New synthesis of (Z,E)-2,7-bis(4-cyanobenzylidene)cycloheptan-1-one under stereospecific constraints induced by host-guest interactions","Chemical Communications","2005","","","","","10.1039/b504989j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100117","12.78","0.02","17.04","0.02","19.13","0.05","90","","104.82","0.02","90","","4028","14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 Cl4 I N3 Ni -","- C37 H50 Cl4 I N3 Ni -","- C148 H200 Cl16 I4 N12 Ni4 -","4","1","","David Vicic; Thomas J. Anderson; Gavin D. Jones; Chris McFarland","Analysis of Key Steps in the Catalytic Cross-Coupling of Alkyl Electrophiles Under Negishi-like Conditions","Chemical Communications","2005","","","","","10.1039/b504996b","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100118","11.89","0.01","10.947","0.017","20.178","0.019","90","","105.977","0.006","90","","2525","5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 N3 Ni -","- C28 H38 N3 Ni -","- C112 H152 N12 Ni4 -","4","1","","David Vicic; Thomas J. Anderson; Gavin D. Jones; Chris McFarland","Analysis of Key Steps in the Catalytic Cross-Coupling of Alkyl Electrophiles Under Negishi-like Conditions","Chemical Communications","2005","","","","","10.1039/b504996b","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100119","8.6135","0.0005","10.6869","0.0006","15.705","0.001","73.925","0.001","75.037","0.001","83.696","0.001","1340.9","0.14","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C25 H15 Br D6 N5 O6 Re S -","- C25 H21 Br N5 O6 Re S -","- C50 H42 Br2 N10 O12 Re2 S2 -","2","1","","Reger, Daniel L.; Elgin, J. Derek; Semeniuc, Radu F.; Pellechia, Perry J.; Smith, Mark D.","Directional Control of pi Stacked Building Blocks for Crystal Engineering: the 1,8-Naphthalimide Synthon","Chemical Communications","2005","","","","","10.1039/b504998a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100120","8.8427","0.0005","13.4707","0.0008","13.9727","0.0008","67.162","0.001","89.579","0.001","82.302","0.001","1518.27","0.15","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Br N5 O6 Re -","- C30 H29 Br N5 O6 Re -","- C60 H58 Br2 N10 O12 Re2 -","2","1","","Reger, Daniel L.; Elgin, J. Derek; Semeniuc, Radu F.; Pellechia, Perry J.; Smith, Mark D.","Directional Control of pi Stacked Building Blocks for Crystal Engineering: the 1,8-Naphthalimide Synthon","Chemical Communications","2005","","","","","10.1039/b504998a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100121","24.096","0.007","24.096","0.007","7.479","0.003","90","","90","","120","","3761","2","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C48 H57 Cl6 Ir3 N6 -","- C48 H57 Cl6 Ir3 N6 -","- C144 H171 Cl18 Ir9 N18 -","3","0.166667","","Guo-Xin Jin; Chun-Xia Ren; Jianqiang Wang","Route to Multicluster Containing Ancillary ortho-Carborane-1,2-Dithiolato Ligands","Chemical Communications","2005","","","","","10.1039/b505041c","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100122","35.258","0.006","35.258","0.006","16.15","0.004","90","","90","","90","","20076","6","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C54 H87 B30 Ir3 N6 S6 -","- C54 H87 B30 Ir3 N6 S6 -","- C432 H696 B240 Ir24 N48 S48 -","8","0.5","","Guo-Xin Jin; Chun-Xia Ren; Jianqiang Wang","Route to Multicluster Containing Ancillary ortho-Carborane-1,2-Dithiolato Ligands","Chemical Communications","2005","","","","","10.1039/b505041c","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100123","10.223","0.002","11.336","0.002","13.688","0.003","101.052","0.002","109.107","0.003","94.826","0.003","1452.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H62 B20 Cl4 Ir2 N2 S4 -","- C36 H62 B20 Cl4 Ir2 N2 S4 -","- C36 H62 B20 Cl4 Ir2 N2 S4 -","1","0.5","","Guo-Xin Jin; Chun-Xia Ren; Jianqiang Wang","Route to Multicluster Containing Ancillary ortho-Carborane-1,2-Dithiolato Ligands","Chemical Communications","2005","","","","","10.1039/b505041c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100124","15.226","0.002","12.924","0.002","10.944","0.002","90","","90.157","0.009","90","","2153.6","0.6","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C45 H41 Cl Mn2 N6 O8 -","- C45 H41 Cl Mn2 N6 O8 -","- C90 H82 Cl2 Mn4 N12 O16 -","2","0.5","","","","Chemical Communications","2005","","","","","10.1039/b505092h","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100125","8.32854","0.00034","5.03756","0.00013","9.82453","0.00023","90","","100.375","0.0013","90","","405.454","0.03","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Methylthiomethyllithium","","","- C2 H5 Li S -","- C2 H5 Li S -","- C8 H20 Li4 S4 -","4","1","","Matthias Wagner; Edith Alig; Robert E. Dinnebier; Hans-Wolfram Lerner; Kai Ruth; Ingebororg Sanger; S. Tonnes","Solvent-Free Methylthiomethyllithium [LiCH2SMe] : Solid State Structure and Thermal Decomposition.","Chemical Communications","2005","","","","","10.1039/b505096k","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100126","9.9526","0.0005","16.4089","0.0009","18.5655","0.0011","90","","92.026","0.003","90","","3030.1","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H44 Si8 -","- C19 H44 Si8 -","- C76 H176 Si32 -","4","1","","Mitsuo Kira; Natsuki Hamada; Chizuko Kabuto; Wataru Setaka","Intramolecular Charge-Transfer Fluorescence of 1-Phenylbicyclo[2.2.2]octasilane","Chemical Communications","2005","","","","","10.1039/b505109f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100127","7.7121","0.0007","10.729","0.0009","17.409","0.001","90","","90","","90","","1440.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C56 H64 N8 O16 S4 -","4","1","","Mitsuo Kira; Natsuki Hamada; Chizuko Kabuto; Wataru Setaka","Intramolecular Charge-Transfer Fluorescence of 1-Phenylbicyclo[2.2.2]octasilane","Chemical Communications","2005","","","","","10.1039/b505197e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100128","3.3306","0.0001","3.3306","0.0001","10.8919","0.0005","90","","90","","120","","104.636","0.007","220","2","220","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- N Na Sn -","- N Na Sn -","- N2 Na2 Sn2 -","2","0.166667","","Simon Clarke; Oltan Gal; Nicholas Watney; D. Webster; Simon J. Clarke","The first ternary tin (II) nitride: NaSnN","Chemical Communications","2005","","","","","10.1039/b505208d","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100129","18.8106","0.0015","23.1537","0.0018","28.968","0.002","98.409","0.006","104.443","0.006","102.706","0.006","11645.5","1.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H163 N8 O25.5 -","- C108 H128 N8 O25.5 -","- C432 H512 N32 O102 -","4","2","","Volker Bohmer; Michael Bolte; Yudong Cao.; Myroslav O. Vysotsky; Le-Yong Wang.","Synthesis of Huge Macrocycles Using Twice a Calix[4]arene as Template","Chemical Communications","2005","","","","","10.1039/b505223h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100130","12.6115","0.0001","5.9741","0.0001","24.2313","0.0002","90","","101.681","0.001","90","","1787.83","0.04","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C84 H76 N4 O12 S4 -","4","1","","Villar, Amparo; Hovelmann, Claas H.; Nieger, Martin; Muniz, Kilian","First Direct Osmium-Catalysed Ketamination of Alkenes","Chemical Communications","2005","","","","","10.1039/b505278p","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100131","7.198","0.004","12.339","0.007","12.865","0.008","89.136","0.009","84.562","0.01","82.987","0.01","1129","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 Cu2 N6 O10 -","- C44 H26 Cu2 N6 O10 -","- C44 H26 Cu2 N6 O10 -","1","0.5","","George Newkome; Charles N. Moorefield; Matthew Panzer; Pingshan Wang.","Terpyridine copperII-polycarboxylic acid architectures: formation of dimeric, helical, and cyclic nanostructures and their included-water molecule motifs","Chemical Communications","2005","","","","","10.1039/b505327g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100132","8.728","0.003","18.451","0.007","49.722","0.017","90","","90","","90","","8007","5","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C44 H28 Cu2 N8 O8 -","- C88 H56 Cu4 N16 O22 -","- C352 H224 Cu16 N64 O88 -","4","0.125","","George Newkome; Charles N. Moorefield; Matthew Panzer; Pingshan Wang.","Terpyridine copperII-polycarboxylic acid architectures: formation of dimeric, helical, and cyclic nanostructures and their included-water molecule motifs","Chemical Communications","2005","","","","","10.1039/b505327g","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100133","9.263","0.003","10.844","0.003","12.754","0.004","113.383","0.005","93.11","0.005","111.129","0.005","1067.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Cu2 N8 O14 -","- C44 H28 Cu2 N8 O14 -","- C44 H28 Cu2 N8 O14 -","1","0.5","","George Newkome; Charles N. Moorefield; Matthew Panzer; Pingshan Wang.","Terpyridine copperII-polycarboxylic acid architectures: formation of dimeric, helical, and cyclic nanostructures and their included-water molecule motifs","Chemical Communications","2005","","","","","10.1039/b505327g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100134","15.1012","0.001","17.6792","0.0012","22.9949","0.0016","80.408","0.001","83.655","0.001","77.243","0.001","5886.5","0.7","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C139.19 H128.81 N12.09 Zn2 -","- C139.188 H128.812 N12.094 Zn2 -","- C278.376 H257.624 N24.188 Zn4 -","2","1","","Atsuhiro Osuka; Yasuhide Inokuma; Deok Yun Kim; Dongho Kim; Soo Bum Noh; Noboru Ono; Hidemitsu Uno","Enlarged pai-electronic network of a meso-meso beta-beta, beta-beta triply linked dibenzoporphyrin dimer that exhibits a large two-photon cross section","Chemical Communications","2005","","","","","10.1039/b505340d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277873","2022-09-15","11:31:04",""
"7100135","5.9474","0.0008","19.586","0.002","14.4749","0.0018","90","","97.26","0.004","90","","1672.6","0.4","119","2","119","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C72 H84 N4 O16 S4 -","4","1","","P.A.Evans; J.Sawyer; K.W.Lai; J.C.Huffman","Intermolecular rhodium-catalyzed [2+2+2] carbocyclization reactions of 1,6-enynes with symmetrical and unsymmetrical alkynes","Chemical Communications","2005","","","","","10.1039/b505383h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100136","21.794","0.001","45.754","0.001","12.395","0.001","90","","90","","90","","12359.8","1.2","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C56 H76 Cl2 Hg N2 O12 S2 -","- C56 H76 Cl2 Hg N2 O12 S2 -","- C448 H608 Cl16 Hg8 N16 O96 S16 -","8","1","","de Namor,Angela F. Danil; Eduardo E. Castellano; Samir Chahine; H. Donald Brooke Jenkins; Oscar E. Piro","A Preliminary Observation of Additive Thermodynamic Contribution of Pendant Arms to the Complexation of Calixarene Derivatives with Mercury (II)","Chemical Communications","2005","","","","","10.1039/b505408g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100137","12.1027","0.0016","20.563","0.003","13.6644","0.0018","90","","111.888","0.002","90","","3155.5","0.7","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Mn2 N3 O8.5 P -","- C29 H29 Mn2 N3 O8.5 P -","- C116 H116 Mn8 N12 O34 P4 -","4","1","","A. Carty; Todd Graham; Konstantin A. Udachin","Reactivity of Electrophilic m2-Phosphinidene Complexes with Heterocumulenes: Formation of the First s-p-Aminophosphaimine Complexes [Mn2(CO)8{m-h1,h2-P(NiPr2)=NR}] and Diazoalkane Insertions into Metal-Phosphorus Bonds.","Chemical Communications","2005","","","","","10.1039/b505472a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100138","30.17","0.006","10.6655","0.0019","23.493","0.004","90","","102.347","0.003","90","","7385","2","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 Co2 N O4 P3 -","- C39 H42 Co2 N O4 P3 -","- C312 H336 Co16 N8 O32 P24 -","8","1","","A. Carty; Todd Graham; Konstantin A. Udachin","Reactivity of Electrophilic m2-Phosphinidene Complexes with Heterocumulenes: Formation of the First s-p-Aminophosphaimine Complexes [Mn2(CO)8{m-h1,h2-P(NiPr2)=NR}] and Diazoalkane Insertions into Metal-Phosphorus Bonds.","Chemical Communications","2005","","","","","10.1039/b505472a","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100139","8.8228","0.0011","9.7766","0.0012","28.072","0.003","90","","97.045","0.002","90","","2403.1","0.5","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Mn4 N4 O16 P2 -","- C20 H19 Mn2 N2 O8 P -","- C80 H76 Mn8 N8 O32 P4 -","4","1","","A. Carty; Todd Graham; Konstantin A. Udachin","Reactivity of Electrophilic m2-Phosphinidene Complexes with Heterocumulenes: Formation of the First s-p-Aminophosphaimine Complexes [Mn2(CO)8{m-h1,h2-P(NiPr2)=NR}] and Diazoalkane Insertions into Metal-Phosphorus Bonds.","Chemical Communications","2005","","","","","10.1039/b505472a","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100140","15.7307","0.0013","10.5029","0.0008","15.5917","0.0013","90","","113.01","0.001","90","","2371.1","0.3","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Mn2 N2 O8 P Si -","- C17 H23 Mn2 N2 O8 P Si -","- C68 H92 Mn8 N8 O32 P4 Si4 -","4","1","","A. Carty; Todd Graham; Konstantin A. Udachin","Reactivity of Electrophilic m2-Phosphinidene Complexes with Heterocumulenes: Formation of the First s-p-Aminophosphaimine Complexes [Mn2(CO)8{m-h1,h2-P(NiPr2)=NR}] and Diazoalkane Insertions into Metal-Phosphorus Bonds.","Chemical Communications","2005","","","","","10.1039/b505472a","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100141","6.6736","0.0007","9.5035","0.0009","15.4285","0.0015","104.344","0.002","96.656","0.002","97.44","0.002","928.81","0.16","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Mn2 N O8 P -","- C14 H14 Mn2 N O8 P -","- C28 H28 Mn4 N2 O16 P2 -","2","1","","A. Carty; Todd Graham; Konstantin A. Udachin","Reactivity of Electrophilic m2-Phosphinidene Complexes with Heterocumulenes: Formation of the First s-p-Aminophosphaimine Complexes [Mn2(CO)8{m-h1,h2-P(NiPr2)=NR}] and Diazoalkane Insertions into Metal-Phosphorus Bonds.","Chemical Communications","2005","","","","","10.1039/b505472a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100142","14.22","0.002","16.12","0.002","18.39","0.002","73.37","0.005","89.56","0.007","84.76","0.006","4021.5","0.8","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H72 Cu4 F4 N12 O12 S12 -","- C64 H72 Cu4 F4 N12 O12 S12 -","- C128 H144 Cu8 F8 N24 O24 S24 -","2","1","","Isamu Kinoshita; Rika Tanaka Hamazawa; Masakazu Hirotsu; Riichi Miyamoto; Takanori Nishioka; L.J. Wright","A Two-Dimensional Clathrate Hydrate Sandwiched by Planar Arrays of a Copper Complex","Chemical Communications","2005","","","","","10.1039/b505681k","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"7100143","16.65","0.003","16.85","0.003","23.68","0.003","78.23","0.006","67.42","0.005","84.61","0.006","6004.4","1.7","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C99.5 H105 Cu6 F6 N18 O14.5 S18 -","- C99.5 H96.5 Cu6 F6 N18 O14.5 S18 -","- C199 H193 Cu12 F12 N36 O29 S36 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b505681k","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"7100144","14.3168","0.0012","14.7242","0.0012","18.7652","0.0015","90","","102.536","0.002","90","","3861.5","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C53 H39 N Si -","- C53 H39 N Si -","- C212 H156 N4 Si4 -","4","1","","Mi, Baoxiu; Dong, Yongqiang; Li, Zhen; Lam, Jacky W. Y.; Häußler, Matthias; Sung, Herman H. Y.; Kwok, Hoi-Sing; Dong, Yuping; Williams, Ian D.; Liu, Yunqi; Luo, Yi; Shuai, Zhigang; Zhu, Daoben; Tang, Ben Zhong","Making silole photovoltaically active by attaching carbazolyl donor groups to the silolyl acceptor core","Chemical Communications","2005","","","3583","3585","10.1039/b505683g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100145","13.9626","0.0005","13.9626","0.0005","7.4577","0.0005","90","","90","","120","","1259.12","0.11","100","2","100","2","","","","","","","","6","P -3","-P 3","147","1","","","- C24 H27 Ag B3 F6 N6 -","- C24 H27 Ag B F4 N6 -","- C48 H54 Ag2 B2 F8 N12 -","2","0.333333","","L. Barbour; Liliana Dobrzanska; Helgard G. Raubenheimer","Borromean sheets assembled by self-supporting argentophilic interactions","Chemical Communications","2005","","","","","10.1039/b505784a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100146","9.0119","0.0009","34.547","0.007","46.453","0.009","89.623","0.004","85.25","0.009","89.862","0.011","14412","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C183 H127 Cl48 Co6 N17 O35 -","- C183 H85 Cl48 Co6 N17 O35 -","- C366 H170 Cl96 Co12 N34 O70 -","2","1","","J. Veciana; Neus Domingo; Joan-Manuel Hernandez; F. Lloret; Daniel Maspoch; C. Rovira; Daniel Ruiz-Molina; Javier Tejada; Gavin Vaughan; Klaus Wurst","Ferromagnetic interactions in a metal-organic radical-based (6,3)-helical network with large channels","Chemical Communications","2005","","","","","10.1039/b505827a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100147","26.518","0.002","17.1036","0.0011","20.3798","0.0017","90","","90","","90","","9243.4","1.2","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H74 B9 Mo2 N3 O6 -","- C37 H74 B9 Mo2 N3 O6 -","- C296 H592 B72 Mo16 N24 O48 -","8","2","","P. Lei; T.D. McGrath; F.G.A. Stone","The bis-molybdenum(0) trianion [1,3,6-{Mo(CO)~3~}-3,6-(μ-H)~2~-1,1,1- (CO)~3~-2-Ph-closo-1,2-MoCB~9~H~7~]^3-^ and its use as a scaffold in the assembly of heteropolymetallic complexes","Chemical Communications","2005","","","","","10.1039/b505841d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100148","14.4426","0.0009","22.8219","0.0014","15.1963","0.001","90","","101.002","0.003","90","","4916.8","0.5","110","2","110","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H59 B9 Cl Mo N O3 P2 Pt -","- C44.5 H59 B9 Cl Mo N O3 P2 Pt -","- C178 H236 B36 Cl4 Mo4 N4 O12 P8 Pt4 -","4","1","","P. Lei; T.D. McGrath; F.G.A. Stone","The bis-molybdenum(0) trianion [1,3,6-{Mo(CO)~3~}-3,6-(μ-H)~2~-1,1,1- (CO)~3~-2-Ph-closo-1,2-MoCB~9~H~7~]^3-^ and its use as a scaffold in the assembly of heteropolymetallic complexes","Chemical Communications","2005","","","","","10.1039/b505841d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100149","56.424","0.003","11.4786","0.0005","38.7221","0.0017","90","","129.652","0.001","90","","19309.1","1.5","110","2","110","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C40.125 H40.25 B9 Cl2.25 Mn Mo O6 P2 Pt -","- C40.125 H40.25 B9 Cl2.25 Mn Mo O6 P2 Pt -","- C642 H644 B144 Cl36 Mn16 Mo16 O96 P32 Pt16 -","16","2","","P. Lei; T.D. McGrath; F.G.A. Stone","The bis-molybdenum(0) trianion [1,3,6-{Mo(CO)~3~}-3,6-(μ-H)~2~-1,1,1- (CO)~3~-2-Ph-closo-1,2-MoCB~9~H~7~]^3-^ and its use as a scaffold in the assembly of heteropolymetallic complexes","Chemical Communications","2005","","","","","10.1039/b505841d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100150","15.8482","0.0007","24.0593","0.0012","20.0462","0.0009","90","","90.259","0.002","90","","7643.5","0.6","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H54 B9 Mn Mo N2 O6 -","- C29 H54 B9 Mn Mo N2 O6 -","- C232 H432 B72 Mn8 Mo8 N16 O48 -","8","2","","P. Lei; T.D. McGrath; F.G.A. Stone","The bis-molybdenum(0) trianion [1,3,6-{Mo(CO)~3~}-3,6-(μ-H)~2~-1,1,1- (CO)~3~-2-Ph-closo-1,2-MoCB~9~H~7~]^3-^ and its use as a scaffold in the assembly of heteropolymetallic complexes","Chemical Communications","2005","","","","","10.1039/b505841d","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100151","26.209","0.002","26.209","0.002","12.7517","0.0016","90","","90","","120","","7586.1","1.3","173","2","173","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C80 H91.33 Cd Cl6 N6 O20.67 -","- C80 H80 Cd Cl6 N6 O20.6667 -","- C240 H240 Cd3 Cl18 N18 O62 -","3","0.5","","Wenbin Lin; Chuan-De Wu","A chiral porous 3D metal-organic framework with an unprecdented 4-connected network topology","Chemical Communications","2005","","","","","10.1039/b505916j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100152","7.8368","0.0004","15.0948","0.0007","20.6056","0.001","90","","90","","90","","2437.5","0.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Ag B F4 N2 O -","- C11 H8 Ag B F4 N2 O -","- C88 H64 Ag8 B8 F32 N16 O8 -","8","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100153","7.9427","0.0005","15.0779","0.001","20.8084","0.0014","90","","90","","90","","2492","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Ag Cl N2 O5 -","- C11 H8 Ag Cl N2 O5 -","- C88 H64 Ag8 Cl8 N16 O40 -","8","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100154","7.5654","0.0005","15.1624","0.001","20.531","0.0013","90","","90","","90","","2355.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Ag N3 O4 -","- C11 H8 Ag N3 O4 -","- C88 H64 Ag8 N24 O32 -","8","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100155","7.2786","0.0015","15.972","0.003","21.4","0.004","90","","90","","90","","2487.9","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Ag Cl N2 O4 -","- C11 H8 Ag Cl N2 O4 -","- C88 H64 Ag8 Cl8 N16 O32 -","8","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100156","7.1774","0.0004","15.4432","0.0009","20.6586","0.0011","90","","90","","90","","2289.8","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Ag N3 O3 -","- C11 H8 Ag N3 O3 -","- C88 H64 Ag8 N24 O24 -","8","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100157","7.0155","0.0003","15.5043","0.0007","21.0588","0.001","90","","90","","90","","2290.57","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Ag N2 O3 -","- C12 H9 Ag N2 O3 -","- C96 H72 Ag8 N16 O24 -","8","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100158","7.7108","0.0017","9.253","0.002","10.785","0.002","90.692","0.005","93.506","0.005","112.214","0.004","710.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 Ag F3 N2 O3 -","- C13 H8 Ag F3 N2 O3 -","- C26 H16 Ag2 F6 N4 O6 -","2","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100159","9.1591","0.0013","9.2888","0.0013","10.1933","0.0014","88.633","0.003","70.997","0.002","64.43","0.002","732.69","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H8 Ag F3 N2 O4 S -","- C12 H8 Ag F3 N2 O4 S -","- C24 H16 Ag2 F6 N4 O8 S2 -","2","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100160","13.6369","0.0007","7.0728","0.0004","20.1423","0.001","90","","90.196","0.001","90","","1942.74","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Ag F6 N4 O P -","- C15 H14 Ag F6 N4 O P -","- C60 H56 Ag4 F24 N16 O4 P4 -","4","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100161","18.8479","0.0019","16.3926","0.0017","10.1499","0.001","90","","90","","90","","3136","0.5","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H42 B Br Mg N6 -","- C28 H42 B Br Mg N6 -","- C112 H168 B4 Br4 Mg4 N24 -","4","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505985b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100162","18.9117","0.0019","16.2675","0.0017","10.125","0.001","90","","90","","90","","3114.9","0.5","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H42 B Br Fe N6 -","- C28 H42 B Br Fe N6 -","- C112 H168 B4 Br4 Fe4 N24 -","4","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505985b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100163","4.9826","0.0019","22.066","0.01","24.319","0.009","90","","90","","90","","2673.7","1.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22.25 H22 Cl F2 N2 O6 -","- C22.25 H22 Cl F2 N2 O6 -","- C89 H88 Cl4 F8 N8 O24 -","4","1","","D. O'Hagan; Martin Schuler; A. Slawin","The C-F bond as a tool for influencing peptide conformation","Chemical Communications","2005","","","","","10.1039/b506010a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100164","11.121","0.002","6.1323","0.001","30.671","0.006","90","","90.179","0.006","90","","2091.8","0.7","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 F2 N2 O6 -","- C22 H22 F2 N2 O6 -","- C88 H88 F8 N8 O24 -","4","2","","D. O'Hagan; Martin Schuler; A. Slawin","The C-F bond as a tool for influencing peptide conformation","Chemical Communications","2005","","","","","10.1039/b506010a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100165","13.414","0.003","18.126","0.004","24.712","0.005","73.28","0.03","87.08","0.03","79.42","0.03","5657","2","188","2","188","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H188 O60 Si9 -","- C100 H186 O10 Si9 -","- C200 H372 O20 Si18 -","2","1","","Rebek Junior,J.; Frank Hauke; Andrew J.Myles","Lower Rim Mono-Functionalization of Resorcinarenes","Chemical Communications","2005","","","","","10.1039/b506048f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100166","13.5921","0.0003","17.9777","0.0005","18.9909","0.0005","72.997","0.002","82.98","0.002","85.769","0.002","4400.87","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H76.5 Cl4 Cu2 N14.5 O28.5 S4 -","- C77 H75.5 Cl4 Cu2 N14.5 O28.5 S4 -","- C154 H151 Cl8 Cu4 N29 O57 S8 -","2","1","","Craig Rice; Christian J. Baylies; J. Jeffery; T. A. Miller; T. Riis-Johanessen","A Dinuclear Double Helicate with a Reprogrammable Pitch Length.","Chemical Communications","2005","","","","","10.1039/b506199g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100167","13.5033","0.0003","17.4605","0.0004","21.8269","0.0005","93.053","0.002","94.952","0.002","106.653","0.001","4895.55","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H77 Cl6 Cu2 N15 Na2 O36 S4 -","- C77 H75.5 Cl6 Cu2 N14.5 Na2 O36 S4 -","- C154 H151 Cl12 Cu4 N29 Na4 O72 S8 -","2","1","","Craig Rice; Christian J. Baylies; J. Jeffery; T. A. Miller; T. Riis-Johanessen","A Dinuclear Double Helicate with a Reprogrammable Pitch Length.","Chemical Communications","2005","","","","","10.1039/b506199g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100168","14.11","0.0003","19.0281","0.0005","19.2925","0.0005","73.495","0.001","80.584","0.001","75.378","0.001","4781.9","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H72 Ba2 Cl8 Cu2 N12 O46 S4 -","- C72 H68 Ba2 Cl8 Cu2 N12 O46 S4 -","- C144 H136 Ba4 Cl16 Cu4 N24 O92 S8 -","2","1","","Craig Rice; Christian J. Baylies; J. Jeffery; T. A. Miller; T. Riis-Johanessen","A Dinuclear Double Helicate with a Reprogrammable Pitch Length.","Chemical Communications","2005","","","","","10.1039/b506199g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100169","18.9494","0.0016","25.4504","0.0018","22.77","0.002","90","","112.518","0.005","90","","10144.2","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H83 Cl6 Cu2 Li2 N17 O36 S4 -","- C78 H77 Cl6 Cu2 Li2 N15 O36 S4 -","- C312 H308 Cl24 Cu8 Li8 N60 O144 S16 -","4","1","","Craig Rice; Christian J. Baylies; J. Jeffery; T. A. Miller; T. Riis-Johanessen","A Dinuclear Double Helicate with a Reprogrammable Pitch Length.","Chemical Communications","2005","","","","","10.1039/b506199g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100170","12.8425","0.0005","22.6356","0.0009","23.927","0.0009","109.383","0.001","96.183","0.001","104.859","0.001","6198.5","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C69.25 H57.25 Ag2 N0.25 O2.25 P3 Se2 -","- C69.25 H57.25 Ag2 N0.25 O2.25 P3 Se2 -","- C277 H229 Ag8 N O9 P12 Se8 -","4","2","","Jagadese Vittal; Chris Boothroyd; Meng Tack Ng","Shape and size control of Ag2Se nanocrystals from single precursor [(Ph3P)3Ag2(SeC{O}Ph)2]","Chemical Communications","2005","","","","","10.1039/b506203a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100171","19.3478","0.0003","12.5755","0.0002","16.6032","0.0002","90","","107.232","0.001","90","","3858.37","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Ag2 N6 O3 -","- C42 H46 Ag2 N6 O3 -","- C168 H184 Ag8 N24 O12 -","4","0.5","","A. Charette; Christopher Kendall; Claude Y. Legault","Structure and Reactivity of a New Anionic N-Heterocyclic Carbene Silver(I) Complex","Chemical Communications","2005","","","","","10.1039/b506232b","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100172","10.6331","0.0002","13.8447","0.0002","21.9638","0.0004","90","","91.223","0.001","90","","3232.6","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cu N6 O2 -","- C38 H36 Cu N6 O2 -","- C152 H144 Cu4 N24 O8 -","4","1","","A. Charette; Christopher Kendall; Claude Y. Legault","Structure and Reactivity of a New Anionic N-Heterocyclic Carbene Silver(I) Complex","Chemical Communications","2005","","","","","10.1039/b506232b","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100173","17.252","0.004","8.9108","0.0018","20.212","0.004","90","","90","","90","","3107.1","1.1","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H46 Al B2 N4 -","- C28 H46 Al B2 N4 -","- C112 H184 Al4 B8 N16 -","4","0.5","","C. T; B. Rene; E. Dana; F. Chantall; S. Gabriele; T.Heikki M.","Stable Spirocyclic Neutral Radicals: Aluminum and Gallium Boraamidinates","Chemical Communications","2005","","","","","10.1039/b506253e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100174","17.173","0.003","8.9446","0.0018","20.337","0.004","90","","90","","90","","3123.8","1.1","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H46 B2 Ga N4 -","- C28 H46 B2 Ga N4 -","- C112 H184 B8 Ga4 N16 -","4","0.5","","C. T; B. Rene; E. Dana; F. Chantall; S. Gabriele; T. Heikki M.","Stable Spirocyclic Neutral Radicals: Aluminum and Gallium Boraamidinates","Chemical Communications","2005","","","","","10.1039/b506253e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100175","8.512","0.005","22.951","0.012","11.753","0.006","90","","110.2","0.01","90","","2155","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N2 O11 Ru3 -","- C16 H8 N2 O11 Ru3 -","- C64 H32 N8 O44 Ru12 -","4","1","","Javier A. Cabeza; I.del Rio; M. Gabriela Sanchez-Vega; Daniel Miguel","Easy activation of two CH bonds of an N-heterocyclic carbene N-methyl group","Chemical Communications","2005","","","","","10.1039/b506287j","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100176","10.455","0.008","9.915","0.008","18.843","0.015","90","","95.799","0.016","90","","1943","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N2 O9 Ru3 -","- C14 H8 N2 O9 Ru3 -","- C56 H32 N8 O36 Ru12 -","4","1","","Javier A. Cabeza; I.del Rio; M. Gabriela Sanchez-Vega; Daniel Miguel","Easy activation of two CH bonds of an N-heterocyclic carbene N-methyl group","Chemical Communications","2005","","","","","10.1039/b506287j","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100177","12.915","0.004","13.155","0.004","18.436","0.007","96.35","0.02","93.73","0.02","111.56","0.02","2876.2","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 N2 O Pt Si2 -","- C25 H44 N2 O Pt Si2 -","- C100 H176 N8 O4 Pt4 Si8 -","4","2","","I. Marko; Guillaume Berthon; Paul Branlard; Jean-Francois Briere; Olivier Buisine; J.-P. Declercq; Gerard Mignani; Sebastien Sterin; Bernard Tinant","Second Generation N-Heterocyclic Carbene-Pt(0) Complexes as Efficient Catalysts for the Hydrosilylation of Alkenes.","Chemical Communications","2005","","","","","10.1039/b506369h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100178","11.225","0.002","11.237","0.002","12.435","0.003","95.87","0.03","103.14","0.03","118.47","0.03","1301.4","0.4","283","2","283","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 N4 O18 Zn5 -","- C56 H34 N4 O18 Zn5 -","- C56 H34 N4 O18 Zn5 -","1","0.5","","Enbo Wang; S. Batten; Chao Qin; Zhongmin Su; Xinlong Wang; Lin Xu","An unprecedented eight-connected self-penetrating network based on pentanuclear zinc clusters as building blocks","Chemical Communications","2005","","","","","10.1039/b506398a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100179","8.654","0.0004","8.868","0.0005","14.316","0.0009","86.745","0.003","82.838","0.003","61.349","0.003","956.61","0.09","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H32 N6 -","- C52 H32 N6 -","- C52 H32 N6 -","1","0.5","","Chien-Tien Chen; Chin-Hsiung Chien; Jin-Sheng Lin; Yi-Wen Lin; Murthy V. R. K. Moturu; Yu-Tai Tao","Doubly Ortho-linked Quinoxaline/Triarylamine Hybrid as a Bifunctional, Dipolar Electroluminescent Template for Optoelectronic Applications","Chemical Communications","2005","","","","","10.1039/b506409k","","","","","","","0.0602","","","0.1484","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100180","10.655","0.002","23.169","0.004","24.861","0.004","90","","92.94","0.004","90","","6128.9","1.6","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C65 H40 N6 -","- C65 H40 N6 -","- C260 H160 N24 -","4","1","","Chien-Tien Chen; Chin-Hsiung Chien; Jin-Sheng Lin; Yi-Wen Lin; Murthy V. R. K. Moturu; Yu-Tai Tao","Doubly Ortho-linked Quinoxaline/Triarylamine Hybrid as a Bifunctional, Dipolar Electroluminescent Template for Optoelectronic Applications","Chemical Communications","2005","","","","","10.1039/b506409k","","","","","","","0.092","","","0.118","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100181","11.012","0.004","14.223","0.006","15.175","0.007","90","","90","","90","","2376.7","1.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H21 N3 -","- C34 H21 N3 -","- C136 H84 N12 -","4","1","","Chien-Tien Chen; Chin-Hsiung Chien; Jin-Sheng Lin; Yi-Wen Lin; Murthy V. R. K. Moturu; Yu-Tai Tao","Doubly Ortho-linked Quinoxaline/Triarylamine Hybrid as a Bifunctional, Dipolar Electroluminescent Template for Optoelectronic Applications","Chemical Communications","2005","","","","","10.1039/b506409k","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7100182","10.718","0.002","10.718","0.002","10.718","0.002","90","","90","","90","","1231.3","0.4","293","2","293","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C5 H2 Cr Mn N6 O2 -","- C4.9998 Cr Mn N6 O2.0002 -","- C19.9992 Cr4 Mn4 N24 O8.0008 -","4","0.0208333","","Dai-Zheng Liao.; Peng Cheng.; Zong-Hui Jiang.; Yan Ouyang.; Kaziyoshi Yoshimura; Wei Zhang.; Huibo Zhou.; Mi-Na Zhu.","Structure and Magnetic Properties of a new Ferrimagnet containing paramagnetic [Cr(CN)5(NO)]3 C building block.","Chemical Communications","2005","","","","","10.1039/b506465a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100183","28.13","0.03","19.7","0.03","18.13","0.03","90","","103.83","0.06","90","","9756","23","123.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C104 H98 F30 N8 -","- C104 H98 F30 N8 -","- C416 H392 F120 N32 -","4","0.5","","M. Suzuki","","Chemical Communications","2005","","","","","10.1039/b506586k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100184","13.731","0.008","20.42","0.01","22.93","0.01","90","","90.13","0.05","90","","6429","6","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H20 Cl6 F30 N6 -","- C70 H20 Cl6 F30 N6 -","- C280 H80 Cl24 F120 N24 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b506586k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100185","34.11","0.05","6.491","0.009","14.94","0.03","90","","106.88","0.06","90","","3165","8","123.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C70 H24 Cl4 F30 N6 -","- C70 H24 Cl4 F30 N6 -","- C140 H48 Cl8 F60 N12 -","2","0.5","","","","Chemical Communications","2005","","","","","10.1039/b506586k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100186","8.755","0.0003","20.7786","0.0007","34.4075","0.0013","90","","90","","90","","6259.3","0.4","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 O12 Sc2 -","- C24 H12 O12.128 Sc2 -","- C192 H96 O97.024 Sc16 -","8","0.25","","S.R.Miller; P.A.Wright; C.Serre; T.Loiseau; J.Marrot; G.Ferey","A microporous scandium terephthalate, Sc~2~(O~2~CC~6~H~4~CO~2~)~3~, with high thermal stability","Chemical Communications","2005","","","","","10.1039/b506677h","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100187","5.6653","0.0009","9.9138","0.001","35.868","0.003","82.928","0.008","89.815","0.01","81.801","0.01","1978.6","0.4","293","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H71 N O7 -","- C38 H71 N O7 -","- C76 H142 N2 O14 -","2","1","","Richard Gandour; B. Scott Day; Brett L. Kite; Melinda K. McPherson; John R. Morris; C. Slebodnik; Andre A. Williams","Homologous, Long-chain Alkyl Dendrons Form Homologous Thin Films on Silver Oxide Surfaces.","Chemical Communications","2005","","","","","10.1039/b506710c","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100188","5.4497","0.0008","15.755","0.002","29.52","0.004","93.557","0.011","91.632","0.011","91.894","0.012","2527.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H43 N O7 -","- C24 H43 N O7 -","- C96 H172 N4 O28 -","4","2","","Richard Gandour; B. Scott Day; Brett L. Kite; Melinda K. McPherson; John R. Morris; C. Slebodnik; Andre A. Williams","Homologous, Long-chain Alkyl Dendrons Form Homologous Thin Films on Silver Oxide Surfaces.","Chemical Communications","2005","","","","","10.1039/b506710c","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100189","9.408","0.003","9.439","0.003","10.739","0.002","64.31","0.02","75.94","0.02","78","0.02","827.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Bis[dimethyl(cupferronato)tin(IV)]","","","- C28 H32 N8 O8 Sn2 -","- C28 H32 N8 O8 Sn2 -","- C28 H32 N8 O8 Sn2 -","1","0.5","","Andrea Deak; Gabor Tarkanyi","Solid-State and Melt Demethylation of the [Me3Sn(PhN2O2)]4 Tetramer into Dimeric [Me2Sn(PhN2O2)2]2 : A Thermally Induced Methyl-Transfer between Supramolecules","Chemical Communications","2005","","","","","10.1039/b506728f","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100190","9.1878","0.0018","14.344","0.003","15.575","0.003","90","","90","","90","","2052.7","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 Li N3 -","- C19 H36 Li N3 -","- C76 H144 Li4 N12 -","4","1","","Philip Dyer; John Fawcett; Gerry A. Griffith; Martin J. Hanton; Celine Olivier; A.R. Patterson; Samuel Suhard","Sterically-controlled regioselective para-substitutions of aniline","Chemical Communications","2005","","","","","10.1039/b506824j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100191","12.7372","","4.69546","","15.17928","","90","","90","","90","","907.827","","295","","295","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- B7 Cu H2 Na O13 -","- B7 Cu Na O13 -","- B28 Cu4 Na4 O52 -","4","0.5","","Tao Yang; Guobao Li; Liping You; Jing Ju; Fuhui Liao; Jianhua Lin","MCuB7O12 nH2O (M=Na, K ): A new copper borate with 14-ring channel","Chemical Communications","2005","","","","","10.1039/b506901g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100192","12.6406","","4.75296","","15.38502","","90","","90","","90","","924.336","","295","","295","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- B7 Cu H2 K O13 -","- B7 Cu K O13 -","- B28 Cu4 K4 O52 -","4","0.5","","Tao Yang; Guobao Li; Liping You; Jing Ju; Fuhui Liao; Jianhua Lin","MCuB7O12 nH2O (M=Na, K ): A new copper borate with 14-ring channel","Chemical Communications","2005","","","","","10.1039/b506901g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100193","12.4045","0.0008","18.6683","0.0016","20.5603","0.0014","90","","97.167","0.005","90","","4724","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 Eu F12 N2 O8 S4 -","- C42 H35 Eu F12 N2 O8 S4 -","- C168 H140 Eu4 F48 N8 O32 S16 -","4","1","","P.Nockemann; E.Beurer; K.Driesen; R.Van Deun; K.Van Hecke; K. Binnemans","","Chemical Communications","2005","","","","","10.1039/b506915g","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100194","9.1602","0.0016","10.6414","0.0019","12.088","0.002","81.181","0.003","80.027","0.003","66.679","0.003","1061","0.3","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C44 H68 O10 -","2","1","","G. Mehta; Kotapalli Pallavi; Jayant D. Umarye","A total synthesis of Guanacastepene C","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100195","8.1836","0.0007","10.6011","0.001","16.4345","0.0016","90","","90","","90","","1425.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N4 O4 -","- C13 H18 N4 O4 -","- C52 H72 N16 O16 -","4","1","","Parthasarathi Dastidar; Amitava Das; D.Amilan Jose; D.Krishna Kumar","First Snapshot of A Nonpolymeric Hydrogelator Interacting with its Gelling solvents","Chemical Communications","2005","","","","","10.1039/b506941f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100196","9.8236","0.0012","10.2628","0.0012","13.9993","0.0017","101.696","0.002","95.602","0.002","101.734","0.002","1338.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Cl2 N8 O5.32 -","- C22 H28 Cl2 N8 O5.32 -","- C44 H56 Cl4 N16 O10.64 -","2","1","","Parthasarathi Dastidar; Amitava Das; D.Amilan Jose; D.Krishna Kumar","First Snapshot of A Nonpolymeric Hydrogelator Interacting with its Gelling solvents","Chemical Communications","2005","","","","","10.1039/b506941f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100197","13.713","0.006","6.977","0.003","10.013","0.004","90","","90","","90","","957.9","0.7","100","2","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C11 H10 N4 O -","- C11 H10 N4 O -","- C44 H40 N16 O4 -","4","","","Parthasarathi Dastidar; Amitava Das; D.Amilan Jose; D.Krishna Kumar","First Snapshot of A Nonpolymeric Hydrogelator Interacting with its Gelling solvents","Chemical Communications","2005","","","","","10.1039/b506941f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100198","13.073","0.004","11.793","0.007","22.678","0.008","90","","100.03","0.03","90","","3443","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H19 N6 O3.5 -","- C16.5 H19 N6 O3.5 -","- C132 H152 N48 O28 -","8","1","","Parthasarathi Dastidar; Amitava Das; D.Amilan Jose; D.Krishna Kumar","First Snapshot of A Nonpolymeric Hydrogelator Interacting with its Gelling solvents","Chemical Communications","2005","","","","","10.1039/b506941f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100199","6.0252","0.0004","12.4955","0.0009","13.2849","0.0009","62.799","0.001","84.221","0.002","84.295","0.001","883.45","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 B O6 -","- C18 H23 B O6 -","- C36 H46 B2 O12 -","2","1","","Yoshihiko Yamamoto; Kozo Hattori; Jun-ichi Ishii; Keiji Itoh; Hisao Nishiyama","Synthesis of bi- and tricyclic arylboronates via Cp*RuCl-catalyzed cycloaddition of ?,?-diynes with ethynylboronate","Chemical Communications","2005","","","","","10.1039/b506977g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100200","11.9892","0.0002","6.8589","0.0001","13.2344","0.0002","90","","93.282","0.001","90","","1086.52","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H28 Cu2 N16 -","- C12 H28 Cu2 N16 -","- C24 H56 Cu4 N32 -","2","1","","Chang Seop Hong; Sang Jun Oh; Jung Hee Yoon; Young Sin You","Chiral azide-bridged two-dimensional Cu(II) compounds showing a field-induced spin-flop transition","Chemical Communications","2005","","","","","10.1039/b507051a","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100201","12.0004","0.0004","6.8589","0.0002","13.2287","0.0004","90","","93.281","0.001","90","","1087.06","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H28 Cu2 N16 -","- C12 H28 Cu2 N16 -","- C24 H56 Cu4 N32 -","2","1","","Chang Seop Hong; Sang Jun Oh; Jung Hee Yoon; Young Sin You","Chiral azide-bridged two-dimensional Cu(II) compounds showing a field-induced spin-flop transition","Chemical Communications","2005","","","","","10.1039/b507051a","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100202","9.5431","0.0006","12.4438","0.0008","13.3198","0.0009","90","","105.165","0.001","90","","1526.68","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ag F3 N2 O4 S -","- C12 H8 Ag F3 N2 O4 S -","- C48 H32 Ag4 F12 N8 O16 S4 -","4","1","","T. C. W. Mak; Xu-Dong Chen; Miao Du","Controlled Generation of Heterochiral or Homochiral Coordination Polymer: Helical Conformational Polymorphs and Argentophilicity-Induced Spontaneous Resolution","Chemical Communications","2005","","","","","10.1039/b507363d","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100203","10.2355","0.0004","10.2355","0.0004","28.105","0.002","90","","90","","90","","2944.4","0.3","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C12 H8 Ag F3 N2 O4 S -","- C12 H8 Ag F3 N2 O4 S -","- C96 H64 Ag8 F24 N16 O32 S8 -","8","1","","T. C. W. Mak; Xu-Dong Chen; Miao Du","Controlled Generation of Heterochiral or Homochiral Coordination Polymer: Helical Conformational Polymorphs and Argentophilicity-Induced Spontaneous Resolution","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100204","10.2364","0.0004","10.2364","0.0004","28.109","0.002","90","","90","","90","","2945.4","0.3","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 Ag F3 N2 O4 S -","- C12 H8 Ag F3 N2 O4 S -","- C96 H64 Ag8 F24 N16 O32 S8 -","8","1","","T. C. W. Mak; Xu-Dong Chen; Miao Du","Controlled Generation of Heterochiral or Homochiral Coordination Polymer: Helical Conformational Polymorphs and Argentophilicity-Induced Spontaneous Resolution","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100205","10.4226","0.0002","11.4979","0.0002","14.9892","0.0002","90","","95.392","0.001","90","","1788.33","0.05","173","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 O S -","- C23 H22 O S -","- C92 H88 O4 S4 -","4","2","","Gareth J. Rowlands; Rakesh Parmar","The facile synthesis of enantiomerically pure 4-substituted [2.2]paracyclophanes","Chemical Communications","2005","","","","","10.1039/b507394d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100206","8.1055","0.0002","14.4647","0.0004","15.233","0.0005","90","","90","","90","","1785.97","0.09","173","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O S -","- C23 H22 O S -","- C92 H88 O4 S4 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b507394d","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100207","12.717","0.003","12.717","0.003","13.457","0.006","90","","90","","90","","2176.2","1.1","173","2","173","2","","","","","","","","3","P 4/n :2","-P 4a","85","Pentyl","","","- C48 H64 O4 -","- C47.988 H64 O4 -","- C95.976 H128 O8 -","2","0.25","","J. L. Atwood; Leonard J. Barbour; Praveen Kumar Thallapally; Trevor B. Wirsig","Crystal engineering of nonporous organic solids for methane sorption","Chemical Communications","2005","","","","","10.1039/b507406a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100208","11.2841","0.0009","5.5991","0.0004","22.8642","0.0018","90","","95.695","0.001","90","","1437.45","0.19","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 B2 O4 -","- C18 H12 B2 O4 -","- C72 H48 B8 O16 -","4","0.5","","John Lavigne; Weijun Niu.; Brett M. Rambo; Mark D. Smith","Substituent Effects on the Structure and Supramolecular Assembly of Bis(dioxaborole)s","Chemical Communications","2005","","","","","10.1039/b507475d","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100209","4.8191","0.0005","9.7761","0.001","14.2815","0.0014","77.386","0.002","82.507","0.002","84.416","0.002","649.33","0.11","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 B2 O4 -","- C30 H36 B2 O4 -","- C30 H36 B2 O4 -","1","0.5","","John Lavigne; Weijun Niu.; Brett M. Rambo; Mark D. Smith","Substituent Effects on the Structure and Supramolecular Assembly of Bis(dioxaborole)s","Chemical Communications","2005","","","","","10.1039/b507475d","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100210","16.205","0.004","20.186","0.005","22.101","0.005","90","","91.94","0.03","90","","7225","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H56 Cl N8 O46 V16 -","- C40 H42 Cl N8 O46 V16 -","- C160 H168 Cl4 N32 O184 V64 -","4","0.5","","M. Khan; Samar Ayesh; Robert Doedens","Synthesis and characterization of a novel polyoxovanadate cluster","Chemical Communications","2005","","","","","10.1039/b507531a","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100211","10.714","0.004","14.256","0.002","18.824","0.007","90","","90","","90","","2875.2","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 Mn O7 P2 S -","- C29 H21 Mn O7 P2 S -","- C116 H84 Mn4 O28 P8 S4 -","4","1","","Javier Ruiz; Mario Ceroni; Santiago Garcia-Granda; Marta Gonzalo; F.van der Maelen; M.Vivanco","New approach to sulfonated diphosphines: synthesis and amphoteric behaviour of the zwitterionic complex [Mn+(CO)4{(PPh2)2C(H)SO3-}]","Chemical Communications","2005","","","","","10.1039/b507600e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100212","11.0956","0.0008","16.0377","0.0011","26.6878","0.0019","89.935","0.002","89.931","0.001","77.387","0.001","4634.4","0.6","100","","100","2","","","","","","","","4","P -1","-P 1","2","Dianin Morpholine Clathrate","","","- C58 H69 N O7 -","- C58 H69 N O7 -","- C232 H276 N4 O28 -","4","2","","Javier Ruiz; Mario Ceroni; Santiago Garcia-Granda; Marta Gonzalo; F.van der Maelen; M. Vivanco","New approach to sulfonated diphosphines: synthesis and amphoteric behaviour of the zwitterionic complex [Mn+(CO)4{(PPh2)2C(H)SO3-}]","Chemical Communications","2005","","","","","10.1039/b507726e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100213","14.6804","0.0013","20.348","0.002","25.125","0.002","74.108","0.001","74.961","0.001","70.241","0.001","6677","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.25 H51.25 Cd2 Cl9.75 N8 O8 -","- C48.25 H50.25 Cd2 Cl6.75 N8 O8 -","- C193 H201 Cd8 Cl27 N32 O32 -","4","2","","Jason Love; A. Blake; Gonzalo Givaja; M. Schroder; Claire Wilson","Metal-directed ring expansion in Schiff-base polypyrollic macrocycles","Chemical Communications","2005","","","","","10.1039/b507729j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100214","12.124","0.002","14.423","0.002","27.71","0.004","87.11","0.002","81.228","0.002","80.73","0.002","4724","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H88 Cl15 N12 O13 Zn3 -","- C78 H87 Cl15 N12 O13 Zn3 -","- C156 H174 Cl30 N24 O26 Zn6 -","2","1","","Jason Love; A. Blake; Gonzalo Givaja; M. Schroder; Claire Wilson","Metal-directed ring expansion in Schiff-base polypyrollic macrocycles","Chemical Communications","2005","","","","","10.1039/b507729j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100215","29.719","0.003","35.321","0.004","30.651","0.003","90","","98.367","0.002","90","","31832","6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H202 Cl2 Fe22 N6 O91 -","- C72 H129 Cl2 Fe22 N6 O79 -","- C576 H1032 Cl16 Fe176 N48 O632 -","8","1","","George Christou; Khalil Abboud; Dolos Foguet-Albiol","High-nuclearity homometallic iron and nickel clusters: Fe22 and Ni24 complexes from the use of N-methyldiethanolamine","Chemical Communications","2005","","","","","10.1039/b507748f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100216","38.9497","0.0006","38.9497","0.0006","38.9497","0.0006","90","","90","","90","","59089.8","1.6","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C210 H474 N6 Ni24 O156 -","- C126 H234 N6 Ni24 O102 -","- C1008 H1872 N48 Ni192 O816 -","8","0.166667","","George Christou; Khalil Abboud; Dolos Foguet-Albiol","High-nuclearity homometallic iron and nickel clusters: Fe22 and Ni24 complexes from the use of N-methyldiethanolamine","Chemical Communications","2005","","","","","10.1039/b507748f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100217","15.874","0.005","11.407","0.004","29.333","0.01","90","","101.599","0.007","90","","5203","3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Cl2 Fe2 N8 O17 -","- C46 H58 Cl2 Fe2 N8 O17 -","- C184 H232 Cl8 Fe8 N32 O68 -","4","1","","Elena Rybak-Akimova; Bruce M. Foxman; L.Que Junior; Sonia Taktak","Ortho-hydroxylation of benzoic acids with hydrogen peroxide at a non-heme iron center","Chemical Communications","2005","","","","","10.1039/b508004e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100218","11.741","0.002","12.072","0.002","21.838","0.004","83.52","0.03","82.33","0.03","74.75","0.03","2949.8","1","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H58 Ce Fe2 N17 O21 -","- C45 H58 Ce Fe2 N17 O21 -","- C90 H116 Ce2 Fe4 N34 O42 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b508004e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100219","9.8575","0.0003","10.7013","0.0004","14.9705","0.0006","80.852","0.0008","75.931","0.003","89.953","0.0006","1511.17","0.09","253","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 I O3 -","- C15 H17 I O3 -","- C60 H68 I4 O12 -","4","2","","Chunling Fu.; Shengming Ma.; Jing Li.","Efficient Two-step Synthesis of 3-Halo-3-enals or 2-Halo-2-alkenyl Ketones from Propargylic Bromides via a unique cationc 1,2-Aryl or Proton Shift in Electrophilic Addition Reaction of 2,3-Allenols with X+","Chemical Communications","2005","","","","","10.1039/b508069j","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100220","32.9114","0.0013","32.9114","0.0013","9.4246","0.0005","90","","90","","120","","8840.7","0.7","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42.34 H27.36 N6 O0.34 Zn -","- C42.34 H26 N6 O0.34 Zn -","- C381.06 H234 N54 O3.06 Zn9 -","9","0.5","","Emmanuel Deiters; Veronique Bulach; Mir Wais Hosseini","Reversible single-crystal-to-single-crystal guest exchange in a 2-D coordination network based on a zinc porphyrin","Chemical Communications","2005","","","","","10.1039/b508135c","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100221","33.0866","0.0004","33.0866","0.0004","9.436","0.0002","90","","90","","120","","8945.9","0.2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42.68 H28.04 N6 O0.34 Zn -","- C42.68 H26 N6 O0.34 Zn -","- C384.12 H234 N54 O3.06 Zn9 -","9","0.5","","Emmanuel Deiters; Veronique Bulach; Mir Wais Hosseini","Reversible single-crystal-to-single-crystal guest exchange in a 2-D coordination network based on a zinc porphyrin","Chemical Communications","2005","","","","","10.1039/b508135c","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100222","33.0734","0.0005","33.0734","0.0005","9.2921","0.0004","90","","90","","120","","8802.4","0.4","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H26 N6 Zn -","- C42 H26 N6 Zn -","- C378 H234 N54 Zn9 -","9","0.5","","Emmanuel Deiters; Veronique Bulach; Mir Wais Hosseini","Reversible single-crystal-to-single-crystal guest exchange in a 2-D coordination network based on a zinc porphyrin","Chemical Communications","2005","","","","","10.1039/b508135c","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100223","33.0583","0.0007","33.0583","0.0007","9.3302","0.0005","90","","90","","120","","8830.4","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44 H30 N6 Zn -","- C44 H26 N6 Zn -","- C396 H234 N54 Zn9 -","9","0.5","","Emmanuel Deiters; Veronique Bulach; Mir Wais Hosseini","Reversible single-crystal-to-single-crystal guest exchange in a 2-D coordination network based on a zinc porphyrin","Chemical Communications","2005","","","","","10.1039/b508135c","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100224","11.4324","0.0009","13.9381","0.0011","17.358","0.0014","92.236","0.001","101.447","0.001","92.208","0.001","2705.8","0.4","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H33 Fe N12 O7 -","- C19 H33 Fe N12 O7 -","- C76 H132 Fe4 N48 O28 -","4","2","","Artem Melman; Irina Ekeltchik; Jenny Gun; Ovadia Lev","Bis-hydroxyaminotriazines: highly stable hydroxylamine-based ligands for iron(III) cations","Chemical Communications","2005","","","","","10.1039/b508138f","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100225","7.9003","0.0002","14.1271","0.0003","17.2611","0.0005","90","","90","","90","","1926.48","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O2 S -","- C23 H23 N O2 S -","- C92 H92 N4 O8 S4 -","4","1","","Juan Carlos Carretero; Pablo Mauleon","Enantioselective construction of stereogenic quaternary centres via Rh-catalyzed?asymmetric addition of alkenyl boronic acids to a,b-unsaturated pyridylsulfones","Chemical Communications","2005","","","","","10.1039/b508142d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100226","9.577","0.003","19.02","0.008","18.309","0.005","90","","93.73","0.03","90","","3328","1.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H53 N5 O4 -","- C34 H53 N5 O4 -","- C136 H212 N20 O16 -","4","1","","Mark E. Light; Simon J. Brooks; Philip Gale","Carboxylate complexation by 1,1'-(1,2-phenylene)bis(3-phenylurea) in solution and the solid state","Chemical Communications","2005","","","","","10.1039/b508144k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100227","8.478","0.002","38.654","0.01","24.402","0.007","90","","93.68","0.03","90","","7980","4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H58 N5 O4 -","- C43 H58 N5 O4 -","- C344 H464 N40 O32 -","8","2","","Mark E. Light; Simon J. Brooks; Philip Gale","Carboxylate complexation by 1,1'-(1,2-phenylene)bis(3-phenylurea) in solution and the solid state","Chemical Communications","2005","","","","","10.1039/b508144k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100228","8.573","0.005","9.925","0.006","14.892","0.009","90","","90","","90","","1267.1","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 B2 Li N2 -","- C10 H23 B2 Li N2 -","- C40 H92 B8 Li4 N8 -","4","1","","Roland Roesler; Taryn D. Forster; Hanh V. Ly; Darren Maley; Masood Parvez","-n3:n4-Lithiocene and n3:n3-Zincocene Incorporating 1,2-Diaza-3,5-diborolyl, a Cyclopentadienyl Analog","Chemical Communications","2005","","","","","10.1039/b508152a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100229","10.091","0.004","14.803","0.004","15.697","0.005","114.889","0.018","97.115","0.019","101.325","0.019","2028.6","1.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H138 B12 N12 Zn3 -","- C60 H138 B12 N12 Zn3 -","- C60 H138 B12 N12 Zn3 -","1","0.5","","Roland Roesler; Taryn D. Forster; Hanh V. Ly; Darren Maley; Masood Parvez","-n3:n4-Lithiocene and n3:n3-Zincocene Incorporating 1,2-Diaza-3,5-diborolyl, a Cyclopentadienyl Analog","Chemical Communications","2005","","","","","10.1039/b508152a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100230","12.7386","0.0006","16.3024","0.0008","31.923","0.002","90","","90","","90","","6629.4","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 I2 N2 Pd -","- C13 H20 I2 N2 Pd -","- C208 H320 I32 N32 Pd16 -","16","4","","Martin Albrecht; Helen Stoeckli-Evans","Catalytically active palladium pyridylidene complexes: Pyridinium ionic liquids as N-heterocyclic carbene precursors","Chemical Communications","2005","","","","","10.1039/b508225k","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100231","8.275","0.0002","16.5911","0.0004","20.2044","0.0006","101.125","0.0008","94.1342","0.0008","101.128","0.0015","2653.31","0.12","","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H8 F36 N8 S8 -","- C40 H8 F36 N8 S8 -","- C80 H16 F72 N16 S16 -","2","1","","J. Rawson; Antonio Alberola; Caroline S. Clarke; Delia A. Haynes; Sofia I. Pascu","Crystal structures and magnetic properties of a sterically encumbered dithiadiazolyl radical, 2,4,6-(F3C)3C6H2CNSSN","Chemical Communications","2005","","","","","10.1039/b508371k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100232","17.6507","0.0006","7.9712","0.0003","19.0992","0.0006","90","","90","","90","","2687.21","0.16","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H2 F9 N2 S2 -","- C10 H2 F9 N2 S2 -","- C80 H16 F72 N16 S16 -","8","2","","J. Rawson; Antonio Alberola; Caroline S. Clarke; Delia A. Haynes; Sofia I. Pascu","Crystal structures and magnetic properties of a sterically encumbered dithiadiazolyl radical, 2,4,6-(F3C)3C6H2CNSSN","Chemical Communications","2005","","","","","10.1039/b508371k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100233","13.8173","0.0011","14.292","0.0011","26.318","0.002","92.816","0.002","96.781","0.002","118.451","0.001","4504.3","0.6","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H106 K8 Na10 O180 P4 W32 Zr4 -","- C8 H6 K5 Na7 O169.5 P4 W32 Zr4 -","- C8 H6 K5 Na7 O169.5 P4 W32 Zr4 -","1","1","","X.Fang; T.M.Anderson; Y.Hou; C.L.Hill","Stereoisomerism in polyoxometalates: structural and spectroscopic studies of bis(malate)-functionalized cluster systems","Chemical Communications","2005","","","","","10.1039/b508468g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100234","13.8263","0.0009","14.3085","0.001","26.3344","0.0018","92.871","0.001","96.639","0.001","118.518","0.001","4513.8","0.5","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H114 K8 Na10 O184 P4 W32 Zr4 -","- C8 H6 K7 Na6 O182.5 P4 W32 Zr4 -","- C8 H6 K7 Na6 O182.5 P4 W32 Zr4 -","1","1","","X.Fang; T.M.Anderson; Y.Hou; C.L.Hill","Stereoisomerism in polyoxometalates: structural and spectroscopic studies of bis(malate)-functionalized cluster systems","Chemical Communications","2005","","","","","10.1039/b508468g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100235","14.606","0.003","25.837","0.005","26.907","0.005","90","","105.75","0.03","90","","9773","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H80 N2 S15 Zn8 -","- C96 H80 N2 S15 Zn8 -","- C384 H320 N8 S60 Zn32 -","4","1","","Pingyun Feng; Xianhui Bu; Jingli Xie; Nanfeng Zheng","One-dimensional Coordination Polymers Containing Penta-Supertetrahedral Sulfide Clusters Linked by Dipyridyl Ligands","Chemical Communications","2005","","","","","10.1039/b508470a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100236","19.0847","0.0015","18.4854","0.0014","27.494","0.002","90","","94.347","0.002","90","","9671.8","1.3","238","2","238","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C97 H84 Co N2 S15 Zn7 -","- C97 H84 Co N2 S15 Zn7 -","- C388 H336 Co4 N8 S60 Zn28 -","4","1","","Pingyun Feng; Xianhui Bu; Jingli Xie; Nanfeng Zheng","One-dimensional Coordination Polymers Containing Penta-Supertetrahedral Sulfide Clusters Linked by Dipyridyl Ligands","Chemical Communications","2005","","","","","10.1039/b508470a","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100237","13.457","0.005","17.681","0.005","40.836","0.005","90","","92.864","0.005","90","","9704","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C97 H84 N2 S15 Zn8 -","- C97 H84 N2 S15 Zn8 -","- C388 H336 N8 S60 Zn32 -","4","1","","Pingyun Feng; Xianhui Bu; Jingli Xie; Nanfeng Zheng","One-dimensional Coordination Polymers Containing Penta-Supertetrahedral Sulfide Clusters Linked by Dipyridyl Ligands","Chemical Communications","2005","","","","","10.1039/b508470a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100238","10.7833","0.0007","10.904","0.0007","14.0624","0.0009","90","","90","","90","","1653.47","0.18","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C10 H9 Ag B F4 N6 O2.5 -","- C10 H6 Ag B F4 N6 O2.5 -","- C40 H24 Ag4 B4 F16 N24 O10 -","4","0.5","","Miao Du.; S. Batten; Jian-Hua Guo.; Xiao-Jun Zhao.","Direction of topological isomers of silver(I) coordination polymers induced by solvent, and selective anion-exchange of a class of PtS-type host frameworks","Chemical Communications","2005","","","","","10.1039/b508479b","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100239","13.856","0.007","10.659","0.006","11.177","0.006","90","","90","","90","","1650.7","1.5","293","2","293","2","","","","","","","","7","I m m 2","I 2 -2","44","","","","- C10.5 H7.25 Ag B0.5 F2 N6.25 O1.5 -","- C10.5 H6.75 Ag B0.5 F2 N6.25 O1.5 -","- C42 H27 Ag4 B2 F8 N25 O6 -","4","0.5","","Miao Du.; S. Batten; Jian-Hua Guo.; Xiao-Jun Zhao.","Direction of topological isomers of silver(I) coordination polymers induced by solvent, and selective anion-exchange of a class of PtS-type host frameworks","Chemical Communications","2005","","","","","10.1039/b508479b","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100240","10.7675","0.0017","10.7675","0.0017","13.994","0.005","90","","90","","90","","1622.5","0.6","293","2","293","2","","","","","","","","7","P 42/m n m","-P 4n 2n","136","","","","- C10 H6 Ag As F6 N6 O -","- C10 H6 Ag As F6 N6 O -","- C40 H24 Ag4 As4 F24 N24 O4 -","4","0.25","","Miao Du.; S. Batten; Jian-Hua Guo.; Xiao-Jun Zhao.","Direction of topological isomers of silver(I) coordination polymers induced by solvent, and selective anion-exchange of a class of PtS-type host frameworks","Chemical Communications","2005","","","","","10.1039/b508479b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100241","10.7845","0.0019","10.7845","0.0019","14.119","0.005","90","","90","","90","","1642.1","0.7","293","2","293","2","","","","","","","","7","P 42/m n m","-P 4n 2n","136","","","","- C11 H6 Ag F3 N6 O4 S -","- C10 H6 Ag N6 O -","- C40 H24 Ag4 N24 O4 -","4","0.25","","Miao Du.; S. Batten; Jian-Hua Guo.; Xiao-Jun Zhao.","Direction of topological isomers of silver(I) coordination polymers induced by solvent, and selective anion-exchange of a class of PtS-type host frameworks","Chemical Communications","2005","","","","","10.1039/b508479b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100242","10.8706","0.0019","10.8706","0.0019","13.959","0.005","90","","90","","90","","1649.5","0.7","293","2","293","2","","","","","","","","7","P 42/m n m","-P 4n 2n","136","","","","- C10 H6 Ag F6 N6 O Sb -","- C10 H6 Ag F6 N6 O Sb -","- C40 H24 Ag4 F24 N24 O4 Sb4 -","4","0.25","","Miao Du.; S. Batten; Jian-Hua Guo.; Xiao-Jun Zhao.","Direction of topological isomers of silver(I) coordination polymers induced by solvent, and selective anion-exchange of a class of PtS-type host frameworks","Chemical Communications","2005","","","","","10.1039/b508479b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100243","7.6093","0.0002","12.2244","0.0003","14.2977","0.0004","90","","93.281","0.001","90","","1327.78","0.06","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Jonathan Burton; David G. Hulcoop","Synthesis of fused tricyclic g-lactones mediated by manganese(III) acetate.","Chemical Communications","2005","","","","","10.1039/b508529b","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100244","31.9711","0.0013","10.4764","0.0004","15.9719","0.0007","90","","91.655","0.001","90","","5347.4","0.4","150","","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 F7 Ir N6 -","- C30 H16 F7 Ir N6 -","- C240 H128 F56 Ir8 N48 -","8","1","","Andy Holmes; Richard M. W. Friend; Anna Hayer; K. Anna; Chris S.K. Mak; Sofia I. Pascu; S.E. Watkins","Blue-to-green electrophosphorescence of iridium-based cyclometallated materials","Chemical Communications","2005","","","","","10.1039/b508695g","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100245","10.2543","0.0001","21.6017","0.0003","17.3654","0.0003","90","","101.434","0.0006","90","","3770.27","0.09","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 Br2 Cl6 F7 Ir N6 -","- C32 H16 Br2 Cl6 F7 Ir N6 -","- C128 H64 Br8 Cl24 F28 Ir4 N24 -","4","1","","Andy Holmes; Richard M. W. Friend; Anna Hayer; K. Anna; Chris S.K. Mak; Sofia I. Pascu; S.E. Watkins","Blue-to-green electrophosphorescence of iridium-based cyclometallated materials","Chemical Communications","2005","","","","","10.1039/b508695g","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100246","11.295","0.003","13.536","0.003","15.667","0.004","81.769","0.005","70.825","0.005","71.182","0.005","2139.7","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 Au2 O P2 S2 -","- C50 H42 Au2 O P2 S2 -","- C100 H84 Au4 O2 P4 S4 -","2","1","","M. Lagunas; H.de la Riva; Christopher Hardacre; Mark Nieuwenhuyzen; A. Pintado-Alba","First EXAFS studies on aurophilic interactions in solution","Chemical Communications","2005","","","","","10.1039/b508863a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100247","17.074","0.002","17.074","0.002","14.606","0.003","90","","90","","90","","4257.8","1.2","293","2","293","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C50 H52 Cl N10 Ni2 O44 V16 -","- C50 H32 Cl N10 Ni2 O44 V16 -","- C100 H64 Cl2 N20 Ni4 O88 V32 -","2","0.25","","Liu, Shuxia; Xie, Linhua; Gao, Bo; Zhang, Chundan; Sun, Chunyan; Li, Dehui; Su, Zhongmin","An organic‒inorganic hybrid material constructed from a three-dimensional coordination complex cationic framework and entrapped hexadecavanadate clusters","Chemical Communications (Cambridge, United Kingdom)","2005","","40","5023","5025","10.1039/b508930a","","","","","","","","","","","","","","","","","","","","","has coordinates","210752","2020-10-21","18:00:00",""
"7100248","17.074","0.002","17.074","0.002","14.606","0.003","90","","90","","90","","4257.8","1.2","293","2","293","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C50 H52 Cl N10 Ni2 O44 V16 -","- C40 H32 Cl N8 Ni2 O38 V16 -","- C80 H64 Cl2 N16 Ni4 O76 V32 -","2","0.25","","Liu, Shuxia; Xie, Linhua; Gao, Bo; Zhang, Chundan; Sun, Chunyan; Li, Dehui; Su, Zhongmin","An organic‒inorganic hybrid material constructed from a three-dimensional coordination complex cationic framework and entrapped hexadecavanadate clusters","Chemical Communications (Cambridge, United Kingdom)","2005","","40","5023","5025","10.1039/b508930a","","","","","","","","","","","","","","","","","","","","","has coordinates","210752","2020-10-21","18:00:00",""
"7100249","15.6488","0.0008","15.6488","0.0006","33.8402","0.0007","90","","90","","120","","7176.7","0.5","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C37 H36 Cl9 O15 -","- C37 H36 Cl9 O15 -","- C222 H216 Cl54 O90 -","6","0.333333","","J. Veciana; Neus Domingo; Daniel Maspoch; Nans Roques; Concepcio Rovira; Daniel Ruiz-Molina; Javier Tejada; Klaus Wurst","Hydrogen-bonded self-assemblies in a polychlorotriphenylmethyl radical derivative substituted with six meta-carboxylic acid groups","Chemical Communications","2005","","","","","10.1039/b508952b","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100250","24.9133","0.0006","24.9133","0.0008","15.0874","0.0008","90","","90","","120","","8109.7","0.5","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C49 H54 Cl9 O18 -","- C49 H6 Cl9 O18 -","- C294 H36 Cl54 O108 -","6","0.333333","","J. Veciana; Neus Domingo; Daniel Maspoch; Nans Roques; Concepcio Rovira; Daniel Ruiz-Molina; Javier Tejada; Klaus Wurst","Hydrogen-bonded self-assemblies in a polychlorotriphenylmethyl radical derivative substituted with six meta-carboxylic acid groups","Chemical Communications","2005","","","","","10.1039/b508952b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100251","8.048","0.002","15.296","0.003","7.872","0.003","104.54","0.02","93.23","0.03","80.363","0.018","924.7","0.4","293","2","293","1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H29 N3 O4 -","- C17 H29 N3 O4 -","- C34 H58 N6 O8 -","2","1","","R. Stockman; David L. Hughes; Martin Rejzek; van Maarseveen, Jan H.","Combining Two-Directional Synthesis and Tandem Reactions: Unexpected Desymmetrisation by Triazole Fragmentation","Chemical Communications","2005","","","","","10.1039/b508969g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100252","9.175","0.001","15.316","0.001","11.456","0.001","90","","102.26","0.001","90","","1573.1","0.2","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Br O4 -","- C18 H21 Br O4 -","- C72 H84 Br4 O16 -","4","1","","J.A. Funel; L. Ricard; J. Prunet","Reversal of Facial Selectivity in Complex Diels-Alder Reaction.","Chemical Communications","2005","","","","","10.1039/b509041e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100253","11.294","0.001","16.419","0.001","17.523","0.001","101.68","0.001","102.9","0.001","89.8","0.001","3098.8","0.4","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 N O4 Si2 -","- C29 H45 N O4 Si2 -","- C116 H180 N4 O16 Si8 -","4","2","","","","Chemical Communications","2005","","","","","10.1039/b509041e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100254","8.2299","0.0006","9.3483","0.0007","17.8999","0.0014","90","","90","","90","","1377.14","0.18","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(Co(C5N6H3)2)","","","- C10 H6 Co N12 -","- C10 H6 Co N12 -","- C40 H24 Co4 N48 -","4","0.5","","E. Colacio; Raikko Kivekas; Antonio Rodriguez","Unique Self-Assembled 2D Metal-Tetrazolate networks: Crystal Structure and Magnetic Properties of [M(pmtz)2] (M=Co(II) and Fe(II); Hpmzt=5 (pyrimidyl)tetrazole)","Chemical Communications","2005","","","","","10.1039/b509069e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100255","8.0193","0.0005","8.7837","0.0005","18.0385","0.0011","90","","90","","90","","1270.62","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Fe(C5N6H3)2]","","","- C10 H6 Fe N12 -","- C10 H6 Fe N12 -","- C40 H24 Fe4 N48 -","4","0.5","","E. Colacio; Raikko Kivekas; Antonio Rodriguez","Unique Self-Assembled 2D Metal-Tetrazolate networks: Crystal Structure and Magnetic Properties of [M(pmtz)2] (M=Co(II) and Fe(II); Hpmzt=5 (pyrimidyl)tetrazole)","Chemical Communications","2005","","","","","10.1039/b509069e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100256","11.893","0.003","15.257","0.004","16.966","0.004","83.414","0.006","75.378","0.006","68.398","0.005","2768.9","1.2","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C26.75 H19.5 Cl1.5 Cu F6 N2 P S2 -","- C26.75 H19.5 Cl1.5 Cu F6 N2 P S2 -","- C107 H78 Cl6 Cu4 F24 N8 P4 S8 -","4","2","","J. Zaleski","A geometric switching approach toward thermal activation of metalloenediynes","Chemical Communications","2005","","","","","10.1039/b509125j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100257","13.2183","0.0014","11.6622","0.0013","18.79","0.002","90","","93.675","0.003","90","","2890.5","0.5","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 B2 F8 N3 Pd S2 -","- C28 H21 B2 F8 N3 Pd S2 -","- C112 H84 B8 F32 N12 Pd4 S8 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b509125j","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100258","7.9642","0.0005","9.4857","0.0006","17.9043","0.0011","85.756","0.002","88.366","0.002","71.68","0.001","1280.5","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 B2 F8 N2 Pd S2 -","- C26 H20 B2 F8 N2 Pd S2 -","- C52 H40 B4 F16 N4 Pd2 S4 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b509125j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100259","7.8181","0.0006","11.2558","0.0009","11.7943","0.0009","86.3","0.002","81.141","0.002","88.62","0.002","1023.26","0.14","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 S2 -","- C26 H18 N2 S2 -","- C52 H36 N4 S4 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b509125j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100260","10.683","0.002","16.387","0.003","10.065","0.002","90","","90.98","0.03","90","","1761.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O S6 -","- C14 H12 N2 O S6 -","- C56 H48 N8 O4 S24 -","4","1","","Wei Xu.; Haiyan Lu.; Daoben Zhu.","Highly effective phosphate electrochemical sensor based on tetrathiafulvalene","Chemical Communications","2005","","","","","10.1039/b509133k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100261","32.3394","0.0005","22.8698","0.0004","22.8658","0.0006","90","","134.986","0.001","90","","11961.1","0.4","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C239 H262 B8 Cl22 F32 N36 O0 Zn4 -","- C239 H262 B8 Cl22 F32 N36 Zn4 -","- C478 H524 B16 Cl44 F64 N72 Zn8 -","2","0.5","","Mike Ward; Stephen P. Argent; J. Jeffery; T. Riis-Johannessen","Diastereoselective formation and optical activity of an M4L6 cage complex","Chemical Communications","2005","","","","","10.1039/b509239f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100262","9.556","0.003","9.578","0.003","11.187","0.004","88.22","0.03","110.16","0.03","109.98","0.03","899","0.5","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H22 B F4 N S2 -","- C17 H22 B F4 N S2 -","- C34 H44 B2 F8 N2 S4 -","2","1","","Masahito Ochiai; Norihiro Tada","","Chemical Communications","2005","","","","","10.1039/b509269h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100263","12.0924","0.0004","11.3065","0.0005","21.7705","0.0008","90","","102.275","0.002","90","","2908.47","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H94 N4 Na2 O6 Si2 -","- C50 H94 N4 Na2 O6 Si2 -","- C100 H188 N8 Na4 O12 Si4 -","2","0.5","","Barbara Gehrhus; Floria Antolini; P. B. Hitchcock; M. Lappert","Crystalline Na-Si(NN) derivatives [Si(NN) = Si{(NCH2tBu)2C6H4-1,2}]: the silylenoid [Si(NN)OMe]-, the dianion [(NN)Si-Si(NN)]2-, and the radical anion c-[Si(NN)]3-.","Chemical Communications","2005","","","","","10.1039/b509310d","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100264","15.0206","0.0017","15.0206","0.0017","16.869","0.0016","90","","90","","120","","3296.1","0.6","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C64 H110 N6 Na O4 Si3 -","- C63.96 H78 N6 Na O4 Si3 -","- C127.92 H156 N12 Na2 O8 Si6 -","2","0.166667","","","","Chemical Communications","2005","","","","","10.1039/b509310d","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100265","14.5047","0.0004","12.1298","0.0004","16.0628","0.0004","90","","99.723","0.002","90","","2785.48","0.14","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","((Na(thf)2(Si(NCH2tBu)2C6H4))2)","","","- C48 H84 N4 Na2 O4 Si2 -","- C48 H84 N4 Na2 O4 Si2 -","- C96 H168 N8 Na4 O8 Si4 -","2","0.5","","","","Chemical Communications","2005","","","","","10.1039/b509310d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100266","17.739","0.0007","5.989","0.0002","25.116","0.001","90","","120.677","0.0016","90","","2294.88","0.15","130","2","130","2","","","","","","","","4","P 1 c 1","P -2yc","7","BDBPQ","","","- C58 H42 Cl6 N2 -","- C58 H42 Cl6 N2 -","- C116 H84 Cl12 N4 -","2","1","","Samson Jenekhe; Amit Babel; Jessica M. Hancock; Christopher J. Tonzola","Quinoidal Oligoquinoline: A Novel Quinodimethane Exhibiting High Electroluminescence Efficiency and p-Channel Field Effect Charge Transport","Chemical Communications","2005","","","","","10.1039/b509322h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100267","4.3135","0.0004","11.327","0.001","12.558","0.001","90","","90","","90","","613.57","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 Br O2 -","- C5 H7 Br O2 -","- C20 H28 Br4 O8 -","4","1","","Karl Anker Jorgensen; Stephan Bachmann; Soren Bertelsen; Alan Braunton; Nis Halland; Mauro Marigo","Organocatalytic Asymmetric a-Bromination of Aldehydes and Ketones","Chemical Communications","2005","","","","","10.1039/b509366j","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100268","16.376","0.003","8.9041","0.0014","19.122","0.003","90","","96.817","0.003","90","","2768.6","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4,6-trichloro-1,3,5-tris-(2,6-dimethlyanaline)-2,4,6- tristiba(1,3,5)triazane","","","- C24 H27 Cl3 N3 Sb3 -","- C24 H27 Cl3 N3 Sb3 -","- C96 H108 Cl12 N12 Sb12 -","4","1","","Neil Burford; Ezra Edelstein; Michael J. Ferguson; Jeff C. Landry; Robert McDonald","Identification of new N-Sb topologies: Understanding the sequential dehydrochloride coupling of primary amines and trichloropnictines","Chemical Communications","2005","","40","5074","5076","10.1039/b509481j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100269","9.9556","0.0007","10.4211","0.0007","16.9114","0.0012","85.8918","0.001","84.9494","0.001","73.7057","0.0009","1675.5","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","2,6-dimethylanaline - trichlorostibine coordination","","","- C24.5 H34 Cl7 N3 Sb2 -","- C24.5 H34 Cl7 N3 Sb2 -","- C49 H68 Cl14 N6 Sb4 -","2","1","","Neil Burford; Ezra Edelstein; Michael J. Ferguson; Jeff C. Landry; Robert McDonald","Identification of new N-Sb topologies: Understanding the sequential dehydrochloride coupling of primary amines and trichloropnictines","Chemical Communications","2005","","40","5074","5076","10.1039/b509481j","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100270","13.0005","0.0009","20.8528","0.0014","15.5863","0.001","90","","108.958","0.001","90","","3996.2","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cl2SbN(Dmp)Sb(Cl)N(H)Dmp","","","- C16 H19 Cl3 N2 Sb2 -","- C16 H19 Cl3 N2 Sb2 -","- C128 H152 Cl24 N16 Sb16 -","8","2","","Neil Burford; Ezra Edelstein; Michael J. Ferguson; Jeff C. Landry; Robert McDonald","Identification of new N-Sb topologies: Understanding the sequential dehydrochloride coupling of primary amines and trichloropnictines","Chemical Communications","2005","","40","5074","5076","10.1039/b509481j","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100271","13.3771","0.0004","28.564","0.0009","15.3254","0.0005","90","","90","","90","","5855.9","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C62 H61 B2 F10 N3 O4 -","- C62 H61 B2 F10 N3 O4 -","- C248 H244 B8 F40 N12 O16 -","4","1","","Carl Redshaw; Mark R.J. Elsegood","Synthesis of bis(bora)calix[4]arenes bearing perfluoroaryl substituents","Chemical Communications","2005","","","","","10.1039/b509556e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100272","16.4659","0.0012","16.7508","0.0012","18.1131","0.0013","90","","115.137","0.002","90","","4522.8","0.6","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H58 B2 Cl2 N2 O4 -","- C48 H52 B2 Cl2 N2 O4 -","- C192 H208 B8 Cl8 N8 O16 -","4","0.5","","Carl Redshaw; Mark R.J. Elsegood","Synthesis of bis(bora)calix[4]arenes bearing perfluoroaryl substituents","Chemical Communications","2005","","","","","10.1039/b509556e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100273","13.5632","0.0012","14.6088","0.0013","16.3167","0.0014","112.636","0.002","90.622","0.002","111.418","0.002","2734.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 B2 F10 O4 -","- C60 H62 B2 F10 O4 -","- C120 H124 B4 F20 O8 -","2","1","","Carl Redshaw; Mark R.J. Elsegood","Synthesis of bis(bora)calix[4]arenes bearing perfluoroaryl substituents","Chemical Communications","2005","","","","","10.1039/b509556e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100274","23.8326","0.001","15.2792","0.0006","19.0184","0.0008","90","","107.495","0.002","90","","6605.1","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H65 B2 F18 N3 O4 -","- C68 H62 B2 F18 N3 O4 -","- C272 H248 B8 F72 N12 O16 -","4","0.5","","Carl Redshaw; Mark R.J. Elsegood","Synthesis of bis(bora)calix[4]arenes bearing perfluoroaryl substituents","Chemical Communications","2005","","","","","10.1039/b509556e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100275","14.557","0.003","23.299","0.003","26.168","0.003","90","","98.921","0.011","90","","8768","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H82 F6 N4 O9 P4 Pd2 S4 -","- C78 H82 F6 N4 O9 P4 Pd2 S4 -","- C312 H328 F24 N16 O36 P16 Pd8 S16 -","4","1","","R. Vilar-Compte; J.A.T.-C. Romero; A.J.P. White","A di-palladium urea complex as molecular receptor for anions","Chemical Communications","2005","","","","","10.1039/b509565d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100276","13.819","0.004","15.492","0.003","23.828","0.004","103.025","0.009","96.742","0.018","99.811","0.018","4832.6","1.9","183","2","183","2","","","","","","","","10","P -1","-P 1","2","","","","- C79 H84 Cl8 F9 N4 Na O12 P4 Pd2 S5 -","- C79 H82 Cl8 F9 N4 Na O12 P4 Pd2 S5 -","- C158 H164 Cl16 F18 N8 Na2 O24 P8 Pd4 S10 -","2","1","","R. Vilar-Compte; J.A.T.-C. Romero; A.J.P. White","A di-palladium urea complex as molecular receptor for anions","Chemical Communications","2005","","","","","10.1039/b509565d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100277","9.5673","0.0005","11.3995","0.0007","28.6673","0.0016","90","","90","","90","","3126.5","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 B Cu F4 N3 O6 -","- C27 H44 B Cu F4 N3 O6 -","- C108 H176 B4 Cu4 F16 N12 O24 -","4","1","","Lutz Gade; Stephane Bellemin-Laponnaz; Carole Foltz; Guido Marconi; Bjorn Stecker; Hubert Wadepohl","Exploiting C3-Symmetry in the Dynamic Coordination of a Chiral Trisoxazoline to Copper(II): Improved Enantioselectivity, and Catalyst Stability in Asymmetric Lewis Acid Catalysis","Chemical Communications","2005","","","","","10.1039/b509571a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100278","9.5398","0.0008","11.5517","0.0009","28.674","0.002","90","","90","","90","","3159.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 Cl Cu N3 O10 -","- C27 H44 Cl Cu N3 O10 -","- C108 H176 Cl4 Cu4 N12 O40 -","4","1","","Lutz Gade; Stephane Bellemin-Laponnaz; Carole Foltz; Guido Marconi; Bjorn Stecker; Hubert Wadepohl","Exploiting C3-Symmetry in the Dynamic Coordination of a Chiral Trisoxazoline to Copper(II): Improved Enantioselectivity, and Catalyst Stability in Asymmetric Lewis Acid Catalysis","Chemical Communications","2005","","","","","10.1039/b509571a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100279","8.5297","0.0007","8.9152","0.0008","9.5123","0.0009","88.853","0.005","82.971","0.007","64.67","0.006","648.47","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 Mg2 N4 -","- C24 H40 Mg2 N4 -","- C24 H40 Mg2 N4 -","1","0.5","","Janusz Lewinski; Maciej Dranka; Izabela Kraszewska; Witold Sliwinski; Iwona Justyniak","Divergent Coordination Mode of Magnesium and Zinc Akyls Supported by Pyrrolylaldiminate ligand.","Chemical Communications","2005","","","","","10.1039/b509669c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100280","12.8805","0.0007","8.8359","0.0005","11.8961","0.0006","90","","107.715","0.003","90","","1289.71","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 Zn -","- C12 H20 N2 Zn -","- C48 H80 N8 Zn4 -","4","1","","Janusz Lewinski; Maciej Dranka; Izabela Kraszewska; Witold Sliwinski; Iwona Justyniak","Divergent Coordination Mode of Magnesium and Zinc Akyls Supported by Pyrrolylaldiminate ligand.","Chemical Communications","2005","","","","","10.1039/b509669c","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100281","11.3336","0.0015","17.332","0.003","17.721","0.003","110.91","0.006","99.277","0.001","107.205","0.003","2964.3","0.8","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H120 N8 O32 S6 Zn3 -","- C124 H120 N8 O32 S6 Zn3 -","- C124 H120 N8 O32 S6 Zn3 -","1","0.5","","Xintao Wu; Ruibiao Fu; Shengmin Hu; Xihe Huang; Yaming Li; Longsheng Wang; Sheng-Chang Xiang","Assembled a novel bright green fluorescent zinc coordination polymer","Chemical Communications","2005","","","","","10.1039/b509695b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100282","20.351","0.004","8.802","0.0018","8.839","0.0018","90","","100.07","0.03","90","","1558.9","0.6","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H48 O10 -","- C28 H48 O10 -","- C56 H96 O20 -","2","0.5","","C. Willis; Conor Barry; Nick Bushby; Jonathan P. H. Charmant; Jon D. Elsworth; John R. Harding","Total synthesis of a diastereomer of the marine natural product clavosolide A","Chemical Communications","2005","","","","","10.1039/b509757f","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100283","11.783","0.003","12.317","0.002","18.638","0.004","73.548","0.008","87.246","0.01","72.204","0.008","2467.8","0.9","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 Ge Si10 -","- C32 H80 Ge Si10 -","- C64 H160 Ge2 Si20 -","2","1","","Mitsuo Kira; Takashi Abe; Takeaki Iwamoto; Chizuko Kabuto","A Missing Group-14 Element Trimetallaallene. 2-Germadisilaallene","Chemical Communications","2005","","","","","10.1039/b509878e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100284","11.709","0.003","12.239","0.002","18.548","0.004","73.464","0.007","87.139","0.008","71.999","0.007","2421.2","0.9","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 Ge Si10 -","- C32 H80 Ge Si10 -","- C64 H160 Ge2 Si20 -","2","1","","Mitsuo Kira; Takashi Abe; Takeaki Iwamoto; Chizuko Kabuto","A Missing Group-14 Element Trimetallaallene. 2-Germadisilaallene","Chemical Communications","2005","","","","","10.1039/b509878e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100285","11.7571","0.0002","12.2792","0.0001","18.574","0.0005","73.558","0.005","87.309","0.007","72.299","0.005","2447.83","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 Ge Si10 -","- C32 H80 Ge0.9999 Si10 -","- C64 H160 Ge1.9998 Si20 -","2","1","","Mitsuo Kira; Takashi Abe; Takeaki Iwamoto; Chizuko Kabuto","A Missing Group-14 Element Trimetallaallene. 2-Germadisilaallene","Chemical Communications","2005","","","","","10.1039/b509878e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100286","11.777","0.003","12.315","0.003","18.633","0.005","73.588","0.008","87.26","0.009","72.249","0.008","2466.8","1","223.2","","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 Ge Si10 -","- C32 H80 Ge Si10 -","- C64 H160 Ge2 Si20 -","2","1","","Mitsuo Kira; Takashi Abe; Takeaki Iwamoto; Chizuko Kabuto","A Missing Group-14 Element Trimetallaallene. 2-Germadisilaallene","Chemical Communications","2005","","","","","10.1039/b509878e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100287","11.792","0.002","12.365","0.002","18.719","0.004","73.572","0.006","87.166","0.008","72.153","0.006","2489.9","0.8","273.2","","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 Ge Si10 -","- C32 H80 Ge Si10 -","- C64 H160 Ge2 Si20 -","2","1","","Mitsuo Kira; Takashi Abe; Takeaki Iwamoto; Chizuko Kabuto","A Missing Group-14 Element Trimetallaallene. 2-Germadisilaallene","Chemical Communications","2005","","","","","10.1039/b509878e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100288","11.683","0.003","12.214","0.003","18.607","0.004","73.588","0.007","87.156","0.008","71.628","0.007","2414.8","0.9","93","0.2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 Ge Si10 -","- C32 H80 Ge0.9999 Si10 -","- C64 H160 Ge1.9998 Si20 -","2","1","","Mitsuo Kira; Takashi Abe; Takeaki Iwamoto; Chizuko Kabuto","A Missing Group-14 Element Trimetallaallene. 2-Germadisilaallene","Chemical Communications","2005","","","","","10.1039/b509878e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100289","11.787","0.003","12.318","0.002","18.634","0.004","73.594","0.006","87.201","0.007","72.174","0.006","2468.9","0.9","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 Ge Si10 -","- C32 H80 Ge0.9999 Si10 -","- C64 H160 Ge1.9998 Si20 -","2","1","","Mitsuo Kira; Takashi Abe; Takeaki Iwamoto; Chizuko Kabuto","A Missing Group-14 Element Trimetallaallene. 2-Germadisilaallene","Chemical Communications","2005","","","","","10.1039/b509878e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100290","22.863","0.003","8.68","0.004","17.977","0.005","90","","119.275","0.015","90","","3111.8","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(1,3-bis(diisopropylphenyl)imidazole-2-ylidene)copper(ii) acetate","","","- C31 H42 Cu N2 O4 -","- C31 H42 Cu N2 O4 -","- C124 H168 Cu4 N8 O16 -","4","0.5","","Jaesook Yun.; Daesung Kim.; Hoseop Yun.","A new alternative to Stryker's reagent in hydrosilylation: synthesis, structure, and reactivity of a well-defined (carbene)copper(II) acetate complex","Chemical Communications","2005","","","","","10.1039/b509964a","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100291","12.6037","0.0013","13.0941","0.0013","13.6336","0.0013","75.97","0.002","71.209","0.002","63.453","0.002","1892.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H39 N4 O Zn -","- C51 H39 N4 O Zn -","- C102 H78 N8 O2 Zn2 -","2","1","","Qing-Yun Chen; Chao Liu; Dong-Mei Shen","A Novel and Facile Zn-mediated Intramolecular Five-membered Cyclization of beta-Tetraarylporphyrin Radicals from beta-Bromotetraarylporphyrins","Chemical Communications","2005","","","","","10.1039/b509972b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100292","11.84","0.0002","13.8058","0.0002","28.6689","0.0004","78.641","0.001","80.066","0.001","72.126","0.001","4341.04","0.11","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H128 N4 O10 -","- C94 H128 N4 O10 -","- C188 H256 N8 O20 -","2","1","","Francois Diederich; Vladimir A. Azov; Martina Cacciarini; Hermann Kunzer; Paul Seiler","Selective Steroid Recognition by a Partially Bridged Resorcin[4]arene Cavitand","Chemical Communications","2005","","","","","10.1039/b509990k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100293","7.5652","0.0018","6.306","0.0015","23.707","0.006","90","","97.4505","0.001","90","","1121.4","0.5","120","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F2 N O -","- C12 H13 F2 N O -","- C48 H52 F8 N4 O4 -","4","1","","Junji Ichikawa; Jun Mihara; Kotaro Sakoda","Heck-Type 5-endo-trig Cyclization Promoted by Vinylic Fluorines: Synthesis of 5-Fluoro-3H-Pyrroles","Chemical Communications","2005","","","","","10.1039/b510039a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100294","8.969","0.002","17.068","0.003","19.951","0.004","90","","90","","90","","3054.2","1.1","298","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H36 Cu2 N4 O4 -","- C32 H36 Cu2 N4 O4 -","- C128 H144 Cu8 N16 O16 -","4","0.5","","Guillem Aromi; Tamoghna Mitra; Juan Novoa; Alok Ranjan Paital; Debashis Ray; Joan Ribas; J.Ribas-Arino; Wing-tak Wong","Substituted m-Phenylene Bridges as Strong Ferrocouplers for CuII-bridge-CuII Magnetic Interactions: New Perspectives","Chemical Communications","2005","","","","","10.1039/b510074g","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100295","13.0047","0.0007","15.8034","0.0008","12.9509","0.0005","90","","103.229","0.003","90","","2591","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Ag2 B2 Cl4 F8 N10 O5 -","- C44 H46 Ag2 B2 Cl4 F8 N10 O5 -","- C88 H92 Ag4 B4 Cl8 F16 N20 O10 -","2","0.5","","R. Puddephatt; Michael C. Jennings; Nancy Yue","Ring-Opening Polymerisation of Coordination Compounds: A Silver(I) Network with Both Ring and Polymer Components","Chemical Communications","2005","","","","","10.1039/b510080a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100296","24.0395","0.0004","14.8168","0.0003","42.3734","0.0006","90","","97.121","0.001","90","","14976.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H98 Ag6 F18 N20 O31 S6 -","- C97 H98 Ag6 F18 N20 O31 S6 -","- C388 H392 Ag24 F72 N80 O124 S24 -","4","1","","R. Puddephatt; Michael C. Jennings; Nancy Yue","Ring-Opening Polymerisation of Coordination Compounds: A Silver(I) Network with Both Ring and Polymer Components","Chemical Communications","2005","","","","","10.1039/b510080a","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100297","10.8253","0.0006","14.5088","0.0008","24.9691","0.0013","90","","91.851","0.004","90","","3919.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H84 N30 Ni10 O24 -","- C43 H75 N30 Ni10 O24 -","- C86 H150 N60 Ni20 O48 -","2","0.5","","Euan Brechin; Guillem Aromi; E. McInnes; S. Parsons; Wolfgang Wernsdorfer","Synthesis, structure and magnetic properties of a decametallic Ni single-molecule magnet","Chemical Communications","2005","","","","","10.1039/b510097f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100298","20.551","0.002","21.853","0.002","25.909","0.003","90","","104.703","0.002","90","","11255","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H69 Cl20 Co8 N16 O27 P2 -","- C82 H69 Cl20 Co8 N16 O27 P2 -","- C328 H276 Cl80 Co32 N64 O108 P8 -","4","1","","R. Winpenny; Madeleine Helliwell; Stuart Langley; Patrick Rosa; Roberta Sessoli; W.Wernsdorfer","Slow Relaxation of Magnetisation in an Octanuclear Cobalt(II) Phosphonate Cage Complex","Chemical Communications","2005","","","","","10.1039/b510106a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100299","10.6973","0.0009","12.4144","0.001","13.29","0.0011","88.496","0.001","75.141","0.001","79.405","0.001","1676.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H47 F6 N2 Ni O1.5 P3 -","- C27 H47 F6 N2 Ni O1.5 P3 -","- C54 H94 F12 N4 Ni2 O3 P6 -","2","1","","V.M. Iluc; G.L. Hillhouse; A.J.M. Miller","Synthesis and Characterization of Side-Bound Aryldiazo and End-Bound Nitrosyl Complexes of Nickel","Chemical Communications","2005","","","","","10.1039/b510131j","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100300","17.385","0.016","35.42","0.03","18.986","0.017","90","","93.651","0.018","90","","11668","18","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C106 H109 B2 Cl F48 N2 Ni2 O2 P4 -","- C106 H109 B2 Cl F48 N2 Ni2 O2 P4 -","- C424 H436 B8 Cl4 F192 N8 Ni8 O8 P16 -","4","1","","V.M. Iluc; G.L. Hillhouse; A.J.M. Miller","Synthesis and Characterization of Side-Bound Aryldiazo and End-Bound Nitrosyl Complexes of Nickel","Chemical Communications","2005","","","","","10.1039/b510131j","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100301","18.788","0.004","8.9758","0.0019","18.881","0.004","90","","90.193","0.006","90","","3184","1.2","153.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H68 N4 O4 -","- C76 H68 N4 O4 -","- C152 H136 N8 O8 -","2","0.5","","R. Katoono; H. Kawai; K. Fujiwara; T. Suzuki","Stereospecific change in conformation upon complexation of an exoditopic tetraamide host with a bis(ammonium) guest: chiral recognition and strong CD signaling","Chemical Communications","2005","","","","","10.1039/b510134d","","","","","","","","","","","","","","","","","","","","","has coordinates","201206","2020-10-21","18:00:00",""
"7100302","33.738","0.007","8.9572","0.0017","27.599","0.006","90","","111.546","0.003","90","","7758","3","153.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H92 N4 O8 -","- C88 H82 N4 O8 -","- C352 H328 N16 O32 -","4","0.5","","","","Chemical Communications","2005","","","","","10.1039/b510134d","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100303","9.9608","0.0006","20.2706","0.0012","14.0988","0.0009","90","","103.575","0.001","90","","2767.2","0.3","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 F3 Ir N O3 P S -","- C26 H38 F3 Ir N O3 P S -","- C104 H152 F12 Ir4 N4 O12 P4 S4 -","4","1","","Mark Stradiotto; Judy Cipot; Robert McDonald","Cationic and Zwitterionic Bidentate Relatives of Crabtree's Hydrogenation Catalyst","Chemical Communications","2005","","","","","10.1039/b510253g","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100304","9.6714","0.0005","16.9783","0.0009","14.508","0.0007","90","","109.418","0.0007","90","","2246.8","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Ir N P -","- C25 H37 Ir N P -","- C100 H148 Ir4 N4 P4 -","4","1","","Mark Stradiotto; Judy Cipot; Robert McDonald","Cationic and Zwitterionic Bidentate Relatives of Crabtree's Hydrogenation Catalyst","Chemical Communications","2005","","","","","10.1039/b510253g","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100305","23.338","0.001","27.19","0.001","18.109","0.001","90","","128.174","0.001","90","","9033.7","0.7","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C94 H106 I2 O4 P4 S4 Sm2 -","- C94 H106 I2 O4 P4 S4 Sm2 -","- C376 H424 I8 O16 P16 S16 Sm8 -","4","0.5","","T.Cantat; F.Jaroschik; N.Mezailles; F.Nief; L.Ricard; P. Le Floch","New mono and bis-carbene samarium complexes: Synthesis, X-Ray structure and reactivity.","Chemical Communications","2005","","","","","10.1039/b510327d","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100306","14.969","0.003","15.159","0.002","16.2692","0.0016","77.918","0.01","88.901","0.012","61.756","0.011","3166.6","0.8","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H72 Li O4 P4 S4 Sm -","- C66 H72 Li O4 P4 S4 Sm -","- C132 H144 Li2 O8 P8 S8 Sm2 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b510327d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100307","8.765","0.001","18.796","0.001","19.302","0.001","90","","100.167","0.002","90","","3130","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 P2 S2 -","- C38 H30 P2 S2 -","- C152 H120 P8 S8 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b510327d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100308","20.114","0.001","11.621","0.001","29.967","0.001","90","","108.184","0.001","90","","6654.8","0.7","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H68 Li O3 P4 S4 Sm -","- C80 H68 Li O3 P4 S4 Sm -","- C320 H272 Li4 O12 P16 S16 Sm4 -","4","0.5","","","","Chemical Communications","2005","","","","","10.1039/b510327d","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100309","13.478","0.003","8.4926","0.0017","21.06","0.004","90","","94.42","0.03","90","","2403.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Ga2 N2 O2 P4 Te4 -","- C32 H72 Ga2 N2 O2 P4 Te4 -","- C64 H144 Ga4 N4 O4 P8 Te8 -","2","0.5","","T. Chivers; May Copsey","Formation of Ga2Te2 and M3Te3 (M = Ga, In) rings from reactions of sodium ditelluroimidodiphosphinate with group 13 halides","Chemical Communications","2005","","","","","10.1039/b510342h","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100310","16.423","0.003","17.204","0.003","27.475","0.006","90","","90.31","0.03","90","","7763","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H90 In3 N3 O0.75 P6 Te9 -","- C39 H90 In3 N3 O0.75 P6 Te9 -","- C156 H360 In12 N12 O3 P24 Te36 -","4","1","","T. Chivers; May Copsey","Formation of Ga2Te2 and M3Te3 (M = Ga, In) rings from reactions of sodium ditelluroimidodiphosphinate with group 13 halides","Chemical Communications","2005","","","","","10.1039/b510342h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180105","2020-10-21","18:00:00",""
"7100311","13.634","0.003","16.349","0.003","16.396","0.003","78.16","0.03","85.85","0.03","79.27","0.03","3512.2","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H92 Ga3 N3 O P6 Te9 -","- C40 H92 Ga3 N3 O P6 Te9 -","- C80 H184 Ga6 N6 O2 P12 Te18 -","2","1","","T. Chivers; May Copsey","Formation of Ga2Te2 and M3Te3 (M = Ga, In) rings from reactions of sodium ditelluroimidodiphosphinate with group 13 halides","Chemical Communications","2005","","","","","10.1039/b510342h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100312","9.0591","0.0002","10.489","0.0003","11.0851","0.0003","81.79","0.0017","73.7421","0.0016","69.2406","0.0014","944.43","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 N8 O7 Pt S2 -","- C38 H40 N8 O7 Pt S2 -","- C38 H40 N8 O7 Pt S2 -","1","0.5","","Philip Gale; Mark E. Light; Stephen Loeb; Ismael El Drubi Vega","NH vs. CH hydrogen bond formation in metal-organic anion receptors containing pyrrolylpyridine ligands","Chemical Communications","2005","","","","","10.1039/b510506d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100313","9.441","0.0003","10.486","0.0003","11.247","0.0004","77.568","0.002","89.272","0.002","68.613","0.002","1009.8","0.06","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H38 B2 F8 N10 O4 Pt -","- C38 H38 B2 F8 N10 O4 Pt -","- C38 H38 B2 F8 N10 O4 Pt -","1","0.5","","Philip Gale; Mark E. Light; Stephen Loeb; Ismael El Drubi Vega","NH vs. CH hydrogen bond formation in metal-organic anion receptors containing pyrrolylpyridine ligands","Chemical Communications","2005","","","","","10.1039/b510506d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100314","36.887","0.007","22.223","0.004","25.007","0.005","90","","129.86","0.03","90","","15734","5","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63.5 H114 N16 P8 -","- C63.5 H114 N16 P8 -","- C508 H912 N128 P64 -","8","1","","D.S.Wright; Fay Dodds; Felipe Garcia; Richard A. Kowenicki; Mary McPartlin; Lucia Riera; Alexander Steiner","The Folded Phosph(III)azane Macrocycle [{P(mu-NtBu)}2{1,4-(NH)2C6H4}]4","Chemical Communications","2005","","","","","10.1039/b510636b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100315","9.8106","0.0008","25.305","0.002","26.82","0.002","73.971","0.004","82.771","0.006","88.05","0.006","6348.3","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H82 Cl2 N6 O8 Pd -","- C66 H82 Cl2 N6 O8 Pd -","- C264 H328 Cl8 N24 O32 Pd4 -","4","2","","D.A. Leigh; Paul J. Lusby; Alexandra M.Z. Slawin; D.Barney Walker","Half-rotation in a [2]catenane via interconvertible Pd(II) coordination modes","Chemical Communications","2005","","","","","10.1039/b510663j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100316","5.9045","0.0001","16.7946","0.0004","18.1015","0.0006","90","","90","","90","","1795.01","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C64 H112 N8 O20 -","4","1","","P.Bailey; B.C.A.Richard; Ian D.Collier; George L.Kellett; D.Meredith; Keith M.Morgan; Rachel Pettecrew; Richard A.Price; Robin G.Pritcharda","Conformational and spacial preferences for substrates of PepT1","Chemical Communications","2005","","","","","10.1039/b510697d","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100317","12.8506","0.0008","16.7507","0.001","19.3666","0.0012","90","","108.36","0.001","90","","3956.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H134 Br2 N18 O2 P6 -","- C54 H134 Br2 N18 O2 P6 -","- C108 H268 Br4 N36 O4 P12 -","2","0.5","","Alexander Steiner; Mark A. Benson","Connecting cyclophosphazenes via ring N-centres with covalent linkers","Chemical Communications","2005","","","","","10.1039/b510898e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180105","2020-10-21","18:00:00",""
"7100318","15.58","0.003","26.87","0.005","28.283","0.006","90.25","0.03","92.69","0.03","94.36","0.03","11792","4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H104 Br2 Cl10 N14 P6 -","- C54 H104 Br2 Cl10 N14 P6 -","- C324 H624 Br12 Cl60 N84 P36 -","6","3","","Alexander Steiner; Mark A. Benson","Connecting cyclophosphazenes via ring N-centres with covalent linkers","Chemical Communications","2005","","","","","10.1039/b510898e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100319","49.929","0.006","15.2205","0.0017","30.94","0.003","90","","118.633","0.002","90","","20637","4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H78 Br2 N9 P3 -","- C42 H78 Br2 N9 P3 -","- C672 H1248 Br32 N144 P48 -","16","2","","Alexander Steiner; Mark A. Benson","Connecting cyclophosphazenes via ring N-centres with covalent linkers","Chemical Communications","2005","","","","","10.1039/b510898e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180105","2020-10-21","18:00:00",""
"7100320","18.452","0.004","9.55","0.0019","14.06","0.003","90","","103.67","0.03","90","","2407.4","0.9","84","2","84","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","subsitituted phosphazene","","","- C8 H20 Cl2 N18 P4 -","- C8 H20 Cl2 N18 P4 -","- C32 H80 Cl8 N72 P16 -","4","0.5","","J. M. Shreeve; K. Muralidharan; Banidele A. Omotowa; Crystal Piekarski; Brendan Twamley","High energy density materials from azido cyclophosphazenes","Chemical Communications","2005","","","","","10.1039/b510924h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180105","2020-10-21","18:00:00",""
"7100321","11.3633","0.0017","38.624","0.006","12.6614","0.0019","90","","101.881","0.002","90","","5438","1.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Octyl","","","- C60 H88 O4 -","- C60 H88 O4 -","- C240 H352 O16 -","4","1","","Praveen Kumar Thallapally; Gareth O. Lloyd; Trevor B. Wirsig; Martin W. Bredenkamp; J.L.Atwood; Leonard J. Barbour","Organic crystals absorb hydrogen gas under mild conditions","Chemical Communications","2005","","","","","10.1039/b511341e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180105","2020-10-21","18:00:00",""
"7100322","10.556","0.007","11.115","0.009","14.15","0.01","71.78","0.06","75.76","0.06","84.77","0.06","1527","1","95","","","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 Cu F12 Gd N4 O10 -","- C20 H22 Cu F12 Gd N4 O10 -","- C40 H44 Cu2 F24 Gd2 N8 O20 -","2","1","","Takayuki Ishida; Yasuko Kobayashi; Takashi Nogami; Sohei Ueki","The first A2B2-heterometal ferrimagnetic chain. Structures and magnetic properties of polymeric [Gd2Cu2]n and the corresponding monomer","Chemical Communications","2005","","","","","10.1039/b511361j","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100323","26.5","0.01","11.984","0.009","23.72","0.02","90","","116.1","0.04","90","","6762","7","105","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Cu F12 Gd N4 O10 -","- C22 H26 Cu F12 Gd N4 O10 -","- C176 H208 Cu8 F96 Gd8 N32 O80 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b511361j","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100324","18.76","0.003","19.969","0.003","36.601","0.006","90","","90","","90","","13711","4","175","2","175","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C76 H120 O4 -","- C76 H120 O4 -","- C608 H960 O32 -","8","1","","Anthony Coleman; Srinivasan S. Kuduva; Patrick Shahgaldian; Michael J. Zaworotko","Amphiphilic Behavior of an Apparently Non-polar Calix-arene","Chemical Communications","2005","","","","","10.1039/b412925n","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100325","8.2007","0.0004","8.2007","0.0004","26.5896","0.0009","90","","90","","90","","1788.19","0.14","180","2","180","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C80 H112 O16 -","8","1","","Andrew B. Holmes; Andrew Ayscough; Andrew Bond; Gary C. H. Chiang; Sylvie Duckie; Gilles Pain","Synthesis of a simplified analogue of eleutherobin via a Claisen rearrangement and ring closing metathesis strategy","Chemical Communications","2005","","","","","10.1039/b413426e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100326","17.0801","0.0008","17.0717","0.0008","20.1404","0.001","90","","90.011","0.001","90","","5872.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H90 B32 N16 O98 V10 Zn10 -","- C16 H24 B32 N16 O94.84 V10 Zn10 -","- C32 H48 B64 N32 O189.68 V20 Zn20 -","2","0.5","","Ian Williams; Jiwen Cai; Teresa S.-C. Law; Herman H. Y. Sung; Mingmei Wu","Towards ceramic 'enzymes': vanadoborates with bimetallic centers [Zn4(m-B2O4H2)(V10B28O74H8)]8- and [Mn4(m-C2O4)(V10B28O74H8)]10-","Chemical Communications","2005","","","","","10.1039/b414697b","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100327","15.156","0.003","15.892","0.003","21.353","0.004","90","","90","","90","","5142.9","1.7","100","2","100","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C2 H82 B32 K6 Mn4 O119 V10 -","- C2 H10 B32 K6 Mn4 O119 V10 -","- C4 H20 B64 K12 Mn8 O238 V20 -","2","0.25","","Ian Williams; Jiwen Cai; Teresa S.-C. Law; Herman H. Y. Sung; Mingmei Wu","Towards ceramic 'enzymes': vanadoborates with bimetallic centers [Zn4(m-B2O4H2)(V10B28O74H8)]8- and [Mn4(m-C2O4)(V10B28O74H8)]10-","Chemical Communications","2005","","","","","10.1039/b414697b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100328","17.1826","0.0006","17.1826","0.0006","19.5059","0.0011","90","","90","","90","","5759","0.4","298","2","298","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C6 H114 B28 Mn4 O132 V10 -","- C6 H8 B28 Mn4 O100 V10 -","- C12 H16 B56 Mn8 O200 V20 -","2","0.125","","Ian Williams; Jiwen Cai; Teresa S.-C. Law; Herman H. Y. Sung; Mingmei Wu","Towards ceramic 'enzymes': vanadoborates with bimetallic centers [Zn4(m-B2O4H2)(V10B28O74H8)]8- and [Mn4(m-C2O4)(V10B28O74H8)]10-","Chemical Communications","2005","","","","","10.1039/b414697b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100329","9.18","0.0018","10.14","0.002","21.54","0.004","96.09","0.03","98.22","0.03","114.39","0.03","1776.8","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H33 B Cl2 N6 S3 Sn -","- C31 H33 B Cl2 N6 S3 Sn -","- C62 H66 B2 Cl4 N12 S6 Sn2 -","2","1","","M.K. Smith; A.F. Hill","Novel Poly(methimazolyl)borate Complexes of Niobium and Tantalum","Chemical Communications","2005","","","","","10.1039/b415852k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100330","25.983","0.005","10.429","0.005","16.715","0.005","90","","109.247","0.005","90","","4276","3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 B Cl4 N4 Nb S2 -","- C16 H22 B Cl4 N4 Nb S2 -","- C128 H176 B8 Cl32 N32 Nb8 S16 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b415852k","","","","","","","","","","","","","","","","","","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7100331","11.343","0.005","12.087","0.005","13.837","0.005","90","","90","","90","","1897.1","1.3","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6.5 H8 B0.5 Cl2 N2 S Ta0.5 -","- C6.5 H8 B0.5 Cl2 N2 S Ta0.5 -","- C52 H64 B4 Cl16 N16 S8 Ta4 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b415852k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100332","10.432","0.002","16.514","0.003","45.259","0.009","90","","95.53","0.03","90","","7761","3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 O6 -","- C32 H30 O6 -","- C384 H360 O72 -","12","3","","Anthony Coleman; Sebastien Cecillon; Oksana Danylyuk; Adina Lazar; Beth Rather; Kinga Suwinska; M. Zaworotko","Head-to-Tail Self-Assembly of a Caliz[4]arene Inclusion Polymer Controlled by a Pendant Arm","Chemical Communications","2005","","","","","10.1039/b416589f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100333","9.9991","0.0003","15.1151","0.0004","19.841","0.0006","90","","99.564","0.002","90","","2957","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cl3 O6 -","- C33 H31 Cl3 O6 -","- C132 H124 Cl12 O24 -","4","1","","Anthony Coleman; Sebastien Cecillon; Oksana Danylyuk; Adina Lazar; Beth Rather; Kinga Suwinska; M. Zaworotko","Head-to-Tail Self-Assembly of a Caliz[4]arene Inclusion Polymer Controlled by a Pendant Arm","Chemical Communications","2005","","","","","10.1039/b416589f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100334","10.2613","0.0003","11.2683","0.0003","14.4682","0.0003","85.602","0.002","71.504","0.002","80.313","0.001","1563.29","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H38 O6 -","- C39 H38 O6 -","- C78 H76 O12 -","2","1","","Anthony Coleman; Sebastien Cecillon; Oksana Danylyuk; Adina Lazar; Beth Rather; Kinga Suwinska; M. Zaworotko","Head-to-Tail Self-Assembly of a Caliz[4]arene Inclusion Polymer Controlled by a Pendant Arm","Chemical Communications","2005","","","","","10.1039/b416589f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100335","19.68","0.005","20.579","0.005","21.631","0.005","71.369","0.005","84.534","0.005","89.451","0.005","8262","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C276 H392 O135 P8 S12 Yb2 -","- C276 H392 O135 P8 S12 Yb2 -","- C276 H392 O135 P8 S12 Yb2 -","1","0.5","","Mohamed Makha; Colin L. Raston; Alexandre N. Sobolev; Allan H. White","Molecular capsules based on p-sulfonato-calix[6]arene shrouding two tetra-phenyl phosphonium cations","Chemical Communications","2005","","","","","10.1039/b416590j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277873","2022-09-15","11:31:04",""
"7100336","12.9507","0.0015","13.7625","0.0017","13.7737","0.0016","105.88","0.009","113.106","0.009","102.777","0.009","2016.5","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H86 Fe9 K5 N8 O54 -","- C49 H56 Fe9 K5 N8 O54 -","- C49 H56 Fe9 K5 N8 O54 -","1","0.5","","Wolfgang Schmitt; Christopher E. Anson; Wolfgang Wernsdorfer; Annie K. Powell","Encapsulation of [Fe(H2O)6]3+ by dinuclear {Fe2(hpdta)} units leads to a nonanuclear S = 13/2 Fe(III) oxo cluster showing magnetic hysteresis","Chemical Communications","2005","","","","","10.1039/b416766j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100337","7.8199","0.0007","10.4971","0.001","19.081","0.0018","90","","90","","90","","1566.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cu N3 O5 -","- C15 H8 Cu N3 O5 -","- C60 H32 Cu4 N12 O20 -","4","1","","Jarrod F. Eubank; Rosa D. Walsh; Mohamed Eddaoudi","Terminal co-ligand directed synthesis of a neutral, non-interpenetrated (10,3)-a metal-organic framework","Chemical Communications","2005","","","","","10.1039/b417013j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100338","10.0877","0.001","11.596","0.0011","14.6823","0.0014","90","","93.69","0.002","90","","1713.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cu N3 O4 -","- C17 H13 Cu N3 O4 -","- C68 H52 Cu4 N12 O16 -","4","1","","Jarrod F. Eubank; Rosa D. Walsh; Mohamed Eddaoudi","Terminal co-ligand directed synthesis of a neutral, non-interpenetrated (10,3)-a metal-organic framework","Chemical Communications","2005","","","","","10.1039/b417013j","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100339","9.156","0.002","9.156","0.002","44.51","0.03","90","","90","","120","","3231","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H40 Cl2 Cu3 N12 O15 -","- C34 H36 Cl2 Cu3 N12 O14 -","- C102 H108 Cl6 Cu9 N36 O42 -","3","0.166667","","Majumder, A.; Choudhury, C. R.; Mitra, S.; Rosair, G.; El Fallah, M. S.; Ribas, J.","","Chemical Communications","2005","","","2158","2160","10.1039/b417019a","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7100340","6.634","0.0002","15.327","0.0004","16.205","0.0006","90","","100.558","0.0012","90","","1619.82","0.09","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DP-1-137","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C84 H92 N12 O4 -","4","1","","D.G. Patel; J.B. Benedict; N.L. Frank; Roni A. Kopelman","Photochromism of a Spirooxazine in the Single Crystalline Phase","Chemical Communications","2005","","","","","10.1039/b417026a","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100341","10.5004","0.0012","12.53","0.0015","14.8353","0.0017","82.316","0.002","72.311","0.002","88.529","0.002","1842.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","TATM","","","- C38 H32 O6 S6 -","- C38 H32 O6 S6 -","- C76 H64 O12 S12 -","2","1","","John Ripmeester; Gary D. Enright; Paul S. Sidhu; Konstantin A. Udachin","The first example of a crystalline guest-free form of the tris(5-acetyl-3-thienyl) methane (TATM) host material.","Chemical Communications","2005","","","","","10.1039/b417110a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100342","7.9681","0.0008","10.7633","0.0011","11.9587","0.0012","95.793","0.002","106.221","0.002","95.522","0.002","971.41","0.17","125","1","398","2","","","","","","","","4","P -1","-P 1","2","TATM","","","- C19.05 H16.2 O3.05 S3 -","- C19.052 H16 O3.052 S3 -","- C38.104 H32 O6.104 S6 -","2","1","","John Ripmeester; Gary D. Enright; Paul S. Sidhu; Konstantin A. Udachin","The first example of a crystalline guest-free form of the tris(5-acetyl-3-thienyl) methane (TATM) host material.","Chemical Communications","2005","","","","","10.1039/b417110a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100343","8.1244","0.0004","10.4462","0.0005","12.2124","0.0006","94.597","0.001","108.372","0.001","94.436","0.001","974.68","0.08","125","2","125","2","","","","","","","","4","P -1","-P 1","2","TATM","","","- C19.5 H18 O3.5 S3 -","- C19.5 H18 O3.5 S3 -","- C39 H36 O7 S6 -","2","1","","John Ripmeester; Gary D. Enright; Paul S. Sidhu; Konstantin A. Udachin","The first example of a crystalline guest-free form of the tris(5-acetyl-3-thienyl) methane (TATM) host material.","Chemical Communications","2005","","","","","10.1039/b417110a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100344","8.2585","0.0004","10.3109","0.0004","12.4012","0.0005","82.728","0.001","70.596","0.001","85.778","0.001","987.44","0.07","398","2","398","2","","","","","","","","4","P -1","-P 1","2","TATM","","","- C40 H38 O7 S6 -","- C40 H38 O7 S6 -","- C40 H38 O7 S6 -","1","0.5","","John Ripmeester; Gary D. Enright; Paul S. Sidhu; Konstantin A. Udachin","The first example of a crystalline guest-free form of the tris(5-acetyl-3-thienyl) methane (TATM) host material.","Chemical Communications","2005","","","","","10.1039/b417110a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100345","8.1161","0.0004","10.5951","0.0005","12.3577","0.0006","94.912","0.001","107.857","0.001","95.914","0.001","998.33","0.08","125","2","125","2","","","","","","","","4","P -1","-P 1","2","TATM","","","- C20.5 H19 O3.5 S3 -","- C20.5 H19 O3.5 S3 -","- C41 H38 O7 S6 -","2","1","","John Ripmeester; Gary D. Enright; Paul S. Sidhu; Konstantin A. Udachin","The first example of a crystalline guest-free form of the tris(5-acetyl-3-thienyl) methane (TATM) host material.","Chemical Communications","2005","","","","","10.1039/b417110a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100346","9.2876","0.0018","5.0328","0.001","22.316","0.004","90","","92.567","0.004","90","","1042.1","0.4","219","2","219","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H8 Cu2 F10 N2 -","- C22 H8 Cu2 F10 N2 -","- C44 H16 Cu4 F20 N4 -","2","0.5","","Frieder Jaekle; Arnold Rheingold; Anand Sundararaman; Lev N. Zakharov","Competition of Cuprophilic and p-Stacking Interactions in the Formation of Supramolecular Stacks from Organocopper Complexes","Chemical Communications","2005","","","","","10.1039/b417532h","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100347","8.071","0.002","11.127","0.003","48.264","0.014","90","","90","","90","","4335","2","219","2","219","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C22 H8 Cu2 F10 N2 -","- C22 H8 Cu2 F10 N2 -","- C176 H64 Cu16 F80 N16 -","8","0.25","","Frieder Jaekle; Arnold Rheingold; Anand Sundararaman; Lev N. Zakharov","Competition of Cuprophilic and p-Stacking Interactions in the Formation of Supramolecular Stacks from Organocopper Complexes","Chemical Communications","2005","","","","","10.1039/b417532h","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100348","9.8916","0.001","18.9476","0.0019","5.7848","0.0006","90","","90","","90","","1084.2","0.19","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C11 H5 Cu F5 N -","- C11 H5 Cu F5 N -","- C44 H20 Cu4 F20 N4 -","4","0.5","","Frieder Jaekle; Arnold Rheingold; Anand Sundararaman; Lev N. Zakharov","Competition of Cuprophilic and p-Stacking Interactions in the Formation of Supramolecular Stacks from Organocopper Complexes","Chemical Communications","2005","","","","","10.1039/b417532h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100349","11.639","0.002","11.829","0.002","13.249","0.003","65.3","0.003","77.198","0.003","72.582","0.003","1571.4","0.5","96","2","96","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Br N4 O5 Re -","- C30 H24 Br N4 O5 Re -","- C60 H48 Br2 N8 O10 Re2 -","2","1","","Banerjee, Sangeeta Ray; Schaffer, Paul; Babich, John W.; Valliant, John F.; Zubieta, Jon","Design and synthesis of site directed maleimide bifunctional chelators for technetium and rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3886","3897","10.1039/b507096a","","x-ray","0.71073","MoKα","","0.0602","0.052","","","0.126","0.1299","","","","","","1.013","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100350","9.2492","0.0008","11.175","0.001","13.0963","0.0011","101.983","0.002","90.707","0.002","101.991","0.002","1293.06","0.19","96","2","96","2","","","","","","","","5","P -1","-P 1","2","Ligand Hydrochloride","","","- C27 H23 Cl3 N4 O2 -","- C27 H23 Cl3 N4 O2 -","- C54 H46 Cl6 N8 O4 -","2","1","","Banerjee, Sangeeta Ray; Schaffer, Paul; Babich, John W.; Valliant, John F.; Zubieta, Jon","Design and synthesis of site directed maleimide bifunctional chelators for technetium and rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3886","3897","10.1039/b507096a","","x-ray","0.71073","MoKα","","0.0577","0.0493","","","0.1188","0.125","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100351","8.6313","0.0012","18.633","0.003","12.933","0.0018","90","","104.947","0.002","90","","2009.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 N2 O2 S2 Y2 -","- C42 H48 N2 O2 S2 Y2 -","- C84 H96 N4 O4 S4 Y4 -","2","0.5","","Xigeng Zhou; Rui-Fang Cai; Zhen Pang; Pi Chengfu; Lin-Hong Weng; Libei Zhang; Ming Zhu; Zhenyu Zhu","Selective O2 oxidation of air-sensitive lanthanocene thiolates and thioether chelate","Chemical Communications","2005","","","","","10.1039/b417609j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180105","2020-10-21","18:00:00",""
"7100352","8.719","0.002","18.791","0.005","12.978","0.003","90","","104.453","0.003","90","","2059","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 N2 O2 S2 Sm2 -","- C42 H48 N2 O2 S2 Sm2 -","- C84 H96 N4 O4 S4 Sm4 -","2","0.5","","Xigeng Zhou; Rui-Fang Cai; Zhen Pang; Pi Chengfu; Lin-Hong Weng; Libei Zhang; Ming Zhu; Zhenyu Zhu","Selective O2 oxidation of air-sensitive lanthanocene thiolates and thioether chelate","Chemical Communications","2005","","","","","10.1039/b417609j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180105","2020-10-21","18:00:00",""
"7100353","8.716","0.003","19.324","0.007","17.25","0.006","90","","100.119","0.005","90","","2860.4","1.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 O S3 Sm -","- C27 H35 O S3 Sm -","- C108 H140 O4 S12 Sm4 -","4","1","","Xigeng Zhou; Rui-Fang Cai; Zhen Pang; Pi Chengfu; Lin-Hong Weng; Libei Zhang; Ming Zhu; Zhenyu Zhu","Selective O2 oxidation of air-sensitive lanthanocene thiolates and thioether chelate","Chemical Communications","2005","","","","","10.1039/b417609j","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100354","11.1544","0.0019","15.267","0.003","16.196","0.003","106.345","0.003","93.511","0.003","106.79","0.003","2503.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H138 F12 N4 O34 -","- C102 H114 F12 N4 O34 -","- C102 H114 F12 N4 O34 -","1","0.5","","Feihe Huang; Ilia A. Guzei; Jason W. Jones; Harry W. Gibson","Remarkably improved complexation of a bisparaquat by formation of a pseudocryptand-based [3]pseudorotaxane","Chemical Communications","2005","","","","","10.1039/b417661h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100355","8.9335","0.0018","9.5181","0.0019","9.5609","0.0019","110.127","0.003","99.664","0.003","101.08","0.003","724.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C32 H36 N4 O2 -","2","1","","Rajshekhar Ghosh; A.G. Samuelson","Insertion Mediated Catalytic Metathesis of Heterocumulenes.","Chemical Communications","2005","","","","","10.1039/b417713d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100356","9.505","0.005","10.689","0.006","10.748","0.006","81.385","0.009","71.862","0.009","88.352","0.009","1025.9","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C46 H46 N6 O4 -","2","1","","Rajshekhar Ghosh; A.G. Samuelson","Insertion Mediated Catalytic Metathesis of Heterocumulenes.","Chemical Communications","2005","","","","","10.1039/b417713d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100357","8.807","0.003","8.807","0.003","64.67","0.04","90","","90","","120","","4344","3","293","2","293","2","","","","","","","","4","P 65","P 65","170","Tyrosyl-alpha-aminoisobutyryl-tyrosyl-valine dihydrate","","","- C27 H40 N4 O9 -","- C27 H40 N4 O9 -","- C162 H240 N24 O54 -","6","1","","Arindam Banerjee; Apurba Kumar Das; Debasish Haldar; Raghurama P. Hegde; N. Shamala","X-ray crystallographic signature of supramolecular triple helix formation from a water soluble synthetic tetrapeptide","Chemical Communications","2005","","","","","10.1039/b417726f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100358","9.483","0.003","12.593","0.003","15.517","0.004","76.89","0.09","78.1","0.09","81.33","0.09","1755.4","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Pentaacqua-tris-(3,5-dinitro-4- methylbenzoato)praseodymium(iii) complex","","","- C24 H25 N6 O23 Pr -","- C24 H15 N6 O23 Pr -","- C48 H30 N12 O46 Pr2 -","2","1","","V. Pedireddi; Sunil Varughese","Hydrogen Bond Mediated Open-frame Networks in Coordination Polymers: Supramolecular Assemblies of Pr(III) and 3,5-Dinitro-4-methylbenzoic Acid with Aza-donor Compounds","Chemical Communications","2005","","","","","10.1039/b417754a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100359","9.774","0.004","12.721","0.006","16.355","0.007","72.01","0.09","82.9","0.09","83.15","0.09","1912.2","1.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Bisacqua-mono-(4,4'-bipyridyl)-tris-(3,5-dinitro-4- methylbenzoato) Praseodymium(iii) complex","","","- C34 H27 N8 O20 Pr -","- C34 H25 N8 O20 Pr -","- C68 H50 N16 O40 Pr2 -","2","1","","V. Pedireddi; Sunil Varughese","Hydrogen Bond Mediated Open-frame Networks in Coordination Polymers: Supramolecular Assemblies of Pr(III) and 3,5-Dinitro-4-methylbenzoic Acid with Aza-donor Compounds","Chemical Communications","2005","","","","","10.1039/b417754a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100360","9.51","0.009","12.669","0.009","16.43","0.002","72.28","0.02","79.06","0.02","79.72","0.02","1836","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Tetraacqa-hemi-(1,2-bis(4-pyridyl)ethene-tris-(3,5-dinitro-4- methyl benzoato) Praseodymium(iii) complex","","","- C30 H28 N7 O22 Pr -","- C30 H19 N7 O22 Pr -","- C60 H38 N14 O44 Pr2 -","2","1","","V. Pedireddi; Sunil Varughese","Hydrogen Bond Mediated Open-frame Networks in Coordination Polymers: Supramolecular Assemblies of Pr(III) and 3,5-Dinitro-4-methylbenzoic Acid with Aza-donor Compounds","Chemical Communications","2005","","","","","10.1039/b417754a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100361","9.517","0.002","12.747","0.002","16.366","0.003","72.21","0.02","78.98","0.03","79.84","0.02","1840.8","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Tetraacqua-hemi-(1,2-bis(4-pyridyl)ethane)-tris-3,5-dinitro-4- methyl benzoato Praseodymium(iii) complex","","","- C30 H29 N7 O22 Pr -","- C30 H19 N7 O22 Pr -","- C60 H38 N14 O44 Pr2 -","2","1","","V. Pedireddi; Sunil Varughese","Hydrogen Bond Mediated Open-frame Networks in Coordination Polymers: Supramolecular Assemblies of Pr(III) and 3,5-Dinitro-4-methylbenzoic Acid with Aza-donor Compounds","Chemical Communications","2005","","","","","10.1039/b417754a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100362","7.8446","0.0001","17.6912","0.0001","20.2936","0.0001","90","","90","","90","","2816.35","0.04","123","1","123","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 P2 Pt Si Ti -","- C26 H46 P2 Pt Si Ti -","- C104 H184 P8 Pt4 Si4 Ti4 -","4","1","","Tamm, M.; Kunst, A.; Herdtweck, E.","Regioselective Si-C Bond Activation in Silicon-Bridged Ansa-Cycloheptatrienyl-Cyclopentadienyl Complexes","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100363","7.8629","0.0001","17.7086","0.0001","20.1938","0.0001","90","","90","","90","","2811.8","0.04","123","1","123","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 P2 Pt Si V -","- C26 H46 P2 Pt Si V -","- C104 H184 P8 Pt4 Si4 V4 -","4","1","","","","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100364","10.3839","0.0012","6.2094","0.0004","15.9554","0.0018","90","","108.513","0.004","90","","975.53","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 Br N2 O2 -","- C21 H23 Br N2 O2 -","- C42 H46 Br2 N4 O4 -","2","1","","S. Caddick; D. Pardoe; N.R. Treweeke","Controlling diastereoselectivity in the reactions of enantiomerically pure a-bromoacyl-imidazolidinones with nitrogen nucleophiles. Substitution reactions with retention or inversion of configuration.","Chemical Communications","2005","","","","","10.1039/b417954d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100365","9.5902","0.0003","10.3216","0.0004","24.9928","0.001","90","","90","","90","","2473.94","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N3 O2 -","- C28 H31 N3 O2 -","- C112 H124 N12 O8 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b417954d","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100366","19.279","0.0016","6.0518","0.0008","17.189","0.002","90","","99.2","0.008","90","","1979.7","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H23 N5 O2 -","- C21 H23 N5 O2 -","- C84 H92 N20 O8 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b417954d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100367","12.143","0.0007","11.2307","0.0006","12.2015","0.0007","90","","101.686","0.001","90","","1629.48","0.16","130","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O Zn -","- C19 H23 N O Zn -","- C76 H92 N4 O4 Zn4 -","4","1","","Kyoko Nozaki; Tamejiro Hiyama; Koji Nakano","Asymmetric amplification in asymmetric alternating copolymerization of cyclohexene oxide and carbon dioxide","Chemical Communications","2005","","","","","10.1039/b417973k","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100368","11.098","0.004","14.847","0.007","29.42","0.01","90","","90","","90","","4847","3","173.1","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C58 H60 N O9 -","- C58 H60 N O9 -","- C232 H240 N4 O36 -","4","0.5","","S. Chatani; M. Nakamura; H. Akahane; N. Kohyama; M. Taki; T. Arata","Synthesis of C2-Chiral Bifunctional Spin Labels and Their Application to Troponin C","Chemical Communications","2005","","","","","10.1039/b418016j","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100369","10.11","0.002","11.449","0.002","14.007","0.003","79.04","0.02","79.75","0.01","70.44","0.01","1488.4","0.5","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O12 -","- C31 H28 N2 O12 -","- C62 H56 N4 O24 -","2","1","","B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee","Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran","Chemical Communications","2005","","","","","10.1039/b418035f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100370","8.56","0.0016","12.14","0.002","25.374","0.005","90","","90","","90","","2636.8","0.8","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","2","","B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee","Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran","Chemical Communications","2005","","","","","10.1039/b418035f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100371","12.6293","0.0016","12.9407","0.0017","19.247","0.003","90","","90","","90","","3145.6","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H30 N2 O14 -","- C33 H30 N2 O14 -","- C132 H120 N8 O56 -","4","1","","B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee","Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran","Chemical Communications","2005","","","","","10.1039/b418035f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100372","15.354","0.004","6.088","0.0009","14.926","0.002","90","","113.236","0.017","90","","1282","0.4","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H17 O4 -","- C15 H17 O4 -","- C60 H68 O16 -","4","1","","B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee","Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran","Chemical Communications","2005","","","","","10.1039/b418035f","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100373","6.32","0.006","23.154","0.016","9.673","0.006","90","","105.89","0.06","90","","1361.4","1.8","190","2","190","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee","Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran","Chemical Communications","2005","","","","","10.1039/b418035f","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100374","34.238","0.008","6.778","0.002","18.623","0.01","90","","109.64","0.02","90","","4070","3","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 N O8 -","- C23 H23 N O8 -","- C184 H184 N8 O64 -","8","1","","B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee","Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran","Chemical Communications","2005","","","","","10.1039/b418035f","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100375","19.378","0.005","24.094","0.006","32.776","0.009","90","","93.963","0.005","90","","15266","7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C109 H194 Fe2.5 O84.5 -","- C109 H144 Fe2.5 O84.5 -","- C436 H576 Fe10 O338 -","4","1","","Yu Liu; Hai-Bin Song; Heng-Yi Zhang; Rui-Qin Zhong","A unique tetramer of 4:5 b-cyclodextrin-ferrocene in the solid state","Chemical Communications","2005","","","","","10.1039/b418220k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100376","12.028","0.009","5.654","0.004","12.89","0.01","90","","99.2","0.06","90","","865","1","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","methylammonium anthracene-2,6-disulfonate","","","- C8 H10 N O3 S -","- C8 H10 N O3 S -","- C32 H40 N4 O12 S4 -","4","1","","Y. Mizobe; N. Tohnai; M. Miyata; Y. Hasegawa","Tunable solid-state fluorescence system consisted of organic salts of anthracene-2,6-disulfnic acid with primary amines","Chemical Communications","2005","","","","","10.1039/b418241c","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100377","35.574","0.005","7.465","0.001","7.659","0.001","90","","99.48","0.01","90","","2006.3","0.5","213.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ethylammonium anthracene-2,6-disulfonate","","","- C9 H12 N O3 S -","- C9 H12 N O3 S -","- C72 H96 N8 O24 S8 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b418241c","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100378","5.925","0.003","7.508","0.004","14.947","0.004","77.02","0.02","82.659","0.008","86.15","0.02","642.1","0.5","213.2","","","","","","","","","","","5","P -1","-P 1","2","n-amylammonium anthracene-2,6-disulfonate","","","- C12 H18 N O3 S -","- C12 H18 N O3 S -","- C24 H36 N2 O6 S2 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b418241c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100379","10.675","0.003","13.281","0.003","19.726","0.005","101.281","0.004","97.104","0.004","102.741","0.004","2634.1","1.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C84 H144 K8 N16 O93 -","- C84 H144 K8 N16 O9 -","- C84 H144 K8 N16 O9 -","1","1","","Polly Arnold; Mark Rodden; Claire Wilson","Thermally stable potassium N-heterocyclic carbene complexes with alkoxide ligands, and a polymeric crystal structure with distorted, bridging carbenes","Chemical Communications","2005","","","","","10.1039/b418302a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100380","14.5472","0.0014","24.032","0.002","14.8451","0.0014","90","","95.943","0.002","90","","5161.9","0.8","193.15","","193.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H87.5 B6 Cd3 F24 N36 O7.75 -","- C72 H84 B6 Cd3 F24 N36 O7.76 -","- C144 H168 B12 Cd6 F48 N72 O15.52 -","2","0.5","","Baolong Li; Li Baozong; Peng Yanfen; Zhang Yong","Supramolecular isomers in the same crystal: a new type of polycatenation involving ribbons of rings and 2D square networks polycatenated in 3D architecture","Chemical Communications","2005","","","","","10.1039/b418392d","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100381","9.9995","0.0004","11.6029","0.0005","20.2826","0.001","82.925","0.003","88.436","0.003","77.008","0.002","2275.55","0.17","193.15","","193.15","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H49 B2 Cd F8 N15 O5 -","- C33 H49 B2 Cd F8 N15 O5 -","- C66 H98 B4 Cd2 F16 N30 O10 -","2","1","","Baolong Li; Li Baozong; Peng Yanfen; Zhang Yong","Supramolecular isomers in the same crystal: a new type of polycatenation involving ribbons of rings and 2D square networks polycatenated in 3D architecture","Chemical Communications","2005","","","","","10.1039/b418392d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100382","15.744","0.003","16.954","0.003","14.824","0.003","90","","118.91","0.03","90","","3463.7","1.2","193.15","","193.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cd Cl2 N12 O12 -","- C24 H32 Cd Cl2 N12 O12 -","- C96 H128 Cd4 Cl8 N48 O48 -","4","0.5","","Baolong Li; Li Baozong; Peng Yanfen; Zhang Yong","Supramolecular isomers in the same crystal: a new type of polycatenation involving ribbons of rings and 2D square networks polycatenated in 3D architecture","Chemical Communications","2005","","","","","10.1039/b418392d","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100383","11.6707","0.0007","14.1256","0.0011","14.9212","0.0009","89.544","0.005","71.742","0.004","82.64","0.004","2315.4","0.3","193.15","","193.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H49 Cd Cl2 N15 O13 -","- C33 H49 Cd Cl2 N15 O13 -","- C66 H98 Cd2 Cl4 N30 O26 -","2","1","","Baolong Li; Li Baozong; Peng Yanfen; Zhang Yong","Supramolecular isomers in the same crystal: a new type of polycatenation involving ribbons of rings and 2D square networks polycatenated in 3D architecture","Chemical Communications","2005","","","","","10.1039/b418392d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100384","11.702","0.001","13.351","0.001","14.156","0.001","90","","100.81","0.01","90","","2172.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H38 N4 O S -","- C19 H38 N4 O S -","- C76 H152 N16 O4 S4 -","4","2","","Albrecht Berkessel; Felix Cleeman; Johann Lex; Santanu Mukherjee; Thomas N. Muller","Second-Generation Organocatalysts for the Highly Enantioselective Dynamic Kinetic Resolution of Azlactones","Chemical Communications","2005","","","","","10.1039/b418666d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100385","56.06","0.03","56.06","0.03","35.87","0.05","90","","90","","120","","97625","138","110","2","110","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","(Ni6Fe2Co3)(2).13ClO4.17H2O","","","- C108 H190 Cl13 Co3 Fe2 N24 Ni6 O99 -","- C108 H96 Cl13 Co3 Fe2 N24 Ni5.98 O98.9 -","- C1944 H1728 Cl234 Co54 Fe36 N432 Ni107.64 O1780.2 -","18","0.5","","K. Dunbar; Curtis Berlinguette","The step-wise assembly of an undecanuclear heterotrimetallic cyanide cluster","Chemical Communications","2005","","","","","10.1039/b418698b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180105","2020-10-21","18:00:00",""
"7100386","9.0599","0.0017","16.21","0.003","12.45","0.002","90","","100.767","0.003","90","","1796.2","0.6","143","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H33 N O Ti -","- C17 H33 N O Ti -","- C68 H132 N4 O4 Ti4 -","4","1","","Robert Waymouth; Andrew P. Dove; Xiangjin Xie.","Cyclopentadienyl titanium hydroxylaminato complexes as highly active catalysts for the polymerisation of propylene","Chemical Communications","2005","","","","","10.1039/b418778d","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100387","17.548","0.0004","19.987","0.0005","25.215","0.0009","95.486","0.0011","99.031","0.0011","106.429","0.0013","8285.5","0.4","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C160 H200 N8 O8 S8 Zn2 -","- C160 H200 N8 O8 S8 Zn2 -","- C320 H400 N16 O16 S16 Zn4 -","2","1","","J. Sanders; Maxwell Gunter; Thibaut Jarrosson; Amy L. Kieran; Sofia Ioana Pascu","Dynamic synthesis of a macrocycle containing a porphyrin and an electron donor","Chemical Communications","2005","","","","","10.1039/b418811j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100388","15.4507","0.0001","18.8773","0.0002","26.9207","0.0003","90.5208","0.0003","99.9292","0.0003","102.803","0.0004","7532.83","0.12","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C160 H204 N8 O8 S8 -","- C160 H204 N8 O8 S8 -","- C320 H408 N16 O16 S16 -","2","1","","J. Sanders; Maxwell Gunter; Thibaut Jarrosson; Amy L. Kieran; Sofia Ioana Pascu","Dynamic synthesis of a macrocycle containing a porphyrin and an electron donor","Chemical Communications","2005","","","","","10.1039/b418811j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100389","23.92","0.002","20.333","0.002","10.944","0.001","90","","99.1","0.01","90","","5255.8","0.8","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C68 H62 V4 -","- C68 H62 V4 -","- C272 H248 V16 -","4","0.5","","Ch. Elschenbroich; Olaf Burghaus; Klaus Harms; Olav Schiemann","1,2,4,5-Tetra([5]trovacenyl)benzene: an organometallic tetraradical displaying pronounced electro- and magnetocommunication","Chemical Communications","2005","","","","","10.1039/b418831b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180105","2020-10-21","18:00:00",""
"7100390","9.092","0.0005","6.047","0.0004","9.461","0.0005","90","","113.162","0.0013","90","","478.23","0.05","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 N O -","- C4 H7 N O -","- C16 H28 N4 O4 -","4","1","","Bruce Foxman; Volker Enkelmann; Evan R. Guggenheim; Chengyun Guo; Magali B. Hickey","Conformational Polymorphism of Methacrylamide","Chemical Communications","2005","","","","","10.1039/b418869a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100391","5.934","0.007","10.242","0.005","16.436","0.003","90","","90","","90","","998.9","1.3","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H7 N O -","- C4 H7 N O -","- C32 H56 N8 O8 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b418869a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100392","9.3652","0.0017","6.0863","0.0015","9.743","0.003","90","","115.3","0.02","90","","502.1","0.2","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 N O -","- C4 H7 N O -","- C16 H28 N4 O4 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b418869a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100393","5.72","0.0004","10.16","0.0005","16.241","0.0007","90","","90","","90","","943.85","0.09","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H7 N O -","- C4 H7 N O -","- C32 H56 N8 O8 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b418869a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100394","15.9215","0.0002","11.2562","0.0002","22.8096","0.0003","90","","104.38","0.001","90","","3959.8","0.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Pt2(mu–P(tBu)2)(mu,eta1,eta2–C(Ph)CH2)(C=C–Ph)(CO)(PtBu2H )(Br))","","","- C37 H57 Br O2 P2 Pt2 -","- C37 H57 Br O2 P2 Pt2 -","- C148 H228 Br4 O8 P8 Pt8 -","4","1","","A. Albinati; Valeria Filippi; Piero Leoni; Lorella Marchetti; Marco Pasquali; V. Passarelli","Unprecedented Reversible Coupling of Alkynyl and Phosphide ligands on a Dinuclear Platinum Framework","Chemical Communications","2005","","","","","10.1039/b418893d","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100395","16.7547","0.0001","20.0887","0.0001","25.9733","0.0003","90","","90","","90","","8742.1","0.1","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(Pt2(mu–kappaP:eta2- P(tBu)2–CC–Ph)(mu,eta2–C(Ph)CH2)(CO)(P(tBu)2H))(PF6)","","","- C37 H59 F6 O3 P3 Pt2 -","- C37 H59 F6 O3 P3 Pt2 -","- C296 H472 F48 O24 P24 Pt16 -","8","1","","A. Albinati; Valeria Filippi; Piero Leoni; Lorella Marchetti; Marco Pasquali; V. Passarelli","Unprecedented Reversible Coupling of Alkynyl and Phosphide ligands on a Dinuclear Platinum Framework","Chemical Communications","2005","","","","","10.1039/b418893d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100396","29.967","0.003","13.6607","0.0012","23.462","0.002","90","","92.711","0.002","90","","9593.9","1.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","02198","","","- C49 H60 Cu F3 N4 O5 S -","- C45 H52 Cu F3 N4 O4 S -","- C360 H416 Cu8 F24 N32 O32 S8 -","8","1","","William Tolman; Nermeen W. Aboelella; Elizabeth A. Lewis; Anne M. Reynolds","Reactivity of a 1:1 Copper-Oxygen Complex: Isolation of a Cu(II)-o-Iminosemiquinonato Species","Chemical Communications","2005","","","","","10.1039/b418939f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180105","2020-10-21","18:00:00",""
"7100397","11.6105","0.001","21.0202","0.0012","15.9832","0.0009","90","","97.837","0.002","90","","3864","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Me2LiPr2)Cu(PMePh2)","","","- C42 H54 Cu N2 P -","- C42 H54 Cu N2 P -","- C168 H216 Cu4 N8 P4 -","4","1","","William Tolman; Nermeen W. Aboelella; Elizabeth A. Lewis; Anne M. Reynolds","Reactivity of a 1:1 Copper-Oxygen Complex: Isolation of a Cu(II)-o-Iminosemiquinonato Species","Chemical Communications","2005","","","","","10.1039/b418939f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180105","2020-10-21","18:00:00",""
"7100398","23.439","0.002","15.9011","0.0015","24.217","0.002","90","","111.85","0.002","90","","8377.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Me2LiPr2CuPPh3","","","- C47 H56 Cu N2 P -","- C47 H56 Cu N2 P -","- C376 H448 Cu8 N16 P8 -","8","2","","William Tolman; Nermeen W. Aboelella; Elizabeth A. Lewis; Anne M. Reynolds","Reactivity of a 1:1 Copper-Oxygen Complex: Isolation of a Cu(II)-o-Iminosemiquinonato Species","Chemical Communications","2005","","","","","10.1039/b418939f","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100399","15.7997","0.0018","8.254","0.0009","27.53","0.003","90","","92.861","0.002","90","","3585.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis((1-methylimidazol-2-yl)methyl)(1-methyl-4-nitro -imidazol- 2-yl)methyl)amine boric acid","","","- C30 H43 B N16 O7 -","- C30 H43 B N16 O7 -","- C120 H172 B4 N64 O28 -","4","1","","Robert Buchanan; Lionel E. Cheruzel; Mark S. Mashuta","A supramolecular assembly of side-by-side polyimidazole tripod coils stabilized by ð-ð stacking and unique boric acid templated hydrogen bonding interactions","Chemical Communications","2005","","","","","10.1039/b419040h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100400","12.9266","0.0005","13.3289","0.0005","16.5474","0.0007","90","","105.355","0.001","90","","2749.3","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","04srv365","","","- C22 H34 Ag N7 O7 S2 -","- C22 H34 Ag N7 O7 S2 -","- C88 H136 Ag4 N28 O28 S8 -","4","1","","Jonathan Steed; Lucas Applegarth; Andres Goeta","Influence of Hydrogen Bonding on Coordination Polymer Assembly","Chemical Communications","2005","","","","","10.1039/b419216h","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100401","9.4135","0.0007","10.9132","0.0009","12.381","0.001","110.425","0.001","95.568","0.001","102.52","0.001","1142.69","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","04srv384","","","- C18 H28 Ag N7 O8 -","- C18 H22 Ag N7 O8 -","- C36 H44 Ag2 N14 O16 -","2","1","","Jonathan Steed; Lucas Applegarth; Andres Goeta","Influence of Hydrogen Bonding on Coordination Polymer Assembly","Chemical Communications","2005","","","","","10.1039/b419216h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100402","8.329","0.015","11.137","0.017","11.87","0.03","76.62","0.07","73.46","0.07","82.32","0.07","1024","3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 F N2 O2 -","- C11 H11 F N2 O2 -","- C44 H44 F4 N8 O8 -","4","2","","T. Hanamoto; Y. Koga; E. Kido; T. Kawanami; H. Furuno; J. Inanaga","","Chemical Communications","2005","","","","","10.1039/b419329f","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100403","11.954","0.002","12.985","0.002","13.116","0.002","61.926","0.003","77.409","0.003","68.296","0.003","1666.5","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Ag O2 P3 S2 -","- C30 H34 Ag O2 P3 S2 -","- C60 H68 Ag2 O4 P6 S4 -","2","1","","Chen-Wei Liu; Ben-Jie Liaw; Lin-Shou Liou; Ju-Chun Wang","A 2D honeycomb-shaped network based on a starburst cluster:[Ag4(Cl)(PPh2(CH2)2PPh2)1.5{S2P(OR)2}3](R = Et, iPr)","Chemical Communications","2005","","","","","10.1039/b419474h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100404","19.7782","0.0016","19.7782","0.0016","32.244","0.004","90","","90","","120","","10923.2","1.8","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C51 H66 Ag4 Cl O6 P6 S6 -","- C51 H66 Ag4 Cl O6 P6 S6 -","- C306 H396 Ag24 Cl6 O36 P36 S36 -","6","0.333333","","Chen-Wei Liu; Ben-Jie Liaw; Lin-Shou Liou; Ju-Chun Wang","A 2D honeycomb-shaped network based on a starburst cluster:[Ag4(Cl)(PPh2(CH2)2PPh2)1.5{S2P(OR)2}3](R = Et, iPr)","Chemical Communications","2005","","","","","10.1039/b419474h","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100405","19.8652","0.0017","19.8652","0.0017","33.169","0.004","90","","90","","120","","11336","2","298","2","298","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C57 H78 Ag4 Cl O6 P6 S6 -","- C57 H57 Ag4 Cl O6 P6 S6 -","- C342 H342 Ag24 Cl6 O36 P36 S36 -","6","0.333333","","Chen-Wei Liu; Ben-Jie Liaw; Lin-Shou Liou; Ju-Chun Wang","A 2D honeycomb-shaped network based on a starburst cluster:[Ag4(Cl)(PPh2(CH2)2PPh2)1.5{S2P(OR)2}3](R = Et, iPr)","Chemical Communications","2005","","","","","10.1039/b419474h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180106","2020-10-21","18:00:00",""
"7100406","7.508","0.017","8.223","0.007","12.453","0.008","77.46","0.06","83.05","0.1","74.89","0.1","722.8","1.8","298","","298","","","","","","","","","4","P -1","-P 1","2","(1S,5S,7(3')S/1R,5R,7(3')R)-(1-Acetyl-5-methyl-6,8- dioxabicyclo(3.2.1)octane)-7-spiro-3'-(indolin-2'-one)","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Deevi Basavaiah; Jamjanam Srivardhana Rao; Anumolu Jaganmohan Rao; Raju J. Reddy","TiCl4 Catalyzed Tandem Construction of C-C and C-O Bonds: a Simple and One-Pot Atom-Economical Stereoselective Synthesis of Spiro-Oxindoles","Chemical Communications","2005","","","","","10.1039/b500224a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100407","12.5767","0.0008","9.3151","0.0006","15.5341","0.0011","90","","109.086","0.001","90","","1719.8","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(1S,5S,7(3')S/1R,5R,7(3')R)-(1-Acetyl-5-methyl-6,8- dioxabicyclo(3.2.1)octane)-7-spiro-3'-(5'-bromo-1'-ethylindolin-2'-one)","","","- C18 H20 Br N O4 -","- C18 H20 Br N O4 -","- C72 H80 Br4 N4 O16 -","4","1","","Deevi Basavaiah; Jamjanam Srivardhana Rao; Anumolu Jaganmohan Rao; Raju J. Reddy","TiCl4 Catalyzed Tandem Construction of C-C and C-O Bonds: a Simple and One-Pot Atom-Economical Stereoselective Synthesis of Spiro-Oxindoles","Chemical Communications","2005","","","","","10.1039/b500224a","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100408","11.901","0.002","9.0504","0.0013","14.859","0.006","90","","90.66","0.02","90","","1600.4","0.7","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(1S,5S,7(1')S/1R,5R,7(1')R)-(1-Acetyl-5-methyl-6,8- dioxabicyclo(3.2.1)octane)-7-spiro-1'-(1',2'-dihydroacenaphthalene-2'- one)","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Deevi Basavaiah; Jamjanam Srivardhana Rao; Anumolu Jaganmohan Rao; Raju J. Reddy","TiCl4 Catalyzed Tandem Construction of C-C and C-O Bonds: a Simple and One-Pot Atom-Economical Stereoselective Synthesis of Spiro-Oxindoles","Chemical Communications","2005","","","","","10.1039/b500224a","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100409","12.332","0.012","10.334","0.01","16.89","0.017","90","","102.652","0.016","90","","2100","4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TripleHelix","","","- C20 H24 Cd N4 O7 -","- C20 H24 Cd N4 O7 -","- C80 H96 Cd4 N16 O28 -","4","1","","L. Barbour; Jerry L. Atwood; Gareth O. Lloyd","Water-assisted self-assembly of harmonic single and triple helices in a polymeric coordination complex","Chemical Communications","2005","","","","","10.1039/b500235b","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100410","16.319","0.002","16.9323","0.0018","10.3987","0.0012","90","","115.413","0.005","90","","2595.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 B10 Ru2 -","- C20 H40 B12 Ru2 -","- C80 H160 B48 Ru8 -","4","0.5","","Ellis, David; Lopez, Maria Elena; McIntosh, Ruaraidh; Rosair, Georgina M.; Welch, Alan J.","Fourteen-vertex homo- and heterobimetallic metallacarboranes","Chemical Communications","2005","","","","","10.1039/b500236b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180106","2020-10-21","18:00:00",""
"7100411","12.7337","0.0009","17.0657","0.0012","17.4612","0.0012","90","","92.338","0.004","90","","3791.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 B10 Ni P2 Ru -","- C38 H50 B10 Ni P2 Ru -","- C152 H200 B40 Ni4 P8 Ru4 -","4","1","","Ellis, David; Lopez, Maria Elena; McIntosh, Ruaraidh; Rosair, Georgina M.; Welch, Alan J.","Fourteen-vertex homo- and heterobimetallic metallacarboranes","Chemical Communications","2005","","","","","10.1039/b500236b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180106","2020-10-21","18:00:00",""
"7100412","8.6618","0.0015","16.427","0.003","33.971","0.006","90","","90","","90","","4833.7","1.4","141","2","141","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H36 F15 N6 Rh -","- C55 H36 F15 N6 Rh -","- C220 H144 F60 N24 Rh4 -","4","1","","Jim Collman; Richard A Decreau; Todd A. Eberspacher; Christopher J. Sunderland; Hong Wang","Synthesis and Characterization of RhIII Corroles: Unusual Reactivity Patterns Observed During Metallation reactions","Chemical Communications","2005","","","","","10.1039/b500247h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","134198","2020-10-21","18:00:00",""
"7100413","13.5052","0.001","15.087","0.0012","18.9553","0.0014","99.273","0.002","104.999","0.002","93.197","0.002","3662.6","0.5","128","2","128","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H86 B F20 N3 O2 Ti -","- C79 H86 B F20 N3 O2 Ti -","- C158 H172 B2 F40 N6 O4 Ti2 -","2","1","","Daniel Mindiola; Brad C. Bailey; Falguni Basuli; Doug Brown; Rodney L. Clark; John C. Huffman","Latent low-coordinate titanium imides supported by a sterically encumbering beta-diketiminate ligand","Chemical Communications","2005","","","","","10.1039/b500350d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277873","2022-09-15","11:31:04",""
"7100414","21.124","0.01","22.856","0.011","38.962","0.019","90","","90","","90","","18811","16","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H70 F3 N3 O3 S Ti -","- C48 H70 F3 N3 O3 S Ti -","- C768 H1120 F48 N48 O48 S16 Ti16 -","16","2","","Daniel Mindiola; Brad C. Bailey; Falguni Basuli; Doug Brown; Rodney L. Clark; John C. Huffman","Latent low-coordinate titanium imides supported by a sterically encumbering beta-diketiminate ligand","Chemical Communications","2005","","","","","10.1039/b500350d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100415","12.5278","0.0009","18.935","0.0014","19.1865","0.0014","86.622","0.002","88.397","0.002","89.408","0.002","4541.4","0.6","126","2","126","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H75.5 N3 O0.25 Ti -","- C49 H75.5 N3 O0.25 Ti -","- C196 H302 N12 O Ti4 -","4","2","","Daniel Mindiola; Brad C. Bailey; Falguni Basuli; Doug Brown; Rodney L. Clark; John C. Huffman","Latent low-coordinate titanium imides supported by a sterically encumbering beta-diketiminate ligand","Chemical Communications","2005","","","","","10.1039/b500350d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100416","13.3722","0.0014","14.0266","0.0014","17.6246","0.0018","79.495","0.003","88.114","0.003","86.204","0.003","3242.5","0.6","128","2","128","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H78 B F16 N3 Ti -","- C72 H76 B F16.114 N3 Ti -","- C144 H152 B2 F32.228 N6 Ti2 -","2","1","","Daniel Mindiola; Brad C. Bailey; Falguni Basuli; Doug Brown; Rodney L. Clark; John C. Huffman","Latent low-coordinate titanium imides supported by a sterically encumbering beta-diketiminate ligand","Chemical Communications","2005","","","","","10.1039/b500350d","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100417","12.8762","0.0007","20.6426","0.001","18.4262","0.001","90","","99.511","0.002","90","","4830.3","0.4","126","2","126","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H73 Cl4 N3 Ti -","- C48.5 H72 Cl4 N3 Ti -","- C194 H288 Cl16 N12 Ti4 -","4","1","","Daniel Mindiola; Brad C. Bailey; Falguni Basuli; Doug Brown; Rodney L. Clark; John C. Huffman","Latent low-coordinate titanium imides supported by a sterically encumbering beta-diketiminate ligand","Chemical Communications","2005","","","","","10.1039/b500350d","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100418","13.5063","0.0009","15.1201","0.001","18.9733","0.0012","98.775","0.002","104.464","0.002","93.096","0.002","3690.7","0.4","131","2","131","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H84.11 B F21 N3 O Ti -","- C81 H84.106 B F21 N3 O Ti -","- C162 H168.212 B2 F42 N6 O2 Ti2 -","2","1","","Daniel Mindiola; Brad C. Bailey; Falguni Basuli; Doug Brown; Rodney L. Clark; John C. Huffman","Latent low-coordinate titanium imides supported by a sterically encumbering beta-diketiminate ligand","Chemical Communications","2005","","","","","10.1039/b500350d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100419","12.6445","0.0017","17.067","0.002","17.378","0.002","94.19","0.004","106.094","0.004","93.621","0.004","3580","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H81 B F20 N4 Ti -","- C79 H81 B F20 N4 Ti -","- C158 H162 B2 F40 N8 Ti2 -","2","1","","Daniel Mindiola; Brad C. Bailey; Falguni Basuli; Doug Brown; Rodney L. Clark; John C. Huffman","Latent low-coordinate titanium imides supported by a sterically encumbering beta-diketiminate ligand","Chemical Communications","2005","","","","","10.1039/b500350d","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100420","10.7826","0.0018","16.14","0.003","17.502","0.003","90","","90","","90","","3045.9","0.9","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H27 B F15 N5 Zr -","- C26 H27 B F15 N5 Zr -","- C104 H108 B4 F60 N20 Zr4 -","4","1","","Simon J. Lancaster; William Clegg; Ross W. Harrington; Simon Humphrey; Andrew J. Mountford","New Titanium and Zirconium Complexes with M-NH2 bonds formed by Facile Deprotonation of H3N*B(C6F5)3","Chemical Communications","2005","","","","","10.1039/b500407a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100421","13.5564","0.0002","13.1607","0.0002","15.8983","0.0003","90","","98.2522","0.0007","90","","2807.07","0.08","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 B F15 N4 Ti -","- C24 H20 B F15 N4 Ti -","- C96 H80 B4 F60 N16 Ti4 -","4","1","","Simon J. Lancaster; William Clegg; Ross W. Harrington; Simon Humphrey; Andrew J. Mountford","New Titanium and Zirconium Complexes with M-NH2 bonds formed by Facile Deprotonation of H3N*B(C6F5)3","Chemical Communications","2005","","","","","10.1039/b500407a","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100422","5.9752","0.0004","9.0939","0.0007","32.092","0.002","90","","90","","90","","1743.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-glycilprolylglycine methylester","","","- C15 H25 N3 O6 -","- C15 H25 N3 O6 -","- C60 H100 N12 O24 -","4","1","","Sandeep Verma; Alok Jain; P.K. Krishna; C.S. Purohit; R. Sankararamakrishnan","Enforcing Solution Phase Nanoscopic Aggregation in a Palindromic Tripeptide","Chemical Communications","2005","","","","","10.1039/b500654f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100423","9.649","0.0019","15.559","0.003","15.163","0.003","90","","91.96","0.03","90","","2275.1","0.8","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C31 H31 Cl9 Cu2 I2 N8 O4 -","- C28 H28 Cu2 I2 N8 O4 -","- C56 H56 Cu4 I4 N16 O8 -","2","0.25","","Kumar Biradha; Madhushree Sarkar","Beta-sheet recognition in the non-interpenetrated and interpenetrated two-dimensional coordination networks containing cavities","Chemical Communications","2005","","","","","10.1039/b500666j","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100424","11.312","0.002","10.012","0.002","16.597","0.003","90","","97.25","0.03","90","","1864.7","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 Cu2 I2 N4 O2 -","- C14 H14 Cu2 I2 N4 O2 -","- C56 H56 Cu8 I8 N16 O8 -","4","1","","Kumar Biradha; Madhushree Sarkar","Beta-sheet recognition in the non-interpenetrated and interpenetrated two-dimensional coordination networks containing cavities","Chemical Communications","2005","","","","","10.1039/b500666j","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100425","10.214","0.002","7.125","0.0014","14.425","0.003","90","","99.98","0.03","90","","1033.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cu N6 O12 -","- C14 H22 Cu N6 O12 -","- C28 H44 Cu2 N12 O24 -","2","0.5","","Kumar Biradha; Madhushree Sarkar","Beta-sheet recognition in the non-interpenetrated and interpenetrated two-dimensional coordination networks containing cavities","Chemical Communications","2005","","","","","10.1039/b500666j","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100426","10.134","0.003","12.243","0.003","13.037","0.003","103.358","0.004","99.906","0.005","100.772","0.004","1506.3","0.7","198","2","198","2","","","","","","","","5","P -1","-P 1","2","[NHC2P][Cl]","","","- C29 H48 Cl N4 P -","- C29 H48 Cl N4 P -","- C58 H96 Cl2 N8 P2 -","2","1","","Charles L. B. Macdonald; Andreas Decken; C. Adam Dyker; Bobby D. Ellis","The synthesis, characterisation and electronic structure of N-heterocyclic carbene adducts of P(I)","Chemical Communications","2005","","","","","10.1039/b500692a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100427","11.285","0.003","18.22","0.003","7.886","0.008","90","","90.44","0.04","90","","1621.4","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-chloro-2,4-dinitroaniline","","","- C6 H4 Cl N3 O4 -","- C6 H4 Cl N3 O4 -","- C48 H32 Cl8 N24 O32 -","8","2","","C. Malla Reddy; Srinivas Basavoju; Gautam Desiraju R","Sorting of polymorphs based on mechanical properties. Trimorphs of 6-chloro-2,4-dinitroaniline","Chemical Communications","2005","","","","","10.1039/b500712g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100428","8.1619","0.0018","3.6646","0.0008","13.278","0.003","90","","91.31","0.003","90","","397.04","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","6-Chloro-2,4-dinitroanilene","","","- C6 H4 Cl N3 O4 -","- C6 H4 Cl N3 O4 -","- C12 H8 Cl2 N6 O8 -","2","1","","C. Malla Reddy; Srinivas Basavoju; Gautam.Desiraju R","Sorting of polymorphs based on mechanical properties. Trimorphs of 6-chloro-2,4-dinitroaniline","Chemical Communications","2005","","","","","10.1039/b500712g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100429","7.9465","0.0012","8.917","0.003","12.98","0.004","89.35","0.03","85.575","0.019","63.978","0.015","823.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","6-Chloro-2,4-dinitroanilene","","","- C6 H4 Cl N3 O4 -","- C6 H4 Cl N3 O4 -","- C24 H16 Cl4 N12 O16 -","4","2","","C. Malla Reddy; Srinivas Basavoju; Gautam.Desiraju R","Sorting of polymorphs based on mechanical properties. Trimorphs of 6-chloro-2,4-dinitroaniline","Chemical Communications","2005","","","","","10.1039/b500712g","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100430","15.967","0.0003","19.106","0.0005","16.519","0.0004","90","","119.053","0.0011","90","","4405.27","0.18","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 N4 O4 S8 -","- C32 H48 N4 O2 S6 -","- C128 H192 N16 O8 S24 -","4","1","","Jonathan L. Sessler; Thomas Kohler; Vincent Lynch; David Sanchez-Garcia; Daniel Seidel","Straightforward synthesis of sulfur bridged oligopyrrolic macrocycles","Chemical Communications","2005","","","","","10.1039/b500735f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180106","2020-10-21","18:00:00",""
"7100431","18.6529","0.0003","8.898","0.001","15.4412","0.0003","90","","96.589","0.001","90","","2545.9","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 N2 O S6 -","- C20 H30 N2 O S6 -","- C80 H120 N8 O4 S24 -","4","0.5","","Jonathan L. Sessler; Thomas Kohler; Vincent Lynch; David Sanchez-Garcia; Daniel Seidel","Straightforward synthesis of sulfur bridged oligopyrrolic macrocycles","Chemical Communications","2005","","","","","10.1039/b500735f","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100432","4.709","0.0007","8.2955","0.0012","9.1628","0.0013","92.006","0.002","94.865","0.002","104.989","0.003","343.9","0.09","273","2","273","2","","","","","","","","3","P 1","P 1","1","cis-2,8-dihydroxypterocarpan","(6aS*,11aS*)-6a,11a-dihydro-2,8-dimethoxy-6H-benzofuro[3,2-c]chromene","","- C17 H16 O4 -","- C17 H16 O4 -","- C17 H16 O4 -","1","1","","Jonathan L. Sessler; Thomas Kohler; Vincent Lynch; David Sanchez-Garcia; Daniel Seidel","Straightforward synthesis of sulfur bridged oligopyrrolic macrocycles","Chemical Communications","2005","","","","","10.1039/b500919g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100433","8.0941","0.0008","8.7487","0.0008","10.2094","0.001","78.617","0.002","82.94","0.002","77.161","0.002","688.65","0.11","273","2","273","2","","","","","","","","3","P -1","-P 1","2","trans-2,8-dimethoxypterocarpan","(6aR*,11aS*)-6a,11a-dihydro-2,8-dimethoxy-6H-benzofuro[3,2-c]chromene","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Jonathan L. Sessler; Thomas Kohler; Vincent Lynch; David Sanchez-Garcia; Daniel Seidel","Straightforward synthesis of sulfur bridged oligopyrrolic macrocycles","Chemical Communications","2005","","","","","10.1039/b500919g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100434","9.1349","0.0018","26.78","0.005","8.5459","0.0017","90","","90","","90","","2090.6","0.7","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H13.5 Cl3.5 Cu1.5 N O -","- C4 H13.5 Cl3.5 Cu1.5 N O -","- C32 H108 Cl28 Cu12 N8 O8 -","8","1","","T. Chivers; Zhiyong Fu.; L. Thompson","Structure and Magnetic Properties of a Novel Copper Halide Framework {[tBuNH3]2[Cu3(ì3-OH)( ì2-H2O)Cl7]}n Synthesized via in situ Templation","Chemical Communications","2005","","","","","10.1039/b501040c","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100435","6.1048","0.0012","16.946","0.003","9.1044","0.0018","90","","90.63","0.03","90","","941.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Cl3 Cu N -","- C4 H12 Cl3 Cu N -","- C16 H48 Cl12 Cu4 N4 -","4","1","","T. Chivers; Zhiyong Fu.; L. Thompson","Structure and Magnetic Properties of a Novel Copper Halide Framework {[tBuNH3]2[Cu3(ì3-OH)( ì2-H2O)Cl7]}n Synthesized via in situ Templation","Chemical Communications","2005","","","","","10.1039/b501040c","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100436","10.241","0.002","13.79","0.003","16.238","0.003","103.15","0.03","94.85","0.03","103.03","0.03","2153.1","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.5 H66 Cl3 Cu N6 O2 P2 -","- C27.5 H63.75 Cl3 Cu N6 O2 P2 -","- C55 H127.5 Cl6 Cu2 N12 O4 P4 -","2","1","","T. Chivers; Zhiyong Fu.; L. Thompson","Structure and Magnetic Properties of a Novel Copper Halide Framework {[tBuNH3]2[Cu3(ì3-OH)( ì2-H2O)Cl7]}n Synthesized via in situ Templation","Chemical Communications","2005","","","","","10.1039/b501040c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100437","11.9662","0.0003","11.9662","0.0003","26.4783","0.0005","90","","90","","120","","3283.47","0.13","120","1","293","2","","","","","","","","8","P 32","P 32","145","","","","- C48 H51 B F5 N O2 P2 Pd -","- C48 H51 B F5 N O2 P2 Pd -","- C144 H153 B3 F15 N3 O6 P6 Pd3 -","3","1","","Annie-Claude Gaumont; Stephanie Pican","Palladium catalysed enantioselective phosphination reactions using secondary phosphine-boranes and aryl iodide","Chemical Communications","2005","","","","","10.1039/b501078k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100438","19.384","0.004","8.2478","0.0016","22.09","0.004","90","","100.02","0.03","90","","3477.9","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Co N10 O12 Y -","- C26 H32 Co N10 O12 Y -","- C104 H128 Co4 N40 O48 Y4 -","4","0.5","","Baoqing Ma; Song Gao; Hao-Ling Sun","Observation of an octameric water cluster containing book-shaped hexamer in a 4f-3d complex","Chemical Communications","2005","","","","","10.1039/b501161b","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100439","11.7616","0.0012","11.8456","0.0012","17.1991","0.0015","93.14","0.008","91.869","0.008","103.343","0.009","2325.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H42 N10 O14 P3 Zn3 -","- C45 H38 N10 O14 P3 Zn3 -","- C90 H76 N20 O28 P6 Zn6 -","2","1","","Brian Hanson; Jian Fan.","A Two-Dimensional Cationic Lattice Built from [Zn6(HPO4)2(PO4)2]2+ Clusters","Chemical Communications","2005","","","","","10.1039/b501221j","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100440","14.7345","0.0011","21.8136","0.0012","31.7901","0.0019","100.262","0.007","100.85","0.008","103.813","0.008","9474.5","1.3","200","","","","","","","","","","","7","P -1","-P 1","2","","","","- C151 H157 Eu3 F27 N35 O38 S9 -","- C151 H155 Eu3 F27 N35 O38 S9 -","- C302 H310 Eu6 F54 N70 O76 S18 -","2","1","","Jean-Michel Senegas; Sylvain Koeller; Gerald Bernardinelli; Claude Piguet","Isolation and characterization of the first circular single-stranded polymetallic lanthanide-containing helicate","Chemical Communications","2005","","","","","10.1039/b501399b","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100441","12.1023","0.0002","12.7993","0.0003","19.6691","0.0005","84.452","0.001","86.8","0.002","63.953","0.001","2724.19","0.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Sm(DippForm)2(THF)2]","","","- C58 H86 N4 O2 Sm -","- C58 H86 N4 O2 Sm -","- C116 H172 N8 O4 Sm2 -","2","1","","Peter Junk; Marcus Cole","The synthesis of a sterically hindered samarium(II) bis(amidinate) and conversion to its homoleptic trivalent congener","Chemical Communications","2005","","","","","10.1039/b501447f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100442","26.7632","0.0003","14.3697","0.0002","41.5794","0.0005","90","","91.786","0.001","90","","15982.8","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Na(THF)5][Sm(I)2(DippForm)2(THF)]","","","- C148 H236 I4 N8 Na2 O12 Sm2 -","- C148 H236 I4 N8 Na2 O12 Sm2 -","- C592 H944 I16 N32 Na8 O48 Sm8 -","4","1","","Peter Junk; Marcus Cole","The synthesis of a sterically hindered samarium(II) bis(amidinate) and conversion to its homoleptic trivalent congener","Chemical Communications","2005","","","","","10.1039/b501447f","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100443","13.1662","0.0002","37.9133","0.0008","16.4994","0.0003","90","","96.107","0.001","90","","8189.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Sm(DippForm)3].5/2C7H8","","","- C92.5 H125 N6 Sm -","- C92.5 H123.5 N6 Sm -","- C370 H494 N24 Sm4 -","4","1","","Peter Junk; Marcus Cole","The synthesis of a sterically hindered samarium(II) bis(amidinate) and conversion to its homoleptic trivalent congener","Chemical Communications","2005","","","","","10.1039/b501447f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100444","20.4714","0.0002","12.1996","0.0002","21.6593","0.0003","90","","110.065","0.001","90","","5080.93","0.12","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Sm(F)(DippForm)2(THF)]","","","- C54 H78 F N4 O Sm -","- C54 H78 F N4 O Sm -","- C216 H312 F4 N16 O4 Sm4 -","4","1","","Peter Junk; Marcus Cole","The synthesis of a sterically hindered samarium(II) bis(amidinate) and conversion to its homoleptic trivalent congener","Chemical Communications","2005","","","","","10.1039/b501447f","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100445","12.52","0.004","12.608","0.003","21.064","0.006","84.259","0.013","79.63","0.013","72.581","0.011","3116.8","1.5","","","93.2","","","","","","","","","5","P -1","-P 1","2","TETRAKIS-(4-(DIACETOXY)IODOPHENYL)METHANE","","","?","- C52.19 H52 Cl1.62 I4 O26.38 -","- C104.38 H104 Cl3.24 I8 O52.76 -","2","1","","Yasuyuki Kita; Toshifumi Dohl; Akinobu Maruyama; Koji Morimoto; Motoo Shiro; Hirofumi Tohma; M. Yoshimura","An unique site-selective reaction of ketones with new recyclable hypervalent iodine(III) reagents based on a tetraphenylmethane structure","Chemical Communications","2005","","","","","10.1039/b501475a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100446","9.455","0.0006","16.0074","0.0011","11.0347","0.0007","90","","98.466","0.001","90","","1651.9","0.19","188","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O7 Zn -","- C14 H11 N2 O7 Zn -","- C56 H44 N8 O28 Zn4 -","4","1","","Shuxia Liu; Bo Gao; Dehui Li; Zhongmin Su; Chunyan Sun; Linhua Xie; Chundan Zhang","A three-dimensional porous metal-organic framework with the rutile topology constructed from triangular and distorted octahedral building blocks","Chemical Communications","2005","","","","","10.1039/b501477h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180106","2020-10-21","18:00:00",""
"7100447","11.919","0.002","22.044","0.004","13.385","0.002","90","","96.863","0.004","90","","3491.6","1","150","2","150","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C60 H68 Cl3 Mn3 N10 O19 -","- C60 H68 Cl3 Mn3 N10 O19 -","- C120 H136 Cl6 Mn6 N20 O38 -","2","0.25","","Euan Brechin; George Christou; Muralee Murugesu; S. Parsons; Richard T. W. Scott; Wolfgang Wernsdorfer","Synthesis, Structure and Magnetic Properties of a Trinuclear [MnIIIMnII2] Single-Molecule Magnet","Chemical Communications","2005","","","","","10.1039/b501504a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180106","2020-10-21","18:00:00",""
"7100448","14.6304","0.0004","13.352","0.0004","17.034","0.0005","90","","101.689","0.002","90","","3258.5","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H89 Dy2 Mn2 N8 O26.5 -","- C44 H88 Dy2 Mn2 N8 O26.5 -","- C88 H176 Dy4 Mn4 N16 O53 -","2","0.5","","","","Chemical Communications","2005","","","","","10.1039/b501508a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100449","15.114","0.0002","17.695","0.0003","16.901","0.0003","90","","105.98","0.001","90","","4345.38","0.12","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H41 F3 N2 O3 P2 Pt S -","- C49 H38 F3 N2 O3 P2 Pt S -","- C196 H152 F12 N8 O12 P8 Pt4 S4 -","4","1","","Lan-Chang Liang; Wei-Ying Lee; Jia-Ming Lin","Benzene C-H Activation by Platinum(II) Complexes of Bis(2-diphenylphosphinophenyl)amide","Chemical Communications","2005","","","","","10.1039/b501520k","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100450","9.961","0.0002","18.601","0.0004","32.725","0.0009","90","","90","","90","","6063.4","0.2","293","2","293","2","","","","","","","","5","F 2 d d","F -2d 2","43","","","","- C37 H31 N P2 Pt -","- C37 H28 N P2 Pt -","- C296 H224 N8 P16 Pt8 -","8","0.5","","Lan-Chang Liang; Wei-Ying Lee; Jia-Ming Lin","Benzene C-H Activation by Platinum(II) Complexes of Bis(2-diphenylphosphinophenyl)amide","Chemical Communications","2005","","","","","10.1039/b501520k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100451","17.378","0.0005","12.705","0.0004","25.555","0.0007","90","","104.582","0.001","90","","5460.5","0.3","100","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H58 Cl N P2 Pt -","- C66 H58 Cl N P2 Pt -","- C264 H232 Cl4 N4 P8 Pt4 -","4","1","","Lan-Chang Liang; Wei-Ying Lee; Jia-Ming Lin","Benzene C-H Activation by Platinum(II) Complexes of Bis(2-diphenylphosphinophenyl)amide","Chemical Communications","2005","","","","","10.1039/b501520k","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100452","7.43","0.006","8.401","0.006","14.686","0.011","102.459","0.011","91.078","0.011","114.901","0.011","805.7","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cl4 N2 Pt -","- C12 H16 Cl4 N2 Pt -","- C24 H32 Cl8 N4 Pt2 -","2","1","","A. Orpen; Christopher J. Adams; Paul C. Crawford; Thomas J. Podesta; Benjamin Salt","Thermal solid state synthesis of coordination complexes from hydrogen bonded precursors.","Chemical Communications","2005","","","","","10.1039/b501555c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100453","10.592","0.003","11.311","0.003","7.4277","0.0017","90","","112.81","0.02","90","","820.3","0.4","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Cl4 N2 Pd -","- C12 H16 Cl4 N2 Pd -","- C24 H32 Cl8 N4 Pd2 -","2","0.25","","A. Orpen; Christopher J. Adams; Paul C. Crawford; Thomas J. Podesta; Benjamin Salt","Thermal solid state synthesis of coordination complexes from hydrogen bonded precursors.","Chemical Communications","2005","","","","","10.1039/b501555c","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100454","9.5223","0.0019","16.206","0.003","9.6271","0.0019","90","","102.73","0.03","90","","1449.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cl3 N2 Pt -","- C12 H15 Cl3 N2 Pt -","- C48 H60 Cl12 N8 Pt4 -","4","1","","A. Orpen; Christopher J. Adams; Paul C. Crawford; Thomas J. Podesta; Benjamin Salt","Thermal solid state synthesis of coordination complexes from hydrogen bonded precursors.","Chemical Communications","2005","","","","","10.1039/b501555c","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100455","10.461","0.002","3.9775","0.0008","15.911","0.003","90","","98.73","0.03","90","","654.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl2 N2 Pd -","- C12 H14 Cl2 N2 Pd -","- C24 H28 Cl4 N4 Pd2 -","2","0.5","","A. Orpen; Christopher J. Adams; Paul C. Crawford; Thomas J. Podesta; Benjamin Salt","Thermal solid state synthesis of coordination complexes from hydrogen bonded precursors.","Chemical Communications","2005","","","","","10.1039/b501555c","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100456","20.2834","0.0012","8.1769","0.0005","12.8766","0.0007","90","","128.648","0.001","90","","1667.94","0.17","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H36 Cl2 Cu N4 O7 -","- C32 H36 Cl2 Cu N4 O7 -","- C64 H72 Cl4 Cu2 N8 O14 -","2","0.5","","Samudranil Pal; Vamsee Krishna Muppidi; Panthappally S. Zacharias","Enantio-specific inclusion of chiral 1,2-dichloroethane rotamers in the crystal lattice of chiral square-pyramidal Cu(II) complexes with perfectly polar alignment of guest and host molecules","Chemical Communications","2005","","","","","10.1039/b501642h","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100457","20.1329","0.0017","8.0328","0.0006","12.7987","0.0013","90","","128.29","0.002","90","","1624.6","0.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H36 Cl2 Cu N4 O7 -","- C32 H36 Cl2 Cu N4 O7 -","- C64 H72 Cl4 Cu2 N8 O14 -","2","0.5","","Samudranil Pal; Vamsee Krishna Muppidi; Panthappally S. Zacharias","Enantio-specific inclusion of chiral 1,2-dichloroethane rotamers in the crystal lattice of chiral square-pyramidal Cu(II) complexes with perfectly polar alignment of guest and host molecules","Chemical Communications","2005","","","","","10.1039/b501642h","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100458","6.501","0.001","16.249","0.002","10.146","0.002","90","","99.7","0.01","90","","1056.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 B2 O4 -","- C22 H30 B2 O4 -","- C44 H60 B4 O8 -","2","0.5","","Todd Marder; Andrei S. Batsanov; David N. Coventry; Andres Eduardo Goeta; Judith A.K. Howard; Robin N Perutz","Selective Ir-Catalysed Borylation of Polycyclic Aromatic Hydrocarbons: Structures of Naphthalene-2,6-bis(boronate), Pyrene-2,7-bis(boronate) and Perylene-2,5,8,11-tetra(boronate) esters","Chemical Communications","2005","","","","","10.1039/b501778e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180106","2020-10-21","18:00:00",""
"7100459","6.7931","0.0005","17.79","0.002","20.368","0.002","90","","90","","90","","2461.5","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 B2 O4 -","- C28 H32 B2 O4 -","- C112 H128 B8 O16 -","4","1","","Todd Marder; Andrei S. Batsanov; David N. Coventry; Andres Eduardo Goeta; Judith A.K. Howard; Robin N Perutz","Selective Ir-Catalysed Borylation of Polycyclic Aromatic Hydrocarbons: Structures of Naphthalene-2,6-bis(boronate), Pyrene-2,7-bis(boronate) and Perylene-2,5,8,11-tetra(boronate) esters","Chemical Communications","2005","","","","","10.1039/b501778e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100460","6.6669","0.0005","12.519","0.001","14.791","0.001","103.68","0.01","99.11","0.01","96.5","0.01","1169.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 B4 Cl4 O8 -","- C46 H60 B4 Cl4 O8 -","- C46 H60 B4 Cl4 O8 -","1","0.5","","Todd Marder; Andrei S. Batsanov; David N. Coventry; Andres Eduardo Goeta; Judith A.K. Howard; Robin N Perutz","Selective Ir-Catalysed Borylation of Polycyclic Aromatic Hydrocarbons: Structures of Naphthalene-2,6-bis(boronate), Pyrene-2,7-bis(boronate) and Perylene-2,5,8,11-tetra(boronate) esters","Chemical Communications","2005","","","","","10.1039/b501778e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100461","9.1226","0.0012","13.64","0.002","15.435","0.002","71.272","0.004","76.201","0.006","81.735","0.004","1761.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H45 Cl2 N7 O6 -","- C35 H45 Cl2 N7 O6 -","- C70 H90 Cl4 N14 O12 -","2","1","","Graeme Cooke; Alan S. F. Boyd; Josepth B. Carroll; James F Garety; B.J.Jordan; Suhil Mabruk; Georgina Rosair; V.M. Rotello","Model systems for flavoenzyme activity: anelectrochemically tuneable intramolecularly hydrogen bonded flavin-diamidopyridine complex","Chemical Communications","2005","","","","","10.1039/b501887k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100462","5.231","0.001","9.857","0.001","10.517","0.001","74.67","0.05","76.63","0.05","85.42","0.05","508.71","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C20 H28 N4 O8 -","2","1","","Qing-Zheng Yang.; Olivier Siri; Pierre Braunstein","First Transamination Reactions for the One-Pot Synthesis of Substituted Zwitterionic Quinones","Chemical Communications","2005","","","","","10.1039/b501926e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100463","12.309","0.005","17.06","0.005","15.059","0.005","90","","96.02","0.05","90","","3144.8","1.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 N8 O4 Zn -","- C28 H46 N8 O4 Zn -","- C112 H184 N32 O16 Zn4 -","4","1","","Qing-Zheng Yang.; Olivier Siri; Pierre Braunstein","First Transamination Reactions for the One-Pot Synthesis of Substituted Zwitterionic Quinones","Chemical Communications","2005","","","","","10.1039/b501926e","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100464","25.7202","0.0005","25.7202","0.0005","25.7202","0.0005","90","","90","","90","","17014.6","0.6","213","2","273","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C96 H53 Co6 N12 O26.5 -","- C96 H48 Co6 N12 O26.56 -","- C768 H384 Co48 N96 O212.48 -","8","0.0833333","","Hong-Cai Zhou.; Yanxiong Ke.; Shengqian Ma.; Tracy M. Petersen; Daofeng Sun","Syntheses, characterization, and photoluminescence of isostructural Mn, Co, and Zn MOFs having a diamondoid structure with large tetrahedral cages and high thermal stability","Chemical Communications","2005","","","","","10.1039/b502007g","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100465","25.764","0.006","25.764","0.006","25.764","0.006","90","","90","","90","","17102","7","213","2","293","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C96 H55 Mn6 N12 O27.5 -","- C96 H48 Mn6 N12 O27.5 -","- C768 H384 Mn48 N96 O220 -","8","0.0833333","","Hong-Cai Zhou.; Yanxiong Ke.; Shengqian Ma.; Tracy M. Petersen; Daofeng Sun","Syntheses, characterization, and photoluminescence of isostructural Mn, Co, and Zn MOFs having a diamondoid structure with large tetrahedral cages and high thermal stability","Chemical Communications","2005","","","","","10.1039/b502007g","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100466","25.6887","0.0003","25.6887","0.0003","25.6887","0.0003","90","","90","","90","","16952.2","0.3","213","2","293","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C96 H54 N12 O27 Zn6 -","- C96 H48 N12 O27 Zn6 -","- C768 H384 N96 O216 Zn48 -","8","0.0833333","","Hong-Cai Zhou.; Yanxiong Ke.; Shengqian Ma.; Tracy M. Petersen; Daofeng Sun","Syntheses, characterization, and photoluminescence of isostructural Mn, Co, and Zn MOFs having a diamondoid structure with large tetrahedral cages and high thermal stability","Chemical Communications","2005","","","","","10.1039/b502007g","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100467","29.41","0.003","17.1574","0.0019","31.21","0.004","90","","108.879","0.003","90","","14902","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C89.5 H80 N4 O12 -","- C89.5 H80 N4 O12 -","- C716 H640 N32 O96 -","8","1","","Hennrich, Gunther; Murillo, Teresa; Pados, Pilar; Kai, Song; Asselberghs, Inge; Clays, Koen; Persoons, Andre; Benet-Buchholz, Jordi; de Mendoza, Javier","Tetraalkynyl calix[4]arenes with advanced NLO properties","Chemical Communications","2005","","","","","10.1039/b502045j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100468","8.8668","0.0012","8.7122","0.0012","19.668","0.003","90","","94.189","0.003","90","","1515.3","0.4","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Wenhao Hu; Zhi Yong Chen; Hui Liu; Chong Dao Lu; Ai-Qiao Mi","Rhodium Catalyzed Three-Component Reaction of Diazoacetates, Titanium(IV) Alkoxides and Aldehydes","Chemical Communications","2005","","","","","10.1039/b502093j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100469","13.289","0.002","8.1727","0.0012","16.588","0.003","90","","91.999","0.003","90","","1800.4","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C76 H84 N4 O24 -","4","1","","Wenhao Hu; Zhi Yong Chen; Hui Liu; Chong Dao Lu; Ai-Qiao Mi","Rhodium Catalyzed Three-Component Reaction of Diazoacetates, Titanium(IV) Alkoxides and Aldehydes","Chemical Communications","2005","","","","","10.1039/b502093j","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100470","10.8391","0.0002","14.8658","0.0002","11.5981","0.0002","90","","99.432","0.001","90","","1843.56","0.05","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H27 N3 O5 Os -","- C15 H27 N3 O5 Os -","- C60 H108 N12 O20 Os4 -","4","2","","Wenhao Hu; Zhi Yong Chen; Hui Liu; Chong Dao Lu; Ai-Qiao Mi","Rhodium Catalyzed Three-Component Reaction of Diazoacetates, Titanium(IV) Alkoxides and Aldehydes","Chemical Communications","2005","","","","","10.1039/b502150b","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100471","8.2679","0.0001","11.0675","0.0001","22.2477","0.0002","84.927","0.001","83.749","0.001","88.385","0.001","2015.39","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 I N O3 -","- C10 H6 I N O3 -","- C80 H48 I8 N8 O24 -","8","4","","Wenhao Hu; Zhi Yong Chen; Hui Liu; Chong Dao Lu; Ai-Qiao Mi","Rhodium Catalyzed Three-Component Reaction of Diazoacetates, Titanium(IV) Alkoxides and Aldehydes","Chemical Communications","2005","","","","","10.1039/b502324f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100472","10.4732","0.0013","13.5673","0.0017","12.5002","0.0016","90","","93.264","0.002","90","","1773.3","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 B Cl3 N2 -","- C16 H18 B Cl3 N2 -","- C64 H72 B4 Cl12 N8 -","4","1","","I. Ghesner; W.E. Piers; M. Parvez; R. McDonald","Cyclic boronium and borenium cations derived from borabenzene-pyridine complexes.","Chemical Communications","2005","","","","","10.1039/b502448j","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100473","6.967","0.003","11.28","0.006","13.635","0.007","90","","90","","90","","1071.5","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 B Cl N -","- C11 H13 B Cl N -","- C44 H52 B4 Cl4 N4 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b502448j","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100474","7.5729","0.0005","5.4503","0.0004","13.4175","0.0009","90","","94.077","0.002","90","","552.4","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-(4-methoxyphenoxy)aniline","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100475","11.2437","0.0017","5.3306","0.0008","17.601","0.003","90","","94.891","0.013","90","","1051.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-(4-nitrophenoxy)-phenol","","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100476","12.3992","0.0003","7.4839","0.0002","12.2812","0.0003","90","","101.431","0.001","90","","1117.02","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(4-methoxyphenoxy)-4-nitrobenzene","","","- C13 H11 N O4 -","- C13 H11 N O4 -","- C52 H44 N4 O16 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100477","9.547","0.014","28.28","0.04","10.08","0.014","90","","117.06","0.02","90","","2424","6","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Iodo-4'-nitrodiphenyl ether","","","- C12 H8 I N O3 -","- C12 H8 I N O3 -","- C96 H64 I8 N8 O24 -","8","2","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100478","10.06","0.0006","7.2712","0.0005","15.639","0.001","90","","97.458","0.001","90","","1134.29","0.13","243","2","243","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4-Chloro-4'-nitrodiphenyl ether","","","- C12 H8 Cl N O3 -","- C12 H8 Cl N O3 -","- C48 H32 Cl4 N4 O12 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100479","9.1199","0.0009","27.782","0.003","9.8887","0.0009","90","","116.745","0.001","90","","2237.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-Bromo-4-(4-nitrophenoxy)benzene","","","- C24 H16 Br2 N2 O6 -","- C24 H16 Br2 N2 O6 -","- C96 H64 Br8 N8 O24 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100480","14.866","0.002","8.8944","0.0014","19.496","0.003","90","","111.771","0.002","90","","2393.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Ethynyl-4'-nitrodiphenyl ether","","","- C14 H9 N O3 -","- C14 H9 N O3 -","- C112 H72 N8 O24 -","8","2","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100481","5.325","0.004","7.96","0.005","28.285","0.019","90","","90","","90","","1198.8","1.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-(4-Iodophenoxy)benzonitrile","","","- C13 H8 I N O -","- C13 H8 I N O -","- C52 H32 I4 N4 O4 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100482","12.3125","0.0017","7.3792","0.001","11.8045","0.0017","90","","98.385","0.002","90","","1061","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-(4-Iodophenoxy)benzonitrile","","","- C13 H8 Cl N O -","- C13 H8 Cl N O -","- C52 H32 Cl4 N4 O4 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180106","2020-10-21","18:00:00",""
"7100483","15.5731","0.0011","21.7581","0.0016","18.1368","0.0013","90","","111.57","0.001","90","","5715.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-(4-Ethynylphenoxy)benzonitrile","","","- C15 H9 N O -","- C15 H9 N O -","- C300 H180 N20 O20 -","20","5","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100484","12.3919","0.0018","7.3765","0.0011","11.9824","0.0018","90","","98.842","0.002","90","","1082.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-(4-Bromophenoxy)benzonitrile","","","- C13 H8 Br N O -","- C12.99 H8 Br N O -","- C51.96 H32 Br4 N4 O4 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180106","2020-10-21","18:00:00",""
"7100485","5.834","0.0009","28.698","0.004","7.6833","0.0012","90","","90.208","0.002","90","","1286.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Aniline, N,N-dimethyl-p-(p-nitrophenoxy)","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100486","12.4081","0.0017","9.2706","0.0017","9.8031","0.0013","90","","94.614","0.002","90","","1124","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,4'-Dinitrodiphenyl ether","","","- C12 H8 N2 O5 -","- C12 H8 N2 O5 -","- C48 H32 N8 O20 -","4","0.5","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100487","7.61","0.0011","8.8817","0.0013","16.41","0.002","90","","94.682","0.002","90","","1105.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-methyl-4'-nitrodiphenylether","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C52 H44 N4 O12 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100488","5.86","0.0011","7.8153","0.0015","23.13","0.004","90","","90","","90","","1059.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(4-Methylphenoxy)aniline","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100489","13.374","0.003","7.2793","0.0016","11.782","0.003","90","","104.415","0.002","90","","1110.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4'-Cyano-4-nitrodiphenylether","","","- C13 H8 N2 O3 -","- C13 H8 N2 O3 -","- C52 H32 N8 O12 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100490","12.5909","0.0018","7.4306","0.0011","11.8337","0.0017","90","","96.601","0.002","90","","1099.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-Dicyanodiphenyl ether","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C56 H32 N8 O4 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100491","12.5167","0.0019","6.7036","0.001","13.68","0.002","90","","92.477","0.002","90","","1146.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(4-Methylphenoxy)benzonitrile","","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100492","12.319","0.002","7.9156","0.0014","12.276","0.002","90","","106.166","0.002","90","","1149.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(4-Methoxyphenoxy)benzonitrile","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100493","6.7833","0.0014","8.9802","0.0018","17.306","0.004","87.76","0.03","88.25","0.03","88.88","0.03","1052.7","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4-Nitrodiphenyl ether","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","2","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100494","9.0473","0.0017","17.419","0.003","7.956","0.0015","90","","94.488","0.004","90","","1250","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(4-aminophenoxy)-N,N-dimethyl benzenamine","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C56 H64 N8 O4 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100495","7.4742","0.0011","5.9733","0.0008","53.194","0.007","90","","90","","90","","2374.9","0.6","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4-(4-Methoxyphenoxy)benzoic acid","","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100496","18.654","0.004","13.836","0.003","9.885","0.002","90","","98.084","0.003","90","","2525.9","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N,N-dimethyl-p-(p-hydroxyphenoxy) aniline","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100497","11.6484","0.0019","5.6103","0.001","16.746","0.003","90","","100.581","0.003","90","","1075.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Amino-4'-cyanodiphenyl ether","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100498","28.046","0.005","7.5638","0.0014","6.3222","0.0012","90","","96.738","0.002","90","","1331.9","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","4-(4-methoxyphenoxy)-N,N-dimethyl-aniline","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100499","6.137","0.002","7.451","0.002","34.981","0.012","90","","90","","90","","1599.5","0.9","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100500","27.516","0.012","14.904","0.007","5.724","0.003","90","","90","","90","","2347.4","1.8","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4,4'dicarboxylicdiphenyl ether","","","- C14 H10 O5 -","- C14 H10 O5 -","- C112 H80 O40 -","8","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100501","10.4301","0.0013","23.494","0.003","6.0885","0.0007","90","","90","","90","","1491.9","0.3","86","2","86","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- C8 H14 N18 -","- C8 H14 N18 -","- C32 H56 N72 -","4","0.25","","J. M. Shreeve; Brendan Twamley; Ji-Chang Xiao.; Chengfeng Ye.","Energetic salts of azotetrazolate, iminobis(5-tetrazolate) and 5, 5'-bis(tetrazolate)","Chemical Communications","2005","","","","","10.1039/b502583d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7100502","20.792","0.003","24.707","0.003","25.188","0.003","63.913","0.002","84.532","0.002","81.473","0.002","11486","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.5 H80 N6 O6.5 S2 Zn -","- C64.5087 H58 N6 O6.842 S2 Zn -","- C387.052 H348 N36 O41.052 S12 Zn6 -","6","3","","H. L. Anderson; W. Clegg; Paul Fleitz; Kiet A. Nguyen; Ruth Pachter; Joy E. Rogers; M.J. Smith","Synthesis and crystal structure of a push-pull quinoidal porphyrin: a nanoporous framework assembled from cyclic trimer aggregates","Chemical Communications","2005","","","","","10.1039/b502776d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100503","7.307","0.001","8.038","0.001","12.305","0.001","96.35","0.01","101.85","0.01","112.68","0.01","638.04","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","4-phenylethynyl-6-methyl-α-pyrone","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C32 H30 N2 O4 -","2","1","","Collings, Jonathan C.; Parsons, Alexander C.; Porres, Laurent; Beeby, Andrew; Batsanov, Andrei S.; Howard, Judith A. K.; Lydon, Donocadh P.; Low, Paul J.; Fairlamb, Ian J. S.; Marder, Todd B.","Optical Propeties of Donor-Acceptor Phenylene-Ethynylene Systems Containing the 6-Methylpyran-2-one Group as an Acceptor","Chemical Communications","2005","","","","","10.1039/b502781k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100504","10.19","0.008","11.219","0.003","11.646","0.002","90","","100.37","0.03","90","","1309.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H15 I N2 O Pd -","- C11 H15 I N2 O Pd -","- C44 H60 I4 N8 O4 Pd4 -","4","1","","Daniel Sole; Merce Font-Bardia; Xavier Solans; Lluis Vallverdu","Synthesis of novel palladium OCN-pincer complexes: Unprecedented sequential C(sp3)-H activation and aerobic oxidation in the reaction of N,N-dialkyl-3-[(N,N-dimethylamino)methyl]-2-iodoanilines with Pd2(dba)3","Chemical Communications","2005","","","","","10.1039/b502854j","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100505","15.2563","0.0012","28.288","0.002","23.5937","0.0018","90","","90","","90","","10182.2","1.4","293","2","293","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C34 H24 Cu2 N2 O10 -","- C34 H20 Cu2 N2 O10 -","- C136 H80 Cu8 N8 O40 -","4","0.25","","Hong-Cai Zhou.; Yanxiong Ke.; Betty A. Ooro; Tracy M. Peterson; Daofeng Sun.","Temperature-dependent supramolecular stereoisomerism in porous copper coordination networks based on a designed carboxylate ligand","Chemical Communications","2005","","","","","10.1039/b505664k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100506","23.712","0.004","27.877","0.004","15.376","0.002","90","","90","","90","","10164","3","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C34 H24 Cu2 N2 O10 -","- C34 H20 Cu2 N2 O10 -","- C136 H80 Cu8 N8 O40 -","4","0.25","","Hong-Cai Zhou.; Yanxiong Ke.; Betty A. Ooro; Tracy M. Peterson; Daofeng Sun.","Temperature-dependent supramolecular stereoisomerism in porous copper coordination networks based on a designed carboxylate ligand","Chemical Communications","2005","","","","","10.1039/b505664k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100507","32.404","0.002","32.404","0.002","8.9496","0.0004","90","","90","","120","","8138.3","0.8","100","1","100","1","","","","","","","","2","R -3 :H","-R 3","148","","","","- C27 H20 -","- C27 H20 -","- C486 H360 -","18","1","","Ben Feringa; Auke Meetsma; Javier Vicario","Controlling the speed of rotation in molecular motors. Dramatic acceleration of the rotary motion by structural modification","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100508","22.183","0.007","6.6592","0.0012","22.362","0.006","90","","92.17","0.02","90","","3300.9","1.4","223","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","9-(9-Phenanthryl)tetracyclo(3.3.2.0(6,8).0(4,10))dec-2-en","","","- C24 H20 -","- C48 H40 -","- C192 H160 -","4","0.5","","Joerg Storsberg; Min-Liang Yao; Nueket Oecal; A.de Meijere; Arnold E.W. Adam; D.E.Kaufmann","Palladium-catalyzed, stereoselective rearrangement of a tetracyclic allyl cyclopropane under arylation","Chemical Communications","2005","","","","","10.1039/b507732j","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100509","12.147","0.011","12.263","0.011","16.624","0.016","88.05","0.04","71.97","0.04","89.15","0.04","2353","4","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H37 B2 F14 N12 P Pd Ru -","- C37 H37 B2 F14 N12 P Pd Ru -","- C74 H74 B4 F28 N24 P2 Pd2 Ru2 -","2","1","","Akiko Inagaki; Munetaka Akita; Shinichi Edure; Shinichi Yatsuda","Highly Selective Photo-catalytic Dimerization of alpha-Methylstyrene by Novel Palladium Complex with Photosensitizing Ruthenium(II) Polypyridyl Moiety","Chemical Communications","2005","","","","","10.1039/b508013d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100510","12.0707","0.001","9.0298","0.001","12.447","0.001","90","","95.857","0.01","90","","1349.6","0.2","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl4 N2 Ta2 -","- C22 H34 Cl4 N2 Ta2 -","- C44 H68 Cl8 N4 Ta4 -","2","0.5","","Lee, Ting-Yu; Wooten, Alfred J.; Luci, Jeffery J.; Swenson, Dale C.; Messerle, Louis","Four-electron reduction of dinitrogen during solution disproportion-ation of the organodimetallic (n-C5Me4R)2Ta2(μ-Cl)4 (R = Me, Et) to a new μ-n1,n1-N2 complex and odd electron organotrimetallic cluster","Chemical Communications","2005","","","","","10.1039/b508148c","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100511","19.223","0.004","21.597","0.004","12.671","0.003","90","","90","","90","","5260.5","1.9","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H68 Cl10 Ta4 -","- C44 H68 Cl10 Ta4 -","- C176 H272 Cl40 Ta16 -","4","1","","Lee, Ting-Yu; Wooten, Alfred J.; Luci, Jeffery J.; Swenson, Dale C.; Messerle, Louis","Four-electron reduction of dinitrogen during solution disproportion-ation of the organodimetallic (n-C5Me4R)2Ta2(μ-Cl)4 (R = Me, Et) to a new μ-n1,n1-N2 complex and odd electron organotrimetallic cluster","Chemical Communications","2005","","","","","10.1039/b508148c","","","","","","","0.0259","","","0.0602","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100512","5.9565","0.0004","7.3716","0.0005","13.1769","0.0009","102.925","0.001","101.637","0.001","90.785","0.001","551.28","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H22 Er2 O23 -","- C12 H22 Er2 O23 -","- C12 H22 Er2 O23 -","1","1","","Ian Williams; John A. Cha; Stephen S.-Y. Chui; Andy L.-F. Leung; Herman H. Y. Sung; Samadara Thushari; Yu-Fong Yen.","Microporous chiral metal coordination polymers: hydrothermal synthesis, channel engineering and thermal stability of lanthanide tartrates","Chemical Communications","2005","","","","","10.1039/b508574h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100513","7.5802","0.0006","28.044","0.002","6.1008","0.0005","90","","90","","90","","1296.9","0.18","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H27 O23.5 Pr2 -","- C12 H16 O23.5 Pr2 -","- C24 H32 O47 Pr4 -","2","0.5","","Ian Williams; John A. Cha; Stephen S.-Y. Chui; Andy L.-F. Leung; Herman H. Y. Sung; Samadara Thushari; Yu-Fong Yen.","Microporous chiral metal coordination polymers: hydrothermal synthesis, channel engineering and thermal stability of lanthanide tartrates","Chemical Communications","2005","","","","","10.1039/b508574h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100514","12.3605","0.0019","14.081","0.002","10.4021","0.0015","90","","90","","90","","1810.4","0.5","223","2","223","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C12 H16 Er2 O20 -","- C12 H16 Er2 O20 -","- C48 H64 Er8 O80 -","4","0.5","","Ian Williams; John A. Cha; Stephen S.-Y. Chui; Andy L.-F. Leung; Herman H. Y. Sung; Samadara Thushari; Yu-Fong Yen.","Microporous chiral metal coordination polymers: hydrothermal synthesis, channel engineering and thermal stability of lanthanide tartrates","Chemical Communications","2005","","","","","10.1039/b508574h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100515","8.203","0.007","21.613","0.017","30.49","0.03","90","","90","","90","","5406","8","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis(chloro(pentamethylcyclopentadienyl)-(methyl-4,6-O-beta- naphthyl-2-methyliden-beta-D-glucopyranosidato)titan)","","","- C55 H70 Cl2 O12 Ti2 -","- C55 H70 Cl2 O12 Ti2 -","- C220 H280 Cl8 O48 Ti8 -","4","1","","J. Heck; D. Kuentzer; L. Jessen","Sugar Ligands in Organotitanium Complexes","Chemical Communications","2005","","","","","10.1039/b508851h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100516","14.8415","0.0009","25.3203","0.0016","8.0438","0.0005","90","","90","","90","","3022.8","0.3","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Bis(chloro(pentamethylcyclopentadienyl)-(methyl-4,6-O-beta- naphthyl-2-methyliden-beta-D-glucopyranosidato)titan)","","","- C58 H70 Cl6 O12 Ti2 -","- C58 H70 Cl6 O12 Ti2 -","- C116 H140 Cl12 O24 Ti4 -","2","0.5","","","","Chemical Communications","2005","","","","","10.1039/b508851h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100517","10.139","0.001","16.795","0.002","18.882","0.003","90","","90","","90","","3215.3","0.7","298","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Co F12 N3 O6 P2 -","- C26 H29 Co F12 N3 O6 P2 -","- C104 H116 Co4 F48 N12 O24 P8 -","4","1","","Clotilde Policar; Francois Bellot; Renaud Hardre; Giorgio Pelosi; Michel Therisod","Superoxide Dismutase Activity of Cobalt(II) Complexes Based on a Sugar Plateform.","Chemical Communications","2005","","","","","10.1039/b508893c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100518","9.233","0.005","10.44","0.005","15.36","0.005","90","","90.166","0.005","90","","1480.6","1.2","298","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H25 Co F12 N3 O4 P2 -","- C24 H25 Co F12 N3 O4 P2 -","- C48 H50 Co2 F24 N6 O8 P4 -","2","1","","Clotilde Policar; Francois Bellot; Renaud Hardre; Giorgio Pelosi; Michel Therisod","Superoxide Dismutase Activity of Cobalt(II) Complexes Based on a Sugar Plateform.","Chemical Communications","2005","","","","","10.1039/b508893c","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100519","10.3635","0.0001","13.5024","0.0001","15.0589","0.0001","69.303","0.001","72.326","0.001","69.716","0.001","1809.19","0.03","125","2","125","2","","","","","","","","6","P -1","-P 1","2","Tetraselenium(2+) hexabismuthundekafluoro(7+) nonakishexafluoroarsenate(-) - sulfurdioxide dekasolvate","","","- As9 Bi6 F65 O20 S10 Se4 -","- As2.25 Bi1.5 F16.25 O5 S2.5 Se -","- As9 Bi6 F65 O20 S10 Se4 -","4","2","","Johannes Beck; Folker Steden","[Bi6F11]7+ - an unusual, highly charged bismuth fluoro complex in (Se4)[Bi6F11][AsF6]9 10 SO2","Chemical Communications","2005","","","","","10.1039/b508898d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100520","14.03","0.002","19.345","0.002","14.077","0.002","90","","118.43","0.01","90","","3359.9","0.8","198","2","198","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H54 Br4 Cl2 N2 Ni3 O16 -","- C61 H54 Br4 Cl2 N2 Ni3 O16 -","- C122 H108 Br8 Cl4 N4 Ni6 O32 -","2","1","","M. Albrecht; Sabrina Dehn; Roland Frohlich; Gerhard Raabe","Structural diversity in the assembly of enantiopure helicate type nickel(II) complexes with bis(?-diketonate) ligands","Chemical Communications","2005","","","","","10.1039/b509147k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7100521","15.133","0.003","15.339","0.003","18.436","0.004","112.6","0.03","103.94","0.03","92.58","0.03","3789","1.3","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H94.5 Cl2.5 N6 O20.5 -","- C75 H83.5 Cl2.5 N6 O20.5 -","- C150 H167 Cl5 N12 O41 -","2","1","","J.Rebek Junior; Edoardo Menozzi","Metal Directed Assembly of Ditopic Containers and their Complexes with Alkylammonium Salts","Chemical Communications","2005","","","","","10.1039/b509189f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100522","11.284","0.002","26.028","0.005","28.804","0.006","90","","92.98","0.03","90","","8448","3","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H94 N8 O18 -","- C93 H91 N8 O18 -","- C372 H364 N32 O72 -","4","1","","J.Rebek Junior; Edoardo Menozzi","Metal Directed Assembly of Ditopic Containers and their Complexes with Alkylammonium Salts","Chemical Communications","2005","","","","","10.1039/b509189f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7100523","9.661","0.003","15.095","0.002","17.904","0.004","90","","90","","90","","2610.8","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O2 P2 -","- C28 H30 N2 O2 P2 -","- C112 H120 N8 O8 P8 -","4","1","","K. C. Kumara Swamy; Manab Chakravarty; Praveen Kommana","Nonstoichiometry induced by differential oxygen/ lone pair occupation in chiral bicyclic 1,1'-binaphthoxy cyclodiphosphazanes","Chemical Communications","2005","","","","","10.1039/b509327a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100524","9.7123","0.0006","15.1885","0.0009","17.8209","0.001","90","","90","","90","","2628.9","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3.1 P2 -","- C28 H30 N2 O3.1 P2 -","- C112 H120 N8 O12.4 P8 -","4","1","","K. C. Kumara Swamy; Manab Chakravarty; Praveen Kommana","Nonstoichiometry induced by differential oxygen/ lone pair occupation in chiral bicyclic 1,1'-binaphthoxy cyclodiphosphazanes","Chemical Communications","2005","","","","","10.1039/b509327a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100525","9.7305","0.0014","15.256","0.002","17.737","0.003","90","","90","","90","","2633","0.7","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O4 P2 -","- C28 H30 N2 O4 P2 -","- C112 H120 N8 O16 P8 -","4","1","","K. C. Kumara Swamy; Manab Chakravarty; Praveen Kommana","Nonstoichiometry induced by differential oxygen/ lone pair occupation in chiral bicyclic 1,1'-binaphthoxy cyclodiphosphazanes","Chemical Communications","2005","","","","","10.1039/b509327a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100526","9.716","0.0008","15.1905","0.0012","17.8076","0.0014","90","","90","","90","","2628.2","0.4","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3.4 P2 -","- C28 H30 N2 O3.4 P2 -","- C112 H120 N8 O13.6 P8 -","4","1","","K. C. Kumara Swamy; Manab Chakravarty; Praveen Kommana","Nonstoichiometry induced by differential oxygen/ lone pair occupation in chiral bicyclic 1,1'-binaphthoxy cyclodiphosphazanes","Chemical Communications","2005","","","","","10.1039/b509327a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100527","22.838","0.003","9.59","0.003","23.901","0.005","90","","106.344","0.014","90","","5023","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 N4 O4.34 P4 -","- C56 H60 N4 O4.34 P4 -","- C224 H240 N16 O17.36 P16 -","4","1","","K. C. Kumara Swamy; Manab Chakravarty; Praveen Kommana","Nonstoichiometry induced by differential oxygen/ lone pair occupation in chiral bicyclic 1,1'-binaphthoxy cyclodiphosphazanes","Chemical Communications","2005","","","","","10.1039/b509327a","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100528","13.1879","0.0002","13.1879","0.0002","5.9291","0.0001","90","","90","","120","","893.04","0.02","293","2","293","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Gd N3 O15 -","- C21 H9 Co Gd N3 O15 -","- C21 H9 Co Gd N3 O15 -","1","0.333333","","Srinivasan Natarajan; Giridhar Madras; Partha Mahata; Gopinathan Sankar","A Porous Sheet 4f-3d Mixed-Metal Pyridine Dicarboxylate: Synthesis, Structure, Photophysical Properties and its Transformation to a Perovskite Oxide","Chemical Communications","2005","","","","","10.1039/b509588c","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100529","17.582","0.005","8.335","0.002","18.61","0.007","90","","92.61","0.03","90","","2724.4","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Cd(tta)2tmed","","","- C22 H24 Cd F6 N2 O4 S2 -","- C22 H24 Cd F6 N2 O4 S2 -","- C88 H96 Cd4 F24 N8 O16 S8 -","4","1","","Srinivasan Natarajan; Giridhar Madras; Partha Mahata; Gopinathan Sankar","A Porous Sheet 4f-3d Mixed-Metal Pyridine Dicarboxylate: Synthesis, Structure, Photophysical Properties and its Transformation to a Perovskite Oxide","Chemical Communications","2005","","","","","10.1039/b509623e","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100530","10.325","0.005","13.531","0.005","9.72","0.005","90","","90","","90","","1358","1.1","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Bis(acetonitril)tetrachlorotechnetium(VI) Acetonitril solvate","","","- C6 H9 Cl4 N3 Tc -","- C6 H9 Cl4 N3 Tc -","- C24 H36 Cl16 N12 Tc4 -","4","0.5","","Abram, U.; Yegen, E.; Hagenbach, A.","[TcCl4(H2O)2] and [Cl3(H2O)2TcOTc(H2O)2Cl3] ‒ Two Molecular Intermediates of the Hydrolysis of Technetium(IV)","Chemical Communications (Cambridge, United Kingdom)","2005","","44","5575","5577","10.1039/b509686c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210945","2020-10-21","18:00:00",""
"7100531","18.495","0.008","25.73","0.005","7.023","0.005","90","","90","","90","","3342","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","cis-Diaquatetrachlorotechnetium(IV) dioxane solvate","","","- C8 H20 Cl4 O6 Tc -","- C8 H20 Cl4 O6 Tc -","- C64 H160 Cl32 O48 Tc8 -","8","0.5","","Abram, U.; Yegen, E.; Hagenbach, A.","[TcCl4(H2O)2] and [Cl3(H2O)2TcOTc(H2O)2Cl3] ‒ Two Molecular Intermediates of the Hydrolysis of Technetium(IV)","Chemical Communications (Cambridge, United Kingdom)","2005","","44","5575","5577","10.1039/b509686c","","","","","","","","","","","","","","","","","","","","","has coordinates","210945","2020-10-21","18:00:00",""
"7100532","10.054","0.005","10.138","0.005","10.519","0.005","98.823","0.005","102.258","0.005","91.989","0.005","1032.8","0.9","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Tetraaquahexachloro(mu-oxo)ditechnetium(V) dioxane solvate","","","- C12 H28 Cl3 O8.5 Tc -","- C12 H28 Cl3 O8.5 Tc -","- C24 H56 Cl6 O17 Tc2 -","2","1","","Abram, U.; Yegen, E.; Hagenbach, A.","[TcCl4(H2O)2] and [Cl3(H2O)2TcOTc(H2O)2Cl3] ‒ Two Molecular Intermediates of the Hydrolysis of Technetium(IV)","Chemical Communications (Cambridge, United Kingdom)","2005","","44","5575","5577","10.1039/b509686c","","","","","","","","","","","","","","","","","","","","","has coordinates","210945","2020-10-21","18:00:00",""
"7100533","16.245","0.003","16.69","0.003","35.129","0.006","90","","93.09","0.003","90","","9510","3","182","2","182","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 Co K5.25 N2 O84 P2 W20 -","- C2 Co K5.25 N2 O84 P2 W20 -","- C8 Co4 K21 N8 O336 P8 W80 -","4","1","","M. Pope; Nebebech Belai","Chelated heteroatoms in polyoxometalates and the topological equivalence of {CoIII(en)} to Type II cis-dioxometal centers. Synthesis and structure of {Co(en)(?-OH)2Co(en)}{PW10O37Co(en)}2]8- and [K?{Co(en)WO4}{WO(H2O)}(PW9O34)2]12-","Chemical Communications","2005","","","","","10.1039/b509756h","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100534","11.696","0.002","12.685","0.002","20.359","0.004","103.378","0.003","90.628","0.003","96.552","0.003","2917.2","0.9","182","2","182","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 Co4 K2 N8 Na3 O96 P2 W20 -","- C8 Co4 K2 N8 Na3 O96 P2 W20 -","- C8 Co4 K2 N8 Na3 O96 P2 W20 -","1","0.5","","M. Pope; Nebebech Belai","Chelated heteroatoms in polyoxometalates and the topological equivalence of {CoIII(en)} to Type II cis-dioxometal centers. Synthesis and structure of {Co(en)(?-OH)2Co(en)}{PW10O37Co(en)}2]8- and [K?{Co(en)WO4}{WO(H2O)}(PW9O34)2]12-","Chemical Communications","2005","","","","","10.1039/b509756h","","","","","","","","","","","","","","","","","","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7100535","10.8387","0.0011","11.6113","0.0012","28.883","0.003","90","","99.01","0.002","90","","3590.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Cu3 N24 O16 -","- C72 H60 Cu3 N24 O16 -","- C144 H120 Cu6 N48 O32 -","2","0.5","","Miao Du; Xiu-Juan Jiang; Xiao-Jun Zhao","Direction of unusual mixed-ligand metal-organic frameworks: a new type of 3-D polythreading involving 1-D and 2-D structural motifs and a 2-fold interpenetrating porous network","Chemical Communications","2005","","","","","10.1039/b509875k","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100536","15.1571","0.0016","20.483","0.002","16.9026","0.0019","90","","96.107","0.001","90","","5217.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H44.5 Cd2 N13.5 O12.5 -","- C44.5 H42.5 Cd2 N13.5 O12.5 -","- C178 H170 Cd8 N54 O50 -","4","1","","Miao Du; Xiu-Juan Jiang; Xiao-Jun Zhao","Direction of unusual mixed-ligand metal-organic frameworks: a new type of 3-D polythreading involving 1-D and 2-D structural motifs and a 2-fold interpenetrating porous network","Chemical Communications","2005","","","","","10.1039/b509875k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100537","25.143","0.003","20.821","0.002","17.748","0.002","90","","114.174","0.002","90","","8476.6","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H45 N3 O15 Zn3 -","- C34 H12 N2 O14 Zn3 -","- C272 H96 N16 O112 Zn24 -","8","1","","M. Schroder; A. Blake; P. Hubberstey; Colleen A. Williams","A unique example of a 36 tessellated 2-D net based on a tri-nuclear zinc(II)-1,4-benzenedicarboxylate framework.","Chemical Communications","2005","","","","","10.1039/b509929c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7100538","8.9652","0.0009","14.3182","0.0014","19.089","0.0019","90","","101.134","0.005","90","","2404.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 S2 -","- C26 H22 N2 O4 S2 -","- C104 H88 N8 O16 S8 -","4","1","","T. Friscic; L.R. MacGillivray","Reversing the code of a template-directed solid-state synthesis: a bipyridine template that directs a single-crystal-to-single-crystal [2+2] photodimerisation of a dicarboxylic acid","Chemical Communications","2005","","","","","10.1039/b510081j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100539","9.0079","0.001","14.0545","0.0015","18.9564","0.0019","90","","101.564","0.005","90","","2351.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 S2 -","- C26 H22 N2 O4 S2 -","- C104 H88 N8 O16 S8 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b510081j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7100540","9.4183","0.0009","10.0041","0.001","11.1304","0.0011","98.066","0.005","100.857","0.005","112.583","0.005","924.46","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 S2 -","- C22 H18 N2 S2 -","- C44 H36 N4 S4 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b510081j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100541","17.832","0.003","17.832","0.003","16.876","0.003","90","","90","","90","","5366.5","1.5","293","2","293","2","","","","","","","","4","I -4","I -4","82","","","","- C28 H21 Cu2 O12.5 -","- C28 H21 Cu2 O12.5 -","- C224 H168 Cu16 O100 -","8","1","","Enbo Wang; Yangguang Li; Chao Qin; Zhongmin Su; Xin-long Wang","An unprecedented fivefold interpenetrated lvt network containing the exceptional racemic motifs originated from nine interwoven helices","Chemical Communications","2005","","","","","10.1039/b510089e","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100542","31.1325","0.0006","8.5333","0.0002","22.961","0.0004","90","","90","","90","","6099.9","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H31 N12 O2.5 S1.5 -","- C31 H31 N12 O2.5 S1.5 -","- C248 H248 N96 O20 S12 -","8","1","","Louis Cuccia; Todd C. Sutherland; Liyan Xing; Ulrich Ziener","Hydrogen Bond Directed Synthesis of Pyridazine and Naphthyridine Containing Macrocycles","Chemical Communications","2005","","","","","10.1039/b510118b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277870","2022-09-15","11:09:06",""
"7100543","20.888","0.004","20.888","0.004","8.774","0.004","90","","90","","120","","3315.2","1.7","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C21.33 H28.33 Cl N6 O2 -","- C21.3333 H28.3333 Cl N6 O2 -","- C128 H170 Cl6 N36 O12 -","6","1","","Louis Cuccia; Todd C. Sutherland; Liyan Xing; Ulrich Ziener","Hydrogen Bond Directed Synthesis of Pyridazine and Naphthyridine Containing Macrocycles","Chemical Communications","2005","","","","","10.1039/b510118b","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100544","7.2501","0.0012","15.874","0.003","19.137","0.003","90","","100.558","0.002","90","","2165.2","0.6","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 N6 O3 -","- C21 H28 N6 O3 -","- C84 H112 N24 O12 -","4","1","","Louis Cuccia; Todd C. Sutherland; Liyan Xing; Ulrich Ziener","Hydrogen Bond Directed Synthesis of Pyridazine and Naphthyridine Containing Macrocycles","Chemical Communications","2005","","","","","10.1039/b510118b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7100545","15.914","0.006","15.932","0.005","24.166","0.009","100.88","0.03","92.11","0.03","97.96","0.03","5946","4","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H113.5 Na8.5 O112 Ru2 Sb2 W20 -","- C20 Na8.5 O112 Ru2 Sb2 W20 -","- C40 Na17 O224 Ru4 Sb4 W40 -","2","1","","Danielle Laurencin; Richard Villaneau; Patrick Herson; Rene Thouvenot; Yves Jeannin","A Novel Organometallic Heteropolytungstate Deriving from [Sb2W22O74(OH)2]12-:Synthesis and Structural Characterisation of the bis-{Ru(p-cymene)}2±containing Anion [Sb2W20O70{Ru(p-cymene)}2]10-","Chemical Communications","2005","","","","","10.1039/b510300b","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100546","12.643","0.015","15.39","0.008","19.218","0.01","83.49","0.05","82.73","0.09","79.63","0.06","3633","5","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- Fe8 K6 Na10 O148 P4 W28 -","- Fe8 K6 Na8 O148 P4 W28 -","- Fe8 K6 Na8 O148 P4 W28 -","1","0.5","","P. Gouzerh; Beatrice Godin; Patrick Herson; Laurent Ruhlmann; Jacqueline Vaissermann; Michel Verdaguer","Coordination chemistry of the hexavacant tungstophosphate [H2P2W12O48]12- : synthesis and characterization of iron(III) complexes derived from the unprecedented {P2W14O54} fragment","Chemical Communications","2005","","","","","10.1039/b510434c","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100547","17.741","0.003","18.021","0.003","24.052","0.006","90","","103.53","0.01","90","","7476","3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Fe8 H88 K12 O158 P4 W28 -","- Co2 Fe8 K12 O158 P4 W28 -","- Co4 Fe16 K24 O316 P8 W56 -","2","0.5","","","","Chemical Communications","2005","","","","","10.1039/b510434c","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100548","17.3594","0.0015","20.8703","0.0018","27.545","0.002","81.671","0.001","84.037","0.002","70.328","0.001","9281.7","1.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H149 Co10 N76 O32 S12 -","- C132 H122 Co10 N76 O32 S12 -","- C264 H244 Co20 N152 O64 S24 -","2","1","","L. Thompson; Tareque S. M. Abedin; David O. Miller","An Octanuclear [Co(II)2-Co(III)2]2 Interlocked Grid-Example of an Inorganic [2] Catenane","Chemical Communications","2005","","","","","10.1039/b510755e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100549","14.333","0.005","10.7","0.004","17.692","0.006","90","","91.002","0.005","90","","2712.8","1.6","193.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Cl4 N2 Pd -","- C27 H26 Cl4 N2 Pd -","- C108 H104 Cl16 N8 Pd4 -","4","1","","Koichi Mikami; Kohsuke Aikawa","Dual Chirality Control of Palladium(II) Complexes Bearing Tropos Biphenyl Diamine Ligands","Chemical Communications","2005","","","","","10.1039/b510910h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100550","8.376","0.003","14.977","0.006","22.767","0.009","90","","93.923","0.005","90","","2849.4","1.9","193.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 N2 Pd -","- C34 H28 Cl2 N2 Pd -","- C136 H112 Cl8 N8 Pd4 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b510910h","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100551","12.3252","0.0005","12.3252","0.0005","33.675","0.003","90","","90","","90","","5115.6","0.5","90","","90","","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","DB-DABP-Pt-DABNTf","","","- C25 H19 Cl1.5 F3 N2 O3 Pd0.5 S -","- C25 H19 Cl1.5 F3 N2 O3 Pd0.5 S -","- C200 H152 Cl12 F24 N16 O24 Pd4 S8 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b510910h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100552","14.8303","0.0008","16.3535","0.0008","20.0347","0.001","72.668","0.001","68.773","0.001","72.634","0.001","4223.3","0.4","100","2","373","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 Cl1.5 Co N9 -","- C49 H31 Cl3 Co N9 -","- C196 H124 Cl12 Co4 N36 -","4","2","","S.M. Cohen; D.L. Murphy; M.R. Malachowski; C.F. Campana","A Chiral, Heterometallic Metal-Organic Framework Derived from a Tris(Chelate) Coordination Complex","Chemical Communications","2005","","","","","10.1039/b510915a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100553","34.7494","0.0014","34.7494","0.0014","34.7494","0.0014","90","","90","","90","","41961","3","100","2","100","2","","","","","","","","8","F 4 3 2","F 4 2 3","209","","","","- C63.44 H44.44 Ag Co F3 N9 O3 S -","- C48 H30 Ag Co N9 -","- C1536 H960 Ag32 Co32 N288 -","32","0.333333","","S.M.Cohen; D.L.Murphy; M.R.Malachowski; C.F.Campana","A Chiral, Heterometallic Metal-Organic Framework Derived from a Tris(Chelate) Coordination Complex","Chemical Communications","2005","","","","","10.1039/b510915a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100554","6.667","0.001","8.5579","0.0012","10.1724","0.0015","94.486","0.003","106.524","0.003","100.679","0.003","541.48","0.14","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 N2 O5 W -","- C8 H6 N2 O5 W -","- C16 H12 N4 O10 W2 -","2","1","","Ekkehardt Hahn; Volker Langenhahn; Tania Pape","Template synthesis of tungsten complexes with saturated N-heterocyclic carbene ligands","Chemical Communications","2005","","","","","10.1039/b510996e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100555","11.181","0.005","10.629","0.005","13.731","0.006","90","","105.519","0.008","90","","1572.3","1.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O5 W -","- C14 H14 N2 O5 W -","- C56 H56 N8 O20 W4 -","4","1","","Ekkehardt Hahn; Volker Langenhahn; Tania Pape","Template synthesis of tungsten complexes with saturated N-heterocyclic carbene ligands","Chemical Communications","2005","","","","","10.1039/b510996e","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100556","37.418","0.005","6.561","0.005","15.964","0.005","90","","100.318","0.005","90","","3856","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 B Cl2 N2 -","- C19 H27 B Cl2 N2 -","- C152 H216 B8 Cl16 N16 -","8","1","","Nicholas J. Hill; Jennifer A. Moore; Michael Findlater; Alan H. Cowley","Isolation of an intermediate in the insertion of a carbodiimide into a boron-aryl bond","Chemical Communications","2005","","","","","10.1039/b511080g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100557","10.355","0.005","11.914","0.005","16.592","0.005","73.933","0.005","83.657","0.005","80.431","0.005","1935.1","1.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 B Cl2 N2 -","- C19 H27 B Cl2 N2 -","- C76 H108 B4 Cl8 N8 -","4","2","","","","Chemical Communications","2005","","","","","10.1039/b511080g","","","","","","","","","","","","","","","","","","","","","has coordinates","208161","2020-10-21","18:00:00",""
"7100558","9.7416","0.0013","9.9127","0.0014","13.653","0.0019","81.52","0.002","85.137","0.002","88.411","0.002","1299.1","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 N3 Ni O -","- C31 H29 N3 Ni O -","- C62 H58 N6 Ni2 O2 -","2","1","","Robert Waymouth; Benjamin E. Ketz; Xavier G. Ottenwaelder","Synthesis, Structure, and Olefin Polymerization with Nickel(II) N-Heterocyclic Carbene Enolates","Chemical Communications","2005","","","","","10.1039/b511202h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100559","12.5372","0.0007","11.5468","0.0006","28.4282","0.0015","90","","98.688","0.001","90","","4068.2","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 B2 O4 Si -","- C40 H64 B2 O4 Si -","- C160 H256 B8 O16 Si4 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b511208g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100560","43.826","0.004","5.2608","0.0005","14.096","0.0014","90","","90","","90","","3250","0.5","120","","120","","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C28 H26 Ag Cl3 N8 O5.74 -","- C28 H26 Ag Cl3 N8 O5.742 -","- C112 H104 Ag4 Cl12 N32 O22.968 -","4","1","","Jonathan Steed; Lucas Applegarth; Nigel Clark; Andres E. Goeta; Judith A.K. Howard; Andrew D.M. Parker; Ivana Radosavljevic-Evans; Christine Richardson","Modular Nanometer-Scale Structuring of Gel Fibres by Sequential Self-Organization","Chemical Communications","2005","","","","","10.1039/b511259a","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100561","9.338","0.0006","11.3324","0.0007","11.4099","0.0007","74.167","0.001","71.292","0.001","80.358","0.001","1095.99","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Co N14 O16 -","- C36 H56 Co N14 O16 -","- C36 H56 Co N14 O16 -","1","0.5","","Jonathan Steed; Lucas Applegarth; Nigel Clark; Andres E. Goeta; Judith A.K. Howard; Andrew D.M. Parker; Ivana Radosavljevic-Evans; Christine Richardson","Modular Nanometer-Scale Structuring of Gel Fibres by Sequential Self-Organization","Chemical Communications","2005","","","","","10.1039/b511259a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100562","18.1289","0.0012","11.6659","0.0008","17.7378","0.0012","90","","102.709","0.002","90","","3659.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H60 N5 Nd Si4 -","- C25 H60 N5 Nd Si4 -","- C100 H240 N20 Nd4 Si16 -","4","1","","Polly Arnold; Stephen T. Liddle","Regioselective C-H activation of lanthanide-bound N-heterocyclic carbenes","Chemical Communications","2005","","","","","10.1039/b511265f","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100563","11.28","0.002","14.204","0.003","14.632","0.003","63.675","0.003","70.505","0.003","74.06","0.003","1958.5","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H104 I2 N8 Nd2 Si6 -","- C44 H100 I2 N8 Nd2 Si6 -","- C44 H100 I2 N8 Nd2 Si6 -","1","0.5","","Polly Arnold; Stephen T. Liddle","Regioselective C-H activation of lanthanide-bound N-heterocyclic carbenes","Chemical Communications","2005","","","","","10.1039/b511265f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100564","10.91","0.001","12.3766","0.0011","17.1729","0.0016","108.306","0.002","97.81","0.002","104.318","0.002","2074.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H68 N5 Nd Si5 -","- C28 H68 N5 Nd Si5 -","- C56 H136 N10 Nd2 Si10 -","2","1","","Polly Arnold; Stephen T. Liddle","Regioselective C-H activation of lanthanide-bound N-heterocyclic carbenes","Chemical Communications","2005","","","","","10.1039/b511265f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100565","11.7912","0.0012","14.8947","0.0015","22.118","0.002","90","","95.838","0.002","90","","3864.4","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H116 Ce2 I2 N8 Si6 -","- C58 H116 Ce2 I2 N8 Si6 -","- C116 H232 Ce4 I4 N16 Si12 -","2","0.5","","Polly Arnold; Stephen T. Liddle","Regioselective C-H activation of lanthanide-bound N-heterocyclic carbenes","Chemical Communications","2005","","","","","10.1039/b511265f","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100566","11.2143","0.0006","15.5058","0.0009","22.3542","0.0013","90","","97.695","0.002","90","","3852.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H116 N14 Nd2 Si6 -","- C58 H116 N14 Nd2 Si6 -","- C116 H232 N28 Nd4 Si12 -","2","0.5","","Polly Arnold; Stephen T. Liddle","Regioselective C-H activation of lanthanide-bound N-heterocyclic carbenes","Chemical Communications","2005","","","","","10.1039/b511265f","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100567","27.042","0.013","48.74","0.02","8.026","0.003","90","","90","","90","","10579","8","233","2","233","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C25 H21 Cl2 Fe N4 O7 -","- C25 H21 Cl2 Fe N4 O7 -","- C400 H336 Cl32 Fe16 N64 O112 -","16","1","","Wonwoo Nam.; Mark B. Consugar; Kwan Mook Kim.; Jinheung Kim.; Mi Hee Lim.; Na Young Oh; Mi Joo Park; Q.Lawrence Junior; Jan-Uwe Rohde; Mi Sook Seo.","Self-hydroxylation of perbenzoic acids at a nonheme iron(II) center","Chemical Communications","2005","","","","","10.1039/b511302d","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100568","8.8438","0.0007","8.9335","0.0007","20.8095","0.0016","90","","90","","90","","1644.1","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Richard Hsung; Kevin P. Cole","Unique Structural Topology and Reactivities of the ABD Tricycle in Phomactin A.","Chemical Communications","2005","","","","","10.1039/b511338e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100569","13.826","0.001","10.4515","0.0009","11.916","0.001","90","","106.751","0.002","90","","1648.8","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","04119","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Richard Hsung; Kevin P. Cole","Unique Structural Topology and Reactivities of the ABD Tricycle in Phomactin A.","Chemical Communications","2005","","","","","10.1039/b511338e","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100570","12.143","0.002","6.2609","0.0012","18.975","0.004","90","","97.148","0.002","90","","1431.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Avinash Thadani; Bhartesh Dhudshia","Diastereoselective allylation and crotylation of N-unsubstituted imines derived from ketones","Chemical Communications","2005","","","","","10.1039/b511411j","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100571","20.478","0.002","8.647","0.001","9.235","0.001","90","","90","","90","","1635.3","0.3","100","","100","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","0.5","","Ebran, Jean-Philippe; Hazell, Rita G.; Skrydstrup, Troels","Samarium diiodide-induced intramolecular pinacol coupling of dinitrones: synthesis of cyclic cis-vicinal diamines","Chemical Communications (Cambridge, United Kingdom)","2005","","43","5402","5404","10.1039/b511491h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100572","12.149","0.0004","20.4254","0.0009","7.2291","0.0003","90","","90","","90","","1793.89","0.12","100","","100","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","0.5","","Ebran, Jean-Philippe; Hazell, Rita G.; Skrydstrup, Troels","Samarium diiodide-induced intramolecular pinacol coupling of dinitrones: synthesis of cyclic cis-vicinal diamines","Chemical Communications (Cambridge, United Kingdom)","2005","","43","5402","5404","10.1039/b511491h","","","","","","","","","","","","","","","","","","","","","has coordinates","210944","2020-10-21","18:00:00",""
"7100573","8.726","0.0017","10.837","0.002","19.885","0.004","89.6","0.03","84.65","0.03","75.25","0.03","1810.3","0.6","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H34 Cl4 N14 O16 Pt2 -","- C13 H28 Cl4 N14 O15.16 Pt2 -","- C26 H56 Cl8 N28 O30.32 Pt4 -","2","1","","M. Roitzsch; B. Lippert","Structural precursor of the hemideprotonated guanine pair","Chemical Communications","2005","","","","","10.1039/b511551e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100574","15.733","0.006","15.733","0.006","4.973","0.003","90","","90","","120","","1066","0.9","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","PhBPTSEt","","","- C13 H10 N3 S2 Se2 -","- C13 H10 N3 S2 Se2 -","- C39 H30 N9 S6 Se6 -","3","0.5","","Richard Oakley; Leanne Beer; Jaclyn L. Brusso; Robert C. Haddon; Mikhail E. Itkis; Robert W. Reed; J.F.Richardson; Richard Secco; Xueyang Yu.","The effect of selenium incorporation on the bandwidth and conductivity of neutral radical conductors","Chemical Communications","2005","","","","","10.1039/b511648a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","208251","2020-10-21","18:00:00",""
"7100575","14.0142","0.0012","16.499","0.0014","17.231","0.0014","79.981","0.001","85.986","0.001","85.137","0.001","3903.1","0.6","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H124 Al2 O4 Sm2 -","- C78 H124 Al2 O4 Sm2 -","- C156 H248 Al4 O8 Sm4 -","2","1","","William Evans; Joseph W. Ziller","A structural study of the Lewis acidity of aluminum versus samarium in a mixed alkyl carboxylate complex","Chemical Communications","2005","","","","","10.1039/b511714c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100576","57.945","0.013","6.0511","0.0013","15.465","0.003","90","","103.469","0.004","90","","5273","2","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tri-O-p-bromo-benzoyl-myo-inositol 1,3,5-orthoformate","","","- C28 H19 Br3 O9 -","- C28 H19 Br3 O9 -","- C224 H152 Br24 O72 -","8","1","","M. Bhadbhade; R.G. Gonnade; A.K. Sanki; M.S. Shashidhar","Concomitant Dimorphs of tri-O-[p-halobenzoyl]-myo-inositol 1,3,5-orthoformates with different halogen bonding contacts: first order crystal-to-crystal thermal phase transition of Kinetic form to the thermodynamic form","Chemical Communications","2005","","","","","10.1039/b511754b","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100577","10.002","0.002","12.126","0.002","13.146","0.003","70.536","0.003","80.1","0.003","68.503","0.003","1396.5","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","Tri-O-p-bromo-benzoyl-myo-inositol 1,3,5-orthoformate","","","- C28 H19 Br3 O9 -","- C28 H19 Br3 O9 -","- C56 H38 Br6 O18 -","2","1","","M. Bhadbhade; R.G. Gonnade; A.K. Sanki; M.S. Shashidhar","Concomitant Dimorphs of tri-O-[p-halobenzoyl]-myo-inositol 1,3,5-orthoformates with different halogen bonding contacts: first order crystal-to-crystal thermal phase transition of Kinetic form to the thermodynamic form","Chemical Communications","2005","","","","","10.1039/b511754b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100578","10.274","0.0017","11.2899","0.0018","12.717","0.002","75.582","0.003","86.976","0.003","68.503","0.003","1328","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","Tri-O-p-chloro-benzoyl-myo-inositol 1,3,5-orthoformate","","","- C28 H19 Cl3 O9 -","- C28 H19 Cl3 O9 -","- C56 H38 Cl6 O18 -","2","1","","M. Bhadbhade; R.G. Gonnade; A.K. Sanki; M.S. Shashidhar","Concomitant Dimorphs of tri-O-[p-halobenzoyl]-myo-inositol 1,3,5-orthoformates with different halogen bonding contacts: first order crystal-to-crystal thermal phase transition of Kinetic form to the thermodynamic form","Chemical Communications","2005","","","","","10.1039/b511754b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100579","10.3995","0.0012","13.5437","0.0015","14.6455","0.0017","66.289","0.002","76.241","0.002","87.576","0.002","1831.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Ag N10 O7 S0.5 -","- C30 H32 Ag N10 O7 S0.5 -","- C60 H64 Ag2 N20 O14 S -","2","1","","Radu Custelcean; Benjamin Hay; B.A. Moyer","A coordinatively saturated sulfate encapsulated in a metal-organic framework functionalized with urea hydrogen-bonding groups","Chemical Communications","2005","","","","","10.1039/b511809c","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100580","13.0827","0.0018","13.993","0.002","18.274","0.003","73.362","0.003","85.694","0.003","63.147","0.002","2853.9","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N10 O3 -","- C30 H29.5 N10 O3 -","- C120 H118 N40 O12 -","4","2","","Radu Custelcean; Benjamin Hay; B.A. Moyer","A coordinatively saturated sulfate encapsulated in a metal-organic framework functionalized with urea hydrogen-bonding groups","Chemical Communications","2005","","","","","10.1039/b511809c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100581","15.1393","0.0013","14.6259","0.0013","14.325","0.0013","90","","99.302","0.001","90","","3130.2","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetrahydrfurano-Samarium(II)-bis(tetraethylaluminate)","","","- C24 H56 Al2 O2 Sm -","- C24 H56 Al2 O2 Sm -","- C96 H224 Al8 O8 Sm4 -","4","0.5","","Reiner Anwander; H. Martin Dietrich; Marcus G. Schrems; Karl W. Tornroos","[LnIIAlIII2(alkyl)8]x: donor addition instead of donor-induced cleavage","Chemical Communications","2005","","","","","10.1039/b512047k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7100582","14.8252","0.0005","14.5838","0.0005","14.3734","0.0005","90","","98.311","0.001","90","","3075","0.18","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetrahydrfurano-Ytterbium(II)-bis(tetraethylaluminate)","","","- C24 H56 Al2 O2 Yb -","- C24 H56 Al2 O2 Yb -","- C96 H224 Al8 O8 Yb4 -","4","0.5","","Reiner Anwander; H. Martin Dietrich; Marcus G. Schrems; Karl W. Tornroos","[LnIIAlIII2(alkyl)8]x: donor addition instead of donor-induced cleavage","Chemical Communications","2005","","","","","10.1039/b512047k","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100583","21.0447","0.0006","13.507","0.0005","38.1717","0.0013","90","","96.1949","0.0012","90","","10787","0.6","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","stannene","","","- C49 H78 Si6 Sn -","- C49 H78 Si6 Sn -","- C392 H624 Si48 Sn8 -","8","1","","Mizuhata, Yoshiyuki; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis and properties of a stable 6-stannapentafulvene","Chemical Communications (Cambridge, United Kingdom)","2005","","47","5876","5878","10.1039/b512097g","","","","","","","","","","","","","","","","","","","","","has coordinates","277871","2022-09-15","11:22:46",""
"7100584","12.347","0.002","13.0052","0.0018","20.418","0.004","71.537","0.007","81.57","0.007","74.856","0.007","2994.7","0.8","103","2","103","2","","","","","","","","4","P -1","-P 1","2","Sn=C_DMB","","","- C58 H91 Si6 Sn -","- C58 H91 Si6 Sn -","- C116 H182 Si12 Sn2 -","2","1","","Mizuhata, Yoshiyuki; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis and properties of a stable 6-stannapentafulvene","Chemical Communications (Cambridge, United Kingdom)","2005","","47","5876","5878","10.1039/b512097g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277873","2022-09-15","11:31:04",""
"7100585","39.1557","0.0012","39.1557","0.0012","33.086","0.002","90","","90","","90","","50726","4","173","2","173","2","","","","","","","","8","P 42/n c m :2","-P 4ac 2ac","138","","","","- Fe7 H446 K23 Mo80 Na4 O546 S12 V15 -","- Fe6.99 K21 Mo80.01 O498.6 S12 V15 -","- Fe27.96 K84 Mo320.04 O1994.4 S48 V60 -","4","0.25","","Paul Kogerler; Bogdan Botar; Ricardo Garcia-Serres; Craig Hill; Achim Muller","Ferrimagnetically ordered nanosized polyoxomolybdate-based cluster spheres","Chemical Communications","2005","","","","","10.1039/b512244a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100586","39.1698","0.0014","39.1698","0.0014","33.1093","0.0017","90","","90","","90","","50799","4","173","2","173","2","","","","","","","","8","P 42/n c m :2","-P 4ac 2ac","138","","","","- Fe11 H454 K21 Mo80 Na2 O546 S12 V11 -","- Fe11.01 K21 Mo79.98 O495.2 S12 V11.01 -","- Fe44.04 K84 Mo319.92 O1980.8 S48 V44.04 -","4","0.25","","Paul Kogerler; Bogdan Botar; Ricardo Garcia-Serres; Craig Hill; Achim Muller","Ferrimagnetically ordered nanosized polyoxomolybdate-based cluster spheres","Chemical Communications","2005","","","","","10.1039/b512244a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100587","11.615","0.003","14.159","0.004","24.833","0.006","90","","105.265","0.011","90","","3939.9","1.8","125","2","125","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Al Cl6 N3 O2 P W -","- C32 H41 Al Cl6 N3 O2 P W -","- C128 H164 Al4 Cl24 N12 O8 P4 W4 -","4","1","","A. Carty; Todd Graham; Konstantin A. Udachin","Reactivity Patterns of Thermally Stable, Terminal, Electrophilic Phosphinidene Complexes Towards Diazoalkanes: Oxidation at the Phosphorus Centre and Formation of P-bound h1-Phosphaimine, h1-Phosphaalkene and h3-Diazaphosphaallene Complexes.","Chemical Communications","2005","","","","","10.1039/b512375e","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100588","10.3584","0.0008","17.4493","0.0014","18.9477","0.0015","90","","99.531","0.001","90","","3377.5","0.5","125","2","125","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Al Cl6 Fe N3 O2 P -","- C27 H31 Al Cl6 Fe N3 O2 P -","- C108 H124 Al4 Cl24 Fe4 N12 O8 P4 -","4","1","","A. Carty; Todd Graham; Konstantin A. Udachin","Reactivity Patterns of Thermally Stable, Terminal, Electrophilic Phosphinidene Complexes Towards Diazoalkanes: Oxidation at the Phosphorus Centre and Formation of P-bound h1-Phosphaimine, h1-Phosphaalkene and h3-Diazaphosphaallene Complexes.","Chemical Communications","2005","","","","","10.1039/b512375e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7100589","10.7258","0.0007","11.0115","0.0007","11.2248","0.0007","90","","90.941","0.001","90","","1325.55","0.15","125","2","125","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C17 H29 Al Cl4 Fe N O2 P Si -","- C17 H29 Al Cl4 Fe N O2 P Si -","- C34 H58 Al2 Cl8 Fe2 N2 O4 P2 Si2 -","2","1","","A. Carty; Todd Graham; Konstantin A. Udachin","Reactivity Patterns of Thermally Stable, Terminal, Electrophilic Phosphinidene Complexes Towards Diazoalkanes: Oxidation at the Phosphorus Centre and Formation of P-bound h1-Phosphaimine, h1-Phosphaalkene and h3-Diazaphosphaallene Complexes.","Chemical Communications","2005","","","","","10.1039/b512375e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7100590","25.1473","0.0009","20.5188","0.0004","26.3469","0.001","90","","113.361","0.003","90","","12480.4","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C130 H138 Ag4 O8 P10 S4 -","- C122 H102 Ag4 O6 P10 S4 -","- C488 H408 Ag16 O24 P40 S16 -","4","0.5","","Alexander Rothenberger; R. Ahrichs; Christopher E. Anson; C. Schrodt; Maryam Shafaei-Fallah; Weifeng Shi","Reactions of P/S-containing proligands with coinage metal salts: a new route to polynuclear complexes with unusual structural types","Chemical Communications","2005","","","","","10.1039/b512473e","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100591","22.841","0.0006","23.4102","0.0007","23.8337","0.0006","118.29","0.002","96.031","0.002","113.295","0.002","9609.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C360 H388 Ag28 O39 P24 S26 -","- C348 H364 Ag28 O36 P24 S26 -","- C348 H364 Ag28 O36 P24 S26 -","1","0.5","","Alexander Rothenberger; R. Ahrichs; Christopher E. Anson; C. Schrodt; Maryam Shafaei-Fallah; Weifeng Shi","Reactions of P/S-containing proligands with coinage metal salts: a new route to polynuclear complexes with unusual structural types","Chemical Communications","2005","","","","","10.1039/b512473e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100592","14.0332","0.0004","16.4359","0.0005","26.1064","0.0008","106.226","0.002","102.598","0.002","91.228","0.003","5620.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H126 Cu3 O4 P7 S6 -","- C122 H126 Cu3 O4 P7 S6 -","- C244 H252 Cu6 O8 P14 S12 -","2","1","","Alexander Rothenberger; R. Ahrichs; Christopher E. Anson; C. Schrodt; Maryam Shafaei-Fallah; Weifeng Shi","Reactions of P/S-containing proligands with coinage metal salts: a new route to polynuclear complexes with unusual structural types","Chemical Communications","2005","","","","","10.1039/b512473e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100593","7.236","0.002","25.752","0.008","12.611","0.004","90","","102.432","0.005","90","","2295","1.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-bis(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene","","","- C25 H16 F6 N2 S2 -","- C25 H16 F6 N2 S2 -","- C100 H64 F24 N8 S8 -","4","1","","Lumi Kuroki; Shizuka Takami; Katsunori Shibata; Masahiro Irie","Photochromism of Single Crystals Composed of Dioxazolylethene and Dithiazolylethene","Chemical Communications","2005","","","","","10.1039/b512873k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100594","7.202","0.002","25.771","0.007","12.589","0.004","90","","102.302","0.004","90","","2282.7","1.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mixed crystal of dioxazolylethene and dithiazolylethene","","","- C50 H32 F12 N4 O2 S2 -","- C50 H32 F12 N4 O0.616 S3.384 -","- C100 H64 F24 N8 O1.232 S6.768 -","2","0.5","","Lumi Kuroki; Shizuka Takami; Katsunori Shibata; Masahiro Irie","Photochromism of Single Crystals Composed of Dioxazolylethene and Dithiazolylethene","Chemical Communications","2005","","","","","10.1039/b512873k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180107","2020-10-21","18:00:00",""
"7100595","11.618","0.003","17.791","0.005","10.274","0.003","90","","95.773","0.005","90","","2112.8","1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,2-bis(5-methyl-2-phenyl-4-oxazolyl)perfluorocyclopentene","","","- C25 H16 F6 N2 O2 -","- C25 H16 F6 N2 O2 -","- C100 H64 F24 N8 O8 -","4","1","","Lumi Kuroki; Shizuka Takami; Katsunori Shibata; Masahiro Irie","Photochromism of Single Crystals Composed of Dioxazolylethene and Dithiazolylethene","Chemical Communications","2005","","","","","10.1039/b512873k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100596","16.834","0.0011","14.0098","0.0009","14.4084","0.0009","90","","106.03","0.001","90","","3266","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Br2 N2 O4 U -","- C24 H50 Br2 N2 O4 U -","- C96 H200 Br8 N8 O16 U4 -","4","1","","Paul Duval; Charles L. Barnes; Shanmugaperumal Kannan","Versatile New Uranyl(VI) Dihalide Complexes Supported by Tunable Organic Amide Ligands","Chemical Communications","2005","","","","","10.1039/b512966d","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100597","8.5267","0.0004","11.3761","0.0005","13.8153","0.0006","90","","96.745","0.001","90","","1330.82","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 Cl2 N2 O4 U -","- C20 H42 Cl2 N2 O4 U -","- C40 H84 Cl4 N4 O8 U2 -","2","0.5","","Paul Duval; Charles L. Barnes; Shanmugaperumal Kannan","Versatile New Uranyl(VI) Dihalide Complexes Supported by Tunable Organic Amide Ligands","Chemical Communications","2005","","","","","10.1039/b512966d","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100598","17.518","0.004","13.767","0.003","9.0857","0.0018","90","","91.32","0.03","90","","2190.5","0.8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H21 N8 O7.5 Pt S4 -","- C9 H21 N8 O7.5 Pt S4 -","- C36 H84 N32 O30 Pt4 S16 -","4","0.5","","Philip Gale; Mark E. Light; Roberto Quesada","Solvent-induced supramolecular isomerism in [Pt(S=C(NH2)2)4]2+ croconate salts","Chemical Communications","2005","","","","","10.1039/b513059j","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100599","17.315","0.004","9.4289","0.0019","23.344","0.005","90","","107.7","0.03","90","","3630.6","1.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H40 N8 O9 Pt S8 -","- C17 H40 N8 O9 Pt S8 -","- C68 H160 N32 O36 Pt4 S32 -","4","0.5","","Philip Gale; Mark E. Light; Roberto Quesada","Solvent-induced supramolecular isomerism in [Pt(S=C(NH2)2)4]2+ croconate salts","Chemical Communications","2005","","","","","10.1039/b513059j","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100600","38.36","0.02","38.8","0.02","24.643","0.005","90","","105.63","0.03","90","","35322","27","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C80 H157 Cl8 K5 N64 O46 Pt9 S34 -","- C80 H157 Cl8 K5 N64 O46 Pt9 S34 -","- C320 H628 Cl32 K20 N256 O184 Pt36 S136 -","4","0.5","","Philip Gale; Mark E. Light; Roberto Quesada","Solvent-induced supramolecular isomerism in [Pt(S=C(NH2)2)4]2+ croconate salts","Chemical Communications","2005","","","","","10.1039/b513059j","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100601","8.028","0.003","22.64","0.01","13.025","0.008","90","","100.99","0.02","90","","2323","1","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H38 Br4 Cl2 -","- C55 H38 Br4 Cl2 -","- C110 H76 Br8 Cl4 -","2","1","","Takanori Shibata; Kyoji Tsuchikama","Ir-catalyzed practically perfect enantioselective synthesis of helical polyaryls based on an axially chiral sequence","Chemical Communications","2005","","","","","10.1039/b513124c","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100602","10.6934","0.0004","11.1998","0.0004","16.0422","0.0006","100.976","0.001","91.353","0.001","108.14","0.001","1785.3","0.11","90","2","90","2","","","","","","","","5","P -1","-P 1","2","3","","","- C39 H55 Ge N O -","- C39 H55 Ge N O -","- C78 H110 Ge2 N2 O2 -","2","1","","P. Power; James C. Fettinger; Yang Peng.; Geoffrey H. Spikes; Jochen Steiner","Different reactivity of the heavier group 14 element alkyne analogues Ar'MMAr' (M = Ge, Sn; Ar' = C6H3-2,6(C6H3-2,6-Pri2)2) with R2NO","Chemical Communications","2005","","","","","10.1039/b513189h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100603","11.965","0.005","13.328","0.005","13.73","0.009","111.01","0.008","102.783","0.008","102.983","0.006","1879","1.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","4","","","- C44 H54 O Sn -","- C44 H54 O Sn -","- C88 H108 O2 Sn2 -","2","1","","P. Power; James C. Fettinger; Yang Peng.; Geoffrey H. Spikes; Jochen Steiner","Different reactivity of the heavier group 14 element alkyne analogues Ar'MMAr' (M = Ge, Sn; Ar' = C6H3-2,6(C6H3-2,6-Pri2)2) with R2NO","Chemical Communications","2005","","","","","10.1039/b513189h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100604","11.9901","0.0008","13.109","0.0009","13.7709","0.0009","110.633","0.001","103.258","0.001","102.685","0.001","1861.4","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","5","","","- C44 H54 Ge O -","- C44 H54 Ge O -","- C88 H108 Ge2 O2 -","2","1","","P. Power; James C. Fettinger; Yang Peng.; Geoffrey H. Spikes; Jochen Steiner","Different reactivity of the heavier group 14 element alkyne analogues Ar'MMAr' (M = Ge, Sn; Ar' = C6H3-2,6(C6H3-2,6-Pri2)2) with R2NO","Chemical Communications","2005","","","","","10.1039/b513189h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100605","12.4299","0.0013","12.7886","0.001","15.7132","0.001","69.726","0.005","69.678","0.007","83.481","0.007","2197.1","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H35 B F20 Si4 -","- C41 H35 B F20 Si4 -","- C82 H70 B2 F40 Si8 -","2","1","","P. Lickiss; Nicholas Choi; Phindile C. Masangane; M. McPartlin; Guilaine L. Venezian","Isolation and structure of a silicocationic species with 1,3-aryl bridging between silicon atoms: a bis-silylated benzenium ion or a bridging Ph group?","Chemical Communications","2005","","","","","10.1039/b513203g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100606","12.184","0.002","15.089","0.003","15.868","0.003","88.73","0.03","73.68","0.03","71.06","0.03","2640.4","0.9","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- Ba3 Ge4 H38 Mn6 O19 Se17 -","- Ba3 Ge4 H38 Mn6 O19 Se17 -","- Ba6 Ge8 H76 Mn12 O38 Se34 -","2","1","","Stefanie Dehnen; Rodolphe Clerac; Maike Melullis","Ternary Mn/Ge/Se Anions from Reactions of [Ba2(H2O)9][GeSe4]: Synthesis and Characterization of Compounds Containing Discrete or Polymeric [Mn6Ge4Se17]6 Units","Chemical Communications","2005","","","","","10.1039/b513305j","","","","","","","","","","","","","","","","","","","","","has coordinates","189180","2020-10-21","18:00:00",""
"7100607","13.916","0.003","15.097","0.003","16.116","0.003","90","","90","","90","","3385.9","1.2","203","2","203","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Ba2 Ge H18 O9 Se4 -","- Ba2 Ge H18 O9 Se4 -","- Ba16 Ge8 H144 O72 Se32 -","8","1","","Stefanie Dehnen; Rodolphe Clerac; Maike Melullis","Ternary Mn/Ge/Se Anions from Reactions of [Ba2(H2O)9][GeSe4]: Synthesis and Characterization of Compounds Containing Discrete or Polymeric [Mn6Ge4Se17]6 Units","Chemical Communications","2005","","","","","10.1039/b513305j","","","","","","","","","","","","","","","","","","","","","has coordinates","189180","2020-10-21","18:00:00",""
"7100608","20.463","0.003","20.463","0.003","25.119","0.005","90","","90","","120","","9109","3","203","2","203","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- Ba3 Ge4 H60 Mn6 O30 Se17 -","- Ba3 Ge4 H60 Mn6 O30 Se17 -","- Ba18 Ge24 H360 Mn36 O180 Se102 -","6","0.333333","","Stefanie Dehnen; Rodolphe Clerac; Maike Melullis","Ternary Mn/Ge/Se Anions from Reactions of [Ba2(H2O)9][GeSe4]: Synthesis and Characterization of Compounds Containing Discrete or Polymeric [Mn6Ge4Se17]6 Units","Chemical Communications","2005","","","","","10.1039/b513305j","","","","","","","","","","","","","","","","","","","","","has coordinates","189180","2020-10-21","18:00:00",""
"7100609","19.844","0.016","19.844","0.016","19.844","0.016","90","","90","","90","","7815","11","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C56 H72 N2 O24 Pt12 -","- C59.994 H71.982 N2 O24 Pt12 -","- C239.976 H287.928 N8 O96 Pt48 -","4","0.166667","","Giuliano Longoni; Cristina Femoni; M. Carmela Iapalucci; Francesco Kaswalder; Marita Mehlstaubl; Stefano Zacchini","High-yield one-step synthesis in water of [Pt3n(CO)6n]2- (n>6) and [Pt38(CO)44]2-.","Chemical Communications","2005","","","","","10.1039/b513507a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100610","15.6156","0.0005","15.6156","0.0005","14.0477","0.0009","90","","90","","90","","3425.5","0.3","100","2","100","2","","","","","","","","5","P -4","P -4","81","","","","- C108 H72 O48 P2 Pt38 -","- C108 H72 O48 P2 Pt38 -","- C108 H72 O48 P2 Pt38 -","1","0.25","","Giuliano Longoni; Cristina Femoni; M. Carmela Iapalucci; Francesco Kaswalder; Marita Mehlstaubl; Stefano Zacchini","High-yield one-step synthesis in water of [Pt3n(CO)6n]2- (n>6) and [Pt38(CO)44]2-.","Chemical Communications","2005","","","","","10.1039/b513507a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100611","8.0925","0.0005","12.2513","0.0011","14.9817","0.0011","91.958","0.004","98.528","0.003","96.609","0.004","1457.17","0.19","153.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C47 H79 Cl3 Cu3 N4 O16 -","- C47 H79 Cl3 Cu3 N4 O16 -","- C47 H79 Cl3 Cu3 N4 O16 -","1","1","","Ajay K. Sah; Tomoaki Tanase","Crystal-to crystal transformation from tri to mononuclear Cu(II) complex with a sugar-derived ligand via proton transfer reaction and rearrangement of hydrogen bonding networks","Chemical Communications","2005","","","","","10.1039/b513788h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100612","6.612","0.004","12.23","0.006","14.089","0.007","77.465","0.01","82.337","0.014","88.386","0.016","1102.3","1","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C21 H32 Cu N2 O6 -","- C21 H32 Cu N2 O6 -","- C42 H64 Cu2 N4 O12 -","2","2","","","","Chemical Communications","2005","","","","","10.1039/b513788h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100753","11.282","0.003","12.582","0.003","18.736","0.004","90","","90.513","0.005","90","","2659.4","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","chelate phophine","","","- C29 H32 O P2 Si -","- C29 H32 O P2 Si -","- C116 H128 O4 P8 Si4 -","4","1","","F.Piestert; R.Fetouaki; M.Bogza; T.Oeser; J.Blumel","Easy one-pot syntheses of new dppm-type linkers for immobilizations","Chemical Communications","2005","","","","","10.1039/b413642j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100754","10.662","0.001","11.165","0.001","31.824","0.003","81.616","0.002","81.46","0.002","73.455","0.002","3569.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ylide","","","- C41 H41 O P3 Si -","- C41 H41 O P3 Si -","- C164 H164 O4 P12 Si4 -","4","2","","F.Piestert; R.Fetouaki; M.Bogza; T.Oeser; J.Blumel","Easy one-pot syntheses of new dppm-type linkers for immobilizations","Chemical Communications","2005","","","","","10.1039/b413642j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100755","18.9502","0.0003","10.9104","0.0002","14.8819","0.0002","90","","90","","90","","3076.9","0.09","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H32 Ni O3 P2 Si -","- C31 H32 Ni O3 P2 Si -","- C124 H128 Ni4 O12 P8 Si4 -","4","1","","F.Piestert; R.Fetouaki; M.Bogza; T.Oeser; J.Blumel","Easy one-pot syntheses of new dppm-type linkers for immobilizations","Chemical Communications","2005","","","","","10.1039/b413642j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100756","17.0589","0.0006","7.3377","0.0003","17.286","0.0007","90","","118.849","0.002","90","","1895.21","0.13","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C88 H112 O20 -","4","1","","Young Keun Chung; Do Han Kim","Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction","Chemical Communications","2005","","","","","10.1039/b413918f","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100757","10.8847","0.0004","9.8634","0.0005","18.9142","0.0005","90","","103.398","0.002","90","","1975.37","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C88 H112 O20 -","4","1","","Young Keun Chung; Do Han Kim","Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction","Chemical Communications","2005","","","","","10.1039/b413918f","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100758","9.4991","0.0006","15.8252","0.0013","16.8571","0.0013","90","","98.267","0.005","90","","2507.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl2 O3 -","- C30 H28 Cl2 O3 -","- C120 H112 Cl8 O12 -","4","1","","Young Keun Chung; Do Han Kim","Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction","Chemical Communications","2005","","","","","10.1039/b413918f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100759","8.613","0.0006","23.0367","0.0009","10.7028","0.0007","90","","95.494","0.002","90","","2113.8","0.2","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C25 H25 O6 -","- C25 H26 O6 -","- C100 H104 O24 -","4","1","","Young Keun Chung; Do Han Kim","Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction","Chemical Communications","2005","","","","","10.1039/b413918f","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100760","10.47","0.004","6.352","0.002","24.228","0.008","90","","95.129","0.014","90","","1604.8","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Young Keun Chung; Do Han Kim","Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction","Chemical Communications","2005","","","","","10.1039/b413918f","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100761","28.879","0.006","17.256","0.004","27.838","0.006","90","","110.62","0.03","90","","12984","5","25","2","25","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C148 H122 B6 Cr N14 -","- C148.01 H122 B6 Cr N14 -","- C592.04 H488 B24 Cr4 N56 -","4","1","","Kim Dunbar; Jose-Ramon Galan-Mascaros; Robert A. Heintz; Eric Schelter","Unexpected Conversion of a Hexacyanometallate to a Homoleptic Nitrile Complex with Triphenylborane Substituents","Chemical Communications","2005","","","","","10.1039/b414262d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100762","12.962","0.0001","18.328","0.0002","13.743","0.0002","90","","104.246","0.0008","90","","3164.49","0.06","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 As Fe Mo O4 P Si2 -","- C26 H38 As Fe Mo O4 P Si2 -","- C104 H152 As4 Fe4 Mo4 O16 P4 Si8 -","4","1","","L.Weber; P.Bayer; H.-G.Stammler; B.Neumann","Synthesis and Molecular Structure of Dicarbonylcyclopentadienyl-[1-(pentamethylcyclopentadienyldicarbonyliron) -3,3-bis(trimethylsilyl)-h3-1-arsa-2-phosphaallyl]molybdenum, the First Complex featuring an h3-Arsaphosphaallyl Ligand.","Chemical Communications","2005","","","","","10.1039/b414621b","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100763","9.538","0.0001","14.042","0.0001","14.311","0.0002","100.314","0.0007","100.074","0.0007","92.409","0.0008","1851.33","0.03","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H52 As Fe O4 P Si2 W -","- C33 H52 As Fe O4 P Si2 W -","- C66 H104 As2 Fe2 O8 P2 Si4 W2 -","2","1","","L.Weber; P.Bayer; H.-G.Stammler; B.Neumann","Synthesis and Molecular Structure of Dicarbonylcyclopentadienyl-[1-(pentamethylcyclopentadienyldicarbonyliron) -3,3-bis(trimethylsilyl)-h3-1-arsa-2-phosphaallyl]molybdenum, the First Complex featuring an h3-Arsaphosphaallyl Ligand.","Chemical Communications","2005","","","","","10.1039/b414621b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100764","14.079","0.003","16.444","0.004","19.995","0.005","90","","90.129","0.004","90","","4629","3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H86 Cl12 Co2 Mn2 N4 P6 -","- C86 H78 Cl4 Co2 Mn2 N4 P6 -","- C172 H156 Cl8 Co4 Mn4 N8 P12 -","2","0.5","","Kim Dunbar; Andrew V. Prosvirin; Eric J. Schelter","A High Spin Molecular Square Based on Square Pyramidal CoII and Tetrahedral MnII Centers: [{MnIICl2}2{CoII(triphos)(CN)2}2]","Chemical Communications","2005","","","","","10.1039/b415168b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100765","29.86","0.02","29.86","0.02","29.86","0.02","90","","90","","90","","26615","32","93","","","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C110 H182 Ag6 Ca4 F42 N24 O73 S26 -","- C110 H168 Ag6 Ca4 F42 N24 O73 S26 -","- C440 H672 Ag24 Ca16 F168 N96 O292 S104 -","4","0.333333","","Mitsuhiko Shionoya; Tomoko Okada; Motoo Shiro; K. Tanaka","Heterogeneous Assembly of Silver(I) and Calcium(II) Ions Accompanying a Dimer Formation of cyclo(L-Ala-L-Met)3","Chemical Communications","2005","","","","","10.1039/b415567j","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100766","12.2","0.001","12.484","0.001","12.591","0.001","60.433","0.004","62.908","0.005","84.406","0.005","1464.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 Br4 Cl24 -","- C60 Br4 Cl24 -","- C60 Br4 Cl24 -","1","0.5","","Sergey Troyanov; Erhard Kemnitz; Alex A. Popov; Natalia B. Shustova; L. N. Sidorov; Andrew P. Turnbull","Preparation and crystallographic characterization of C60Cl24","Chemical Communications","2005","","","","","10.1039/b416341a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100767","10.778","0.002","14.142","0.003","8.4526","0.0002","90","","90","","90","","1288.4","0.4","295","2","295","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C5 H2 F6 N3 S2 Sb Se2 -","- C5 H2 F6 N3 S2 Sb Se2 -","- C20 H8 F24 N12 S8 Sb4 Se8 -","4","0.5","","Richard Oakley; Leanne Beer; Jaclyn L. Brusso; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Robert W. Reed; John F. Richardson","Selenium based neutral radical conductors","Chemical Communications","2005","","","","","10.1039/b416352d","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100768","4.8546","0.0008","12.692","0.002","16.472","0.003","90","","97.624","0.003","90","","1005.9","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N3 S2 Se2 -","- C7 H6 N3 S2 Se2 -","- C28 H24 N12 S8 Se8 -","4","1","","Richard Oakley; Leanne Beer; Jaclyn L. Brusso; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Robert W. Reed; John F. Richardson","Selenium based neutral radical conductors","Chemical Communications","2005","","","","","10.1039/b416352d","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7100769","11.5792","0.001","12.4592","0.0011","19.0001","0.0017","88.38","0.002","84.943","0.002","65.788","0.002","2490.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H84 Cd F18 N12 O38 S6 -","- C78 H84 Cd F18 N12 O38 S6 -","- C78 H84 Cd F18 N12 O38 S6 -","1","0.5","","Loeb, Stephen J.","Metal Organic Rotaxane Frameworks; MORFs","Chemical Communications","2005","","","","","10.1039/b416609d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100770","10.244","0.003","12.187","0.003","15.56","0.004","92.299","0.005","102.362","0.004","114.124","0.004","1713.8","0.8","203","2","203","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H34 F12 N3 O8 S4 Si Ti -","- C19 H27 F12 N3 O8 S4 Si Ti -","- C38 H54 F24 N6 O16 S8 Si2 Ti2 -","2","1","","Warren Oldham; David A. Costa; Brian L. Scott; Michael E. Stoll; D. Bridget Williams","Coordination chemistry of the bis(trifluoromethylsulfonyl)imide anion: molecular interactions in room temperature ionic liquids","Chemical Communications","2005","","","","","10.1039/b416830e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100771","10.76","0.005","14.354","0.006","17.295","0.007","90","","98.438","0.009","90","","2642","2","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F12 N2 O8 Ru S4 -","- C14 H14 F12 N2 O8 Ru S4 -","- C56 H56 F48 N8 O32 Ru4 S16 -","4","1","","Warren Oldham; David A. Costa; Brian L. Scott; Michael E. Stoll; D. Bridget Williams","Coordination chemistry of the bis(trifluoromethylsulfonyl)imide anion: molecular interactions in room temperature ionic liquids","Chemical Communications","2005","","","","","10.1039/b416830e","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100772","9.1524","0.0014","9.1524","0.0014","31.283","0.007","90","","90","","120","","2269.4","0.7","203","2","203","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C9 H5 F6 Fe N O6 S2 -","- C9 H5 F6 Fe N O6 S2 -","- C54 H30 F36 Fe6 N6 O36 S12 -","6","1","","Warren Oldham; David A. Costa; Brian L. Scott; Michael E. Stoll; D. Bridget Williams","Coordination chemistry of the bis(trifluoromethylsulfonyl)imide anion: molecular interactions in room temperature ionic liquids","Chemical Communications","2005","","","","","10.1039/b416830e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100773","9.862","0.003","10.505","0.003","12.736","0.004","94.226","0.005","109.178","0.004","92.533","0.005","1239.5","0.6","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H10 F12 N2 O8 S4 Ti -","- C14 H10 F12 N2 O8 S4 Ti -","- C28 H20 F24 N4 O16 S8 Ti2 -","2","1","","Warren Oldham; David A. Costa; Brian L. Scott; Michael E. Stoll; D. Bridget Williams","Coordination chemistry of the bis(trifluoromethylsulfonyl)imide anion: molecular interactions in room temperature ionic liquids","Chemical Communications","2005","","","","","10.1039/b416830e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100774","7.363","0.002","9.422","0.003","13.976","0.004","90","","90","","90","","969.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Co N O7 -","- C7 H3 Co N O7 -","- C28 H12 Co4 N4 O28 -","4","1","","Shilun Qiu; Qianrong Fang; Jinyu Sun; Ge Tian; Yan Wei; Ming Xue; Xiaoyu Yang; Guangshan Zhu","A novel chiral layered Co(II) coordination polymer with helical chains from achiral materials","Chemical Communications","2005","","","","","10.1039/b417184e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100775","6.1497","0.0002","11.3722","0.0008","15.4457","0.001","91.678","0.003","97.587","0.004","102.556","0.004","1043.26","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H58 F4 S4 -","- C46 H58 F4 S4 -","- C46 H58 F4 S4 -","1","0.5","","Peter Skabara; Simon J. Coles; David J. Crouch; Martin J. Heeney; Michael B. Hursthouse; I. McCulloch","Hexyl-substituted oligothiophenes with a central terafluorophenylene unit: crystal engineering of planar structures for p-type organic semiconductors","Chemical Communications","2005","","","","","10.1039/b417642a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100776","20.5113","0.0012","20.5113","0.0012","14.2496","0.0011","90","","90","","90","","5995","0.7","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C34 H34 F4 S4 -","- C34 H34 F4 S4 -","- C272 H272 F32 S32 -","8","1","","Peter Skabara; Simon J. Coles; David J. Crouch; Martin J. Heeney; Michael B. Hursthouse; I. McCulloch","Hexyl-substituted oligothiophenes with a central terafluorophenylene unit: crystal engineering of planar structures for p-type organic semiconductors","Chemical Communications","2005","","","","","10.1039/b417642a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100777","12.1717","0.0001","27.7942","0.0003","13.6249","0.0001","90","","113.142","0.0005","90","","4238.43","0.07","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H66 N3 O2 Si2 Sm -","- C42 H66 N3 O2 Si2 Sm -","- C168 H264 N12 O8 Si8 Sm4 -","4","1","","Michael Guy Gardiner; Jun Wang","C-H Activation (g-deprotonation) of a Sm(III) bis(trimethylsilyl)amide complex via macrocyclic stabilisation of the sodium counter ion","Chemical Communications","2005","","","","","10.1039/b417679k","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100778","11.8735","0.0001","12.4181","0.0002","18.6506","0.0002","88.074","0.0006","89.2062","0.0006","70.8546","0.0004","2596.38","0.05","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C52.5 H77 N3 Na O2 Si2 Sm -","- C52.5 H73 N3 Na O2 Si2 Sm -","- C105 H146 N6 Na2 O4 Si4 Sm2 -","2","1","","Michael Guy Gardiner; Jun Wang","C-H Activation (g-deprotonation) of a Sm(III) bis(trimethylsilyl)amide complex via macrocyclic stabilisation of the sodium counter ion","Chemical Communications","2005","","","","","10.1039/b417679k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100779","10.429","0.001","10.165","0.001","18.966","0.001","90","","101.69","0.001","90","","1968.9","0.3","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 P -","- C27 H19 P -","- C108 H76 P4 -","4","1","","Le Floch,Pascal; Hansjorg Grutzmacher; Louis Ricard; Claire Thoumazet","Dibenzo[a,d]cycloheptenyl Dibenzophosphole Palladium Dichoride: Synthesis, X-Ray-Crystal Structure and Application in the Suzuki-Myaura Coupling","Chemical Communications","2005","","","","","10.1039/b417716a","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100780","10.399","0.001","15.885","0.001","17.064","0.001","90","","90","","90","","2818.8","0.4","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Cl6 P Pd -","- C29 H23 Cl6 P Pd -","- C116 H92 Cl24 P4 Pd4 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b417716a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100781","6.191","0.001","19.168","0.003","21.858","0.004","90","","90","","90","","2593.9","0.8","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N,N,N',N'-tetramethyl-p-phenylenediamine.1,8- diiodioperfluorooctane","","","- C18 H16 F16 I2 N2 -","- C18 H16 F16 I2 N2 -","- C72 H64 F64 I8 N8 -","4","1","","Pierangelo Metrangolo; Emanuela Guido; Rosalba Liantonio; Hannes Neukirch; Tullio Pilati; Giuseppe Resnati","Spontaneous resolution in a halogen bonded supramolecular architecture","Chemical Communications","2005","","","","","10.1039/b417771a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100782","6.1995","0.001","19.159","0.003","21.862","0.003","90","","90","","90","","2596.7","0.7","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N,N,N',N'-tetramethyl-p-phenylenediamine.1,8- diiodioperfluorooctane","","","- C18 H16 F16 I2 N2 -","- C18 H16 F16 I2 N2 -","- C72 H64 F64 I8 N8 -","4","1","","Pierangelo Metrangolo; Emanuela Guido; Rosalba Liantonio; Hannes Neukirch; Tullio Pilati; Giuseppe Resnati","Spontaneous resolution in a halogen bonded supramolecular architecture","Chemical Communications","2005","","","","","10.1039/b417771a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100783","19.934","0.001","19.934","0.001","25.343","0.003","90","","90","","90","","10070.4","1.4","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C136 H128 Cl24 Mn12 O48 S16 -","- C136 H120 Cl24 Mn12 O48 S16 -","- C272 H240 Cl48 Mn24 O96 S32 -","2","0.25","","Roberta Sessoli; Roberto Biagi; Daniele Bonacchi; Guillaume Chastanet; Andrea Cornia; Del Pennino,Umberto; D. Gatteschi; Matteo Mannini; Mirko Pacchioni; Chiara Zanardi; Laura Zobbi","Isolated Single Molecule Magnets on native gold","Chemical Communications","2005","","","","","10.1039/b418072k","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100784","13.641","0.003","18.267","0.004","15.156","0.003","90","","92.42","0.03","90","","3773.2","1.4","301","2","301","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H108 Cl4 N4 O2 P2 Pd -","- C72 H108 Cl4 N4 O2 P2 Pd -","- C144 H216 Cl8 N8 O4 P4 Pd2 -","2","0.5","","Vivian Yam; Chi-Chiu Ko; Xiao-Xia Lu; Hau-San Tang; Jenny Ka-Yan Wong; Nianyong Zhu","Anion-assisted trans-cis isomerization of palladium(II) phosphine complexes containing acetanilide functionalities through hydrogen bonding interactions","Chemical Communications","2005","","","","","10.1039/b418202b","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100785","9.3177","0.001","10.0414","0.0011","11.7532","0.0013","105.928","0.002","109.526","0.002","96.78","0.002","969.56","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","((3,5-(CF3)2PzCu)4(C4H4N2)2)","","","- C28 H12 Cu4 F24 N12 -","- C28 H12 Cu4 F24 N12 -","- C28 H12 Cu4 F24 N12 -","1","0.5","","Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Gamage, Chammi S. Palehepitiya","Neutral Cu~4~N~12~ and Ag~4~N~12~ metallacycles with a para-cyclophane framework assembled from copper(I) and silver(I) pyrazolates and pyridazine.","Chemical Communications (Cambridge, United Kingdom)","2005","","12","1619","1621","10.1039/b418306a","","","0.71073","MoKα","","0.0312","0.0302","","","0.0815","0.0824","","","","","","1.054","","","","has coordinates","209732","2020-10-21","18:00:00",""
"7100786","18.142","0.002","22.807","0.003","10.0462","0.0012","90","","104.477","0.002","90","","4024.7","0.8","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((3,5-(CF3)2PzAg)4(C4H4N2)2)","","","- C28 H12 Ag4 F24 N12 -","- C28 H12 Ag4 F24 N12 -","- C112 H48 Ag16 F96 N48 -","4","1","","Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Gamage, Chammi S. Palehepitiya","Neutral Cu~4~N~12~ and Ag~4~N~12~ metallacycles with a para-cyclophane framework assembled from copper(I) and silver(I) pyrazolates and pyridazine.","Chemical Communications (Cambridge, United Kingdom)","2005","","12","1619","1621","10.1039/b418306a","","","0.71073","MoKα","","0.0329","0.0298","","","0.0769","0.0788","","","","","","1.085","","","","has coordinates","209732","2020-10-21","18:00:00",""
"7100787","9.2674","0.0014","15.769","0.002","23.946","0.004","90","","99.06","0.002","90","","3455.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","((3,5-(CF3)2PzCu)3(C12H8N2))","","","- C28 H13 Cl2 Cu3 F18 N8 -","- C28 H13 Cl2 Cu3 F18 N8 -","- C112 H52 Cl8 Cu12 F72 N32 -","4","1","","Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Gamage, Chammi S. Palehepitiya","Neutral Cu~4~N~12~ and Ag~4~N~12~ metallacycles with a para-cyclophane framework assembled from copper(I) and silver(I) pyrazolates and pyridazine.","Chemical Communications (Cambridge, United Kingdom)","2005","","12","1619","1621","10.1039/b418306a","","","0.71073","MoKα","","0.0665","0.0554","","","0.1397","0.1444","","","","","","1.19","","","","has coordinates","209732","2020-10-21","18:00:00",""
"7100788","4.1673","0.0002","6.5063","0.0004","12.4424","0.0006","97.557","0.003","92.948","0.003","91.67","0.002","333.77","0.03","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O6 -","- C12 H16 O6 -","- C12 H16 O6 -","1","0.5","","Roger Davey; G. Dent; S. Parveen","Linking solution chemistry to crystal nucleation:the case of tetrolic acid","Chemical Communications","2005","","","","","10.1039/b418603f","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100789","12.6721","0.0009","13.6678","0.0012","17.264","0.003","92.904","0.004","104.552","0.006","91.186","0.004","2888.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(La(DippForm)2(F)(THF)).C7H8","","","- C61 H86 F La N4 O -","- C61 H78 F La N4 O -","- C122 H156 F2 La2 N8 O2 -","2","1","","Peter Junk; Marcus L. Cole; Glen B. Deacon; Kristina Konstas","Steric Engineering of C-F Activation with Lanthanoid Formamidinates","Chemical Communications","2005","","","","","10.1039/b419047e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100790","10.6132","0.0003","20.4222","0.0007","14.8655","0.0006","90","","98.531","0.001","90","","3186.37","0.19","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(DippForm(CH2)4O(o-HC6F4))","","","- C35 H44 F4 N2 O -","- C35 H44 F4 N2 O -","- C140 H176 F16 N8 O4 -","4","1","","Peter Junk; Marcus L. Cole; Glen B. Deacon; Kristina Konstas","Steric Engineering of C-F Activation with Lanthanoid Formamidinates","Chemical Communications","2005","","","","","10.1039/b419047e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100791","9.5388","0.0004","30.059","0.0014","33.0514","0.0015","84.051","0.002","83.669","0.002","81.165","0.002","9270.8","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H64 B16 P4 Pd2 -","- C32 H64 B16 P4 Pd2 -","- C256 H512 B128 P32 Pd16 -","8","4","","John D. Kennedy; Michael G. S. Londesborough; Elizabeth J. MacLean; S. J. Teat; Mark Thornton-Pett","Macropolyhedral boron-containing cluster chemistry. Synchrotron X-ray structural analysis of [(PMe2Ph)2Pd2B16H20(PMe2Ph)2] and [(PMe2Ph)3Pt2B16H18(PMe2Ph)]: Models of intermediates to more condensed metallaboranes from the [(PMe2Ph)2PtB8H12] thermolysis system.","Chemical Communications","2005","","","","","10.1039/b419242g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100792","25.3975","0.0011","10.276","0.0005","18.4033","0.0008","90","","106.063","0.001","90","","4615.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H62 B16 P4 Pt2 -","- C32 H62 B16 P4 Pt2 -","- C128 H248 B64 P16 Pt8 -","4","1","","John D. Kennedy; Michael G. S. Londesborough; Elizabeth J. MacLean; S. J. Teat; Mark Thornton-Pett","Macropolyhedral boron-containing cluster chemistry. Synchrotron X-ray structural analysis of [(PMe2Ph)2Pd2B16H20(PMe2Ph)2] and [(PMe2Ph)3Pt2B16H18(PMe2Ph)]: Models of intermediates to more condensed metallaboranes from the [(PMe2Ph)2PtB8H12] thermolysis system.","Chemical Communications","2005","","","","","10.1039/b419242g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100839","21.232","0.005","24.238","0.005","10.398","0.005","90","0.005","90","0.005","90","0.005","5351","3","153","2","153","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C50 H76 Si4 Sn2 -","- C50 H76 Si4 Sn2 -","- C200 H304 Si16 Sn8 -","4","1","","Alan Cowley; Jamie N. Jones","pi-Indenyl tin(II) and lead(II) compounds","Chemical Communications","2005","","","","","10.1039/b410549d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100840","11.44","0.005","17.3","0.005","18.587","0.005","103.452","0.005","105.369","0.005","91.091","0.005","3437","2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H92 Si8 Sn2 -","- C60 H92 Si8 Sn2 -","- C120 H184 Si16 Sn4 -","2","1","","Alan Cowley; Jamie N. Jones","pi-Indenyl tin(II) and lead(II) compounds","Chemical Communications","2005","","","","","10.1039/b410549d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100841","35.144","0.005","10.548","0.005","31.09","0.005","90","0.005","90","0.005","90","0.005","11525","6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C100 H152 Pb4 Si8 -","- C100 H152 Pb4 Si8 -","- C400 H608 Pb16 Si32 -","4","1","","Alan Cowley; Jamie N. Jones","pi-Indenyl tin(II) and lead(II) compounds","Chemical Communications","2005","","","","","10.1039/b410549d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100842","15.226","0.005","10.237","0.005","16.111","0.005","90","0.005","90","0.005","90","0.005","2511.2","1.7","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H38 Ge0 Li O2 Si2 -","- C23 H38 Li O2 Si2 -","- C92 H152 Li4 O8 Si8 -","4","1","","Alan Cowley; Jamie N. Jones","pi-Indenyl tin(II) and lead(II) compounds","Chemical Communications","2005","","","","","10.1039/b410549d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100843","5.905","0.001","22.765","0.004","21.913","0.004","90","","100.031","0.004","90","","2900","1","243.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 N4 O2 -","- C37 H26 N4 O2 -","- C148 H104 N16 O8 -","4","1","","Tadashi Mizutani; Ho-Chol Chang; Hirotaka Furukawa; Shoji Horii; Susumu Kitagawa; Shigeyuki Masaoka; K. Wada; Takae Yamauchi","A Facile and Versatile Preparation of Bilindiones and Biladienones from Tetraarylporphyrins","Chemical Communications","2005","","","","","10.1039/b414299c","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100844","21.155","0.003","21.155","0.003","7.6632","0.0013","90","","90","","120","","2970","0.7","296","2","296","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C17.83 H8 F6 O4 Zn -","- C17.67 H8 F6 O4 Zn -","- C106.02 H48 F36 O24 Zn6 -","6","0.5","","Angeles Monge; Natalia Snejko; Enrique Gutierrez-Puebla; Manuela Medina; Concepcion Cascales; Marta Iglesias; Berta Gomez-Lor","One Teflon®-like Channelled Nanoporous Polymer with a Chiral and New Uninodal 4-connected Net. Sorption and catalityc properties.","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100845","21.224","0.01","21.224","0.01","7.71","0.005","90","","90","","120","","3008","3","296","2","296","2","","","","","","","","5","P 31","P 31","144","","","","- C17.17 H8 F6 O4 Zn -","- C17.25 H8 F6 O4 Zn -","- C103.5 H48 F36 O24 Zn6 -","6","2","","Angeles Monge; Natalia Snejko; Enrique Gutierrez-Puebla; Manuela Medina; Concepcion Cascales; Marta Iglesias; Berta Gomez-Lor","One Teflon®-like Channelled Nanoporous Polymer with a Chiral and New Uninodal 4-connected Net. Sorption and catalityc properties.","Chemical Communications","2005","","","","","10.1039/b415960h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100846","13.2428","0.0009","19.5571","0.0012","9.1855","0.0007","90","","106.53","0.009","90","","2280.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N5 -","- C12 H8 Cu N5 -","- C96 H64 Cu8 N40 -","8","2","","Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen","Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical Enumeration of Supramolecular Isomerism Based on a Predesigned Metal-Organic Building Block","Chemical Communications","2005","","","","","10.1039/b416095a","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100847","16.2147","0.0011","18.5212","0.0012","12.5482","0.0008","90","","115.506","0.001","90","","3401.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N5 -","- C12 H8 Cu N5 -","- C144 H96 Cu12 N60 -","12","1.5","","Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen","Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical Enumeration of Supramolecular Isomerism Based on a Predesigned Metal-Organic Building Block","Chemical Communications","2005","","","","","10.1039/b416095a","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100848","11.6326","0.0009","9.6838","0.0007","11.1798","0.0009","90","","108.41","0.002","90","","1194.93","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N5 -","- C12 H8 Cu N5 -","- C48 H32 Cu4 N20 -","4","1","","Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen","Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical Enumeration of Supramolecular Isomerism Based on a Predesigned Metal-Organic Building Block","Chemical Communications","2005","","","","","10.1039/b416095a","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100849","11.532","0.001","11.532","0.001","18.29","0.001","90","","90","","90","","2432.3","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 Cu N5 -","- C12 H8 Cu N5 -","- C96 H64 Cu8 N40 -","8","1","","Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen","Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical Enumeration of Supramolecular Isomerism Based on a Predesigned Metal-Organic Building Block","Chemical Communications","2005","","","","","10.1039/b416095a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100850","9.47294","0.00022","9.47294","0.00022","17.57073","0.00051","90","","90","","120","","1365.49","0.074","295","","295","","","","","","","","","6","P 63/m","-P 6c","176","tricloro-hexaacetonyl-bisplatinum(iv) potassium salt","","","- C18 H30 Cl3 K O6 Pt2 -","- C18 H30 Cl3 K O6 Pt2 -","- C36 H60 Cl6 K2 O12 Pt4 -","2","0.166667","","J. Vicente; A. Arcas; J.M. Fernandez-Hernandez; A. Sironi","An unprecedented process involving a normal and redox transmetallation reactions between Hg and Pt, affording the unexpected K[PtIV2(CH2C(O)Me)6(mu-Cl)3] complex. The key role of X-ray powder diffraction in unravelling its nature and structure.","Chemical Communications","2005","","","","","10.1039/b416261g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100851","11.172","0.004","11.172","0.004","13.401","0.007","90","","90","","120","","1448.4","1","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C20 H26 N O4 P -","- C20 H26 N O4 P -","- C60 H78 N3 O12 P3 -","3","1","","Mario Ordonez; Carlos Cativiela; Eugenio Hernandez-Fernandez; Janet Xahuentitla","Asymmetric alkylation of dimethoxyphosphoryl-N-[1-(S)-alfa-methylbenzyl)acetamide enolates. Synthesis of both stereoisomers from the same source of chirality changing the equivalents of LDA","Chemical Communications","2005","","","","","10.1039/b416616g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100852","11.026","0.003","21.411","0.007","15.908","0.005","90","","90.127","0.012","90","","3756","2","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H17 B10 Co -","- C7 H17 B10 Co -","- C84 H204 B120 Co12 -","12","3","","D. Ellis; E. Lopez; R. McIntosh; G.M. Rosair; A.J. Welch; R. Quenardelle","The first 4,1,10MC2B10 supraicosahedral metallacarboranes and a route to previuosly inaccessible 4,1,12 ruthenium arene species","Chemical Communications","2005","","","","","10.1039/b416646a","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100853","13.0227","0.0003","15.7828","0.0005","13.2204","0.0005","90","","107.465","0.001","90","","2591.99","0.14","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","(aquo-(1,2-bis 4-pyridylethane)copper(ii)) (bis(aquo)tetrakis(4-sulfonatopyridine)copper(ii)","","","- C44 H42 Cu2 N8 O16 S4 -","- C44 H42 Cu2 N8 O16 S4 -","- C88 H84 Cu4 N16 O32 S8 -","2","0.5","","George Shimizu; Leslie J. May","Mutual structure-directing effects of a non-interpenetrated square grid coordination polymer and its complementary complex anion net","Chemical Communications","2005","","","","","10.1039/b417095d","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100854","20.3893","0.0019","29.84","0.003","23.181","0.002","90","","90.746","0.002","90","","14103","2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C188 H168 N8 O4 S4 -","- C188 H168 N8 O4 S4 -","- C752 H672 N32 O16 S16 -","4","1","","Jeremy K. M. Sanders; Thibaut Jarrosson; Amy L. Kieran; Sofia Ioana Pascu","Inclusion of C60 into an adjustable porphyrin dimer generated by dynamic disulfide chemistry","Chemical Communications","2005","","","","","10.1039/b417951j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100950","10.8137","0.001","12.451","0.001","13.061","0.002","68.247","0.005","75.799","0.005","66.262","0.007","1485.6","0.3","102","","102","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H24 N6 -","- C40 H24 N6 -","- C80 H48 N12 -","2","1","","George Newkome; Luis Echegoyen; Frank R. Fronczek; Seok-Ho Hwang; Olena Lukoyanova; Charles N. Moorfield","Construction of Triangular Alkyne Metallomacrocycles: [M3(1,2-Bis(2,2':6',2''-terpyridin-4-ylethynyl)benzene)3][M= Fe(II), Ru(II)]","Chemical Communications","2005","","","","","10.1039/b409348h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277873","2022-09-15","11:31:04",""
"7100951","13.666","0.003","14.295","0.002","19.401","0.005","83.271","0.012","74.874","0.014","74.361","0.012","3518.8","1.4","112","2","112","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H142 Cl2 Cu8 N8 -","- C169.2 H120 Cl Cu8 N16 -","- C169.2 H120 Cl Cu8 N16 -","1","0.5","","Xuan Jiang.; J.C.Bollinger; Mu-Hyun Baik.; Dongwhan Lee.","","Chemical Communications","2005","","","","","10.1039/b412152j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100952","10.9223","0.0008","14.8184","0.0011","11.848","0.0009","90","","91.315","0.002","90","","1917.1","0.2","119","2","119","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 Cu2 N4 -","- C46 H46 Cu2 N4 -","- C92 H92 Cu4 N8 -","2","0.5","","Xuan Jiang.; J.C.Bollinger; Mu-Hyun Baik.; Dongwhan Lee.","","Chemical Communications","2005","","","","","10.1039/b412152j","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100953","22.385","0.004","10.4127","0.0018","22.665","0.004","90","","103.516","0.004","90","","5136.6","1.6","115","2","115","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C52 H56 Cl2 Cu2 F6 N6 Sb -","- C52.6 H52 Cl2 Cu2 F6 N6 Sb -","- C210.4 H208 Cl8 Cu8 F24 N24 Sb4 -","4","0.5","","Xuan Jiang.; J.C.Bollinger; Mu-Hyun Baik.; Dongwhan Lee.","","Chemical Communications","2005","","","","","10.1039/b412152j","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100954","12.562","0.003","21.015","0.004","21.138","0.005","90.899","0.006","104.009","0.008","91.598","0.007","5411","2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H66 Cl2 Cu2 F6 N4 O2 Sb -","- C56.614 H62.428 Cl1.55 Cu2 F6 N4 O1.9285 Sb -","- C226.456 H249.712 Cl6.2 Cu8 F24 N16 O7.714 Sb4 -","4","2","","Xuan Jiang.; J.C.Bollinger; Mu-Hyun Baik.; Dongwhan Lee.","","Chemical Communications","2005","","","","","10.1039/b412152j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100955","8.2187","0.0006","24.1485","0.0017","17.104","0.0012","90","","103.59","0.001","90","","3299.6","0.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 Cl Cu N3 O16 P -","- C24 H39 Cl Cu N3 O16 P -","- C96 H156 Cl4 Cu4 N12 O64 P4 -","4","1","","Abraham Clearfield; Deyuan Kong","Novel Copper Macrocyclic leaflet with N-phosphonomethyl-18-crown-6","Chemical Communications","2005","","","","","10.1039/b412209g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180111","2020-10-21","18:00:00",""
"7100956","17.136","0.0003","17.136","0.0003","47.4916","0.0014","90","","90","","120","","12077.2","0.5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- Cl18 Cs11 H11 O17 Re18 Se12 -","- Cl18 Cs11 O17 Re18 Se12 -","- Cl108 Cs66 O102 Re108 Se72 -","6","0.333333","","Vladimir Fedorov; Svetlana Kozlova; Yu. V. Mironov; N. K. Moroz; D. Y. Naumov; A. Simon; S.F. Solodovnikov; S. S. Yarovoi","Unexpected ligand substitutions in the cluster core {Re6Se8}: synthesis and structure of the novel cluster compound Cs11(H3O)[Re6Se4O4Cl6]3.4H2O","Chemical Communications","2005","","","","","10.1039/b412850h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100957","13.035","0.006","14.36","0.006","25.42","0.01","75.13","0.03","89.45","0.04","83.78","0.04","4571","3","133.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C107 H105 B Cu Fe N9 O5 -","- C107 H105 B Cu Fe N9 O5 -","- C214 H210 B2 Cu2 Fe2 N18 O10 -","2","1","","Yoshinori Naruta; Takefumi Chishiro; Yuichi Shimazaki; Fumito Tani","Selective Formation of a Stable mu-Peroxo Ferric Heme-CuII Complex from the Corresponding mu-Oxo FeIII-CuII Species with Hydrogen Peroxide","Chemical Communications","2005","","","","","10.1039/b413275k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100958","11.6201","0.0009","12.778","0.002","16.848","0.002","85.962","0.003","87.149","0.002","89.264","0.007","2492.2","0.5","163.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H116 K4 O16 S8 -","- C88 H118 K4 O16 S8 -","- C88 H118 K4 O16 S8 -","1","0.5","","Fumio Hamada; Ken Endo; Yoshihiko Kondo","Potassium-Thiacalix[8]arene Assembly: Structure and Guest Sorption Profiles","Chemical Communications","2005","","","","","10.1039/b413373k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100959","10.634","0.005","14.312","0.006","17.706","0.013","95.07","0.07","104.67","0.04","91.17","0.04","2594","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O8 -","- C32 H26 N2 O8 -","- C128 H104 N8 O32 -","4","2","","Philip Gale; Simon J. Brooks; Louise S. Evans; Michael B. Hursthouse; Mark E. Light","'Twisted' isophthalamide analogues","Chemical Communications","2005","","","","","10.1039/b413654c","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100960","15.3919","0.0017","4.9065","0.0005","33.175","0.004","90","","102.202","0.002","90","","2448.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O5 S -","- C30 H24 N2 O5 S -","- C120 H96 N8 O20 S4 -","4","1","","Philip Gale; Simon J. Brooks; Louise S. Evans; Michael B. Hursthouse; Mark E. Light","'Twisted' isophthalamide analogues","Chemical Communications","2005","","","","","10.1039/b413654c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180111","2020-10-21","18:00:00",""
"7100961","18.133","0.005","24.621","0.005","37.774","0.005","90","","90","","90","","16864","6","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H50 Cl4 F N3 O4 -","- C44 H50 Cl4 F N3 O4 -","- C704 H800 Cl64 F16 N48 O64 -","16","2","","Philip Gale; Simon J. Brooks; Louise S. Evans; Michael B. Hursthouse; Mark E. Light","'Twisted' isophthalamide analogues","Chemical Communications","2005","","","","","10.1039/b413654c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100962","9.9885","0.0002","19.6876","0.0003","12.2915","0.0003","90","","107.184","0.001","90","","2309.22","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N2 Si2 Tl -","- C21 H29 N2 Si2 Tl -","- C84 H116 N8 Si8 Tl4 -","4","1","","Cheng, Yanxiang; Hitchcock, Peter B.; Lappert, Michael F.; Zhou, Meisu","Synthesis and characterisation of two monomeric crystalline thallium(I) β-diketiminates","Chemical Communications (Cambridge, United Kingdom)","2005","","6","752","754","10.1039/b413666g","","","","","","","","","","","","","","","","","","","","","has coordinates","211019","2020-10-21","18:00:00",""
"7100963","9.3632","0.0002","12.0547","0.0003","13.6277","0.0003","72.045","0.001","84.102","0.001","88.813","0.001","1455.41","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H41 N2 Tl -","- C33 H41 N2 Tl -","- C66 H82 N4 Tl2 -","2","1","","Cheng, Yanxiang; Hitchcock, Peter B.; Lappert, Michael F.; Zhou, Meisu","Synthesis and characterisation of two monomeric crystalline thallium(I) β-diketiminates","Chemical Communications (Cambridge, United Kingdom)","2005","","6","752","754","10.1039/b413666g","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100964","13.049","0.002","10.632","0.004","23.466","0.009","90","","107.95","0.02","90","","3097.1","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H45 N2 Na O2 Si2 -","- C29 H45 N2 Na O2 Si2 -","- C116 H180 N8 Na4 O8 Si8 -","4","0.5","","Cheng, Yanxiang; Hitchcock, Peter B.; Lappert, Michael F.; Zhou, Meisu","Synthesis and characterisation of two monomeric crystalline thallium(I) β-diketiminates","Chemical Communications (Cambridge, United Kingdom)","2005","","6","752","754","10.1039/b413666g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","211019","2020-10-21","18:00:00",""
"7100965","11.211","0.002","8.6072","0.0016","26.662","0.005","90","","99.71","0.004","90","","2535.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O6 S -","- C25 H29 N O6 S -","- C100 H116 N4 O24 S4 -","4","1","","Shengming Ma; Yangjun Cai; Harong Hou; Xin Jin; Lianghua Lu; Junliang Zhang","NaI-Catalyzed Highly Regioselective Ring-Opening [1+2] Cycloaddition Reaction of Cyclopropenes with Imines. Highly Stereoselective Synthesis of cis-Vinylic Aziridines","Chemical Communications","2005","","","","","10.1039/b413807d","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100966","9.7874","0.0006","11.2168","0.0007","25.7032","0.0018","90","","97.956","0.004","90","","2794.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Fe O2 P Si -","- C29 H37 Fe O2 P Si -","- C116 H148 Fe4 O8 P4 Si4 -","4","1","","Masaaki Okazaki; Kyeong A. Jung; Hiromi Tobita","Regioselective Silylphosphination of Methyl Vinyl Ketone with Complexes Containing Cyclic and Linear Iron-Silicon-Phosphorus Reacting Sites","Chemical Communications","2005","","","","","10.1039/b413861a","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100967","9.6625","0.0007","12.0795","0.0007","12.8947","0.0007","99.7325","0.0014","94.253","0.004","100.425","0.0017","1450.36","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H37 Fe O3 P Si -","- C30 H37 Fe O3 P Si -","- C60 H74 Fe2 O6 P2 Si2 -","2","1","","Masaaki Okazaki; Kyeong A. Jung; Hiromi Tobita","Regioselective Silylphosphination of Methyl Vinyl Ketone with Complexes Containing Cyclic and Linear Iron-Silicon-Phosphorus Reacting Sites","Chemical Communications","2005","","","","","10.1039/b413861a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100968","9.1251","0.0016","15.172","0.002","19.699","0.002","90","","97.714","0.006","90","","2702.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 Fe O2 P Si -","- C29 H37 Fe O2 P Si -","- C116 H148 Fe4 O8 P4 Si4 -","4","1","","Masaaki Okazaki; Kyeong A. Jung; Hiromi Tobita","Regioselective Silylphosphination of Methyl Vinyl Ketone with Complexes Containing Cyclic and Linear Iron-Silicon-Phosphorus Reacting Sites","Chemical Communications","2005","","","","","10.1039/b413861a","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100969","8.804","0.009","10.3","0.02","11.281","0.01","99.78","0.04","98.06","0.04","99.6","0.04","978.5","2.2","213.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C42 H46 O8 S -","- C42.6 H47.8 O8.6 S -","- C42.6 H47.8 O8.6 S -","1","1","","Masakatsu Matsumoto; Koji Hamaoka; Yuji Takashima; Mizuki Yokokawa; Kazutaka Yamada; Nobuko Watanabe; Hisako K. Ijuin","Chemiluminescence in Molecular Recognition: Base-induced Decomposition of Optically Active Dioxetanes Bearing a Bisnaphthol Moiety with a Complex of Optically Active Crown Ether / Potassium t-Butoxide","Chemical Communications","2005","","","","","10.1039/b414001j","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100970","8.992","0.006","10.317","0.007","11.138","0.007","101.179","0.012","96.22","0.01","100.522","0.012","985.5","1.1","233.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C42 H46 O8 S -","- C43 H49 O9 S -","- C43 H49 O9 S -","1","1","","","","Chemical Communications","2005","","","","","10.1039/b414001j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100971","10.94","0.02","13.81","0.06","14.37","0.04","107.52","0.08","95.2","0.07","93.93","0.07","2052","1.2","173.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C41 H44 O6 -","- C48 H44 Cl2 O6 -","- C96 H88 Cl4 O12 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b414001j","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100972","20.437","0.003","12.841","0.004","14.614","0.004","90","","94.52","0.03","90","","3823.2","1.7","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H22 K2 Mg2 O39 U2 -","- C14 H22 K2 Mg2 O39 U2 -","- C56 H88 K8 Mg8 O156 U8 -","4","0.5","","Imaz, Inhar; Bravic, Georges; Sutter, Jean-Pascal","Structural and zeolitic features of a series of heterometallic supramolecular porous architectures based on tetrahedral {M(C2O4)4}4- primary building units.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2681","2687","10.1039/b503964a","","","0.71073","MoKα","","0.0658","0.0482","","","0.1362","0.151","","","","","","1.047","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100973","17.51","0.005","24.761","0.006","19.587","0.005","90","","108.711","0.004","90","","8043.74","","183.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H68 Cl2 N6 O2 -","- C102 H68 Cl2 N6 O2 -","- C408 H272 Cl8 N24 O8 -","4","0.5","","Takahiko Kojima; Ryosuke Harada","A Porphyrin Nanochannel: Formation of Cationic Channels by a Protonated Saddle-distorted Porphyrin and Its Inclusion Behavior","Chemical Communications","2005","","","","","10.1039/b414483j","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100974","8.8846","0.0001","12.7624","0.0002","10.195","0.0002","90","","100.703","0.001","90","","1135.89","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Carreno M. Carmen; Maria Ribagorda; M. Jesus Sanz-Cuesta","Ring Expansion of Sulfur Substituted p-Quinamines: Regiospecific Synthesis of 4-Aminotropones","Chemical Communications","2005","","","","","10.1039/b414666b","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100975","6.9962","0.0017","12.148","0.003","16.572","0.004","90","","90","","90","","1408.5","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 N6 O4 -","- C10 H20 N6 O4 -","- C40 H80 N24 O16 -","4","1","","John Holbrey; Alan R. Katritzky; Kostyantyn Kirichenko; W Matthew Reichert; Robin D. Rogers; Shailendra Singh; Marcin Smiglak","1-Butyl-3-methylimidazolium 3,5-dinitro-1,2,4-triazolate: A novel ionic liquid containing a rigid, planar energetic anion","Chemical Communications","2005","","","","","10.1039/b414683b","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100976","9.22","0.015","9.633","0.011","19.87","0.04","80.13","0.05","91.14","0.08","84.48","0.06","1729","5","140","1","140","1","","","","","","","","3","P -1","-P 1","2","","","","- C81 H115 N7 -","- C81 H115 N7 -","- C81 H115 N7 -","1","0.5","","Michael J. Cook; Andrew Cammidge; David L. Hughes; Fabien Nekelson; Muhibur Rahman","A remarkable side-product from the synthesis of an octaalkyl-phthalocyanine: formation of a tetrabenzotriazaporphyrin","Chemical Communications","2005","","","","","10.1039/b414820g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100977","7.6488","0.0006","7.1371","0.0006","10.9816","0.0009","90","","97.617","0.002","90","","594.2","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H9 N O3 -","- C15 H9 N O3 -","- C30 H18 N2 O6 -","2","1","","Dr Russell J Cox; Dougal J Ritson; Thomas A Dane; John Berge; Jonathan P. H. Charmant; Anob Kantacha","Room Temperature Palladium Catalysed Coupling of Acyl Chlorides with Terminal Alkynes","Chemical Communications","2005","","","","","10.1039/b414826f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100978","10.788","0.003","12.557","0.003","12.734","0.003","90","","105.886","0.006","90","","1659.1","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N2 O4 -","- C42 H38 N2 O4 -","- C84 H76 N4 O8 -","2","0.5","","Stephen Barlow; Mikhail Yu Antipin; Jean-Luc Bredas; Veaceslav Coropceanu; Simon C. Jones; Victor Khrustalev; Tiffany L. Kinnibrugh; Zerubba Levi; Seth R. Marder; Chad Risko; Neil M. Tucker","A mixed-valence bis(diarylamino)stilbene: crystal structure and comparison of electronic coupling with biphenyl and tolane analogues","Chemical Communications","2005","","","","","10.1039/b415018j","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100979","10.5478","0.001","35.449","0.003","11.1632","0.0011","90","","116.442","0.002","90","","3737.3","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 F6 N2 O4 Sb -","- C42 H38 F6 N2 O4 Sb -","- C168 H152 F24 N8 O16 Sb4 -","4","1","","Stephen Barlow; Mikhail Yu Antipin; Jean-Luc Bredas; Veaceslav Coropceanu; Simon C. Jones; Victor Khrustalev; Tiffany L. Kinnibrugh; Zerubba Levi; Seth R. Marder; Chad Risko; Neil M. Tucker","A mixed-valence bis(diarylamino)stilbene: crystal structure and comparison of electronic coupling with biphenyl and tolane analogues","Chemical Communications","2005","","","","","10.1039/b415018j","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100980","11.23","0.007","11.35","0.007","11.881","0.008","81.96","0.02","81.53","0.02","75.33","0.02","1440.7","1.6","113","5","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N4 Pt S2 -","- C31 H34 N4 Pt S2 -","- C62 H68 N8 Pt2 S4 -","2","1","","Hiroshi Nishihara; Shoko Kume; Masaki Murata; Ryota Sakamoto; Hidekazu Sampei; Manabu Sugimoto","Photo-controllable Tristability of a Dithiolato-Bipyridine-Pt(II) Complex Molecule Containing Two Azobenzene Moieties","Chemical Communications","2005","","","","","10.1039/b415293j","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100981","33.57","0.02","7.473","0.004","26.61","0.01","90","","127.801","0.002","90","","5274.9","4.7","113","5","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H23 Cl N4 Pt S2 -","- C29.5 H23 Cl N4 Pt S2 -","- C236 H184 Cl8 N32 Pt8 S16 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b415293j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100982","13.689","0.004","44.935","0.006","16.354","0.004","90","","108.5","0.02","90","","9539","4","203.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H90 F12 Mn N8 O18 -","- C102 H66 F12 Mn N8 O18 -","- C408 H264 F48 Mn4 N32 O72 -","4","1","","Makoto Tadokoro; Masayuki Kozaki; Shin Mizugaki; Keiji Okada","One-Dimensional Void-Space Arrays Constructed from Coordination Polymer with Bowl-Like Frameworks of Cavitands","Chemical Communications","2005","","","","","10.1039/b415374j","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100983","8.707","0.0017","15.226","0.003","15.788","0.005","73.78","0.02","79.44","0.02","76.978","0.016","1941.8","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H53 Fe N9 -","- C40 H53 Fe N9 -","- C80 H106 Fe2 N18 -","2","1","","Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, Willam B.","Molecular N2 complexes of iron stabilised by N-heterocyclic 'pincer' dicarbene ligands","Chemical Communications","2005","","","","","10.1039/b415562a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100984","17.343","0.003","16.989","0.002","27.436","0.004","90","","90","","90","","8084","2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H50 Fe N5 O2 -","- C46 H50 Fe N5 O2 -","- C368 H400 Fe8 N40 O16 -","8","1","","Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, Willam B.","Molecular N2 complexes of iron stabilised by N-heterocyclic 'pincer' dicarbene ligands","Chemical Communications","2005","","","","","10.1039/b415562a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100985","31.84","0.05","8.911","0.012","23.56","0.05","90","","92.3","0.2","90","","6679","20","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H45 Fe N7 -","- C37 H45 Fe N7 -","- C296 H360 Fe8 N56 -","8","1","","Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, Willam B.","Molecular N2 complexes of iron stabilised by N-heterocyclic 'pincer' dicarbene ligands","Chemical Communications","2005","","","","","10.1039/b415562a","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100986","18.2286","0.0017","17.4745","0.0018","13.722","0.0015","90","","90","","90","","4370.9","0.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H60 Fe N7 O P -","- C42 H60 Fe N7 O P -","- C168 H240 Fe4 N28 O4 P4 -","4","1","","Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, Willam B.","Molecular N2 complexes of iron stabilised by N-heterocyclic 'pincer' dicarbene ligands","Chemical Communications","2005","","","","","10.1039/b415562a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277873","2022-09-15","11:31:04",""
"7100987","13.7713","0.0008","28.6597","0.0018","14.9785","0.0009","90","","114.942","0.001","90","","5360.4","0.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H53 Co N4 O10 P3 Yb -","- C55 H51 Co N4 O10 P3 Yb -","- C220 H204 Co4 N16 O40 P12 Yb4 -","4","1","","Rick Wong; Wing-Kit Lo; Wai-Yeung Wong; Xunjin Zhu","Synthesis and crystal structure of the first lanthanide complex of N-confused porphyrin with an (eta)2 agostic C-H interaction","Chemical Communications","2005","","","","","10.1039/b415609a","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100988","13.7562","0.0009","28.5604","0.0019","15.0423","0.001","90","","115.514","0.001","90","","5333.5","0.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H53 Co Er N4 O10 P3 -","- C55 H51 Co Er N4 O10 P3 -","- C220 H204 Co4 Er4 N16 O40 P12 -","4","1","","Rick Wong; Wing-Kit Lo; Wai-Yeung Wong; Xunjin Zhu","Synthesis and crystal structure of the first lanthanide complex of N-confused porphyrin with an (eta)2 agostic C-H interaction","Chemical Communications","2005","","","","","10.1039/b415609a","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100989","8.6005","0.0014","13.217","0.002","18.918","0.003","90","","91.575","0.004","90","","2149.6","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 F6 N2 P Pd -","- C22 H23 F6 N2 P Pd -","- C88 H92 F24 N8 P4 Pd4 -","4","1","","Fabio Ragaini; Emma Gallo; Michela Gasperini; Piero Macchi","Using Ring Strain to Inhibit a Decomposition Path: First Synthesis of an Alkyl-BIAN ligand (Alkyl-BIAN = bis(alkyl) -acenaphthenequinonediimine)","Chemical Communications","2005","","","","","10.1039/b415767b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180111","2020-10-21","18:00:00",""
"7100990","8.68","0.006","7.713","0.007","12.74","0.005","90","","94.38","0.02","90","","850.4","1","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C7 H12 I4 N2 S2 -","- C7 H12 I4 N2 S2 -","- C14 H24 I8 N4 S4 -","2","0.5","","Angela Serpe; Francesco Bigoli; Maria Cristina Cabras; Paolo Fornasiero; Mauro Graziani; M.L. Mercuri; Tiziano Montini; Luca Pilia; Emanuele F. Trogu; Paola Deplano","Pd-Dissolution through a Mild and Effective One-Step Reaction and its Application for Pd-Recovery from Spent Catalytic Converters.","Chemical Communications","2005","","","","","10.1039/b415799k","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100991","27.354","0.005","10.429","0.007","10.823","0.007","90","","91.36","0.02","90","","3087","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 I6 N4 Pd S4 -","- C14 H24 I6 N4 Pd S4 -","- C56 H96 I24 N16 Pd4 S16 -","4","0.5","","Angela Serpe; Francesco Bigoli; Maria Cristina Cabras; Paolo Fornasiero; Mauro Graziani; M.L. Mercuri; Tiziano Montini; Luca Pilia; Emanuele F. Trogu; Paola Deplano","Pd-Dissolution through a Mild and Effective One-Step Reaction and its Application for Pd-Recovery from Spent Catalytic Converters.","Chemical Communications","2005","","","","","10.1039/b415799k","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100992","13.993","0.004","14.312","0.005","14.497","0.003","69.87","0.05","71.17","0.04","73.15","0.05","2527.4","0.1","243.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H33 Cl2 N3 O12 Ru3 -","- C46 H33 Cl2 N3 O12 Ru3 -","- C92 H66 Cl4 N6 O24 Ru6 -","2","1","","Susumu Kitagawa; Shuhei Furukawa; Masaaki Ohba","Rational Synthesis of Two-Dimensional Honeycomb Structure Based on Paramagnetic Paddlewheel Diruthenium Complex","Chemical Communications","2005","","","","","10.1039/b415843a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100993","10.4819","0.0002","11.3759","0.0002","12.199","0.0003","63.438","0.001","72.134","0.001","73.886","0.001","1221.39","0.04","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H47 B4 F16 Fe2 N17 O -","- C35 H47 B4 F16 Fe2 N17 O -","- C35 H47 B4 F16 Fe2 N17 O -","1","0.5","","S. Brooker; John D. Cashion; Marco H. Klingele; Boujemaa Moubaraki; Keith S. Murray","The first X-ray crystal structure determination of a dinuclear complex trapped in the [low spin-high spin] state: [FeII2(PMAT)2](BF4)4 DMF","Chemical Communications","2005","","","","","10.1039/b415891a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100994","11.2253","0.0001","12.1026","0.0002","20.4672","0.0003","105.919","0.001","90.564","0.001","117.119","0.001","2350.23","0.06","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H47 B4 F16 Fe2 N17 O -","- C35 H47 B4 F16 Fe2 N17 O -","- C70 H94 B8 F32 Fe4 N34 O2 -","2","1","","S. Brooker; John D. Cashion; Marco H. Klingele; Boujemaa Moubaraki; Keith S. Murray","The first X-ray crystal structure determination of a dinuclear complex trapped in the [low spin-high spin] state: [FeII2(PMAT)2](BF4)4 DMF","Chemical Communications","2005","","","","","10.1039/b415891a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100995","22.612","0.002","19.954","0.002","41.099","0.004","90","","100.435","0.002","90","","18237","3","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C6 H130 As7 K7 N14 O160 Sn3 W36 -","- C6 As7 K7 O174 Sn3 W36 -","- C24 As28 K28 O696 Sn12 W144 -","4","1","","Ulrich Kortz; Firasat Hussain","Polyoxoanions Functionalized By Diorganotin Groups. 2. The Tetrameric, Chiral Tungstoarsenate(III), [{Sn(CH3)2(H2O)}2{Sn(CH3)2}As3(a-AsW9O33)4]21-","Chemical Communications","2005","","","","","10.1039/b415901b","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100996","9.5117","0.0008","10.3862","0.0009","12.6635","0.0011","66.983","0.002","71.011","0.002","89.38","0.002","1078.99","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Piroxicam and Saccharin molecular complex","","","- C22 H18 N4 O7 S2 -","- C22 H18 N4 O7 S2 -","- C44 H36 N8 O14 S4 -","2","1","","Prashant M. Bhatt; Nittala V. Ravindra; Rahul Banerjee; Gautam R. Desiraju","Saccharin as a salt former. Enhanced solubilities of saccharinates of active pharmaceutical ingredients.","Chemical Communications","2005","","","","","10.1039/b416137h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100997","9.5791","0.0012","26.733","0.003","9.4055","0.0012","90","","109.511","0.002","90","","2270.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Mirtazapine and Saccharin molecular complex water structure","","","- C24 H28 N4 O4.34 S -","- C24 H26.66 N4 O4.33 S -","- C96 H106.64 N16 O17.32 S4 -","4","1","","Prashant M. Bhatt; Nittala V. Ravindra; Rahul Banerjee; Gautam R. Desiraju","Saccharin as a salt former. Enhanced solubilities of saccharinates of active pharmaceutical ingredients.","Chemical Communications","2005","","","","","10.1039/b416137h","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100998","19.0609","0.001","7.2197","0.0004","21.5624","0.0012","90","","113.961","0.002","90","","2711.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Haloperidol and Saccharin molecular complex","","","- C28 H28 Cl F N2 O5 S -","- C28 H28 Cl F N2 O5 S -","- C112 H112 Cl4 F4 N8 O20 S4 -","4","1","","Prashant M. Bhatt; Nittala V. Ravindra; Rahul Banerjee; Gautam R. Desiraju","Saccharin as a salt former. Enhanced solubilities of saccharinates of active pharmaceutical ingredients.","Chemical Communications","2005","","","","","10.1039/b416137h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100999","9.607","0.003","8.634","0.003","30.371","0.009","90","","90","","90","","2519.2","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Quinine and Saccharin molecular complex","","","- C27 H29 N3 O5 S -","- C27 H29 N3 O5 S -","- C108 H116 N12 O20 S4 -","4","1","","Prashant M. Bhatt; Nittala V. Ravindra; Rahul Banerjee; Gautam R. Desiraju","Saccharin as a salt former. Enhanced solubilities of saccharinates of active pharmaceutical ingredients.","Chemical Communications","2005","","","","","10.1039/b416137h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101000","13.0132","0.001","8.6004","0.0007","14.162","0.0011","90","","91.558","0.002","90","","1584.4","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Clarke, Paul A.; Martin, William H. C.; Hargreaves, Jason M.; Wilson, Claire; Blake, Alexander J.","The one-pot, multi-component construction of highly substituted tetrahydropyran-4-ones using the Maitland–Japp reaction","Organic & Biomolecular Chemistry","2005","3","19","3551","","10.1039/b508252h","","","","","","","","","","","","","","","","","","","","","has coordinates","282904","2023-04-28","18:18:01",""
"7101001","5.5429","0.0005","9.5351","0.0008","15.1955","0.0013","82.937","0.002","85.273","0.002","77.19","0.002","775.9","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Clarke, Paul A.; Martin, William H. C.; Hargreaves, Jason M.; Wilson, Claire; Blake, Alexander J.","The one-pot, multi-component construction of highly substituted tetrahydropyran-4-ones using the Maitland–Japp reaction","Organic & Biomolecular Chemistry","2005","3","19","3551","","10.1039/b508252h","","","","","","","","","","","","","","","","","","","","","has coordinates","282904","2023-04-28","18:18:02",""
"7101002","15.6847","0.0014","16.7136","0.0014","21.813","0.002","100.469","0.007","97.728","0.007","116.274","0.006","4890.1","0.7","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H164 Au3 B33 Cl2 N3 P3 Sn3 -","- C55 H164 Au3 B33 Cl2 N3 P3 Sn3 -","- C110 H328 Au6 B66 Cl4 N6 P6 Sn6 -","2","1","","S. Hagen; L. Wesemann; I. Pantenburg","Formation of Novel Anionic Gold-Tin Cluster Compounds","Chemical Communications","2005","","","","","10.1039/b416472e","","","","","","","0.0412","","","0.0801","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101003","15.5926","0.0013","15.5891","0.0013","17.4837","0.0016","68.083","0.007","64.03","0.006","74.245","0.007","3514.7","0.5","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H208 Au4 B44 N4 P4 Sn4 -","- C102 H88 Au4 B44 N4 P4 Sn4 -","- C102 H88 Au4 B44 N4 P4 Sn4 -","1","0.5","","S. Hagen; L. Wesemann; I. Pantenburg","Formation of Novel Anionic Gold-Tin Cluster Compounds","Chemical Communications","2005","","","","","10.1039/b416472e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101004","12.2625","0.0007","12.7572","0.0008","14.0939","0.0011","111.989","0.003","101.73","0.004","102.1","0.003","1900","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Br2 Cl N2 O2 Ta -","- C38 H48 Br2 Cl N2 O2 Ta -","- C76 H96 Br4 Cl2 N4 O4 Ta2 -","2","1","","Rex Corbin; Brandon E. Dusick; Phillip E. Fanwick; Khamphee Phomphrai; Ian Rothwell","Regioselective insertion of 2-vinylpyridine in niobium and tantalum aryloxide complexes: an alternate route to pyridylalkyl metallacycles","Chemical Communications","2005","","","","","10.1039/b416536e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101005","12.133","0.0003","12.3876","0.0003","13.9642","0.0004","98.863","0.001","115.424","0.001","101.169","0.001","1791.75","0.18","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Cl N2 O2 Ta -","- C38 H50 Cl N2 O2 Ta -","- C76 H100 Cl2 N4 O4 Ta2 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b416536e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101006","11.4442","0.0004","11.7997","0.0004","17.5214","0.0005","82.0975","0.0019","84.3171","0.0018","75.1193","0.0017","2259.97","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H46 Cl2 N O2 Ta -","- C55 H46 Cl2 N O2 Ta -","- C110 H92 Cl4 N2 O4 Ta2 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b416536e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101007","16.465","0.001","13.6886","0.0007","18.7548","0.0009","90","","107.699","0.003","90","","4026.9","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H59 Cl N Nb O3 -","- C43 H59 Cl N Nb O3 -","- C172 H236 Cl4 N4 Nb4 O12 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b416536e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101008","10.9404","0.0002","16.9293","0.0002","24.5836","0.0003","70.187","0.001","83.689","0.001","75.243","0.001","4140.99","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C90.5 H127 N6 Tm -","- C90.5 H123 N6 Tm -","- C181 H246 N12 Tm2 -","2","1","","M. Lappert; P. B. Hitchcock; Andrey Protchenko","New reactions of beta-diketiminatolanthanoid complexes: sterically induced self-deprotonation of beta-diketiminato ligands","Chemical Communications","2005","","","","","10.1039/b416549g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277873","2022-09-15","11:31:04",""
"7101009","27.9702","0.0003","19.9944","0.0003","27.917","0.0004","90","","98.971","0.001","90","","15421.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H82 B F20 N4 Tm -","- C82 H82 B F20 N4 Tm -","- C656 H656 B8 F160 N32 Tm8 -","8","2","","","","Chemical Communications","2005","","","","","10.1039/b416549g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101010","11.3492","0.0002","12.1384","0.0002","16.5846","0.0003","89.975","0.001","97.414","0.001","93.14","0.001","2262.16","0.07","223","2","173","2","","","","","","","","5","P -1","-P 1","2","(Pb(Me3SiNCPhCHCPhNSiMe3)2)","","","- C42 H58 N4 Pb Si4 -","- C42 H58 N4 Pb Si4 -","- C84 H116 N8 Pb2 Si8 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b416549g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101011","11.2608","0.0001","12.8457","0.0002","16.0891","0.0003","89.62","0.001","86.087","0.001","79.121","0.001","2280.13","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H57 N4 Si4 Yb -","- C42 H57 N4 Si4 Yb -","- C84 H114 N8 Si8 Yb2 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b416549g","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101012","11.2433","0.0002","12.9389","0.0002","16.2117","0.0002","89.319","0.001","86.149","0.001","79.253","0.001","2311.81","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","(Yb(Me3SiNCPhCHCPhNSiMe3)(CH2SiMe2NCPhCHCPhNSiMe3))","","","- C42 H57 N4 Si4 Yb -","- C42 H54.92 N4 Si4 Yb -","- C84 H109.84 N8 Si8 Yb2 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b416549g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7101013","25.301","0.011","16.334","0.007","30.568","0.014","90","","110.18","0.019","90","","11857","9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H160 F8 Fe7 Mn N O32 -","- C86 H160 F8 Fe7 Mn N O32 -","- C344 H640 F32 Fe28 Mn4 N4 O128 -","4","1","","Richard Winpenny; H. Gudel; F. K. Larsen; Rebecca H. Laye; E. McInnes; Chris Muryn; J. Overgaard; Eva Rentschler; Veronica Sanchez; S. J. Teat; Grigore A. Timco; Oliver Waldmann","A Family of Heterometallic Wheels Containing Potentially Fourteen Hundred Siblings","Chemical Communications","2005","","","","","10.1039/b416770h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180112","2020-10-21","18:00:00",""
"7101014","26.041","0.003","20.515","0.002","26.199","0.003","90","","110.125","0.003","90","","13142","2","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C86 H160 F8 Fe8 N O32 -","- C86 H160 F8 Fe8 N O32 -","- C344 H640 F32 Fe32 N4 O128 -","4","1","","Richard Winpenny; H. Gudel; F. K. Larsen; Rebecca H. Laye; E. McInnes; Chris Muryn; J. Overgaard; Eva Rentschler; Veronica Sanchez; S. J. Teat; Grigore A. Timco; Oliver Waldmann","A Family of Heterometallic Wheels Containing Potentially Fourteen Hundred Siblings","Chemical Communications","2005","","","","","10.1039/b416770h","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101015","12.693","0.004","20.039","0.005","14.166","0.004","90","","109.659","0.004","90","","3393.3","1.6","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H84 B4 F16 Mo2 N12 Ni4 S8 -","- C44 H84 B4 F15.984 Mo2 N12 Ni4 S8 -","- C88 H168 B8 F31.968 Mo4 N24 Ni8 S16 -","2","0.5","","Marcetta Darensbourg; Stephen P. Jeffery; Jonghyuk Lee","Metallodithiolato Ligands as Bridges in Multiply Bonded Dimolybdenum Complexes","Chemical Communications","2005","","","","","10.1039/b416898d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180112","2020-10-21","18:00:00",""
"7101016","11.319","0.005","23.77","0.01","13.822","0.006","90","","96.057","0.008","90","","3698","3","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H98 B4 F16 Mo2 N14 Ni4 S8 -","- C52 H98 B4 F16 Mo2 N14 Ni4 S8 -","- C104 H196 B8 F32 Mo4 N28 Ni8 S16 -","2","0.5","","Marcetta Darensbourg; Stephen P. Jeffery; Jonghyuk Lee","Metallodithiolato Ligands as Bridges in Multiply Bonded Dimolybdenum Complexes","Chemical Communications","2005","","","","","10.1039/b416898d","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101017","17.1632","0.0005","8.1574","0.0003","17.4311","0.0006","90","","120.678","0.0013","90","","2098.9","","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N6 O2 S4 Zn -","- C12 H26 N6 O2 S4 Zn -","- C48 H104 N24 O8 S16 Zn4 -","4","1","","J. Dilworth; Andrew R. Cowley; Jason Davis; Rachel Dobson; Paul S. Donnelly; David Kerr; Adrian Nightingale; J.M.Peach; Len Seymour; Ben Shore","Fluorescence studies of the intra-cellular distribution of zinc bis(thiosemicarbazone) complexes in human cancer cells","Chemical Communications","2005","","","","","10.1039/b417206j","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101018","7.8934","0.0003","8.5558","0.0003","14.1976","0.0005","74.579","0.0015","87.2903","0.0016","85.2071","0.0019","920.76","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 Cl N6 S2 Zn -","- C14 H23 Cl N6 S2 Zn -","- C28 H46 Cl2 N12 S4 Zn2 -","2","1","","","","Chemical Communications","2005","","","","","10.1039/b417206j","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101019","8.4474","0.0006","13.9712","0.001","40.105","0.003","90","","90","","90","","4733.2","0.6","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[PhClBTMe][OTf]","","","- C21 H13 Cl F3 N5 O3 S3 -","- C21 H13 Cl F3 N5 O3 S3 -","- C168 H104 Cl8 F24 N40 O24 S24 -","8","1","","Richard Oakley; Leanne Beer; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Robert W. Reed; John F. Richardson; Donald G. VanderVeer","Resonance stabilized bis-thiadiazinyl radicals","Chemical Communications","2005","","","","","10.1039/b417236a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101020","3.9232","0.0008","27.527","0.006","16.378","0.003","90","","90.17","0.03","90","","1768.7","0.6","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[PhClBTMe]","","","- C20 H13 Cl N5 S2 -","- C20 H13 Cl N5 S2 -","- C80 H52 Cl4 N20 S8 -","4","1","","Richard Oakley; Leanne Beer; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Robert W. Reed; John F. Richardson; Donald G. VanderVeer","Resonance stabilized bis-thiadiazinyl radicals","Chemical Communications","2005","","","","","10.1039/b417236a","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101021","10.7459","0.0002","11.0754","0.0003","15.1601","0.0005","70.935","0.001","71.461","0.001","61.437","0.002","1469.05","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H11 N5 -","- C16 H11 N5 -","- C64 H44 N20 -","4","2","","Francois Diederich; Ivan Biaggio; Corinne Boudon; Jean-Paul Gisselbrecht; Maurice Gross; J.H. Lim; Joshua C. May; Tsuyoshi Michinobu; Paul Seiler","A new class of organic donor-acceptor molecules with large third-order optical nonlinearities","Chemical Communications","2005","","","","","10.1039/b417393g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101022","7.3661","0.0001","9.5653","0.0002","20.869","0.0004","91.58","0.008","95.014","0.007","92.986","0.009","1462.03","0.05","263","2","263","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Cl4 N6 -","- C28 H24 Cl4 N6 -","- C56 H48 Cl8 N12 -","2","1","","Francois Diederich; Ivan Biaggio; Corinne Boudon; Jean-Paul Gisselbrecht; Maurice Gross; J.H. Lim; Joshua C. May; Tsuyoshi Michinobu; Paul Seiler","A new class of organic donor-acceptor molecules with large third-order optical nonlinearities","Chemical Communications","2005","","","","","10.1039/b417393g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101023","15.0448","0.0007","15.9323","0.0008","17.13","0.0008","90","","90","","90","","4106","0.3","220","2","220","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N6 -","- C24 H20 N6 -","- C192 H160 N48 -","8","1","","Francois Diederich; Ivan Biaggio; Corinne Boudon; Jean-Paul Gisselbrecht; Maurice Gross; J.H. Lim; Joshua C. May; Tsuyoshi Michinobu; Paul Seiler","A new class of organic donor-acceptor molecules with large third-order optical nonlinearities","Chemical Communications","2005","","","","","10.1039/b417393g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101024","4.0006","0.0003","17.9661","0.001","17.145","0.002","90","","96.308","0.003","90","","1224.85","0.18","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","Francois Diederich; Ivan Biaggio; Corinne Boudon; Jean-Paul Gisselbrecht; Maurice Gross; J.H. Lim; Joshua C. May; Tsuyoshi Michinobu; Paul Seiler","A new class of organic donor-acceptor molecules with large third-order optical nonlinearities","Chemical Communications","2005","","","","","10.1039/b417393g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101103","22.879","0.007","25.283","0.007","8.125","0.002","90","","90.353","0.006","90","","4700","2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tris(3,6-bis(2-pyridinyl-N3,N6)(1,2,4,5-tetrazine- N1,N2))disilver(i) bis(hexafluoroarsenate) acetonitrile solvate","tris(3,6-bis(2-pyridinyl-N3,N6)(1,2,4,5-tetrazine-N1,N2))disilver(I) bis(hexafluoroarsenate) acetonitrile solvate","","- C40 H30 Ag2 As2 F12 N20 -","- C40 H30 Ag2 As2 F12 N20 -","- C160 H120 Ag8 As8 F48 N80 -","4","1","","Kim Dunbar; John Bacsa; Brandi L. Schottel","Anion Dependence of Ag(I) reactions with 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine (bptz): Isolation of the molecular propeller compound [Ag2(bptz)3][AsF6]2.","Chemical Communications","2005","","1","","","10.1039/b410811f","","","0.71073","MoKα","","0.0442","0.0342","","","0.075","0.0792","","","","","","0.996","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101104","26.9174","0.0013","26.9174","0.0013","12.7329","0.0009","90","","90","","90","","9225.6","0.9","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C58 H172 I46 N18 Sn13 -","- C58 H144 I46 N18 Sn13 -","- C116 H288 I92 N36 Sn26 -","2","0.125","","Arnold Guloy; Jun Guan; Zhongjia Tang","[H3N(CH2)7NH3]8(CH3NH3)2 Sn(IV)Sn(II)12I46 - A Mixed-valent Hybrid Compound with a Uniquely Templated Defect-Perovskite Structure","Chemical Communications","2005","","1","","","10.1039/b411322e","","","0.71073","MoKα","","0.0689","0.0527","","0.132","0.1102","","","","1.223","1.242","1.242","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7101105","9.837","0.002","12.119","0.002","14.101","0.003","101.85","0.03","105.13","0.03","114.56","0.03","1378.5","0.5","140","1","140","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Fe4 O8 S6 -","- C18 H18 Fe4 O8 S6 -","- C36 H36 Fe8 O16 S12 -","2","1","","Christopher John Pickett; David L. Hughes; Xiaoming Liu; Cedric Tard","A Novel {FeI-FeII-FeII-FeI} Iron Thiolate Carbonyl Assembly which Electrocatalyses Hydrogen Evolution","Chemical Communications","2005","","1","","","10.1039/b411559g","","","0.71073","Mo-Kα","","0.0853","0.0535","","","0.1253","0.1355","","","","","","0.936","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101106","16.574","0.004","13.868","0.003","18.762","0.004","90","","95.71","0.02","90","","4291.2","1.6","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Si4 -","- C40 H60 Si4 -","- C160 H240 Si16 -","4","1","","Henry N.C. Wong; Siu Hin Chan; Xiao-Ming Chen; Nan Yan Fu; Hung Kay Lee; Yu Man Wang","A Soluble Pentacene: Synthesis, EPR and Electrochemical Studies of 2,3,9,10-Tetrakis(trimethylsilyl)pentacene","Chemical Communications","2005","","1","","","10.1039/b411831f","","","0.71073","MoKα","","0.0818","0.067","","","0.1915","0.2088","","","","","","1.069","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101107","9.253","0.0009","11.708","0.0012","17.241","0.002","79.49","0.013","78.107","0.013","68.481","0.011","1688.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Fe N4 Ni O2 S10 -","- C26 H24 Fe N4 Ni O2 S10 -","- C52 H48 Fe2 N8 Ni2 O4 S20 -","2","1","","Christophe Faulmann; Stephane Dorbes; Jose A. Real; Lydie Valade","[Fe(sal2-trien)][Ni(dmit)2]: Towards Switchable Spin Crossover Molecular Conductors","Chemical Communications","2005","","1","","","10.1039/b412182a","","","0.71069","MoKα","","0.0582","0.0468","","","0.1152","0.1227","","","","","","0.972","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101108","8.888","0.001","12.252","0.0014","15.911","0.002","81.612","0.015","82.187","0.015","74.322","0.013","1641.8","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Fe N4 Ni O2 S10 -","- C26 H24 Fe N4 Ni O2 S10 -","- C52 H48 Fe2 N8 Ni2 O4 S20 -","2","1","","Christophe Faulmann; Stephane Dorbes; Jose A. Real; Lydie Valade","[Fe(sal2-trien)][Ni(dmit)2]: Towards Switchable Spin Crossover Molecular Conductors","Chemical Communications","2005","","1","","","10.1039/b412182a","","","0.71069","MoKα","","0.0835","0.0432","","","0.0912","0.1011","","","","","","0.865","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101109","20.9927","0.0004","12.0115","0.0002","12.1022","0.0002","90","","90","","90","","3051.6","0.1","150","","150","","","","","","","","?","5","P n a 21","P 2c -2n","33","","[Zr{MeN(CH2CH2CH2NSiMe3)2}(CH2Ph)2]","","- C27 H47 N3 Si2 Zr -","- C27 H47 N3 Si2 Zr -","- C108 H188 N12 Si8 Zr4 -","4","1","","T.A.Lowes; B.D.Ward; R.A.Whannel; S.R.Dubberley,; P.Mountford","","Chemical Communications","2005","","1","","","10.1039/b412381f","","","0.71073","MoKα","","","0.0273","","","","0.0262","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7101110","9.844","0.003","11.3","0.004","13.009","0.005","86.592","0.007","71.976","0.006","82.823","0.007","1365","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H22 N2 O5 P Re -","- C31 H22 N2 O5 P Re -","- C62 H44 N4 O10 P2 Re2 -","2","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Víctor; Rodríguez, Elena; Miguel, Daniel","Activation of a 1,10-phenanthroline ligand on a rhenium tricarbonyl complex","Chemical Communications (Cambridge, United Kingdom)","2005","","1","116","117","10.1039/b412447b","","","0.71073","MoKα","","0.0371","0.0317","","","0.0782","0.0815","","","","","","1.058","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101111","25.629","0.006","9.692","0.002","24.818","0.005","90","","90.334","0.004","90","","6165","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31.25 H24.5 Cl0.5 N2 O5 P Re -","- C31.25 H24.5 Cl0.5 N2 O5 P Re -","- C250 H196 Cl4 N16 O40 P8 Re8 -","8","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Víctor; Rodríguez, Elena; Miguel, Daniel","Activation of a 1,10-phenanthroline ligand on a rhenium tricarbonyl complex","Chemical Communications (Cambridge, United Kingdom)","2005","","1","116","117","10.1039/b412447b","","","0.71073","MoKα","","0.0876","0.0463","","","0.0857","0.093","","","","","","1.052","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101112","12.1508","0.0006","15.516","0.0007","18.0125","0.0008","94.308","0.003","101.526","0.002","106.457","0.002","3159.6","0.3","173","2","173","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C87.5 H20 F38 -","- C87.5 F38 -","- C175 F76 -","2","1","","Roger Taylor; Anthony G. Avent; Peter B. Hitchcock; Natalia Martsinovich; Pavel A. Troshin","C2 C70F38 is aromatic, contains three planar hexagons, and has equatorial addends","Chemical Communications","2005","","1","","","10.1039/b412599a","","x-ray","0.71073","MoKα","","0.2132","0.1102","","","0.2671","0.3237","","","","","","1.052","","","","has coordinates,has disorder","277870","2022-09-15","11:09:06",""
"7101113","14.9232","0.001","11.0214","0.001","23.44","0.003","90","","93.397","0.001","90","","3848.6","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H58 Al Cl N2 O3 -","- C39 H58 Al Cl N2 O3 -","- C156 H232 Al4 Cl4 N8 O12 -","4","2","","Malcolm Chisholm; Nathan J. Patmore","Concerning the relative importance of enantiomorphic site versus chain end control in the stereoselective polymerization of lactides: reactions of (R,R-salen)- and (S,S-salen)-aluminum alkoxides LAlOCH2R complexes (R == CH3 and S-CHMeCl)","Chemical Communications","2005","","1","","","10.1039/b413266a","","","0.71073","MoKα","","0.0749","0.0508","","","0.1237","0.1364","","","","","","1.021","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101114","14.927","0.001","10.941","0.001","23.393","0.003","90","","93.69","0.01","90","","3812.5","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H58 Al Cl N2 O3 -","- C39 H58 Al Cl N2 O3 -","- C156 H232 Al4 Cl4 N8 O12 -","4","2","","Malcolm Chisholm; Nathan J. Patmore","Concerning the relative importance of enantiomorphic site versus chain end control in the stereoselective polymerization of lactides: reactions of (R,R-salen)- and (S,S-salen)-aluminum alkoxides LAlOCH2R complexes (R == CH3 and S-CHMeCl)","Chemical Communications","2005","","1","","","10.1039/b413266a","","","0.71073","MoKα","","0.0852","0.0555","","","0.1321","0.1467","","","","","","1.02","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101115","32.464","0.002","32.464","","9.9286","0.0007","90","","90","","90","","10463.7","1","113","2","113","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C29 H36 Cl N2 Rh -","- C29 H36 Cl N2 Rh -","- C464 H576 Cl16 N32 Rh16 -","16","1","","Evans, P. Andrew; Baum, Erich W.; Fazal, Aleem N.; Pink, Maren","Diastereoselective metal-catalyzed [4+2+2] carbocyclization reactions utilizing a rhodium(I) N-heterocyclic carbene (NHC) complex: the first example of a rhodium(I)-NHC-catalyzed carbocyclization","Chemical Communications","2005","","1","","","10.1039/b413438a","","","0.71073","MoKα","","0.0385","0.0276","","","0.0635","0.069","","","","","","1.033","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101116","11.1295","0.0009","10.5003","0.0009","24.1594","0.0018","90","","94.137","0.002","90","","2816","0.4","118","2","118","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl2 N3 O8 S -","- C27 H29 Cl2 N3 O8 S -","- C108 H116 Cl8 N12 O32 S4 -","4","1","","Evans, P. Andrew; Baum, Erich W.; Fazal, Aleem N.; Pink, Maren","Diastereoselective metal-catalyzed [4+2+2] carbocyclization reactions utilizing a rhodium(I) N-heterocyclic carbene (NHC) complex: the first example of a rhodium(I)-NHC-catalyzed carbocyclization","Chemical Communications","2005","","1","","","10.1039/b413438a","","","0.71073","MoKα","","0.0549","0.0465","","","0.1369","0.1423","","","","","","1.071","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101117","13.3244","0.0014","7.2183","0.0008","30.905","0.003","90","","100.27","0.003","90","","2924.8","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N3 O8 S -","- C32 H31 N3 O8 S -","- C128 H124 N12 O32 S4 -","4","1","","Evans, P. Andrew; Baum, Erich W.; Fazal, Aleem N.; Pink, Maren","Diastereoselective metal-catalyzed [4+2+2] carbocyclization reactions utilizing a rhodium(I) N-heterocyclic carbene (NHC) complex: the first example of a rhodium(I)-NHC-catalyzed carbocyclization","Chemical Communications","2005","","1","","","10.1039/b413438a","","","0.71073","MoKα","","0.0594","0.0405","","","0.0983","0.1045","","","","","","0.928","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101118","15.0839","0.0017","16.3794","0.0019","17.959","0.002","112.343","0.002","103.301","0.002","92.272","0.002","3953.9","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H134 Ca2 Mn13 N10 O54 -","- C128 H90 Ca2 Mn13 O54 -","- C128 H90 Ca2 Mn13 O54 -","1","0.5","","Mishra, Abhudaya; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Christou, George","The first high oxidation state manganese/calcium cluster: relevance to the water oxidizing complex of photosynthesis","Chemical Communications","2005","","1","54","56","10.1039/b413680b","","","0.71073","MoKα","","0.1859","0.0906","","","0.2168","0.2486","","","","","","0.856","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7101119","5.2228","0.0007","6.4109","0.0009","8.5169","0.0012","101.107","0.002","94.34","0.002","102.48","0.002","271.16","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Cu2 H4 Na2 O13 Si4 -","- Cu2 H4 Na2 O13 Si4 -","- Cu2 H4 Na2 O13 Si4 -","1","0.5","","Brandao, P.; Almeida Paz, Filipe A.; Rocha, Joao","A Novel Microporous Copper Silicate: Na2Cu2Si4O11.2H2O","Chemical Communications","2005","","2","","","10.1039/b410731d","","","0.71073","MoKα","","0.0292","0.0233","","","0.0581","0.061","","","","","","1.066","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101120","24.843","0.003","11.9405","0.0016","21.403","0.003","90","","96.907","0.002","90","","6302.7","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H72 K2 N4 Ni O12 Pb10 -","- C36 H72 K2 N4 Ni O12 Pb10 -","- C144 H288 K8 N16 Ni4 O48 Pb40 -","4","0.5","","Bryan Eichhorn; James C. Fettinger; Emren Nalbant Esenturk","The closo-Pb102- Zintl Ion in the [Ni@Pb10]2- cluster","Chemical Communications","2005","","2","","","10.1039/b412082e","","","0.71073","MoKα","","0.0827","0.0582","","","0.1645","0.1764","","","","","","1.06","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101121","14.1678","0.0002","14.515","0.0002","28.0396","0.0004","104.525","0.0008","94.2109","0.0008","92.3985","0.0005","5555.98","0.14","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C124 H164 F2 N10 O2 -","- C124 H164 F2 N10 O2 -","- C248 H328 F4 N20 O4 -","2","1","","Paul D. Beer; Andrew Cowley; David Curiel","Indolocarbazoles: a new family of anion sensors","Chemical Communications","2005","","2","","","10.1039/b412363h","","","0.71073","MoKα","","0.1841","0.079","","0.1094","0.0839","0.0839","","","","","","1.1383","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101122","8.3402","0.0002","16.5722","0.0005","23.5914","0.0007","90","","90.7479","0.0013","90","","3260.42","0.16","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 Cl N3 -","- C36 H52 Cl N3 -","- C144 H208 Cl4 N12 -","4","1","","Paul D. Beer; Andrew Cowley; David Curiel","Indolocarbazoles: a new family of anion sensors","Chemical Communications","2005","","2","","","10.1039/b412363h","","","0.71073","MoKα","","0.0905","0.0478","","0.0645","0.0566","0.0566","","","","","","1.0934","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101123","12.644","0.0011","9.768","0.0008","15.266","0.0011","90","","96.853","0.004","90","","1872","0.3","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 N O3 P -","- C19 H26 N O3 P -","- C76 H104 N4 O12 P4 -","4","1","","Heinicke, Joachim; Peulecke, Norman; Jones, Peter G.","Novel alpha-functionally substituted amino acids: diphenylphosphinoglycines","Chemical Communications","2005","","2","","","10.1039/b412860e","","","0.71073","MoKα","","0.0518","0.0339","","","0.0888","0.0948","","","","","","1.03","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101124","19.1229","0.0009","18.9722","0.0006","25.0598","0.0009","90","","110.156","0.004","90","","8535","0.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 B Cl7 N6 P Rh S3 -","- C30 H30 B Cl N6 P Rh S3 -","- C240 H240 B8 Cl8 N48 P8 Rh8 S24 -","8","2","","Crossley, Ian R.; Foreman, Mark R. St.-J.; Hill, Anthony Francis; White, Andrew J. P.; Williams, David J.","The first rhodaboratrane: [RhCl(PPh3){B(mt)3}](Rh→B) (mt = methimazolyl)","Chemical Communications (Cambridge, United Kingdom)","2005","","2","221","223","10.1039/b413305f","","","1.54178","CuKα","","0.0747","0.0454","","","0.1001","0.1098","","","","","","0.881","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101125","10.2291","0.0005","10.2291","0.0005","33.6643","0.0018","90","","90","","120","","3050.5","0.3","180","2","180","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H30 Al2 Fe N6 -","- C32 H30 Al2 Fe N6 -","- C96 H90 Al6 Fe3 N18 -","3","0.166667","","Dominic S. Wright; Carmen Soria Alvarez; Felipe Garcia; Alexander Hopkins; Simon M. Humphrey; Richard A. Kowenicki; Richard A. Layfield; M. McPartlin; Robert Raja; Michael C. Rogers; Anthony Woods","A Simple Route to Heterometallic Transition Metal/Aluminium(III) Complexes via Transfer of the [MeAl(2-py)3]- anion (2-py== 2-pyridyl)","Chemical Communications","2005","","2","","","10.1039/b413488e","","","0.71073","MoKα","","0.0451","0.0419","","","0.1109","0.1127","","","","","","1.077","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101126","9.2658","0.0019","24.167","0.005","15.877","0.003","90","","91.97","0.03","90","","3553.1","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H38 Al2 Mn N6 O -","- C36 H38 Al2.2 Mn1.2 N6 O -","- C144 H152 Al8.8 Mn4.8 N24 O4 -","4","1","","Dominic S. Wright; Carmen Soria Alvarez; Felipe Garcia; Alexander Hopkins; Simon M. Humphrey; Richard A. Kowenicki; Richard A. Layfield; M. McPartlin; Robert Raja; Michael C. Rogers; Anthony Woods","A Simple Route to Heterometallic Transition Metal/Aluminium(III) Complexes via Transfer of the [MeAl(2-py)3]- anion (2-py== 2-pyridyl)","Chemical Communications","2005","","2","","","10.1039/b413488e","","","0.71073","MoKα","","0.0745","0.0691","","","0.1732","0.1786","","","","","","1.051","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101127","7.2693","0.0006","7.7618","0.0007","8.7263","0.0007","80.624","0.002","72.296","0.002","85.313","0.002","462.51","0.07","193","2","193","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H19 I N2 O4 S2 -","- C15 H19 I N2 O4 S2 -","- C15 H19 I N2 O4 S2 -","1","1","","Scott Miller; Jarred T. Blank; Jason E. Imbriglio; Steven M. Mennen; Michelle B. Tran","A Peptide-Catalyzed Asymmetric Stetter Reaction","Chemical Communications","2005","","2","","","10.1039/b414574g","","","0.71073","MoKα","","0.019","0.019","","","0.0477","0.0477","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101128","15.634","0.003","16.604","0.003","18.257","0.004","70.34","0.03","85.79","0.03","69.34","0.03","4170.6","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H105 K4 N57 Ni12 O33 -","- C98 H88 K4 N57 Ni12 O33 -","- C98 H88 K4 N57 Ni12 O33 -","1","0.5","","Tong, Ming-Liang; Monfort, Montserrat; Juan, Juan Modesto Clemente; Chen, Xiao-Ming; Bu, Xian-He; Ohba, Masaaki; Kitagawa, Susumu","A novel high-spin heterometallic Ni12K4cluster incorporating large Ni‒azide circles and an in situ cyanomethylated di-2-pyridyl ketone","Chemical Communications (Cambridge, United Kingdom)","2005","","2","233","235","10.1039/b415431b","","","0.71073","MoKα","","0.1215","0.0861","","","0.271","0.2925","","","","","","1.062","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101129","13.43","0.0008","13.5957","0.0009","16.3025","0.001","108.026","0.002","98.526","0.002","95.226","0.002","2769.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H82.5 N8 O27.25 S5 -","- C38 H82.494 N8 O27.247 S5 -","- C76 H164.988 N16 O54.494 S10 -","2","1","","Kristin Bowman-James; Md.Alamgir Hossain; Sung Ok Kang; Douglas R. Powell","Encapsulated sulphates: Insight to binding propensities","Chemical Communications","2005","","3","","","10.1039/b411904e","","","0.71073","MoKα","","0.0435","0.0392","","","0.107","0.1106","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101130","12.402","0.002","14.566","0.003","22.629","0.005","90","","97.793","0.004","90","","4050.1","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 N12 O12 S -","- C35 H48 N12 O12 S -","- C140 H192 N48 O48 S4 -","4","1","","Kristin Bowman-James; Md.Alamgir Hossain; Sung Ok Kang; Douglas R. Powell","Encapsulated sulphates: Insight to binding propensities","Chemical Communications","2005","","3","","","10.1039/b411904e","","","0.71073","MoKα","","0.1102","0.0637","","","0.1606","0.179","","","","","","0.899","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101131","11.2193","0.0017","18.897","0.003","16.872","0.003","90","","106.173","0.003","90","","3435.6","0.9","300","2","300","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C68 H92 N8 Ru2 S2 Si2 -","- C66.989 H52 N8 Ru2 S2 Si2 -","- C133.978 H104 N16 Ru4 S4 Si4 -","2","0.5","","Angel Kaifer; Tong Ren; David R. Sobransingh; Guo-Lin Xu; Jie-Wen Ying","Sulfide-capped Wire-like Metallaynes As Connectors for Au Nanoparticle Assemblies","Chemical Communications","2005","","3","","","10.1039/b412336k","","","0.71073","MoKα","","0.0691","0.0405","","","0.0951","0.1143","","","","","","1.059","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101132","12.9758","0.0012","13.84","0.0012","14.2445","0.0013","106.95","0.002","104.661","0.002","107.477","0.002","2165.2","0.3","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H108 N8 O4 Ru2 S2 Si2 -","- C86.962 H105.578 N8 O4 Ru2 S2 Si2 -","- C86.962 H105.578 N8 O4 Ru2 S2 Si2 -","1","0.5","","Angel Kaifer; Tong Ren; David R. Sobransingh; Guo-Lin Xu; Jie-Wen Ying","Sulfide-capped Wire-like Metallaynes As Connectors for Au Nanoparticle Assemblies","Chemical Communications","2005","","3","","","10.1039/b412336k","","","0.71073","MoKα","","0.1047","0.0603","","","0.1194","0.1315","","","","","","1.019","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101133","16.356","0.006","11.871","0.004","15.296","0.005","90","","114.333","0.007","90","","2706","1.7","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl N3 O S -","- C14 H12 Cl N3 O S -","- C112 H96 Cl8 N24 O8 S8 -","8","1","","Sonia Macho; Daniel Miguel; Ana G. Neo; Teresa Rodriguez; Tomas Torroba","Cyclopentathiadiazines, new heterocyclic materials from cyclic enaminonitriles","Chemical Communications","2005","","3","","","10.1039/b412632g","","","0.71073","MoKα","","0.0834","0.0509","","","0.1196","0.1368","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101134","7.2261","0.001","8.9133","0.0012","10.0492","0.0013","98.589","0.003","93.045","0.003","99.426","0.002","629.35","0.15","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl3 N3 O S -","- C10 H8 Cl3 N3 O S -","- C20 H16 Cl6 N6 O2 S2 -","2","1","","Sonia Macho; Daniel Miguel; Ana G. Neo; Teresa Rodriguez; Tomas Torroba","Cyclopentathiadiazines, new heterocyclic materials from cyclic enaminonitriles","Chemical Communications","2005","","3","","","10.1039/b412632g","","","0.71073","MoKα","","0.0364","0.0335","","","0.0965","0.0988","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101135","6.888","0.004","8.696","0.005","9.612","0.005","68.241","0.009","83.001","0.01","70.332","0.01","503.5","0.5","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H4 Cl2 N2 S -","- C10 H4 Cl2 N2 S -","- C20 H8 Cl4 N4 S2 -","2","1","","Sonia Macho; Daniel Miguel; Ana G. Neo; Teresa Rodriguez; Tomas Torroba","Cyclopentathiadiazines, new heterocyclic materials from cyclic enaminonitriles","Chemical Communications","2005","","3","","","10.1039/b412632g","","","0.71073","MoKα","","0.067","0.0489","","","0.1289","0.1375","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101136","11.71","0.003","14.312","0.003","14.52","0.004","90","","101.787","0.015","90","","2382.1","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H86 Mg2 N4 Na2 O2 -","- C36 H86 Mg2 N4 Na2 O2 -","- C72 H172 Mg4 N8 Na4 O4 -","2","0.5","","Robert Mulvey; Nicholas D.R. Barnett; William Clegg; Alan R. Kennedy; Susan Weatherstone","Crystallographic characterisation of binary alkali metal alkoxide magnesium bis(alkyl) mixtures: differential binding of Na+ and K+ to a common dinuclear diorganomagnesiate","Chemical Communications","2005","","3","","","10.1039/b413191f","","","1.54178","CuKα","","0.1256","0.0723","","","0.2105","0.2511","","","","","","1.041","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101137","11.4984","0.0006","14.721","0.0011","14.494","0.001","90","","103.391","0.004","90","","2386.7","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H86 K2 Mg2 N4 O2 -","- C36 H80 K2 Mg2 N4 O2 -","- C72 H160 K4 Mg4 N8 O4 -","2","0.5","","Robert Mulvey; Nicholas D.R. Barnett; William Clegg; Alan R. Kennedy; Susan Weatherstone","Crystallographic characterisation of binary alkali metal alkoxide magnesium bis(alkyl) mixtures: differential binding of Na+ and K+ to a common dinuclear diorganomagnesiate","Chemical Communications","2005","","3","","","10.1039/b413191f","","","0.71073","MoKα","","0.1612","0.0762","","","0.1597","0.1964","","","","","","1.022","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101138","9.604","0.0004","10.3792","0.0005","14.1341","0.0006","76.523","0.001","81.368","0.001","75.938","0.001","1322.52","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 Fe N P3 -","- C26 H38 Fe N P3 -","- C52 H76 Fe2 N2 P6 -","2","1","","Hans-Friedrich Klein; Robert Beck; Sebnem Camadanli; Ulrich Florke","Meridional Bicyclometalation with Iron: a Novel Way of Forming Dianionic [C,N,C]-Ligands","Chemical Communications","2005","","3","","","10.1039/b413409e","","","0.71073","MoKα","","0.0384","0.0317","","","0.0839","0.0879","","","","","","1.034","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101139","15.1229","0.0017","17.561","0.002","19.738","0.002","90","","90","","90","","5241.8","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Fe N P3 -","- C26 H38 Fe N P3 -","- C208 H304 Fe8 N8 P24 -","8","1","","Hans-Friedrich Klein; Robert Beck; Sebnem Camadanli; Ulrich Florke","Meridional Bicyclometalation with Iron: a Novel Way of Forming Dianionic [C,N,C]-Ligands","Chemical Communications","2005","","3","","","10.1039/b413409e","","","0.71073","MoKα","","0.0503","0.0334","","","0.0852","0.0932","","","","","","1.011","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101140","6.2563","0.0013","6.3951","0.0013","26.865","0.005","90","","90","","90","","1074.9","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-leucine.hydrochloride.hydrate","","","- C6 H16 Cl N O3 -","- C6 H16 Cl N O3 -","- C24 H64 Cl4 N4 O12 -","4","1","","Jerry L. Atwood; Scott J. Dalgarno; Michaele J. Hardie; Colin L. Raston","Confinement of amino acids: Selective single crystal p-sulfonatocalix[6]arene complexation of L or D-leucine","Chemical Communications","2005","","3","","","10.1039/b413821j","","","0.71073","MoKα","","0.0418","0.0343","","","0.0777","0.0818","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101141","18.5302","0.0008","21.3013","0.0008","24.4166","0.0011","90","","90","","90","","9637.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((L-leucine + H+)2Ip-sulfonatocalix(6)arene)(L-leucine + H+)4).3.25H2O","","","- C78 H120.5 N6 O39.25 S6 -","- C76.65 H94.5 N6 O39.25 S6 -","- C306.6 H378 N24 O157 S24 -","4","1","","Jerry L. Atwood; Scott J. Dalgarno; Michaele J. Hardie; Colin L. Raston","Confinement of amino acids: Selective single crystal p-sulfonatocalix[6]arene complexation of L or D-leucine","Chemical Communications","2005","","3","","","10.1039/b413821j","","","0.71073","MoKα","","0.1918","0.09","","","0.1986","0.2378","","","","","","1.216","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101142","10.3758","0.0019","4.9215","0.0009","15.28","0.003","90","","107.108","0.002","90","","745.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","04143a","","","- C18 H12 F6 -","- C18 H12 F6 -","- C36 H24 F12 -","2","0.5","","Jin Liu; Kelly Jo Boarman","Regiospecific Topochemical Reactions Controlled by Trifluoromethyl Directing Groups","Chemical Communications","2005","","3","","","10.1039/b413898h","","","0.71073","MoKα","","0.0498","0.0399","","","0.104","0.1131","","","","","","1.055","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101143","7.9904","0.0009","10.0114","0.0011","10.6547","0.0012","73.214","0.002","68.806","0.002","84.573","0.002","760.77","0.15","173","2","173","2","","","","","","","","3","P -1","-P 1","2","04196a","","","- C36 H24 F12 -","- C36 H24 F12 -","- C36 H24 F12 -","1","0.5","","Jin Liu; Kelly Jo Boarman","Regiospecific Topochemical Reactions Controlled by Trifluoromethyl Directing Groups","Chemical Communications","2005","","3","","","10.1039/b413898h","","","0.71073","MoKα","","0.0632","0.0456","","","0.1136","0.1257","","","","","","1.049","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101144","7.722","0.002","10.082","0.003","12.348","0.003","101.944","0.005","104.207","0.005","95.869","0.005","899.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 Cu2 N6 O8 -","- C40 H24 Cu2 N6 O8 -","- C40 H24 Cu2 N6 O8 -","1","0.5","","George Newkome; Charles Moorefield; Matthew Panzer; Pingshan Wang","Helical and polymeric nanostructures assembled from benzene tri- and tetracarboxylic acids associated with terpyridine copperII complexes","Chemical Communications","2005","","4","","","10.1039/b412055h","","","0.71073","MoKα","","0.0748","0.056","","","0.1148","0.1225","","","","","","1.033","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101145","7.8605","0.0008","11.703","0.0011","22.549","0.002","86.84","0.002","89.118","0.002","89.024","0.002","2070.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Cu2 N6 O15 -","- C48 H36 Cu2 N6 O15 -","- C96 H72 Cu4 N12 O30 -","2","1","","George Newkome; Charles Moorefield; Matthew Panzer; Pingshan Wang","Helical and polymeric nanostructures assembled from benzene tri- and tetracarboxylic acids associated with terpyridine copperII complexes","Chemical Communications","2005","","4","","","10.1039/b412055h","","","0.71073","MoKα","","0.0502","0.0409","","","0.091","0.0954","","","","","","1.036","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101146","21.3","0.03","6.709","0.009","22.73","0.03","90","","103.93","0.04","90","","3153","7","243","2","243","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Fe4 N16 O9 -","- C15 H18 Fe4 N16 O9 -","- C60 H72 Fe16 N64 O36 -","4","0.5","","Wang, Ximeng; Sundberg, Eric B.; Li, Lijuan; Kantardjieff, Katherine A.; Herron, Steven R.; Lim, Mark; Ford, Peter C.","A cyclic tetra-nuclear dinitrosyl iron complex [Fe(NO)2(imidazolate)]4: synthesis, structure and stability","Chemical Communications (Cambridge, United Kingdom)","2005","","4","477","479","10.1039/b412086h","","","0.71073","MoKα","","0.0706","0.0597","","","0.1475","0.1535","","","","","","1.196","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7101147","15.1706","0.0003","20.1092","0.0004","21.632","0.0005","90","","90","","90","","6599.2","0.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H104 Cl N9 O2 -","- C60 H84 Cl N9 -","- C240 H336 Cl4 N36 -","4","1","","Jonathan L. Sessler; Deqiang An.; Won-Seob Cho.; Vincent Lynch; Manual Marquez","Calix[4]bipyrrole - A big, flexible, yet effective chloride-selective anion receptor","Chemical Communications","2005","","4","","","10.1039/b412737d","","","0.71073","MoKα","","0.1756","0.0754","","","0.1322","0.1387","","","","","","1.849","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101148","21.4853","0.0003","15.7904","0.0002","29.377","0.0005","90","","91.265","0.001","90","","9964.1","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H69 Br Cl N9 -","- C52.5 H69 Br Cl N9 -","- C420 H552 Br8 Cl8 N72 -","8","2","","Jonathan L. Sessler; Deqiang An.; Won-Seob Cho.; Vincent Lynch; Manual Marquez","Calix[4]bipyrrole - A big, flexible, yet effective chloride-selective anion receptor","Chemical Communications","2005","","4","","","10.1039/b412737d","","","0.71073","MoKα","","0.1693","0.0647","","","0.0916","0.1145","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101149","9.787","0.003","13.274","0.004","20.682","0.006","90","","95.242","0.007","90","","2675.5","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Cl4 Fe2 N24 Ni O4 -","- C46 H44 Cl4 Fe2 N24 Ni O4 -","- C92 H88 Cl8 Fe4 N48 Ni2 O8 -","2","0.5","","Enrique Colacio; Jean-Pierre Costes; Jose M. Dominguez-Vera; Ikram Ben Maimoun; Jose Suarez-Varela","Rational design of azide-bridged bimetallic complexes. Crystal Structure and magnetic properties of FeIIIMFeIII (M=NiII and CuII) trinuclear species","Chemical Communications","2005","","4","","","10.1039/b413433h","","","0.71073","MoKα","","0.1528","0.0757","","","0.1256","0.1522","","","","","","0.986","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101150","9.8154","0.0009","13.197","0.0012","20.7739","0.0019","90","","95.782","0.002","90","","2677.2","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl2 Cu0.5 Fe N12 O2 -","- C23 H22 Cl2 Cu0.5 Fe N12 O2 -","- C92 H88 Cl8 Cu2 Fe4 N48 O8 -","4","1","","Enrique Colacio; Jean-Pierre Costes; Jose M. Dominguez-Vera; Ikram Ben Maimoun; Jose Suarez-Varela","Rational design of azide-bridged bimetallic complexes. Crystal Structure and magnetic properties of FeIIIMFeIII (M=NiII and CuII) trinuclear species","Chemical Communications","2005","","4","","","10.1039/b413433h","","","0.71073","MoKα","","0.0469","0.038","","","0.0946","0.1","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101151","13.0937","0.0009","17.7646","0.0012","15.7526","0.0011","90","","94.853","0.004","90","","3651","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Li2 O5 -","- C18 H22 Li2 O5 -","- C144 H176 Li16 O40 -","8","1","","Kenneth Henderson; Dugald J. MacDougall; J. Jacob Morris; Bruce C. Noll","Use of tetrameric cubane aggregates of lithium aryloxides as secondary building units in controlling network assembly","Chemical Communications","2005","","4","","","10.1039/b413434f","","x-ray","0.71073","MoKα","","0.0475","0.0411","","","0.117","0.1224","","","","","","1.098","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101152","14.3172","0.0003","15.2696","0.0003","24.5935","0.0006","74.194","0.001","84.994","0.001","62.507","0.001","4584.39","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H128 Li8 O22 -","- C92 H128 Li8 O22 -","- C184 H256 Li16 O44 -","2","1","","Kenneth Henderson; Dugald J. MacDougall; J. Jacob Morris; Bruce C. Noll","Use of tetrameric cubane aggregates of lithium aryloxides as secondary building units in controlling network assembly","Chemical Communications","2005","","4","","","10.1039/b413434f","","x-ray","0.71073","MoKα","","0.081","0.0575","","","0.1584","0.1782","","","","","","1.044","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101153","15.0031","0.0001","15.0031","0.0001","24.7185","0.0004","90","","90","","90","","5563.96","0.1","100","2","100","2","","","","","","","synthesized","4","I 41/a :2","-I 4ad","88","","","","- C15 H17 Li O3.5 -","- C12 H11 Li O2 -","- C192 H176 Li16 O32 -","16","1","","Kenneth Henderson; Dugald J. MacDougall; J. Jacob Morris; Bruce C. Noll","Use of tetrameric cubane aggregates of lithium aryloxides as secondary building units in controlling network assembly","Chemical Communications","2005","","4","","","10.1039/b413434f","","x-ray","0.71073","MoKα","","0.0583","0.0458","","","0.1319","0.136","","","","","","1.161","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101154","19.2023","0.0005","34.9478","0.0009","12.2308","0.0002","90","","90","","90","","8207.8","0.3","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H44 Cl2 N6 Ni O12 -","- C38 H44 Cl2 N6 Ni O12 -","- C304 H352 Cl16 N48 Ni8 O96 -","8","1","","Lisa Berreau; Atta M. Arif; Magdalena M. Makowska-Grzyska; Katarzyna Rudzka; Ewa Szajna","Neutral acetohydroxamic acid coordination to a mononuclear Ni(II) center stabilized by a intramolecular hydrogen-bonding interaction","Chemical Communications","2005","","4","","","10.1039/b413683g","","","0.71073","MoKα","","0.0962","0.0555","","","0.1229","0.144","","","","","","1.021","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101155","11.065","0.003","11.168","0.003","15.436","0.003","72.67","0.03","83.03","0.03","61.4","0.02","1598.3","0.6","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H51 Cl9 Mg3 N12 O6 P2 S2 -","- C51 H51 Cl9 Mg3 N12 O6 P2 S2 -","- C51 H51 Cl9 Mg3 N12 O6 P2 S2 -","1","0.5","","Vadapalli Chandrasekhar; Ramachandran Azhakar; Jamie F. Bickley; Alexander Steiner","A Luminescent Linear Trinuclear Magnesium Complex Assembled from a Phosphorous-based tris Hydrazone Ligand","Chemical Communications","2005","","4","","","10.1039/b414353a","","","0.71073","MoKα","","0.0628","0.0532","","","0.1457","0.1532","","","","","","1.083","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101156","14.756","0.007","26.143","0.012","15.501","0.007","90","","105.642","0.009","90","","5758","5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 B F24 N6 O3 Re -","- C50 H36 B F24 N6 O3 Re -","- C200 H144 B4 F96 N24 O12 Re4 -","4","1","","Sonia Nieto; Julio Perez; Victor Riera; Daniel Miguel; Celedonio Alvarez","Cationic fac-tris(pyrazole) complexes as anion receptors.","Chemical Communications","2005","","4","","","10.1039/b414407d","","","0.71073","MoKα","","0.0797","0.0546","","","0.1257","0.1437","","","","","","1.032","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101157","10.819","0.006","15.76","0.008","19.839","0.01","74.846","0.011","76.806","0.009","82.664","0.01","3170","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 B F24 N6 O3 Re -","- C56 H48 B F24 N6 O3 Re -","- C112 H96 B2 F48 N12 O6 Re2 -","2","1","","Sonia Nieto; Julio Perez; Victor Riera; Daniel Miguel; Celedonio Alvarez","Cationic fac-tris(pyrazole) complexes as anion receptors.","Chemical Communications","2005","","4","","","10.1039/b414407d","","","0.71073","MoKα","","0.0568","0.0408","","","0.0904","0.1009","","","","","","1.004","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101158","13.765","0.003","18.596","0.004","13.707","0.003","90","","97.329","0.004","90","","3479.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N8 O6 Re2 -","- C26 H32 Cl2 N8 O6 Re2 -","- C104 H128 Cl8 N32 O24 Re8 -","4","1","","Sonia Nieto; Julio Perez; Victor Riera; Daniel Miguel; Celedonio Alvarez","Cationic fac-tris(pyrazole) complexes as anion receptors.","Chemical Communications","2005","","4","","","10.1039/b414407d","","","0.71073","MoKα","","0.0353","0.0262","","","0.0608","0.0646","","","","","","1.004","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101159","8.341","0.002","11.54","0.002","11.685","0.002","90.63","0.03","91.84","0.03","98.94","0.03","1110.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Mn(4-azidopyridine)2(N3)2)n","","","- C15 H12 Mn1.5 N21 -","- C15 H12 Mn1.5 N21 -","- C30 H24 Mn3 N42 -","2","1","","Albert Escuer; Morsy A.M. Abu-Youssef; Mohamed A. S. Goher; Franz A. Mautner; Ramon Vicente","A two-dimensional azido-based topologic ferrimagnet","Chemical Communications","2005","","5","","","10.1039/b413665a","","","0.71073","MoKα","","0.1056","0.0761","","0.2137","","0.19","","","1.036","","","1.089","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101160","18.756","0.004","22.961","0.007","19.81","0.005","90","","106.869","0.014","90","","8164","3","298","2","298","2","","","","","","","Synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H128 Mo36 N8 O156 -","- C40 H20 Mo36 N8 O156 -","- C80 H40 Mo72 N16 O312 -","2","0.5","","Reinaldo Atencio; Alexander Briceno; Xacvier Galindo","A mesoporous hydrogen-bonded organic-inorganic framework bearing the isopolymolybdate [Mo36O112(OH2)16]8-","Chemical Communications","2005","","5","","","10.1039/b413825b","","","0.71073","MoKα","","0.111","0.0599","","","0.1219","0.1432","","","","","","1.022","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101161","6.4406","0.0002","14.9072","0.0005","42.412","0.001","90","","90","","90","","4072","0.2","153.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H56 Cu3 N2 O14 -","- C40 H56 Cu3 N2 O14 -","- C160 H224 Cu12 N8 O56 -","4","1","","Tomoaki Tanase; Merii Kato; Ajay Sah","Trinuclear coordinatively labile Cu(II) complex of 4,6-O-ethylidene-beta-D-glucopyranosylamine derived Schiff base ligand and its reactivity towards primary alcohols and amines","Chemical Communications","2005","","5","","","10.1039/b413923b","","","0.7107","MoKα","","","0.04","","","","0.05","","","","","","0.409","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101162","8.1487","0.0001","12.2359","0.0001","16.9972","0.0003","72.113","0.008","78.973","0.009","65.529","0.006","1463.92","0.03","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C56 H88 Cu3 N2 O18 -","- C56 H86 Cu3 N2 O18 -","- C56 H86 Cu3 N2 O18 -","1","1","","Tomoaki Tanase; Merii Kato; Ajay Sah","Trinuclear coordinatively labile Cu(II) complex of 4,6-O-ethylidene-beta-D-glucopyranosylamine derived Schiff base ligand and its reactivity towards primary alcohols and amines","Chemical Communications","2005","","5","","","10.1039/b413923b","","","0.7107","MoKα","","","0.047","","","","0.056","","","","","","0.788","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101163","12.83","0.004","10.858","0.003","17.007","0.005","90","","102.255","0.004","90","","2315.3","1.1","153.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cu N2 O2 -","- C24 H32 Cu N2 O2 -","- C96 H128 Cu4 N8 O8 -","4","1","","Tomoaki Tanase; Merii Kato; Ajay Sah","Trinuclear coordinatively labile Cu(II) complex of 4,6-O-ethylidene-beta-D-glucopyranosylamine derived Schiff base ligand and its reactivity towards primary alcohols and amines","Chemical Communications","2005","","5","","","10.1039/b413923b","","","0.7107","MoKα","","","0.09","","","","0.106","","","","","","1.603","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101164","14.0065","0.001","11.6044","0.0011","8.5136","0.0005","90","","90","","90","","1383.8","0.2","153.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H25 Cl2 Cu N5 -","- C5 H25 Cl2 Cu N5 -","- C20 H100 Cl8 Cu4 N20 -","4","0.5","","Tomoaki Tanase; Merii Kato; Ajay Sah","Trinuclear coordinatively labile Cu(II) complex of 4,6-O-ethylidene-beta-D-glucopyranosylamine derived Schiff base ligand and its reactivity towards primary alcohols and amines","Chemical Communications","2005","","5","","","10.1039/b413923b","","","0.7107","MoKα","","","0.037","","","","0.048","","","","","","0.735","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101165","17.2292","0.0002","15.0443","0.0002","18.9657","0.0002","90","","114.425","0.0003","90","","4475.98","0.09","113.2","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H18 Cl2 N2 O6 -","- C24 H18 Cl2 N2 O6 -","- C192 H144 Cl16 N16 O48 -","8","2","","Fumio Toda; Shinji Toyota","A new [2+2] photodimerization of 5-chloro- and 5-methyl-2-pyridone in their inclusion complexes with 1,1f-biphenyl-2,2f-dicarboxylic acid as a model for DNA damage by photodimerization of its thymine component","Chemical Communications","2005","","5","","","10.1039/b414134b","","","0.7107","MoKα","","","0.0345","","","","0.0917","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101166","15.111","0.0003","15.0153","0.0003","10.1193","0.0003","90","","96.0058","0.0007","90","","2283.43","0.09","173.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","0.5","","Fumio Toda; Shinji Toyota","A new [2+2] photodimerization of 5-chloro- and 5-methyl-2-pyridone in their inclusion complexes with 1,1f-biphenyl-2,2f-dicarboxylic acid as a model for DNA damage by photodimerization of its thymine component","Chemical Communications","2005","","5","","","10.1039/b414134b","","","0.7107","MoKα","","","0.052","","","","0.1675","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101167","13.041","0.0005","10.8975","0.0004","7.4136","0.0002","90","","102.994","0.002","90","","1026.6","0.06","93.2","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H8 Cl2 N2 O2 -","- C10 H8 Cl2 N2 O2 -","- C40 H32 Cl8 N8 O8 -","4","1","","Fumio Toda; Shinji Toyota","A new [2+2] photodimerization of 5-chloro- and 5-methyl-2-pyridone in their inclusion complexes with 1,1f-biphenyl-2,2f-dicarboxylic acid as a model for DNA damage by photodimerization of its thymine component","Chemical Communications","2005","","5","","","10.1039/b414134b","","","0.7107","MoKα","","","0.0228","","","","0.061","","","","","","1.648","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101168","12.9385","0.0001","12.9385","0.0001","13.1962","0.0002","90","","90","","90","","2209.11","0.04","173.2","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","0.5","","Fumio Toda; Shinji Toyota","A new [2+2] photodimerization of 5-chloro- and 5-methyl-2-pyridone in their inclusion complexes with 1,1f-biphenyl-2,2f-dicarboxylic acid as a model for DNA damage by photodimerization of its thymine component","Chemical Communications","2005","","5","","","10.1039/b414134b","","","0.7107","MoKα","","","0.0367","","","","0.1699","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101169","16.332","0.0012","21.0373","0.0015","23.4288","0.0019","90","","90","","90","","8049.7","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C84 H88 B2 F8 O8 P4 Rh2 -","- C84 H88 B2 F8 O8 P4 Rh2 -","- C336 H352 B8 F32 O32 P16 Rh8 -","4","1","","Miguel Rubio; Andres Suarez; Eleuterio Alvarez; Antonio Pizzano","Highly enantioselective hydrogenation of enol ester phosphonates catalyzed by rhodium phosphine-phosphite complexes.","Chemical Communications","2005","","5","","","10.1039/b414288h","","","0.71073","MoKα","","0.0932","0.0586","","","0.1393","0.163","","","","","","1.077","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101170","13.6463","0.0002","13.817","0.0002","14.7689","0.0002","110.792","0.001","115.358","0.001","98.408","0.001","2201.02","0.05","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H38 Eu N O10 -","- C55 H38 Eu N O10 -","- C110 H76 Eu2 N2 O20 -","2","1","","Van Deun, Rik; Nockemann, Peter; Fias, Pascal; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Visible light sensitization of europium(III) luminescence in a 9-hydroxyphenal-1-one complex","Chemical Communications","2005","","5","","","10.1039/b414703k","","","1.54178","CuKα","","0.0448","0.0392","","","0.0868","0.0886","","","","","","0.974","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101171","14.241","0.0014","13.9311","0.0013","20.098","0.002","90","","109.168","0.003","90","","3766.3","0.6","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H102.73 Lu2 O60.37 -","- C48 H54 Lu2 O60.32 -","- C96 H108 Lu4 O120.64 -","2","1","","Pascale Delangle; Pascal Henry Fries; Andree Gadelle; J. Pecaut","Inclusion complexes of trivalent lutetium cation with an acidic derivative of per(3,6-anhydro)-a-cyclodextrin","Chemical Communications","2005","","5","","","10.1039/b414870c","","","0.71073","MoKα","","0.0329","0.0316","","","0.0852","0.0858","","","","","","1.05","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7111481","7.2779","0.001","7.2779","0.001","18.681","0.004","90","","90","","90","","989.5","0.3","173","2","173","2","","","","","","","synthesis as described","3","P 4/n b m :2","-P 4a 2b","125","Strontium Germanium Nitride","","","- Ge4 N6 Sr11 -","- Ge4 N6 Sr11 -","- Ge8 N12 Sr22 -","2","0.125","","G�l, Zolt�n A.; Clarke, Simon J.","Sr11Ge4N6: a new nitride composed of [GeN2Sr7]4+ antiperovskite-type slabs and [Sr4Ge]4+ layers, separated by sheets of bent [GeIIN2]4? ions","Chemical Communications","2005","","6","728","730","10.1039/b413534b","","x-ray","0.71073","MoKα","","0.0291","0.0236","","","0.0473","0.0484","","","","","","1.191","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111482","15.171","0.003","21.373","0.004","26.866","0.005","90","","105.13","0.03","90","","8409","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H121 Ga2 Li N4 O4 Zr -","- C85 H114 Ga2 Li N4 O4 Zr -","- C340 H456 Ga8 Li4 N16 O16 Zr4 -","4","1","","Baker, Robert J.; Jones, Cameron; Murphy, Damien M.","Evidence for the first oxidative insertion of a transition metal into a digallane(4): synthesis, structural characterisation and EPR studies of [Cp2ZrIII{Ga[N(Ar)C(H)]2}2][Li(THF)4], Ar = C6H3Pri2-2,6","Chemical Communications","2005","","10","1339","1341","10.1039/b417720g","","","0.71073","MoKα","","0.0818","0.0556","","","0.1326","0.1462","","","","","","1.033","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111483","27.896","0.003","5.1762","0.0005","19.7879","0.0018","90","","101.09","0.002","90","","2803.9","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1:1 co-crystal of 2-oxo-1-pyrrolidinyl)acetamide and 2,5- dihydroxybenzoic acid'","1:1 co-crystal of 2-oxo-1-pyrrolidinyl)acetamide and 2,5-dihydroxybenzoic acid'","","- C13 H16 N2 O6 -","- C13 H16 N2 O6 -","- C104 H128 N16 O48 -","8","1","","Vishweshwar, Peddy; McMahon, Jennifer A.; Peterson, Matthew L.; Hickey, Magali B.; Shattock, Tanise R.; Zaworotko, Michael J.","Crystal engineering of pharmaceutical co-crystals from polymorphic active pharmaceutical ingredients","Chemical Communications","2005","","36","4601","4603","10.1039/b501304f","","","0.71073","MoKα","","0.0519","0.0435","","","0.1083","0.1131","","","","","","1.054","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111484","14.78","0.003","5.5029","0.0012","17.068","0.004","90","","109.557","0.004","90","","1308.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 Co-crystal of 2-Oxo-1-pyrrolidinyl)acetamide and 4- Hydroxybenzoic acid","1:1 Co-crystal of 2-Oxo-1-pyrrolidinyl)acetamide and 4-Hydroxybenzoic acid","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","1","","Vishweshwar, Peddy; McMahon, Jennifer A.; Peterson, Matthew L.; Hickey, Magali B.; Shattock, Tanise R.; Zaworotko, Michael J.","Crystal engineering of pharmaceutical co-crystals from polymorphic active pharmaceutical ingredients","Chemical Communications","2005","","36","4601","4603","10.1039/b501304f","","","0.71073","MoKα","","0.0678","0.0484","","","0.1096","0.1347","","","","","","1.108","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111485","13.072","0.003","13.181","0.003","14.66","0.003","76.69","0.03","67.58","0.03","62.77","0.03","2071.5","1","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H31 Cl2 Fe N7 O8 -","- C41 Cl2 Fe N7 O8 -","- C82 Cl4 Fe2 N14 O16 -","2","1","","Wong, Ella Lai-Ming; Fang, Guo-Su; Che, Chi-Ming; Zhu, Nianyong","Highly cytotoxic iron(ii) complexes with pentadentate pyridyl ligands as a new class of anti-tumor agents","Chemical Communications","2005","","36","4578","4580","10.1039/b507687k","","","0.71069","MoKα","","0.1903","0.1158","","","0.2941","0.3377","","","","","","0.907","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111486","11.732","0.002","12.453","0.003","13.997","0.003","94.77","0.03","113.14","0.03","104.39","0.03","1783.5","0.9","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27.5 Cl2 Fe N8.5 O8 -","- C32 H17 Cl2 Fe N8.5 O8 -","- C64 H34 Cl4 Fe2 N17 O16 -","2","1","","Wong, Ella Lai-Ming; Fang, Guo-Su; Che, Chi-Ming; Zhu, Nianyong","Highly cytotoxic iron(ii) complexes with pentadentate pyridyl ligands as a new class of anti-tumor agents","Chemical Communications","2005","","36","4578","4580","10.1039/b507687k","","","0.71069","MoKα","","0.1518","0.0941","","","0.2494","0.2811","","","","","","0.936","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111487","8.57","0.002","12.315","0.003","15.762","0.003","102.03","0.03","97.89","0.03","108.04","0.03","1510.1","0.7","253","2","253","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H25 Cl F3 Fe N5 O6 S -","- C29 H21 Cl F3 Fe N5 O6 S -","- C58 H42 Cl2 F6 Fe2 N10 O12 S2 -","2","1","","Wong, Ella Lai-Ming; Fang, Guo-Su; Che, Chi-Ming; Zhu, Nianyong","Highly cytotoxic iron(ii) complexes with pentadentate pyridyl ligands as a new class of anti-tumor agents","Chemical Communications","2005","","36","4578","4580","10.1039/b507687k","","","0.71069","MoKα","","0.0851","0.0517","","","0.142","0.1729","","","","","","0.943","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111488","22.826","0.002","22.826","0.002","14.8258","0.0016","90","","90","","90","","7724.6","1.3","162","2","162","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C96 H216 Ag16 P8 Si8 -","- C96 H220 Ag16 P8 Si8 -","- C192 H440 Ag32 P16 Si16 -","2","0.125","","Lerner, Hans-Wolfram; Margraf, Günter; Bats, Jan W.; Wagner, Matthias","Synthesis and crystal structure of [tBu3SiPAg2]8: A novel Ag16-cluster featuring a remarkable symmetrical structure","Chemical Communications","2005","","36","4545","4547","10.1039/b507833d","","","0.71073","MoKα","","0.1067","0.0562","","","0.1466","0.1586","","","","","","1.119","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111489","4.728","0.005","14.84","0.02","13.48","0.03","90","","90.46","0.06","90","","946","3","223.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 Co O4 -","- C12 H6 Co O4 -","- C48 H24 Co4 O16 -","4","1","","Maji, Tapas Kumar; Kaneko, Wakako; Ohba, Masaaki; Kitagawa, Susumu","Diversity in magnetic properties of 3D isomorphous networks of Co(ii) and Mn(ii) constructed by napthalene-1,4-dicarboxylate","Chemical Communications","2005","","36","4613","4615","10.1039/b507953e","","","0.7107","MoKα","","","0.0253","","","","0.0417","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111490","4.892","0.009","14.99","0.02","13.37","0.04","90","","91.82","0.06","90","","980","4","233.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 Mn O4 -","- C12 H6 Mn O4 -","- C48 H24 Mn4 O16 -","4","1","","Maji, Tapas Kumar; Kaneko, Wakako; Ohba, Masaaki; Kitagawa, Susumu","Diversity in magnetic properties of 3D isomorphous networks of Co(ii) and Mn(ii) constructed by napthalene-1,4-dicarboxylate","Chemical Communications","2005","","36","4613","4615","10.1039/b507953e","","","0.7107","MoKα","","","0.0293","","","","0.0395","","","","","","0.889","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111491","12.938","0.002","14.613","0.002","25.703","0.004","88.608","0.002","89.882","0.002","76.149","0.002","4716.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H99 Cl4 N36 O29.5 -","- C72 H72 Cl4 N36 O29.5 -","- C144 H144 Cl8 N72 O59 -","2","1","","Pattabiraman, Mahesh; Natarajan, Arunkumar; Kaliappan, Raja; Mague, Joel T.; Ramamurthy, V.","Template directed photodimerization of trans-1,2-bis(n-pyridyl)ethylenes and stilbazoles in water","Chemical Communications","2005","","36","4542","4544","10.1039/b508458j","","","0.71073","MoKα","","0.1932","0.1289","","","0.3559","0.3856","","","","","","1.27","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111492","11.0977","0.0006","16.4934","0.001","18.7071","0.0011","90","","90","","90","","3424.1","0.3","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,3'-(phenanthrenol imine)-2,2'-binaphthyl","3,3'-(phenanthrenol imine)-2,2'-binaphthyl","","- C50 H32 N2 O2 -","- C50 H32 N2 O2 -","- C200 H128 N8 O8 -","4","1","","Wiznycia, Alexander V.; Desper, John; Levy, Christopher J.","Iron(ii) and zinc(ii) monohelical binaphthyl salen complexes","Chemical Communications","2005","","37","4693","4695","10.1039/b508538a","","","0.71073","MoKα","","0.0646","0.0488","","","0.1102","0.1182","","","","","","1.046","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111493","12.3373","0.0004","13.341","0.0005","23.6254","0.0008","90","","90","","90","","3888.5","0.2","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2,2'-bis(2-(1-oxy-2-phenanthrenyl)-1-azaethenyl)(1,1'- binaphthyl)zinc(ii)","2,2'-bis(2-(1-oxy-2-phenanthrenyl)-1-azaethenyl)(1,1'-binaphthyl)zinc(II)","","- C52 H36.75 Cl0.5 N2 O3.75 Zn -","- C52 H36.75 Cl0.5 N2 O3.75 Zn -","- C208 H147 Cl2 N8 O15 Zn4 -","4","1","","Wiznycia, Alexander V.; Desper, John; Levy, Christopher J.","Iron(ii) and zinc(ii) monohelical binaphthyl salen complexes","Chemical Communications","2005","","37","4693","4695","10.1039/b508538a","","","0.71073","MoKα","","0.0492","0.0348","","","0.0808","0.0874","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111494","13.1443","0.0012","16.4557","0.0015","18.9601","0.0017","99.736","0.006","104.006","0.006","94.156","0.004","3894.1","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Fe(ii)/binaphthyl bis(phenanthrenolate)imine","Fe(II)/binaphthyl bis(phenanthrenolate)imine","","- C51 H32 Cl2 Fe N2 O2 -","- C51 H32 Cl2 Fe N2 O2 -","- C204 H128 Cl8 Fe4 N8 O8 -","4","2","","Wiznycia, Alexander V.; Desper, John; Levy, Christopher J.","Iron(ii) and zinc(ii) monohelical binaphthyl salen complexes","Chemical Communications","2005","","37","4693","4695","10.1039/b508538a","","","0.71073","MoKα","","0.1632","0.0569","","","0.1255","0.1642","","","","","","0.905","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111495","9.8887","0.0018","11.63","0.002","11.91","0.002","112.359","0.003","94.035","0.003","103.615","0.003","1211.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato) (bispiperidine)molybdenum(ii)","(5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato) (bispiperidine)molybdenum(II)","","- C61 H58 Mo N6 -","- C61 H57 Mo N6 -","- C61 H57 Mo N6 -","1","0.5","","Harvey, John D.; Shaw, Janet L.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis of isostructural Mo2+ porphyrin and N-confused porphyrin complexes","Chemical Communications","2005","","37","4663","4665","10.1039/b508913a","","","0.71073","MoKα","","0.0499","0.0447","","","0.1108","0.1139","","","","","","1.103","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111496","9.9529","0.0009","11.6864","0.001","11.9876","0.0011","112.413","0.001","93.904","0.002","103.401","0.001","1234.77","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(5,10,15,20- tetraphenylporphyrinato)(bispiperidine)molybdenum(ii)","(5,10,15,20-tetraphenylporphyrinato)(bispiperidine)molybdenum(II)","","- C61 H58 Mo N6 -","- C61 H57 Mo N6 -","- C61 H57 Mo N6 -","1","0.5","","Harvey, John D.; Shaw, Janet L.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis of isostructural Mo2+ porphyrin and N-confused porphyrin complexes","Chemical Communications","2005","","37","4663","4665","10.1039/b508913a","","","0.71073","MoKα","","0.0416","0.0378","","","0.0875","0.0895","","","","","","1.079","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111497","20.959","0.004","9.625","0.002","18.365","0.003","90","","101.415","0.004","90","","3631.5","1.2","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H50 Br4 Cu2 N6 O9 Zn2 -","- C17 H46 Br4 Cu2 N6 O9 Zn2 -","- C68 H184 Br16 Cu8 N24 O36 Zn8 -","4","0.5","","Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.; Jezierska, Julia; Brunel, Louis C.; Ozarowski, Andrew","A Cu‒Zn‒Cu‒Zn heterometallomacrocycle shows significant antiferromagnetic coupling between paramagnetic centres mediated by diamagnetic metal","Chemical Communications","2005","","39","4976","4978","10.1039/b509810f","","","0.71073","MoKα","","0.096","0.035","","0.038","","0.032","","","0.905","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7113346","11.639","0.002","11.829","0.002","13.249","0.003","65.3","0.003","77.198","0.003","72.582","0.003","1571.4","0.5","96","2","96","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Br N4 O5 Re -","- C30 H24 Br N4 O5 Re -","- C60 H48 Br2 N8 O10 Re2 -","2","1","","Banerjee, Sangeeta Ray; Babich, John W.; Zubieta, Jon","Site directed maleimide bifunctional chelators for the M(CO)3+ core (M =(99m)Tc, Re).","Chemical communications (Cambridge, England)","2005","","13","1784","1786","10.1039/b417588c","","x-ray","0.71073","MoKα","","0.0602","0.052","","","0.126","0.1299","","","","","","1.013","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113347","9.2492","0.0008","11.175","0.001","13.0963","0.0011","101.983","0.002","90.707","0.002","101.991","0.002","1293.06","0.19","96","2","96","2","","","","","","","","5","P -1","-P 1","2","","Ligand Hydrochloride","","- C27 H23 Cl3 N4 O2 -","- C27 H23 Cl3 N4 O2 -","- C54 H46 Cl6 N8 O4 -","2","1","","Banerjee, Sangeeta Ray; Babich, John W.; Zubieta, Jon","Site directed maleimide bifunctional chelators for the M(CO)3+ core (M =(99m)Tc, Re).","Chemical communications (Cambridge, England)","2005","","13","1784","1786","10.1039/b417588c","","x-ray","0.71073","MoKα","","0.0577","0.0493","","","0.1188","0.125","","","","","","1.03","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113348","14.513","0.007","14.781","0.009","18.381","0.009","93.43","0.04","106.93","0.03","100.09","0.04","3688","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","((Mg((2,6-iPr2Ph)BIAN)(?-Me))2 (2) in paper)","","","- C81.5 H103.5 Mg2 N4 -","- C74 H86 Mg2 N4 -","- C148 H172 Mg4 N8 -","2","1","","Bailey, Philip J.; Coxall, Robert A.; Dick, Caroline M.; Fabre, Sylvie; Parsons, Simon; Yellowlees, Lesley J.","Structural and EPR characterisation of single electron and alkyl transfer products from reaction of dimethyl magnesium with bulky alpha-diimine ligands.","Chemical communications (Cambridge, England)","2005","","36","4563","4565","10.1039/b505697g","","","1.54178","CuKα","","0.1569","0.097","","","0.2458","0.2867","","","","","","0.962","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7113349","18.459","0.003","18.337","0.003","12.19","0.002","90","","126.851","0.002","90","","3301.7","0.9","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","((Mg((2,6-iPr2Ph)NC(Me)2C(Me)N(2,6-iPr2Ph))(?2-Me))2 (5) in paper)","","","- C71 H108 Mg2 N4 O -","- C60 H92 Mg2 N4 -","- C120 H184 Mg4 N8 -","2","0.25","","Bailey, Philip J.; Coxall, Robert A.; Dick, Caroline M.; Fabre, Sylvie; Parsons, Simon; Yellowlees, Lesley J.","Structural and EPR characterisation of single electron and alkyl transfer products from reaction of dimethyl magnesium with bulky alpha-diimine ligands.","Chemical communications (Cambridge, England)","2005","","36","4563","4565","10.1039/b505697g","","","0.71073","MoKα","","0.0679","0.0526","","","0.1409","0.1454","","","","","","0.858","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113350","9.4652","0.0005","12.38","0.0006","17.0943","0.0008","79.19","0.001","83.834","0.001","75.902","0.001","1904.28","0.16","223.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H31 Cl2 N4 O4 Re -","- C45 H31 Cl2 N4 O4 Re -","- C90 H62 Cl4 N8 O8 Re2 -","2","1","","Toganoh, Motoki; Ikeda, Shinya; Furuta, Hiroyuki","Re(VII) complex of N-fused tetraphenylporphyrin.","Chemical communications (Cambridge, England)","2005","","36","4589","4591","10.1039/b508208k","","","0.71069","MoKα","","","0.0445","","","","0.0806","","","","","","1.239","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113351","10.936","0.008","12.458","0.009","17.56","0.01","98.94","0.02","101.48","0.01","91.966","0.011","2311","3","113.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 Cl3 N2 O4 Rh -","- C54 H52 Cl3 N2 O4 Rh -","- C108 H104 Cl6 N4 O8 Rh2 -","2","1","","Fujihara, Tetsuaki; Obora, Yasushi; Tokunaga, Makoto; Sato, Hiromichi; Tsuji, Yasushi","Dendrimer N-heterocyclic carbene complexes with rhodium(I) at the core.","Chemical communications (Cambridge, England)","2005","","36","4526","4528","10.1039/b506927k","","","0.7107","MoKα","","","0.062","","","","0.159","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113352","13.4499","0.0009","10.5525","0.0007","15.9848","0.0011","90","","93.351","0.002","90","","2264.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dimer of (sacylidene aniline)(2,2,6,6-tetramethylheptandi-3,5- one)aluminium","","","- C48 H56 Al2 N2 O8 -","- C48 H56 Al2 N2 O8 -","- C96 H112 Al4 N4 O16 -","2","0.5","","Qiao, Juan; Wang, Li D.; Xie, Jun F.; Lei, Gang T.; Wu, Guo S.; Qiu, Yong","Strongly luminescent binuclear aluminium chelate with polymer-like molecular packing and solution-processibility.","Chemical communications (Cambridge, England)","2005","","36","4560","4562","10.1039/b506907f","","","0.71073","MoKα","","0.1023","0.0725","","","0.1305","0.1391","","","","","","1.047","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7113353","4.2754","0.0006","4.2754","0.0006","83.564","0.002","90","","90","","120","","1322.8","0.3","293","2","293","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","antimony telluride (4/3)","","- Sb4 Te3 -","- Sb4 Te3 -","- Sb24 Te18 -","6","0.166667","","Poudeu, Pierre F. P.; Kanatzidis, Mercouri G.","Design in solid state chemistry based on phase homologies. Sb4Te3 and Sb8Te9 as new members of the series (Sb2Te3)m.(Sb2)n.","Chemical communications (Cambridge, England)","2005","","21","2672","2674","10.1039/b500695c","","","0.71073","MoKα","","0.0663","0.041","","","0.0964","0.1064","","","","","","0.905","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7113354","4.2738","0.0005","4.2738","0.0005","102.69","0.02","90","","90","","120","","1624.4","0.4","293","2","293","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","antimony telluride (8/9)","","- Sb8 Te9 -","- Sb8 Te9 -","- Sb24 Te27 -","3","0.0833333","","Poudeu, Pierre F. P.; Kanatzidis, Mercouri G.","Design in solid state chemistry based on phase homologies. Sb4Te3 and Sb8Te9 as new members of the series (Sb2Te3)m.(Sb2)n.","Chemical communications (Cambridge, England)","2005","","21","2672","2674","10.1039/b500695c","","","0.71073","MoKα","","0.0347","0.0292","","","0.0748","0.0778","","","","","","1.196","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7113355","34.408","0.005","12.624","0.002","25.155","0.004","90","","110.396","0.006","90","","10241","3","293.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H112 Cl12 Ir4 O2 S6 -","- C84 H112 Cl12 Ir4 O2 S6 -","- C336 H448 Cl48 Ir16 O8 S24 -","4","0.5","","Hirata, Kenji; Suzuki, Toshiaki; Noya, Ai; Takei, Izuru; Hidai, Masanobu","Syntheses and structures of mono-, di- and tetranuclear rhodium or iridium complexes of thiacalix[4]arene derivatives.","Chemical communications (Cambridge, England)","2005","","29","3718","3720","10.1039/b502999f","","","0.7107","MoKα","","","0.072","","","","0.162","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113356","11.019","0.004","12.333","0.005","13.359","0.004","67.486","0.012","65.784","0.013","81.55","0.02","1529.4","1","293.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H74 Ir2 S8 -","- C60 H74 Ir2 S8 -","- C60 H74 Ir2 S8 -","1","0.5","","Hirata, Kenji; Suzuki, Toshiaki; Noya, Ai; Takei, Izuru; Hidai, Masanobu","Syntheses and structures of mono-, di- and tetranuclear rhodium or iridium complexes of thiacalix[4]arene derivatives.","Chemical communications (Cambridge, England)","2005","","29","3718","3720","10.1039/b502999f","","","0.7107","MoKα","","","0.049","","","","0.129","","","","","","1.102","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113357","12.2677","0.0008","23.102","0.002","19.3996","0.0013","90","","90","","90","","5498","0.7","293.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C52 H65 Cl4 Ir O4 S4 -","- C104 H130 Cl8 Ir2 O8 S8 -","- C416 H520 Cl32 Ir8 O32 S32 -","4","0.5","","Hirata, Kenji; Suzuki, Toshiaki; Noya, Ai; Takei, Izuru; Hidai, Masanobu","Syntheses and structures of mono-, di- and tetranuclear rhodium or iridium complexes of thiacalix[4]arene derivatives.","Chemical communications (Cambridge, England)","2005","","29","3718","3720","10.1039/b502999f","","","0.7107","MoKα","","","0.073","","","","0.179","","","","","","1.137","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7113358","20.712","0.01","12.942","0.006","13.568","0.006","90","","99.764","0.006","90","","3584","3","293.1","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C60 H74 Rh2 S8 -","- C60 H74 Rh2 S8 -","- C120 H148 Rh4 S16 -","2","0.25","","Hirata, Kenji; Suzuki, Toshiaki; Noya, Ai; Takei, Izuru; Hidai, Masanobu","Syntheses and structures of mono-, di- and tetranuclear rhodium or iridium complexes of thiacalix[4]arene derivatives.","Chemical communications (Cambridge, England)","2005","","29","3718","3720","10.1039/b502999f","","","0.7107","MoKα","","","0.072","","","","0.237","","","","","","1.225","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113359","20.437","0.003","12.841","0.004","14.614","0.005","90","","94.52","0.06","90","","3823.2","1.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H22 K2 Mg2 O39 U2 -","- C14 H22 K2 Mg2 O39 U2 -","- C56 H88 K8 Mg8 O156 U8 -","4","0.5","","Imaz, Inhar; Bravic, Georges; Sutter, Jean-Pascal","Structural and zeolitic features of a 3D heterometallic porous architecture constructed from a {M(oxalate)4}4- building unit.","Chemical communications (Cambridge, England)","2005","","8","993","995","10.1039/b414190c","","","0.71073","MoKα","","0.0697","0.0518","","","0.1418","0.1564","","","","","","1.082","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7117500","9.9653","","7.5717","","9.3031","","90","","90","","90","","701.959","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Rb2.69 Al2.6 Si9.4 O24","","- Al2.6 O24 Rb2.69 Si9.4 -","- Al2.6004 O24 Rb2.69 Si9.3996 -","- Al2.6004 O24 Rb2.69 Si9.3996 -","1","0.125","","Ikeda, T.; Itabashi, K.","RMA-3: Synthesis and structure of a novel Rb-C zeolite","Chemical Communications","2005","2005","","2753","2755","","","","","","","","","","","","","","","","","","","","","","has coordinates","151044","2020-10-21","18:00:00",""
"7117506","3.581311","","3.581311","","57.75209","","90","","90","","120","","641.479","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Na0.125 Hf N Cl","","- Cl Hf N Na0.125 -","- Cl Hf N Na0.125007 -","- Cl12 Hf12 N12 Na1.50009 -","12","0.333333","","Oro-Sole, J.; Martinez, B.; Frontera, C.; Beltran-Porter, D.; Palacin, M.R.; Fuertes, A.","A new intermediate intercalate in superconducting sodium-doped hafnium nitride chloride","Chemical Communications","2005","2005","","3352","3354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117507","3.587907","","3.587907","","29.67848","","90","","90","","120","","330.868","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Na0.25 Hf N Cl","","- Cl Hf N Na0.25 -","- Cl Hf N Na0.250015 -","- Cl6 Hf6 N6 Na1.50009 -","6","0.166667","","Oro-Sole, J.; Frontera, C.; Martinez, B.; Beltran-Porter, D.; Fuertes, A.; Palacin, M.R.","A new intermediate intercalate in superconducting sodium-doped hafnium nitride chloride","Chemical Communications","2005","2005","","3352","3354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7150000","5.773","0.001","22.641","0.003","10.86","0.02","90","","105.38","0.002","90","","1369","3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C22 H31 N O15 -","- C22 H31 N O15 -","- C44 H62 N2 O30 -","2","1","","Pritchard, Robin G.; Stoodley, Richard J.; Yuen, Wai-Hung","Studies related to carba-pyranoses: synthesis of acetylated derivatives of 4-amino-2,4-dideoxy-3-O-(beta-D-glucopyranosyl)-beta-L-(and beta-D-) altrocarba-pyranose from a D-glucose template.","Organic & biomolecular chemistry","2005","3","1","162","171","10.1039/b410556g","","x-ray","0.71069","MoKα","","0.1852","0.0617","","","0.0844","0.1141","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150001","5.356","0.002","6.688","0.002","16.787","0.007","90","","96.99","0.03","90","","596.9","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N O4 -","- C4 H5 N O4 -","- C16 H20 N4 O16 -","4","1","","Pritchard, Robin G.; Stoodley, Richard J.; Yuen, Wai-Hung","Studies related to carba-pyranoses: synthesis of acetylated derivatives of 4-amino-2,4-dideoxy-3-O-(beta-D-glucopyranosyl)-beta-L-(and beta-D-) altrocarba-pyranose from a D-glucose template.","Organic & biomolecular chemistry","2005","3","1","162","171","10.1039/b410556g","","x-ray","0.71073","MoKα","","0.0829","0.0534","","","0.1216","0.1404","","","","","","1.146","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150002","10.131","0.002","20.904","0.004","12.459","0.002","90","","92.53","0.03","90","","2636","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N3 O7 -","- C26 H35 N3 O7 -","- C104 H140 N12 O28 -","4","2","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.0439","0.0359","","","0.0845","0.0883","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150003","10.967","0.002","14.024","0.003","16.422","0.003","90","","90","","90","","2525.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N3 O7 -","- C24 H33 N3 O7 -","- C96 H132 N12 O28 -","4","1","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.1221","0.0647","","","0.1538","0.1809","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150004","9.491","0.002","9.73","0.002","28.504","0.006","90","","90","","90","","2632.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N3 O7 -","- C26 H37 N3 O7 -","- C104 H148 N12 O28 -","4","1","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.0592","0.0358","","","0.0665","0.0737","","","","","","0.948","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150005","20.362","0.002","7.2285","0.0013","10.2891","0.0014","90","","90","","90","","1514.4","0.4","175","2","175","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C20 H10 Ag Cl O4 -","- C20 H10 Ag Cl O4 -","- C80 H40 Ag4 Cl4 O16 -","4","0.5","","Elliott, Eric L.; Hernández, Gerardo A; Linden, Anthony; Siegel, Jay S.","Anion mediated structural motifs in silver(I) complexes with corannulene.","Organic & biomolecular chemistry","2005","3","3","407","413","10.1039/b411987h","","","0.71073","MoKα","","0.0818","0.0597","","","0.1483","0.1632","","","","","","1.067","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150006","12.6903","0.0015","22.206","0.002","12.8975","0.0017","90","","107.637","0.008","90","","3463.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H20 Ag2 F6 O6 S2 -","- C42 H20 Ag2 F6 O6 S2 -","- C168 H80 Ag8 F24 O24 S8 -","4","1","","Elliott, Eric L.; Hernández, Gerardo A; Linden, Anthony; Siegel, Jay S.","Anion mediated structural motifs in silver(I) complexes with corannulene.","Organic & biomolecular chemistry","2005","3","3","407","413","10.1039/b411987h","","","0.71073","MoKα","","0.0637","0.0496","","","0.1319","0.1609","","","","","","1.08","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150007","9.5741","0.0002","9.6621","0.0002","10.6735","0.0002","98.3042","0.0013","110.394","0.0013","101.488","0.0009","882.01","0.03","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 Ag2 B2 F8 -","- C20 H10 Ag2 B2 F8 -","- C40 H20 Ag4 B4 F16 -","2","1","","Elliott, Eric L.; Hernández, Gerardo A; Linden, Anthony; Siegel, Jay S.","Anion mediated structural motifs in silver(I) complexes with corannulene.","Organic & biomolecular chemistry","2005","3","3","407","413","10.1039/b411987h","","","0.71073","MoKα","","0.04","0.0301","","","0.0705","0.0752","","","","","","1.025","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7150008","3.9763","0.0003","11.8245","0.001","24.323","0.002","90","","94.353","0.007","90","","1140.31","0.16","122","","","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Pittelkow, Michael; Boas, Ulrik; Jessing, Mikkel; Jensen, Knud J.; Christensen, Jørn B","Role of the peri-effect in synthesis and reactivity of highly substituted naphthaldehydes: a novel backbone amide linker for solid-phase synthesis.","Organic & biomolecular chemistry","2005","3","3","508","514","10.1039/b412971g","","","0.71073","MoKα","","0.1029","0.0587","","","0.1606","0.19","","","","","","1.255","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150009","18.985","0.003","3.9181","0.0006","14.504","0.002","90","","103.443","0.011","90","","1049.3","0.3","122","","","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Pittelkow, Michael; Boas, Ulrik; Jessing, Mikkel; Jensen, Knud J.; Christensen, Jørn B","Role of the peri-effect in synthesis and reactivity of highly substituted naphthaldehydes: a novel backbone amide linker for solid-phase synthesis.","Organic & biomolecular chemistry","2005","3","3","508","514","10.1039/b412971g","","","0.71073","MoKα","","0.0875","0.0529","","","0.1476","0.1729","","","","","","1.176","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150010","9.766","0.003","9.337","0.002","13.7672","0.0017","90","","102.381","0.017","90","","1226.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 N O -","- C13 H23 N O -","- C52 H92 N4 O4 -","4","1","","Rejzek, Martin; Stockman, Robert A.; Hughes, David L.","Combining two-directional synthesis and tandem reactions: an efficient strategy for the total syntheses of (+/-)-hippodamine and (+/-)-epi-hippodamine.","Organic & biomolecular chemistry","2005","3","1","73","83","10.1039/b413052a","","","0.71069","Mo-Kα","","0.0814","0.047","","","0.1114","0.1362","","","","","","1.048","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150011","7.66","0.002","14.61","0.003","10.367","0.002","90","","91.13","0.03","90","","1160","0.4","140","1","140","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 N O -","- C13 H23 N O -","- C52 H92 N4 O4 -","4","1","","Rejzek, Martin; Stockman, Robert A.; Hughes, David L.","Combining two-directional synthesis and tandem reactions: an efficient strategy for the total syntheses of (+/-)-hippodamine and (+/-)-epi-hippodamine.","Organic & biomolecular chemistry","2005","3","1","73","83","10.1039/b413052a","","","0.71073","Mo-Kα","","0.0422","0.0389","","","0.1015","0.1034","","","","","","1.067","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150012","10.263","0.001","16.066","0.002","16.779","0.002","82.544","0.005","85.022","0.006","80.666","0.006","2700.8","0.5","173.1","","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C149 H116 N4 Zn -","- C100 H60 N4 Zn -","- C100 H60 N4 Zn -","1","0.5","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0554","0.0484","","","0.1467","0.1515","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150013","22.627","0.0013","22.627","0.0013","12.7634","0.0008","90","","90","","90","","6534.6","0.7","123.1","","123","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C162 H107 Br9 N4 -","- C132 H82 Br4 N4 -","- C264 H164 Br8 N8 -","2","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1168","0.089","","","0.2291","0.2378","","","","","","1.242","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150014","22.4739","0.0008","22.4739","0.0008","12.8564","0.0003","90","","90","","90","","6493.5","0.4","123.2","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C168 H110 Cl10 N4 Zn -","- C108 H60 N4 Zn -","- C216 H120 N8 Zn2 -","2","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0851","0.0684","","","0.1946","0.1987","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150015","19.39","0.001","19.39","0.001","36.077","0.002","90","","90","","90","","13563.9","1.2","173.2","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C180 H134 N4 -","- C180 H134 N4 -","- C720 H536 N16 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","","0.065","","","","0.1587","","","","","","1.117","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150016","19.3904","0.001","19.3904","0.001","36.077","0.002","90","","90","","90","","13564.5","1.2","173","2","173","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C180 H134 N4 -","- C108 H62 N4 -","- C432 H248 N16 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0789","0.0658","","","0.191","0.198","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150017","19.72","0.001","19.72","0.001","35.239","0.004","90","","90","","90","","13703.7","1.8","173.2","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C168 H134 Cl8 N4 O4 -","- C168 H134 Cl8 N4 O4 -","- C672 H536 Cl32 N16 O16 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","","0.0968","","","","0.2407","","","","","","1.214","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150018","19.612","0.003","19.612","0.002","36.445","0.008","90","","90","","90","","14018","4","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C180 H132 N4 Zn -","- C180 H132 N4 Zn -","- C720 H528 N16 Zn4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1355","0.0592","","","0.1342","0.1589","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150019","19.2176","0.0008","19.2176","0.0008","36.142","0.002","90","","90","","90","","13347.8","1.1","123.2","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C180 H132 N4 Ni -","- C180 H132 N4 Ni -","- C720 H528 N16 Ni4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","","0.0697","","","","0.173","","","","","","1.412","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150020","19.6502","0.001","19.6502","0.001","35.387","0.003","90","","90","","90","","13664","1.5","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C168 H132 Cl8 N4 Ni O4 -","- C108 H60 N4 Ni -","- C432 H240 N16 Ni4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.111","0.0747","","","0.1976","0.2036","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150021","19.2176","0.0008","19.2176","0.0008","36.142","0.002","90","","90","","90","","13347.8","1.1","123.1","","123","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C180 H132 N4 Ni -","- C132 H84 N4 Ni -","- C528 H336 N16 Ni4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0743","0.0614","","","0.164","0.17","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150022","16.2354","0.0018","18.758","0.003","19.2789","0.0017","78.364","0.009","63.381","0.006","88.391","0.01","5128","1.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C127 H88 Cl14 N4 -","- C114 H68 N4 -","- C228 H136 N8 -","2","1","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1245","0.0844","","","0.1909","0.2006","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150023","8.0407","0.0008","11.7673","0.0011","11.2852","0.001","90","","108.476","0.002","90","","1012.74","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 O6 -","- C7 H6 N4 O6 -","- C28 H24 N16 O24 -","4","1","","Katritzky, Alan R.; Scriven, Eric F. V.; Majumder, Suman; Akhmedova, Rena G.; Vakulenko, Anatoliy V.; Akhmedov, Novruz G.; Murugan, Ramiah; Abboud, Khalil A.","Preparation of nitropyridines by nitration of pyridines with nitric acid.","Organic & biomolecular chemistry","2005","3","3","538","541","10.1039/b413285h","","","0.71073","MoKα","","0.0496","0.0358","","","0.102","0.1057","","","","","","1.109","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150024","16.7651","0.0015","29.395","0.003","24.507","0.002","90","","95.993","0.007","90","","12011.3","1.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H64 N4 O12 -","- C64 H64 N4 O12 -","- C512 H512 N32 O96 -","8","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.2104","0.0948","","","0.2458","0.3033","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150025","14.1953","0.0007","14.6587","0.0007","15.3671","0.0007","111.121","0.004","92.666","0.004","99.425","0.004","2923.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H64 N4 O12 -","- C64 H64 N4 O12 -","- C128 H128 N8 O24 -","2","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.0605","0.0511","","","0.1427","0.1492","","","","","","1.047","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150026","13.4904","0.0006","14.1373","0.0007","17.7409","0.0008","83.459","0.004","69.464","0.004","76.454","0.004","3078.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H70 Cl2 N4 O12 -","- C67 H70 Cl2 N4 O12 -","- C134 H140 Cl4 N8 O24 -","2","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.106","0.0896","","","0.2944","0.3124","","","","","","1.29","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150027","10.3423","0.0007","13.161","0.0009","16.5605","0.0011","101.868","0.005","96.988","0.005","91.968","0.005","2185.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H58 N2 O8 -","- C48 H58 N2 O8 -","- C96 H116 N4 O16 -","2","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.0503","0.0388","","","0.1039","0.1077","","","","","","1.045","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150028","5.5369","0.0004","8.5297","0.0008","27.769","0.003","90","","90","","90","","1311.5","0.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Cobb, Alexander J. A.; Shaw, David M.; Longbottom, Deborah A.; Gold, Johan B.; Ley, Steven V.","Organocatalysis with proline derivatives: improved catalysts for the asymmetric Mannich, nitro-Michael and aldol reactions.","Organic & biomolecular chemistry","2005","3","1","84","96","10.1039/b414742a","","","0.71073","MoKα","","0.0855","0.0649","","","0.1626","0.1726","","","","","","1.17","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150029","6.4273","0.0003","15.6636","0.0008","18.992","0.0009","90","","90","","90","","1912.01","0.16","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 O S -","- C27 H20 O S -","- C108 H80 O4 S4 -","4","1","","ter Wiel, Matthijs K. J.; Vicario, Javier; Davey, Stephen G.; Meetsma, Auke; Feringa, Ben L.","New procedure for the preparation of highly sterically hindered alkenes using a hypervalent iodine reagent.","Organic & biomolecular chemistry","2005","3","1","28","30","","","","0.71073","MoKα","","0.0298","0.0292","","","0.0767","0.0773","","","","","","0.956","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150030","10.5744","0.0004","9.1217","0.0003","11.7111","0.0004","90","","115.825","0.002","90","","1016.8","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","stb8b1","","","- C11 H14 O2 S -","- C11 H14 O2 S -","- C44 H56 O8 S4 -","4","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.0522","0.0418","","","0.0963","0.1014","","","","","","1.181","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150031","7.5387","0.0005","6","0.0005","11.4544","0.0008","90","","91.308","0.005","90","","517.97","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","stb8b2","","","- C11 H14 O2 S -","- C11 H14 O2 S -","- C22 H28 O4 S2 -","2","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.1133","0.11","","","0.2717","0.2753","","","","","","1.179","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150032","20.9699","0.0009","20.9699","0.0009","11.2756","0.0006","90","","90","","90","","4958.3","0.4","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","pt1812","","","- C12 H19 N O2 S -","- C12 H19 N O2 S -","- C192 H304 N16 O32 S16 -","16","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.0866","0.0434","","","0.0804","0.093","","","","","","1.003","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150033","7.4377","0.0002","8.3035","0.0002","9.2515","0.0003","73.265","0.002","67.994","0.002","71.219","0.002","492.34","0.03","100","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N2 O5 -","- C8 H12 N2 O5 -","- C16 H24 N4 O10 -","2","1","","Hibbs, David E.; Overgaard, Jacob; Howard, Siân T; Nguyen, Thanh Ha","Experimental charge density of a potential DHO synthetase inhibitor: dimethyl-trans-2-oxohexahydro-pyrimidine-4,6-dicarboxylate.","Organic & biomolecular chemistry","2005","3","3","441","447","10.1039/b416118a","","","0.71069","MoKα","","0.0584","0.051","","","0.1431","0.1529","","","","","","1.063","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150034","6.6491","0.0004","6.8227","0.0004","25.8973","0.0014","90","","90","","90","","1174.83","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 I O2 -","- C12 H13 I O2 -","- C48 H52 I4 O8 -","4","1","","Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian","Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.","Organic & biomolecular chemistry","2005","3","5","809","815","10.1039/b416179c","","","0.71073","MoKα","","0.0158","0.015","","","0.0336","0.0338","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150035","4.9818","0.0005","9.4157","0.001","37.792","0.004","90","","90","","90","","1772.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian","Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.","Organic & biomolecular chemistry","2005","3","5","809","815","10.1039/b416179c","","","0.71073","MoKα","","0.0618","0.0432","","","0.0963","0.1036","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150036","7.997","0.002","12.221","0.002","11.812","0.002","90","","100.647","0.004","90","","1134.5","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","3-(Diethoxy-phosphoryl)-3-methyl-4-oxo-2-(toluene-4-sulfonylamino)- pentanoic acid ethyl ester","","- C19 H30 N O8 P S -","- C19 H30 N O8 P S -","- C38 H60 N2 O16 P2 S2 -","2","1","","Kjaersgaard, Anne; Jørgensen, Karl Anker","Catalytic asymmetric addition of beta-keto phosphonates to an activated imine‒formation of optically active functionalized phosphonate alpha-amino acid derivatives.","Organic & biomolecular chemistry","2005","3","5","804","808","10.1039/b416294c","","","0.71073","MoKα","","","0.033","","","","0.048","","","","","","1.188","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150037","8.3773","0.0002","9.1657","0.0003","12.7261","0.0004","94.81","0.001","96.374","0.001","108.948","0.001","910.99","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","","- C24 H21 O3 -","- C24 H21 O3 -","- C48 H42 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0879","0.0567","","","0.1596","0.2074","","","","","","1.165","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150038","8.3762","0.0002","9.1588","0.0003","12.7193","0.0004","94.893","0.001","96.401","0.001","108.872","0.001","909.89","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","","- C24 H21 O3 -","- C24 H21 O3 -","- C48 H42 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.133","0.1137","","","0.3574","0.3761","","","","","","1.711","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150039","8.3719","0.0004","9.1093","0.0005","12.6935","0.0007","97.482","0.002","103.946","0.002","109.425","0.003","862.3","0.08","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","","- C23 H19 O3 -","- C23 H19 O3 -","- C46 H38 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.2241","0.2028","","","0.5102","0.5249","","","","","","2.409","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150040","8.3763","0.0001","9.0965","0.0002","12.6943","0.0003","97.485","0.001","104.164","0.001","109.388","0.001","860.68","0.03","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","","- C23 H19 O3 -","- C23 H19 O3 -","- C46 H38 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.089","0.051","","","0.1457","0.2044","","","","","","1.107","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150041","8.3757","0.0001","9.1004","0.0001","12.6928","0.0002","97.541","0.001","104.053","0.001","109.405","0.001","861.14","0.02","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","","- C23 H19 O3 -","- C23 H19 O3 -","- C46 H38 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0486","0.0396","","","0.1032","0.1087","","","","","","1.048","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150042","8.3654","0.0001","9.0652","0.0001","12.873","0.0003","96.696","0.001","94.048","0.001","109.717","0.001","906.38","0.03","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol o-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol o-xylene clathrate","","- C24 H21 O3 -","- C24 H16 O3 -","- C48 H32 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.099","0.0904","","","0.2273","0.2341","","","","","","1.071","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150043","8.4902","0.0001","9.1923","0.0001","12.9946","0.0002","95.62","0.001","94.84","0.001","109.66","0.001","942.97","0.02","283","","283","","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","","- C24 H21 O3 -","- C24 H16 O3 -","- C48 H32 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0904","0.0746","","","0.2286","0.2463","","","","","","1.085","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150044","8.415","0.0002","18.2852","0.0003","12.7741","0.0004","95.637","0.001","94.919","0.001","109.717","0.001","1826.48","0.08","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","","- C48 H42 O6 -","- C48 H42 O6 -","- C96 H84 O12 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0914","0.0485","","","0.1133","0.13","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150045","10.197","0.005","16.139","0.008","10.043","0.005","90","","114.16","0.006","90","","1508","1.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 N2 O4 -","- C35 H36 N2 O4 -","- C70 H72 N4 O8 -","2","1","","Kawabata, Takeo; Majumdar, Swapan; Tsubaki, Kazunori; Monguchi, Daiki","Memory of chirality in intramolecular conjugate addition of enolates: a novel access to nitrogen heterocycles with contiguous quaternary and tertiary stereocenters.","Organic & biomolecular chemistry","2005","3","9","1609","1611","10.1039/b416535g","","","0.7107","MoKα","","0.0875","0.0621","","","0.1216","0.1359","","","","","","1.103","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150046","8.964","0.006","6.265","0.004","11.241","0.008","90","","107.109","0.018","90","","603.4","0.7","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,3'-Biquinoline","3,3'-Biquinoline","","- C18 H12 N2 -","- C18 H12 N2 -","- C36 H24 N4 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.1043","0.0433","","","0.0907","0.1035","","","","","","0.843","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150047","8.557","0.004","6.33","0.003","11.841","0.005","90","","106.689","0.006","90","","614.4","0.5","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7","2,2'-biquinazoline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0802","0.0547","","","0.1184","0.1328","","","","","","1.026","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150048","5.779","0.003","5.35","0.003","18.906","0.01","90","","91.466","0.007","90","","584.3","0.5","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8","2,2'-biquinoxaline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0438","0.0359","","","0.1067","0.1112","","","","","","1.064","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150049","22.523","0.017","3.912","0.003","6.979","0.005","90","","106.14","0.01","90","","590.7","0.8","163","2","163","2","","","","","","","","3","C 1 2 1","C 2y","5","4,4'-Biquinazoline","4,4'-Biquinazoline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0608","0.0457","","","0.1045","0.1082","","","","","","0.965","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150050","4.627","0.001","16.48","0.002","7.004","0.001","90","","94.34","0.01","90","","532.54","0.15","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,2'-Bibenzoxazole","2,2'-Bibenzoxazole","","- C14 H8 N2 O2 -","- C14 H8 N2 O2 -","- C28 H16 N4 O4 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0656","0.0441","","","0.1071","0.1126","","","","","","0.92","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150051","8.993","0.001","5.988","0.001","11.445","0.002","90","","110.87","0.01","90","","575.88","0.16","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2'-Bibenzothiazole","2,2'-Bibenzothiazole","","- C14 H8 N2 S2 -","- C14 H8 N2 S2 -","- C28 H16 N4 S4 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0483","0.0342","","","0.0841","0.0876","","","","","","0.928","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150052","7.277","0.003","7.639","0.003","19.94","0.008","90","","90","","90","","1108.4","0.8","168","2","168","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,1'-bibenzotriazole","1,1'-bibenzotriazole","","- C12 H8 N6 -","- C12 H8 N6 -","- C48 H32 N24 -","4","1","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0781","0.0558","","","0.1233","0.1331","","","","","","1.146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150053","13.3374","0.0017","7.6406","0.001","15.5158","0.0019","90","","98.311","0.004","90","","1564.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","28-epi-cyasterone 2","","","- C29 H50 O11 -","- C29 H44 O11 -","- C58 H88 O22 -","2","1","","Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori","Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.","Organic & biomolecular chemistry","2005","3","7","1227","1232","10.1039/b416868b","","","1.54184","CuKα","","0.2112","0.1447","","","0.3689","0.4073","","","","","","1.303","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150054","13.6542","0.0011","7.7755","0.0004","15.7636","0.0012","90","","100.215","0.003","90","","1647.1","0.2","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","cyasterone 1","","","- C32 H56 O11 -","- C32 H56 O11 -","- C64 H112 O22 -","2","1","","Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori","Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.","Organic & biomolecular chemistry","2005","3","7","1227","1232","10.1039/b416868b","","","1.54184","CuKα","","0.0667","0.0647","","","0.1674","0.1693","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150055","22.845","0.004","11.858","0.002","7.188","0.001","90","","90","","90","","1947.2","0.5","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1-Methyl-3-phenyl-5-(thienyl-2)-7,8- dimethoxypyrazolo(3,4)isoquinoline","1-Methyl-3-phenyl-5-(thienyl-2)-7,8-dimethoxypyrazolo[3,4]isoquinoline","","- C23 H19 N3 O2 S -","- C23 H19 N3 O2 S -","- C92 H76 N12 O8 S4 -","4","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.0528","0.0392","","","0.0797","0.0847","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150056","7.086","0.001","10.791","0.003","12.85","0.002","104.16","0.02","105.87","0.02","95.86","0.01","901.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","1-methyl-3-phenyl-7,8-dimethoxypyrazolo(3,4-c)isoquinoline, acetonitile solvate","1-methyl-3-phenyl-7,8-dimethoxypyrazolo[3,4-c]isoquinoline, acetonitile solvate","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C42 H40 N8 O4 -","2","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.0653","0.0404","","","0.0951","0.105","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150057","8.944","0.004","12.945","0.005","13.918","0.007","64.13","0.02","73.04","0.02","81","0.02","1386.1","1.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-(4-(dimethylamino)phenyl)-7,8-dimethoxypyrazolo(3,4- c)isoquinoline","5-{4-(dimethylamino)phenyl}- 7,8-dimethoxypyrazolo[3,4-c]isoquinoline","","- C35 H34 N4 O2 -","- C35 H34 N4 O2 -","- C70 H68 N8 O4 -","2","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.1166","0.0505","","","0.0787","0.0932","","","","","","0.835","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150058","10.113","0.002","10.206","0.002","29.277","0.007","90","","90","","90","","3021.8","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 O2 -","- C40 H36 O2 -","- C160 H144 O8 -","4","1","","Huang, Jin-Wen; Shi, Min","Carbolithiation of gem-aryl disubstituted methylenecyclopropanes.","Organic & biomolecular chemistry","2005","3","3","399","400","10.1039/b417139j","","","0.71073","MoKα","","0.2113","0.0555","","","0.0742","0.1046","","","","","","0.635","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150059","19.3595","0.0013","8.8441","0.0006","16.7833","0.0011","90","","115.701","0.001","90","","2589.3","0.3","115","2","115","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Foot, Jonathan S.; Giblin, Gerard M. P.; Whitwood, A. C.; Taylor, R. J. K.","Unexpected Z-stereoselectivity in the Ramberg-Bäcklund reaction of diarylsulfones leading to cis-stilbenes: the effect of aryl substituents and application in the synthesis of the integrastatin nucleus.","Organic & biomolecular chemistry","2005","3","5","756","763","10.1039/b418426b","","","0.71073","MoKα","","0.0421","0.0383","","","0.1048","0.1087","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150060","9.2508","0.0009","9.313","0.0009","15.5363","0.0015","100.325","0.002","90.36","0.002","99.592","0.002","1297.5","0.2","115","2","115","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","2","","Foot, Jonathan S.; Giblin, Gerard M. P.; Whitwood, A. C.; Taylor, R. J. K.","Unexpected Z-stereoselectivity in the Ramberg-Bäcklund reaction of diarylsulfones leading to cis-stilbenes: the effect of aryl substituents and application in the synthesis of the integrastatin nucleus.","Organic & biomolecular chemistry","2005","3","5","756","763","10.1039/b418426b","","","0.71073","MoKα","","0.0713","0.0427","","","0.0917","0.1019","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150061","9.7754","0.0007","9.7754","0.0007","20.3627","0.0019","90","","90","","120","","1685.1","0.2","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C9 H12 N6 O4 -","- C9 H12 N6 O4 -","- C54 H72 N36 O24 -","6","1","","Lin, Wenqing; Li, Hong; Ming, Xin; Seela, Frank","1,N6-Etheno-7-deaza-2,8-diazaadenosine: syntheses, properties and conversion to 7-deaza-2,8-diazaadenosine.","Organic & biomolecular chemistry","2005","3","9","1714","1718","10.1039/b418849g","","","0.71073","MoKα","","0.0424","0.0396","","","0.1159","0.1207","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150062","10.0036","0.0007","27.0011","0.0018","12.1811","0.0008","90","","95.159","0.001","90","","3276.9","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-hydroxy-3,6,11-trimethyl-1,2,4a,13a-tetrahydro-5,12-dioxa- dibenzo(a,e)cyclo-nonan-13-one","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","4","","Lemiègre, Loïc; Stevens, Richard L.; Combret, Jean-Claude; Maddaluno, Jacques","Ring fission of chiral cyclic acetals plus intramolecular [4 + 2] cycloaddition: a sequential access to medium-size lactones. Application to the synthesis of carbasugars.","Organic & biomolecular chemistry","2005","3","7","1308","1318","10.1039/b419381d","","","0.71073","MoKα","","0.0581","0.045","","","0.0854","0.0901","","","","","","1.035","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150063","9.3969","0.0003","10.5034","0.0003","10.5516","0.0004","71.075","0.001","88.902","0.002","81.541","0.001","973.97","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br N3 O -","- C22 H18 Br N3 O -","- C44 H36 Br2 N6 O2 -","2","1","","Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín","Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.","Organic & biomolecular chemistry","2005","3","7","1217","1226","10.1039/b500173k","","","0.7107","MoKα","","0.0409","0.0342","","","0.0812","0.085","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150064","25.8225","0.0003","10.7493","0.0002","15.627","0.0003","90","","117.694","0.001","90","","3840.74","0.12","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H24 N4 O -","- C21.5 H23.5 N4 O -","- C172 H188 N32 O8 -","8","1","","Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín","Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.","Organic & biomolecular chemistry","2005","3","7","1217","1226","10.1039/b500173k","","","0.7107","MoKα","","0.059","0.0519","","","0.1198","0.1259","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150065","5.7502","0.0001","29.873","0.001","9.1184","0.0003","90","","101.11","0.002","90","","1536.97","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","","Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín","Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.","Organic & biomolecular chemistry","2005","3","7","1217","1226","10.1039/b500173k","","","0.71073","MoKα","","0.1437","0.0587","","","0.1075","0.1347","","","","","","1.031","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150066","11.48","0.0003","12.8012","0.0004","28.1994","0.0008","90","","90","","90","","4144.1","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 Cu N4 O6 -","- C41 H56 Cu N4 O6 -","- C164 H224 Cu4 N16 O24 -","4","1","","Gottschaldt, Michael; Koth, Daniel; Görls, Helmar","Synthesis and crystal structure of a salen-type copper(II) complex derived from 3,5'-O-dimethyl-2',3'-diamino-2',3'-dideoxy-beta-D-xylo-uridine.","Organic & biomolecular chemistry","2005","3","7","1170","1171","10.1039/b500785b","","","0.71073","MoKα","","0.0775","0.0534","","","0.1039","0.1155","","","","","","1.065","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150067","5.7388","0.0001","9.4909","0.0001","38.243","0.0008","90","","90","","90","","2082.96","0.06","100","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 N O6 -","- C19 H33 N O6 -","- C76 H132 N4 O24 -","4","1","","Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam","Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.","Organic & biomolecular chemistry","2005","3","9","1795","1800","10.1039/b501503k","","x-ray","0.71073","MoKα","","0.0715","0.043","","","0.098","0.1113","","","","","","1.044","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150068","8.7774","0.0004","8.3066","0.0004","13.4961","0.0008","90","","96.211","0.0017","90","","978.23","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N O7 -","- C17 H31 N O7 -","- C34 H62 N2 O14 -","2","1","","Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam","Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.","Organic & biomolecular chemistry","2005","3","9","1795","1800","10.1039/b501503k","","x-ray","0.71073","MoKα","","0.0491","0.0437","","","0.1123","0.1169","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150069","6.3217","0.0002","13.4551","0.0004","17.512","0.0005","90","","93.06","0.0016","90","","1487.43","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","(1R,5S,5S)-Spiro(6,6-dimethyl-bicyclo(3.1.1)heptane)-2,5-(5,6- dihydro-(1,3)dithiolo(4,5-b)(1,4)dithiine-2-thione)","(1R,5S,5S)-Spiro[6,6-dimethyl-bicyclo[3.1.1]heptane]-2,5- [5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione]","","- C13 H16 S5 -","- C13 H16 S5 -","- C52 H64 S20 -","4","2","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0682","0.0422","","","0.0989","0.1131","","","","","","0.82","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150070","7.2322","0.0002","9.3635","0.0002","11.3961","0.0003","90","","106.405","0.0011","90","","740.31","0.03","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","(4aR,5R,7S,8aS)-4a,5,6,7,8,8a-Hexahydro-5,7-methano-4a,6,6- trimethyl-1,3-dithiolo(4,5-b)-(1,4)benzodithiin-2-thione","(4aR,5R,7S,8aS)-4a,5,6,7,8,8a-Hexahydro-5,7-methano-4a,6,6-trimethyl- 1,3-dithiolo[4,5-b]-[1,4]benzodithiin-2-thione","","- C13 H16 S5 -","- C13 H16 S5 -","- C26 H32 S10 -","2","1","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0418","0.0386","","","0.091","0.0932","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150071","7.609","0.0001","9.789","0.0002","20.1711","0.0005","90","","90","","90","","1502.43","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(4aR,7R,8S,8aS)-4a,5,6,7,8,8a-Hexahydro-7,8-isopropano-4a- methyl-1,3-dithiolo (4,5-b)(1,4)benzodithiin-2-thione","(4aR,7R,8S,8aS)-4a,5,6,7,8,8a-Hexahydro-7,8-isopropano-4a-methyl-1,3-dithiolo [4,5-b][1,4]benzodithiin-2-thione","","- C13 H16 S5 -","- C13 H16 S5 -","- C52 H64 S20 -","4","1","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0283","0.0253","","","0.0594","0.0603","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150072","14.324","0.006","22.806","0.006","26.47","0.008","90","","97.2","0.03","90","","8579","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.26 H53.06 F6 N O12.27 P -","- C42.265 H52.795 F6 N O12.265 P -","- C338.12 H422.36 F48 N8 O98.12 P8 -","8","1","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","","0.71073","MoKα","","0.1119","0.0578","","","0.1477","0.1901","","","","","","0.962","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150073","10.3429","0.0007","12.6823","0.0009","13.1381","0.0009","83.774","0.001","72.711","0.001","77.938","0.001","1607.17","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 F6 K O12 P -","- C28 H36 F6 K O12 P -","- C56 H72 F12 K2 O24 P2 -","2","1","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","","0.71073","MoKα","","0.0466","0.0392","","","0.095","0.0988","","","","","","1.035","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150074","13.8926","0.0014","12.4235","0.0011","8.2043","0.0008","90","","105.243","0.009","90","","1366.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","HW-trans-24C8","","","- C28 H36 O12 -","- C28 H36 O12 -","- C56 H72 O24 -","2","0.5","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","x-ray","0.71073","MoKα","","0.0845","0.0649","","","0.1886","0.2109","","","","","","1.139","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150075","16.84","0.002","19.447","0.003","19.41","0.002","90","","91.429","0.011","90","","6354.6","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[K-trans24c8][PF6]","","","- C28 H36 F6 K O12 P -","- C28 H36 F6 K O12 P -","- C224 H288 F48 K8 O96 P8 -","8","1","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","","0.71073","MoKα","","0.0756","0.0585","","","0.1704","0.1926","","","","","","1.139","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150076","7.7237","0.0007","9.8885","0.0009","11.0929","0.001","81.444","0.002","70.937","0.002","89.529","0.002","791.12","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(cyclopentadienyl)-p-toluoyltitanium bromide","","","- C18 H17 Br O Ti -","- C18 H17 Br O Ti -","- C36 H34 Br2 O2 Ti2 -","2","1","","Han, Zhenfu; Fujioka, Takuma; Usugi, Shin-Ichi; Yorimitsu, Hideki; Shinokubo, Hiroshi; Oshima, Koichiro","A new method for the synthesis of acyltitanium complexes and their application to copper-mediated acylmetallation of carbon-carbon multiple bonds in aqueous media.","Organic & biomolecular chemistry","2005","3","9","1622","1623","10.1039/b503117f","","","0.71073","MoKα","","0.0417","0.0335","","","0.0892","0.0926","","","","","","0.98","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150077","6.9505","0.0008","28.848","0.003","7.3706","0.0008","90","","116.961","0.002","90","","1317.2","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0512","0.041","","","0.0964","0.1006","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150078","5.1517","0.0014","11.726","0.003","18.705","0.005","90","","94.289","0.005","90","","1126.8","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O5 S -","- C10 H10 N2 O5 S -","- C40 H40 N8 O20 S4 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0746","0.0545","","","0.1061","0.1137","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150079","10.162","0.0008","21.4665","0.0017","5.435","0.0004","90","","90","","90","","1185.6","0.16","130","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H10 N2 O6 -","- C11 H10 N2 O6 -","- C44 H40 N8 O24 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.039","0.0375","","","0.0915","0.0924","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150080","11.503","0.002","7.7574","0.0016","12.737","0.003","90","","111.04","0.004","90","","1060.8","0.4","130","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0702","0.046","","","0.0923","0.0991","","","","","","0.94","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150081","11.1796","0.0017","7.2234","0.0011","12.745","0.002","90","","115.033","0.003","90","","932.5","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0783","0.0496","","","0.1028","0.1123","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150082","14.0459","0.0019","7.8502","0.0011","14.279","0.002","90","","115.424","0.002","90","","1422","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0426","0.0379","","","0.1012","0.1037","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150083","10.3778","0.0008","12.0317","0.001","11.3503","0.0009","90","","104.395","0.002","90","","1372.73","0.19","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O5 S -","- C13 H14 N2 O5 S -","- C52 H56 N8 O20 S4 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.048","0.0381","","","0.0853","0.0888","","","","","","0.975","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150084","6.1596","0.0006","7.902","0.0008","24.235","0.002","90","","90","","90","","1179.59","0.19","130","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O7 -","- C10 H9 N3 O7 -","- C40 H36 N12 O28 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0433","0.0381","","","0.0793","0.0814","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150085","5.225","0.002","15.283","0.009","43.03","0.01","90","","90","","90","","3436","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 N O5 -","- C41 H43 N O5 -","- C164 H172 N4 O20 -","4","1","","Masson, Géraldine; Philouze, Christian; Py, Sandrine","Cis-stereoselective SmI2-promoted reductive coupling of keto-nitrones: first synthesis of 1-epitrehazolamine.","Organic & biomolecular chemistry","2005","3","11","2067","2069","10.1039/b503981a","","","0.71073","MoKα","","0.0481","0.0481","","0.0516","","0.0516","","","1.839","","","1.839","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150086","11.2674","0.001","19.6076","0.0016","12.0348","0.001","90","","117.463","0.002","90","","2359.2","0.3","295","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O8 -","- C20 H32 O8 -","- C80 H128 O32 -","4","2","","Zammit, Steven C.; White, Jonathan M.; Rizzacasa, Mark A.","Enantiospecific synthesis of (-)-trachyspic acid.","Organic & biomolecular chemistry","2005","3","11","2073","2074","10.1039/b504258e","","","0.71073","MoKα","","0.0979","0.0457","","","0.074","0.0856","","","","","","0.787","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150087","23.6543","0.0005","30.2367","0.0001","31.2827","0.0006","90","","90","","90","","22374.3","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H82 N30 O31 Pt -","- C50 H56 N30 O31 Pt -","- C600 H672 N360 O372 Pt12 -","12","3","","Jeon, Young Jin; Kim, Soo-Young; Ko, Young Ho; Sakamoto, Shigeru; Yamaguchi, Kentaro; Kim, Kimoon","Novel molecular drug carrier: encapsulation of oxaliplatin in cucurbit[7]uril and its effects on stability and reactivity of the drug.","Organic & biomolecular chemistry","2005","3","11","2122","2125","10.1039/b504487a","","","0.71073","MoKα","","0.1643","0.0827","","","0.1744","0.2162","","","","","","1.04","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150088","12.723","0.001","5.3119","0.0003","17.908","0.001","90","","100.305","0.003","90","","1190.76","0.13","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 N3 O6 S -","- C22 H31 N3 O6 S -","- C44 H62 N6 O12 S2 -","2","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.08","","","","0.154","","","","","","1.389","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150089","11.2302","0.0004","5.539","0.0002","17.85","0.001","90","","95.444","0.002","90","","1105.33","0.08","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 N3 O5 S -","- C22 H29 N3 O5 S -","- C44 H58 N6 O10 S2 -","2","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.067","","","","0.067","","","","","","1.447","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150090","5.0426","0.0006","7.6092","0.0007","21.615","0.003","90","","90","","90","","829.37","0.17","293.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Cl N2 O -","- C6 H13 Cl N2 O -","- C24 H52 Cl4 N8 O4 -","4","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.046","","","","0.092","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150091","5.212","0.004","13.5426","0.0008","22.162","0.002","90","","90","","90","","1564.3","1.2","293.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.056","","","","0.109","","","","","","0.948","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150092","10.7","0.04","13.81","0.05","15.55","0.06","90","","90","","90","","2298","15","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Br K N5 O4 -","- C20 H31 Br K N5 O4 -","- C80 H124 Br4 K4 N20 O16 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.0823","0.0584","","","0.1436","0.1558","","","","","","0.984","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150093","8.321","0.007","9.079","0.007","14.321","0.012","101.75","0.02","101.706","0.016","103.15","0.02","995.6","1.4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N5 O S2 -","- C18 H26 N5 O S2 -","- C36 H52 N10 O2 S4 -","2","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.0682","0.0533","","","0.136","0.1444","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150094","9.572","0.002","23.209","0.005","10.117","0.002","90","","112.214","0.004","90","","2080.7","0.8","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N5 O4 -","- C20 H31 N5 O4 -","- C80 H124 N20 O16 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.1184","0.0539","","","0.1016","0.1216","","","","","","0.999","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150095","8.324","0.004","17.781","0.009","13.033","0.005","90","","103.797","0.013","90","","1873.3","1.5","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N5 O3 -","- C18 H27 N5 O3 -","- C72 H108 N20 O12 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.1343","0.0706","","","0.1572","0.186","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150096","12.683","0.006","14.165","0.006","23.626","0.01","90","","98.43","0.01","90","","4199","3","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N10 S6 -","- C36 H54 N10 S6 -","- C144 H216 N40 S24 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.1224","0.0683","","","0.1551","0.1807","","","","","","1.025","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150097","10.7399","0.0006","12.8444","0.0008","17.6182","0.0011","90","","90","","90","","2430.4","0.3","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O4 P -","- C29 H27 O4 P -","- C116 H108 O16 P4 -","4","1","","Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.","Organic & biomolecular chemistry","2005","3","4","630","637","10.1039/b413500h","","","0.71073","MoKα","","0.1374","0.069","","","0.1201","0.1428","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150098","13.165","0.0008","28.102","0.002","7.2735","0.0003","90","","90","","90","","2690.9","0.3","180","2","180","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.","Organic & biomolecular chemistry","2005","3","4","630","637","10.1039/b413500h","","","0.71073","MoKα","","0.0798","0.0579","","","0.1182","0.1265","","","","","","1.269","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150099","7.32","0.008","8.396","0.006","13.236","0.014","90","","90.07","0.09","90","","813.5","1.4","150","0.2","150","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Hayes, Christopher J.; Herbert, Nicola M. A.; Harrington-Frost, Nicole M; Pattenden, Gerald","alpha,beta-Unsaturated and cyclopropyl acyl radicals, and their ketene alkyl radical equivalents. Ring synthesis and tandem cyclisation reactions.","Organic & biomolecular chemistry","2005","3","2","316","327","10.1039/b413815p","","","0.71073","MoKα","","0.0651","0.0485","","","0.112","0.127","","","","","","1.05","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150100","10.245","0.002","7.16","0.0013","15.02","0.003","90","","107.943","0.004","90","","1048.2","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Broussy, Sylvain; Bernardes-Génisson, Vania; Gornitzka, Heinz; Bernadou, Jean; Meunier, Bernard","Studies on the 4-benzoylpyridine-3-carboxamide entity as a fragment model of the Isoniazid-NAD adduct.","Organic & biomolecular chemistry","2005","3","4","666","669","10.1039/b415439h","","","0.71073","MoKα","","0.0593","0.0411","","","0.0887","0.0962","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150101","8.889","0.001","11.196","0.001","13.856","0.001","90","","92.09","0.01","90","","1378","0.2","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H39 N3 O6 -","- C25 H39 N3 O6 -","- C50 H78 N6 O12 -","2","1","","Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh","Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study.","Organic & biomolecular chemistry","2005","3","4","661","665","10.1039/b415455j","","","0.71073","MoKα","","0.0925","0.0601","","","0.1092","0.1232","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150102","47.011","0.001","13.325","0.001","14.106","0.001","90","","95.26","0.01","90","","8799.1","0.9","198","2","198","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C76 H123 N9 O20 -","- C76 H121 N9 O20 -","- C304 H484 N36 O80 -","4","1","","Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh","Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study.","Organic & biomolecular chemistry","2005","3","4","661","665","10.1039/b415455j","","","0.71073","MoKα","","0.1121","0.0665","","","0.1548","0.1804","","","","","","1.019","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150103","25.9377","0.0017","31.857","0.002","26.5255","0.0018","90","","106.746","0.002","90","","20988","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C136 H191 N2 Na7 O69 S8 -","- C132 H134 N2 Na7 O67.5 S8 -","- C528 H536 N8 Na28 O270 S32 -","4","2","","Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald","Mutual induced fit in cyclodextrin-rocuronium complexes.","Organic & biomolecular chemistry","2005","3","10","1863","1871","10.1039/b415903a","","","0.6883","synchrotron","","0.2131","0.1806","","","0.4369","0.4681","","","","","","1.979","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150104","23.135","0.002","23.135","0.002","31.904","0.003","90","","90","","90","","17076","3","150","2","150","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C104 H83 Na8 O63 S8 -","- C104 H88 Na8 O59.52 S8 -","- C416 H352 Na32 O238.08 S32 -","4","0.25","","Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald","Mutual induced fit in cyclodextrin-rocuronium complexes.","Organic & biomolecular chemistry","2005","3","10","1863","1871","10.1039/b415903a","","","0.6883","synchrotron","","0.2","0.1842","","","0.4216","0.4435","","","","","","1.939","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7150105","15.44","0.002","15.483","0.002","17.971","0.003","112.852","0.003","99.09","0.003","103.334","0.003","3702.5","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C108 H192 N4 O88 -","- C108 H160 N4 O88 -","- C108 H160 N4 O88 -","1","1","","Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng","Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene.","Organic & biomolecular chemistry","2005","3","4","584","591","10.1039/b415946b","","","0.71073","MoKα","","0.1346","0.082","","","0.2006","0.2431","","","","","","1.051","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150106","15.46","0.004","32.209","0.008","15.512","0.004","90","","103.096","0.004","90","","7523","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H205 N6 O91.5 -","- C108 H156 N6 O91.5 -","- C216 H312 N12 O183 -","2","1","","Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng","Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene.","Organic & biomolecular chemistry","2005","3","4","584","591","10.1039/b415946b","","","0.71073","MoKα","","0.1371","0.0972","","","0.2595","0.2859","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150107","9.6984","0.0002","16.5958","0.0003","25.445","0.0006","90","","90","","90","","4095.44","0.15","93.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C192 H224 N32 O16 -","16","2","","Nitta, Makoto; Sakakida, Tsuyoshi; Miyabara, Hideo; Yamamoto, Hiroyuki; Naya, Shin-ichi","Novel synthesis, static and dynamic properties, and structural characteristics of 5-cyano[n](2,4)pyridinophane-6-ones (n= 9-6) and their chemical transformations.","Organic & biomolecular chemistry","2005","3","4","638","644","10.1039/b416013d","","","0.7107","MoKα","","","0.056","","","","0.098","","","","","","1.184","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150108","7.4175","0.0004","8.7683","0.0005","12.4464","0.0007","90","","90.586","0.001","90","","809.46","0.08","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 N O5 S -","- C5 H11 N O5 S -","- C20 H44 N4 O20 S4 -","4","1","","Kenworthy, Martin N.; Taylor, Richard J. K.","Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates.","Organic & biomolecular chemistry","2005","3","4","603","611","10.1039/b416477f","","","0.71073","MoKα","","0.0296","0.0279","","","0.0773","0.0784","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150109","7.3712","0.0005","7.4301","0.0005","9.0586","0.0006","66.362","0.001","87.942","0.001","64.538","0.001","404.73","0.05","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 N O5 S -","- C5 H11 N O5 S -","- C10 H22 N2 O10 S2 -","2","1","","Kenworthy, Martin N.; Taylor, Richard J. K.","Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates.","Organic & biomolecular chemistry","2005","3","4","603","611","10.1039/b416477f","","","0.71073","MoKα","","0.031","0.0291","","","0.0825","0.0841","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150110","17.705","0.002","21.289","0.002","19.354","0.002","90","","96.336","0.003","90","","7250.4","1.3","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 -","- C52 H40 -","- C416 H320 -","8","1","","Elliott, Eric L.; Orita, Akihiro; Hasegawa, Daiki; Gantzel, Peter; Otera, Junzo; Siegel, Jay S.","Synthesis and properties of 1,6,7,12,13,18,19,24-octamethylacenaphthyleno[b,l]tetraphenylene.","Organic & biomolecular chemistry","2005","3","4","581","583","10.1039/b416820h","","","0.71073","MoKα","","0.0693","0.0401","","","0.0997","0.108","","","","","","0.875","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150111","15.676","0.004","6.4009","0.0004","18.702","0.003","90","","112.578","0.008","90","","1732.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Br6 -","- C12 H18 Br6 -","- C48 H72 Br24 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0618","0.0451","","0.1116","0.1098","","","","1.001","1.163","1.163","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150112","6.574","0.0002","31.53","0.0006","7.667","0.0004","90","","108.03","0.006","90","","1511.16","0.11","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0415","0.0396","","0.105","0.1047","","","","1.101","1.144","1.144","","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150113","9.9321","0.001","13.1468","0.0005","11.9463","0.0005","90","","109.373","0.008","90","","1471.57","0.18","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0618","0.0496","","0.1349","0.132","","","","0.95","1.067","1.067","","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150114","11.4559","0.0014","7.4771","0.0013","17.7504","0.0008","90","","91.342","0.007","90","","1520","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0566","0.0442","","0.1089","0.1075","","","","0.967","1.117","1.117","","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150115","7.733","","15.842","","10.62","","90","","102.83","","90","","1268.53","","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 Br2 -","- C12 H18 Br2 -","- C48 H72 Br8 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","Mokalpha","","","0.079","","","","0.076","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"7150116","10.2529","0.0007","13.9866","0.0017","14.4984","0.0013","75.851","0.007","79.144","0.007","83.639","0.008","1975.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 Br6 N -","- C14 H21 Br6 N -","- C56 H84 Br24 N4 -","4","2","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71073","MoKα","","0.0634","0.0484","","","0.1124","0.1201","","","","","","1.028","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150117","17.163","0.002","12.517","0.001","14.25","0.001","90","","90","","90","","3061.3","0.5","","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C96 H144 Br32 -","8","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","Mokα","","","0.068","","","","0.087","","","","","","","","","","has coordinates","277892","2022-09-15","16:23:53",""
"7150118","11.67","0.002","28.998","0.006","10.483","0.003","90","","90","","90","","3547.5","1.4","","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Br6 -","- C12 H18 Br6 -","- C96 H144 Br48 -","8","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","MoKα","","","0.054","","","","0.072","","","","","","","","","","has coordinates","277893","2022-09-15","16:27:41",""
"7150119","10.057","0.002","13.722","0.003","15.423","0.003","72.17","0.03","80.39","0.03","86.9","0.03","1997.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9.43 N3 O -","- C12.9294 H9.42857 N2.98371 O0.994571 -","- C90.506 H66 N20.886 O6.962 -","7","3.5","","Jónsson, Stefán; Arribas, Carlos Solano; Wendt, Ola F.; Siegel, Jay S.; Wärnmark, Kenneth","Synthesis of 2-pyridone-fused 2,2'-bipyridine derivatives. An unexpectedly complex solid state structure of 3,6-dimethyl-9H-4,5,9-triazaphenanthren-10-one.","Organic & biomolecular chemistry","2005","3","6","996","1001","10.1039/b417485b","","","0.71073","MoKα","","0.2038","0.0977","","","0.283","0.3289","","","","","","1.149","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150120","15.358","0.0004","15.358","0.0004","20.1237","0.0012","90","","90","","120","","4110.6","0.3","130","2","130","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C39 H24 O3 -","- C39 H24 O3 -","- C234 H144 O18 -","6","0.5","","Wooi, Goh Yit; White, Jonathan M.","Structural manifestations of the cheletropic reaction.","Organic & biomolecular chemistry","2005","3","6","972","974","10.1039/b417538g","","","0.71073","MoKα","","0.0966","0.0497","","","0.0773","0.0881","","","","","","0.887","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150121","20.7668","0.0018","10.7728","0.0008","25.164","0.0018","90","","104.376","0.002","90","","5453.3","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H26.5 N1.5 O -","- C38 H26.5 N1.5 O -","- C304 H212 N12 O8 -","8","1","","Wooi, Goh Yit; White, Jonathan M.","Structural manifestations of the cheletropic reaction.","Organic & biomolecular chemistry","2005","3","6","972","974","10.1039/b417538g","","","0.71073","MoKα","","0.0526","0.0481","","","0.1329","0.1369","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150122","10.0236","0.0011","10.4368","0.0011","12.1152","0.0013","109.755","0.002","103.475","0.002","90.167","0.002","1155.4","0.2","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H22 O3 -","- C35 H22 O3 -","- C70 H44 O6 -","2","1","","Wooi, Goh Yit; White, Jonathan M.","Structural manifestations of the cheletropic reaction.","Organic & biomolecular chemistry","2005","3","6","972","974","10.1039/b417538g","","","0.71073","","","0.0788","0.0456","","","0.0676","0.0753","","","","","","0.803","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150123","7.0435","0.0001","16.1734","0.0004","16.3288","0.0004","90","","90","","90","","1860.13","0.07","200","","200","","","","","","","","?","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C.","A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer.","Organic & biomolecular chemistry","2005","3","6","1081","1088","10.1039/b417685e","","","0.71073","MoKα","","0.0431","0.0276","","0.034","0.0297","0.0297","","","","","","1.1307","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150124","18.685","0.0002","18.685","0.0002","12.2539","0.0001","90","","90","","120","","3705.03","0.06","200","","","","","","","","","","Local laboratory","3","P 31","P 31","144","","","","- C16 H26 O6 -","- C16 H26 O6 -","- C144 H234 O54 -","9","3","","Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C.","A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer.","Organic & biomolecular chemistry","2005","3","6","1081","1088","10.1039/b417685e","","","0.71073","MoKα","","0.043","0.038","","0.05","0.048","0.048","","","1.281","1.292","1.292","1.292","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150125","17.357","0.008","13.487","0.005","14.83","0.006","90","","90","","90","","3472","2","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C46 H38 O6 -","- C46 H32 O6 -","- C184 H128 O24 -","4","0.5","","Tellenbröker, Jörg; Barth, Dieter; Neumann, Beate; Stammler, Hans-Georg; Kuck, Dietmar","Methoxy-substituted centrohexaindanes through the fenestrane route.","Organic & biomolecular chemistry","2005","3","4","570","571","10.1039/b417837h","","","0.71073","MoKα","","0.1294","0.0753","","","0.1787","0.2126","","","","","","1.018","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150126","12.543","0.006","7.122","0.003","12.956","0.006","90","","102.4","0.03","90","","1130.4","0.9","188","2","188","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4`-diformylphenyl ether","","","- C14 H10 O3 -","- C14 H10 O3 -","- C56 H40 O12 -","4","1","","Kuhnert, Nikolai; Burzlaff, Nicolai; Patel, Chirag; Lopez-Periago, Ana","Tuning the size of macrocyclic cavities in trianglimine macrocycles.","Organic & biomolecular chemistry","2005","3","10","1911","1921","10.1039/b417941b","","","0.71073","MoKα","","0.0744","0.0495","","","0.1211","0.1366","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150127","6.7991","0.0003","14.3737","0.0007","18.467","0.0008","90","","90","","90","","1804.75","0.14","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B F4 O3 S -","- C17 H25 B F4 O3 S -","- C68 H100 B4 F16 O12 S4 -","4","1","","Aggarwal, Varinder K.; Hebach, Christina","Carboxylate-stabilised sulfur ylides (thetin salts) in asymmetric epoxidation for the synthesis of glycidic acids. Mechanism and implications.","Organic & biomolecular chemistry","2005","3","8","1419","1427","10.1039/b418740g","","","0.71073","MoKα","","0.0319","0.0292","","","0.0745","0.0761","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7150128","8.5216","0.0013","8.6643","0.0013","10.4987","0.0016","92.857","0.003","96.328","0.003","113.673","0.003","701.82","0.19","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C31 H38 O9 -","1","1","","Loeb, Stephen J.; Tramontozzi, David A.","Branched [n]rotaxanes (n = 2-4) from multiple dibenzo-24-crown-8 ether wheels and 1,2-bis(4,4'-dipyridinium)ethane axles.","Organic & biomolecular chemistry","2005","3","8","1393","1401","10.1039/b418772e","","","0.71073","MoKα","","0.1038","0.0965","","","0.2346","0.2429","","","","","","1.146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150129","5.6","0.001","24.29","0.002","7.74","0.001","90","","96.24","0.004","90","","1046.6","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4R-(1R-hydroxy-(4-nitrophenyl)-methyl)-1,3-oxazolidin-2-one","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","2","","Cwik, Agnieszka; Fuchs, Aliz; Hell, Zoltán; Böjtös, Ildikó; Halmai, Dóra; Bombicz, Petra","Modified Mg : Al hydrotalcite in the synthesis of oxazolidin-2-ones.","Organic & biomolecular chemistry","2005","3","6","967","969","10.1039/b418848a","","","1.54178","CuKα","","0.0478","0.0452","","","0.0867","0.0885","","","","","","0.909","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150130","9.891","0.005","10.066","0.005","11.732","0.005","90","","96.743","0.005","90","","1160","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-isopropyl-4H-3-oxo-1,9a,10-triazaanthracen-9-one","4-isopropyl-4H-3-oxo-1,9a,10-triazaanthracen-9-one","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Coogan, Michael P.; Ooi, Li-ling; Pertusati, Fabrizio","Synthesis of unsymmetrical 3,3'-biquinazoline-2,2'-diones by condensation of 3-aminoquinazolinones with benzoxazinones; fortuitous discovery, and further syntheses of 4-H-3-oxo-1,9a,10-triazaanthracen-9-ones.","Organic & biomolecular chemistry","2005","3","6","1134","1139","10.1039/b419108k","","","0.71069","MoKα","","0.0974","0.0584","","","0.141","0.1609","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150131","10.6747","0.0006","12.0073","0.0003","15.319","0.0011","101.634","0.003","99.209","0.004","90.717","0.004","1896.34","0.18","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.1544","0.0775","","","0.211","0.2478","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150132","14.266","0.006","12.599","0.004","19.587","0.004","90","","100.86","0.02","90","","3457","2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C132 H180 N12 O24 -","12","3","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.1816","0.0478","","","0.1214","0.1588","","","","","","0.971","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150133","10.0678","0.0016","12.211","0.003","9.0829","0.0012","97.147","0.015","92.285","0.015","109.753","0.014","1038.7","0.4","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H36 N2 O3 -","- C19 H34 N2 O3 -","- C38 H68 N4 O6 -","2","1","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.3179","0.0688","","","0.1691","0.2319","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150134","12.233","0.004","13.207","0.004","11.841","0.004","105.46","0.02","109.07","0.03","90.81","0.03","1731.8","1.1","298","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N2 O3 -","- C16 H24 N2 O3 -","- C64 H96 N8 O12 -","4","2","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.1885","0.0605","","","0.1706","0.2267","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150135","13.2912","0.0006","13.0775","0.0005","12.1094","0.0005","90","","90","","90","","2104.8","0.15","200","","200","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C20 H35 N3 O3 -","- C20 H35 N3 O3 -","- C80 H140 N12 O12 -","4","0.5","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.0445","0.0387","","","0.0906","0.0928","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150136","10.5772","0.0004","17.2951","0.0007","9.394","0.0004","90","","109.781","0.001","90","","1617.08","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F2 N3 O3 S -","- C16 H15 F2 N3 O3 S -","- C64 H60 F8 N12 O12 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.0542","0.0505","","","0.1276","0.1317","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150137","31.208","0.004","5.051","0.001","21.756","0.002","90","","110.08","0.01","90","","3221","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 F3 N3 O2 S -","- C16 H12 F3 N3 O2 S -","- C128 H96 F24 N24 O16 S8 -","8","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.0695","0.0445","","","0.1021","0.1176","","","","","","1.043","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150138","10.614","0.002","7.484","0.001","20.523","0.003","90","","96.25","0.01","90","","1620.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F2 N3 O2 S -","- C16 H13 F2 N3 O2 S -","- C64 H52 F8 N12 O8 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.064","0.0419","","","0.1017","0.1139","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150139","15.9809","0.001","9.4557","0.0006","10.5313","0.0007","90","","90.471","0.001","90","","1591.34","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C64 H68 N12 O12 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","0.71073","MoKα","","0.0467","0.037","","","0.0928","0.0978","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150140","8.3741","0.0005","19.8459","0.0013","10.4665","0.0007","90","","108.845","0.001","90","","1646.2","0.18","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F3 N3 O3 S -","- C16 H14 F3 N3 O3 S -","- C64 H56 F12 N12 O12 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","0.71073","MoKα","","0.0355","0.0295","","","0.0767","0.0788","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150141","8.46","0.001","16.282","0.002","10.706","0.001","90","","107.52","0.01","90","","1406.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 F3 N2 -","- C16 H11 F3 N2 -","- C64 H44 F12 N8 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.0818","0.0461","","","0.1104","0.1322","","","","","","0.99","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150142","5.0885","0.0003","15.5224","0.0017","16.5379","0.0016","102.839","0.008","95.947","0.006","94.025","0.007","1260.9","0.2","150","","150","","","","","","","","see text","5","P -1","-P 1","2","","","","- C25 H37 N2 O4 S2 -","- C25 H37 N2 O4 S2 -","- C50 H74 N4 O8 S4 -","2","1","","Marsman, Albert W.; van Poecke, Bart L. A.; Jenneskens, Leonardus W.; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H.","4-(Tetrahydro-4H-thiopyran-1-oxide-4-ylidene)-cyclohexanone oxime in the solid-state. A two-dimensional network of enantiomorphous chains interconnected by weak hydrogen bonds.","Organic & biomolecular chemistry","2005","3","8","1402","1409","10.1039/b500527b","","","0.71073","MoKα","","0.1689","0.101","","","0.2367","0.2801","","","","","","1.035","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150143","13.383","0.0004","7.0716","0.0002","13.9236","0.0005","90","","110.93","0.0015","90","","1230.77","0.07","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C54 H68 N4 O8 -","2","1","","Davies, Stephen G.; Rodriguez-Solla, Humberto; Tamayo, Juan A.; Cowley, Andrew R.; Concellon, Carmen; Garner, A. Christopher; Parkes, Alastair L.; Smith, Andrew D.","Asymmetric conjugate reductions with samarium diiodide: asymmetric synthesis of (2S,3R)- and (2S,3S)-[2-2H,3-2H]-leucine-(S)-phenylalanine dipeptides and (2S,3R)-[2-(2)H,3-2H]-phenylalanine methyl ester.","Organic & biomolecular chemistry","2005","3","8","1435","1447","10.1039/b500566c","","","0.71073","MoKα","","","0.0316","","","","0.0354","","","","","","1.0513","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150144","6.2236","0.0012","9.575","0.002","10.455","0.002","90","","92.63","0.01","90","","622.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Glytham","(4aR*,4bR*,8aS*,8bS*)-[6a-(Hydroxymethyl)hexahydro-2H,6H-1,4,5,8-tetraoxa- 6b,8c-diazadicyclopent[cd,ij]-s-indacen-2(3H)-yl]methanol","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C24 H36 N4 O12 -","2","0.5","","Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio","Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.","Organic & biomolecular chemistry","2005","3","8","1489","1494","10.1039/b500580a","","","0.71073","MoKα","","0.0373","0.0338","","","0.0944","0.0967","","","","","","1.047","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150145","15.63","0.0019","12.6665","0.0015","7.9832","0.001","90","","93.946","0.003","90","","1576.7","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(1R*,2R*,5S*)-1-Hydroxymethyl-4,5-diphenyl-3,6-dioxa-8-azabicyclo[3.2.1]octan- 4-ol","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio","Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.","Organic & biomolecular chemistry","2005","3","8","1489","1494","10.1039/b500580a","","","0.71073","MoKα","","0.0357","0.0328","","","0.0811","0.0845","","","","","","1.122","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150146","12.47","0.008","15.549","0.008","16.864","0.003","90","","98.63","0.04","90","","3233","3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H41 N3 O7 -","- C37 H41 N3 O7 -","- C148 H164 N12 O28 -","4","1","","Banthia, Sandip; Samanta, Anunay","Calix[4]azacrown and 4-aminophthalimide-appended calix[4]azacrown: synthesis, structure, complexation and fluorescence signaling behaviour.","Organic & biomolecular chemistry","2005","3","8","1428","1434","10.1039/b500912j","","","0.71073","MoKα","","0.2698","0.0654","","","0.0855","0.1298","","","","","","0.96","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150147","12.7722","0.0018","15.865","0.002","20.138","0.003","78.132","0.002","71.638","0.002","69.81","0.002","3613.3","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H86 Cl2 N6 O25 -","- C72 H80 Cl2 N6 O25 -","- C144 H160 Cl4 N12 O50 -","2","1","","Banthia, Sandip; Samanta, Anunay","Calix[4]azacrown and 4-aminophthalimide-appended calix[4]azacrown: synthesis, structure, complexation and fluorescence signaling behaviour.","Organic & biomolecular chemistry","2005","3","8","1428","1434","10.1039/b500912j","","","0.71073","MoKα","","0.172","0.091","","","0.2634","0.3236","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150148","6.622","0.002","8.534","0.002","39.364","0.013","90","","90","","90","","2224.5","1.1","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methyl 6,7-di(benzoyloxy)-2,2-dimethylperhydro-1,3- benzodioxole-4-carboxylate","Methyl 6,7-di(benzoyloxy)-2,2-dimethylperhydro-1,3-benzodioxole-4-carboxylate","","- C25 H26 O8 -","- C25 H26 O8 -","- C100 H104 O32 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.","Chemoenzymatic synthesis of carbasugars from iodobenzene.","Organic & biomolecular chemistry","2005","3","10","1953","1963","10.1039/b502009c","","","0.71073","MoKα","","0.2819","0.0963","","","0.1863","0.26","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150149","5.871","0.003","9.395","0.004","16.257","0.007","87.588","0.007","86.434","0.007","81.819","0.007","885.4","0.7","150","2","150","2","","","","","","","","3","P 1","P 1","1","Methyl(1R,2S,3R,4R,5S)-2,3,4,5-tetra(acetyloxy)cyclohexane-1- carboxylate","Methyl(1R,2S,3R,4R,5S)-2,3,4,5-tetra(acetyloxy)cyclohexane-1-carboxylate","","- C16 H22 O10 -","- C16 H22 O10 -","- C32 H44 O20 -","2","2","","Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.","Chemoenzymatic synthesis of carbasugars from iodobenzene.","Organic & biomolecular chemistry","2005","3","10","1953","1963","10.1039/b502009c","","","0.71073","MoKα","","0.1069","0.0671","","","0.1686","0.1891","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150150","11.8427","0.0009","6.0131","0.0003","20.0259","0.0011","90","","90.914","0.005","90","","1425.89","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O2 Te -","- C17 H12 O2 Te -","- C68 H48 O8 Te4 -","4","1","","Fry, Fiona H.; Holme, Andrea L.; Giles, Niroshini M.; Giles, Gregory I.; Collins, Catriona; Holt, Kim; Pariagh, Sandra; Gelbrich, Thomas; Hursthouse, Michael B.; Gutowski, Nick J.; Jacob, Claus","Multifunctional redox catalysts as selective enhancers of oxidative stress.","Organic & biomolecular chemistry","2005","3","14","2579","2587","10.1039/b502197a","","","0.71073","MoKα","","0.0424","0.0327","","","0.0804","0.0849","","","","","","1.019","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150151","9.3004","0.0005","14.8301","0.0009","11.6244","0.0004","90","","108.528","0.003","90","","1520.2","0.14","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Br O4 -","- C16 H21 Br O4 -","- C64 H84 Br4 O16 -","4","1","","Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon","A synthesis of (+/-)-sparteine.","Organic & biomolecular chemistry","2005","3","8","1557","1567","10.1039/b502213d","","","0.71073","MoKα","","0.0637","0.0473","","","0.1163","0.1242","","","","","","1.092","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150152","9.6393","0.0002","9.6637","0.0002","17.7208","0.0004","78.728","0.001","79.019","0.001","76.781","0.001","1557.5","0.06","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","2","","Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon","A synthesis of (+/-)-sparteine.","Organic & biomolecular chemistry","2005","3","8","1557","1567","10.1039/b502213d","","","0.71073","MoKα","","0.0419","0.0376","","","0.0875","0.0904","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150153","6.4839","0.0004","12.5501","0.001","13.7734","0.0007","90","","90","","90","","1120.79","0.13","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Cl N2 O3 -","- C10 H15 Cl N2 O3 -","- C40 H60 Cl4 N8 O12 -","4","1","","Duggan, Heather M. E.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of 5/7-, 5/8- and 5/9-bicyclic lactam templates as constraints for external beta-turns.","Organic & biomolecular chemistry","2005","3","12","2287","2295","10.1039/b503014e","","x-ray","0.71073","MoKα","","0.0454","0.0364","","","0.076","0.0802","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150154","6.0476","0.0001","10.1799","0.0003","32.0263","0.0009","90","","90","","90","","1971.67","0.09","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N3 O5 S -","- C20 H21 N3 O5 S -","- C80 H84 N12 O20 S4 -","4","1","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.0364","0.0325","","","0.0734","0.076","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150155","15.717","0.003","6.1884","0.0012","39.42","0.008","90","","90","","90","","3834.1","1.3","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H25 N O2 S2 -","- C20 H25 N O2 S2 -","- C160 H200 N8 O16 S16 -","8","2","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.0583","0.0418","","","0.0976","0.1047","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150156","8.5638","0.0003","14.0302","0.0005","23.1201","0.0009","90","","90","","90","","2777.92","0.18","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H20 Cl N S -","- C13 H20 Cl N S -","- C104 H160 Cl8 N8 S8 -","8","1","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.085","0.0699","","","0.1926","0.2037","","","","","","1.189","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150157","24.525","0.005","8.188","0.002","26.609","0.004","90","","116.853","0.014","90","","4767.2","1.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","(8a R,14a R,14b S)-11-(Carboxyethyl)-9,9-dimethyl-5,7,8,8a,9,9a,14a,15- octa-hydro-14H-benzo[g]quinolino-[2,3-a]quinolidine","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","2","","Koepler, Oliver; Mazzini, Stefania; Bellucci, Maria Cristina; Mondelli, Rosanna; Baro, Angelika; Laschat, Sabine; Hotfilder, Marc; Viseur, Christophle; Frey, Wolfgang","Synthesis and DNA binding properties of novel benzo[b]isoquino[2,3-h]-naphthyridines.","Organic & biomolecular chemistry","2005","3","15","2848","2858","10.1039/b503281d","","","0.71073","MoKα","","0.1373","0.0806","","","0.2046","0.2376","","","","","","1.022","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150158","22.385","0.006","16.653","0.004","7.093","0.004","90","","90","","90","","2644.1","1.8","293","","293","","","","","","","","?","6","P b c n","-P 2n 2ab","60","potassium salt of bis (N- (trifluoromethylsulfonylimino))trifluoro-methanesulfonic acid","potassium salt of bis [N-(trifluoromethylsulfonylimino)]trifluoro- methanesulfonic acid","","- C3 F9 K N2 O5 S3 -","- C3 F9 K N2 O5 S3 -","- C24 F72 K8 N16 O40 S24 -","8","1","","Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.","Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.","Organic & biomolecular chemistry","2005","3","12","2239","2243","10.1039/b503286p","","","0.71073","MoKα","","0.1687","0.0674","","0.0831","0.0649","0.0649","","","","","","1.1658","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150159","13.479","0.007","11.203","0.004","24.545","0.008","90","","90","","90","","3706","3","293","","293","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","potassium solt of N-bis(N- (trifluoromethylsulfonylimido))trifluoromethane-sulfoximidoyl imide","potassium solt of N-bis[N-(trifluoromethylsulfonylimido)]trifluoromethane- sulfoximidoyl imide","","- C4 F12 K N3 O6 S4 -","- C4 F12 K N3 O6 S4 -","- C32 F96 K8 N24 O48 S32 -","8","1","","Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.","Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.","Organic & biomolecular chemistry","2005","3","12","2239","2243","10.1039/b503286p","","","0.71073","MoKα","","0.1409","0.0401","","0.0833","0.0443","0.0443","","","","","","1.1501","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150160","17.354","0.0002","9.797","0.0001","17.737","0.0002","90","","104.153","0.001","90","","2924.06","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 N O2 -","- C14 H25 N O2 -","- C112 H200 N8 O16 -","8","2","","Feuillet, Fred J. P.; Cheeseman, Matt; Mahon, Mary F.; Bull, Steven D.","Stereoselective synthesis of (E)-trisubstituted alpha,beta-unsaturated amides and acids.","Organic & biomolecular chemistry","2005","3","16","2976","2989","10.1039/b503633j","","","0.71073","MoKα","","0.0818","0.0453","","","0.1035","0.1198","","","","","","1.007","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150161","11.4775","0.0005","11.1987","0.0005","24.918","0.001","90","","90","","90","","3202.8","0.2","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N'-Cyclopent-2-enyl-N'-(2-oxo-oxazolidine-3-carbonyl)- hydrazinecarboxylic acid 2,2,2-tricloro-ethyl ester","","- C12 H14 Cl3 N3 O5 -","- C12 H14 Cl3 N3 O5 -","- C96 H112 Cl24 N24 O40 -","8","1","","Aburel, Pompiliu S.; Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Catalytic and enantioselective aza-ene and hetero-Diels-Alder reactions of alkenes and dienes with azodicarboxylates.","Organic & biomolecular chemistry","2005","3","12","2344","2349","10.1039/b503744a","","","0.71073","MoKα","","","0.048","","","","0.054","","","","","","1.54","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150162","12.9893","0.0012","22.218","0.002","5.2165","0.0005","90","","90","","90","","1505.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C11 H22 N6 O4 -","- C11 H20 N6 O4 -","- C44 H80 N24 O16 -","4","1","","Hysell, Michelle; Siegel, Jay S.; Tor, Yitzhak","Synthesis and stability of exocyclic triazine nucleosides.","Organic & biomolecular chemistry","2005","3","16","2946","2952","10.1039/b503757c","","","0.71073","MoKα","","0.0581","0.0526","","","0.1361","0.1396","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150163","15.095","0.001","10.338","0.006","11.718","0.005","90","","97.582","0.004","90","","1812.6","1.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 N O6 S -","- C16 H27 N O6 S -","- C64 H108 N4 O24 S4 -","4","1","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.123","0.0943","","","0.2759","0.295","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150164","6.8076","0.0009","9.3008","0.0012","12.201","0.0018","96.4","0.008","105.284","0.009","92.286","0.009","738.62","0.18","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 O5 S -","- C14 H22 O5 S -","- C28 H44 O10 S2 -","2","1","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.0441","0.0368","","","0.0994","0.1012","","","","","","1.008","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150165","10.927","0.008","8.372","0.006","14.62","0.01","90","","96.444","0.014","90","","1329","1.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 N O4 S -","- C12 H18 N O4 S -","- C48 H72 N4 O16 S4 -","4","2","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.0938","0.0842","","","0.2226","0.2352","","","","","","0.93","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150166","6.9456","0.0005","8.5692","0.0005","12.8364","0.0008","95.764","0.004","92.302","0.003","113.556","0.003","694.09","0.08","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N2 O10 P2 -","- C24 H34 N2 O10 P2 -","- C24 H34 N2 O10 P2 -","1","0.5","","Siu, Jason; Baxendale, Ian R.; Lewthwaite, Russell A.; Ley, Steven V.","A phase-switch purification approach for the expedient removal of tagged reagents and scavengers following their application in organic synthesis.","Organic & biomolecular chemistry","2005","3","17","3140","3160","10.1039/b503778f","","","0.71073","MoKα","","0.0678","0.0575","","","0.1411","0.1479","","","","","","1.079","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150167","22.3809","0.0009","17.2516","0.0008","9.034","0.001","90","","90","","90","","3488.1","0.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C168 H160 O32 -","8","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0575","","","","0.2055","","","","","","1.934","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150168","8.471","0.001","11.811","0.002","16.531","0.003","90","","90","","90","","1653.9","0.5","296.2","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0606","","","","0.1894","","","","","","1.744","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150169","9.275","0.001","13.425","0.002","7.83","0.001","106.14","0.01","114.52","0.01","71.4","0.01","828.6","0.2","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C36 H40 O12 -","2","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0564","","","","0.2208","","","","","","1.913","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150170","11.759","0.001","9.091","0.002","15.774","0.001","90","","103.766","0.006","90","","1637.8","0.4","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0606","","","","0.2411","","","","","","1.173","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150171","16.378","0.0003","27.7666","0.0004","30.3256","0.0005","90","","90","","90","","13790.9","0.4","120","1","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C123 H193.5 O35.5 -","- C124.7 H177.6 O35.6 -","- C498.8 H710.4 O142.4 -","4","1","","Armspach, Dominique; Poorters, Laurent; Matt, Dominique; Benmerad, Belkacem; Balegroune, Fadila; Toupet, Loic","A new approach to A,B-difunctionalisation of cyclodextrins using bulky 1,3-bis[bis(aryl)chloromethyl]benzenes as capping reagents.","Organic & biomolecular chemistry","2005","3","14","2588","2592","10.1039/b504012d","","","0.71073","MoKα","","0.1472","0.0828","","","0.2019","0.2537","","","","","","1.107","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150172","5.108","0.007","5.71","0.007","14.903","0.016","79.659","0.01","81.128","0.01","89.62","0.01","422.4","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","1","1","","Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh","beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.","Organic & biomolecular chemistry","2005","3","12","2250","2254","10.1039/b504112k","","","0.71073","MoKα","","0.067","0.052","","0.1329","0.1146","","","","1.109","1.165","1.165","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150173","5.448","0.006","11.674","0.012","14.81","0.014","79.936","0.01","79.89","0.01","85.346","0.01","911.8","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C34 H48 N4 O10 -","2","1","","Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh","beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.","Organic & biomolecular chemistry","2005","3","12","2250","2254","10.1039/b504112k","","","0.71073","MoKα","","0.1709","0.0931","","","0.2465","0.2686","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150174","6.565","0.004","8.698","0.005","34.72","0.02","90","","90","","90","","1983","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C88 H104 O24 -","4","1","","Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald","Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.","Organic & biomolecular chemistry","2005","3","15","2786","2804","10.1039/b504545b","","","0.6861","synchrotron","","0.0982","0.0878","","","0.216","0.222","","","","","","1.09","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150175","10.816","0.002","16.904","0.003","19.35","0.004","90","","90","","90","","3537.8","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C144 H184 N8 O48 -","8","2","","Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald","Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.","Organic & biomolecular chemistry","2005","3","15","2786","2804","10.1039/b504545b","","","0.71073","MoKα","","0.0647","0.04","","","0.0724","0.0789","","","","","","0.921","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150176","9.408","0.009","11.05","0.01","31.83","0.03","90","","90","","90","","3309","5","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 Na2 O14 P -","- C24 H38 Na2 O14 P -","- C96 H152 Na8 O56 P4 -","4","1","","Babu, Ponnusamy; Chopra, D.; Row, T. N. Guru; Maitra, Uday","Micellar aggregates and hydrogels from phosphonobile salts.","Organic & biomolecular chemistry","2005","3","20","3695","3700","10.1039/b504656d","","","0.71073","MoKα","","0.0563","0.0537","","","0.1508","0.1534","","","","","","1.091","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150177","17.059","0.003","19.498","0.005","19.657","0.003","90","","90","","90","","6538","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis-tetrabutylammonium bis-dihydrogenphosphate 1-(4-nitrophenyl)-3-{2-[3-(4-nitrophenyl)ureido]-cyclohexyl}-urea acetonitrile","","- C54 H101 N9 O14 P2 -","- C54 H101 N9 O14 P2 -","- C216 H404 N36 O56 P8 -","4","1","","Amendola, Valeria; Boiocchi, Massimo; Esteban-Gómez, David; Fabbrizzi, Luigi; Monzani, Enrico","Chiral receptors for phosphate ions.","Organic & biomolecular chemistry","2005","3","14","2632","2639","10.1039/b504931h","","","0.71073","MoKα","","0.1662","0.0771","","","0.1864","0.2367","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150178","11.9376","0.0016","14.0036","0.0019","13.9101","0.0019","90","","107.916","0.002","90","","2212.6","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Acetyl-3-(4-methylphenyl)-1,3,4-thiadiazol-2(3H)-one","","","- C22 H20 N4 O4 S2 -","- C22 H20 N4 O4 S2 -","- C88 H80 N16 O16 S8 -","4","1","","Zahra, Jalal A.; Abu Thaher, Bassam A.; El-Abadelah, Mustafa M; Boese, Roland","3-Mercaptopropionic acid-nitrile imine adducts. An unprecedented cyclization into 1,3,4-thiadiazol-2(3H)-ones and -2(3H)-thiones.","Organic & biomolecular chemistry","2005","3","14","2599","2603","10.1039/b505010c","","","0.71073","MoKα","","0.053","0.0388","","","0.1007","0.1141","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150179","10.0175","0.0008","10.0175","0.0008","21.2378","0.0013","90","","90","","120","","1845.7","0.2","225","2","225","2","","","","","","","synthesis as described","5","P 31","P 31","144","","","","- C31 H25 Cl N2 O -","- C31 H25 Cl N2 O -","- C93 H75 Cl3 N6 O3 -","3","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","x-ray","0.71073","MoKα","","0.0761","0.0387","","","0.0805","0.0905","","","","","","0.962","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150180","12.2564","0.0003","12.2564","0.0003","13.4713","0.0006","90","","90","","90","","2023.65","0.11","100","","100","","","","","","","","","6","P 41 2 2","P 4w 2c","91","","(R,R) N-(1-tert-Butyl-3,3-dimethyl-2-trifluoromethanesulfonylamino-butyl)- C,C,C-trifluoro-methanesulfonamide","","- C12 H22 F6 N2 O4 S2 -","- C12 H22 F6 N2 O4 S2 -","- C48 H88 F24 N8 O16 S8 -","4","0.5","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.044","","","","0.093","","","","","","0.904","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150181","20.6214","0.0006","10.7987","0.0007","9.401","0.003","90","","95.972","0.003","90","","2082.1","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(R,R) N-(1,2-Dicyclohexyl-2-trifluoromethanesulfonylamino-ethyl9- C,C,C-trifluoro-methanesulfonamide","","- C16 H26 F6 N2 O4 S2 -","- C16 H26 F6 N2 O4 S2 -","- C64 H104 F24 N8 O16 S8 -","4","0.5","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.143","","","","0.169","","","","","","1.166","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150182","14.3841","0.0002","14.3841","0.0002","13.98","0.0004","90","","90","","120","","2504.97","0.09","100","","100","","","","","","","","","6","P 32 2 1","P 32 2""","154","","(S,S) C,C,C-Trifluoro-N-(2-trifluoromethanesulfonylamino-cyclohexyl) -methanesulfonamide","","- C9.8 H12 F6 N2 O4 S2 -","- C9.59 H12 F6 N2 O4 S2 -","- C57.54 H72 F36 N12 O24 S12 -","6","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.034","","","","0.036","","","","","","1.027","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150183","11.6353","0.001","11.6353","0.001","52.806","0.009","90","","90","","120","","6191.1","1.3","100","","100","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","(R,R) N-(1,2-Diphenyl-2-trifluoromethanesulfonylamino-ethyl)- C,C,C-trifluoro-methanesulfonamide","","- C16 H14 F6 N2 O4 S2 -","- C16 H14 F6 N2 O4 S2 -","- C192 H168 F72 N24 O48 S24 -","12","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.064","","","","0.081","","","","","","1.7","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150184","11.503","0.008","15.7","0.02","18.53","0.01","90","","92.82","0.03","90","","3342","5","100.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H32 F6 N2 Ni O8 S2 -","- C30 H32 F6 N2 Ni O8 S2 -","- C120 H128 F24 N8 Ni4 O32 S8 -","4","1","","Fossey, John S.; Matsubara, Ryosuke; Vital, Paulo; Kobayashi, Shū","A C2-symmetric nickel diamine complex as an asymmetric catalyst for enecarbamate additions to butane-2,3-dione.","Organic & biomolecular chemistry","2005","3","16","2910","2913","10.1039/b505404d","","","0.7107","MoKα","","","0.024","","","","0.03","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150185","10.055","0.002","13.297","0.002","15.802","0.003","75.124","0.001","74.149","0.002","69.449","0.001","1872.5","0.6","293","","293","","","","","","","","?","4","P -1","-P 1","2","","","","- C40 H44 Br2 O4 -","- C40 H44 Br2 O4 -","- C80 H88 Br4 O8 -","2","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","1.5418","CuKα","","","0.0736","","","","0.0701","","","","","","1.0267","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150186","24.088","0.001","12.665","0.001","17.274","0.001","90","","126.477","0.001","90","","4237.5","0.5","150","","150","","","","","","","","?","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 O2 -","- C26 H28 O2 -","- C208 H224 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0493","","","","0.0183","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150187","14.921","0.001","18.436","0.002","19.88","0.003","90","","108.21","0.01","90","","5194.8","1.1","293","","293","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 O4 -","- C64 H64 O4 -","- C256 H256 O16 -","4","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","1.5418","CuKα","","","0.1015","","","","0.0829","","","","","","1.0786","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150188","23.851","0.0003","12.333","0.0003","13.074","0.0004","90","","90","","90","","3845.77","0.16","200","","200","","","","","","","","?","4","P n m a","-P 2ac 2n","62","","","","- C20 H22 Br2 O2 -","- C20 H22 Br2 O2 -","- C160 H176 Br16 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0321","","","","0.0242","","","","","","1.0311","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150189","13.9231","0.0001","35.1563","0.0002","25.7578","0.0002","90","","94.5875","0.0003","90","","12567.7","0.15","150","","150","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C144 H192 O12 -","- C48 H64 O4 -","- C576 H768 O48 -","12","3","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0765","","","","0.08","","","","","","1.0633","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150190","25.714","0.0004","8.002","0.0001","19.113","0.0004","90","","121.009","0.0009","90","","3370.71","0.1","150","","150","","","","","","","","?","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0545","","","","0.0671","","","","","","1.0196","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150191","10.3974","0.0002","13.0709","0.0003","19.4131","0.0003","107.941","0.001","93.567","0.001","97.093","0.001","2476.72","0.09","150","","293","","","","","","","","?","3","P -1","-P 1","2","","","","- C56 H80 O4 -","- C56 H80 O4 -","- C112 H160 O8 -","2","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0537","","","","0.0594","","","","","","1.0599","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150192","7.707","0.0015","17.374","0.004","16.622","0.003","90","","92.17","0.03","90","","2224.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,4,7,10,13,16-hexaoxacyclooctadecane pyrimidine-2,4(1H,3H)- dithione monohydrate","1,4,7,10,13,16-hexaoxacyclooctadecane pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C16 H30 N2 O7 S2 -","- C16 H30 N2 O7 S2 -","- C64 H120 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.0667","0.0452","","","0.1237","0.132","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150193","11.624","0.002","12.698","0.003","12.093","0.002","90","","109.69","0.03","90","","1680.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-anti-cis (B) isomer (2,3,11,12-Dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane) bis(pyrimidine-2,4(1H,3H)- dithione) clathrate","cis-anti-cis (B) isomer (2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane) bis(pyrimidine-2,4(1H,3H)-dithione) clathrate","","- C28 H44 N4 O6 S4 -","- C28 H44 N4 O6 S4 -","- C56 H88 N8 O12 S8 -","2","0.5","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.1279","0.0536","","","0.1129","0.1316","","","","","","0.853","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150194","7.988","0.0016","21.627","0.004","16.439","0.003","90","","93.17","0.03","90","","2835.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-syn-cis (A) isomer (2,3,11,12-Dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane) pyrimidine-2,4(1H,3H)-dithione monohydrate","cis-syn-cis (A) isomer (2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane) pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C24 H42 N2 O7 S2 -","- C24 H42 N2 O7 S2 -","- C96 H168 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.2645","0.0556","","","0.0668","0.0929","","","","","","0.709","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150195","7.973","0.0016","16.918","0.003","17.566","0.004","90","","90","","90","","2369.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,3-benzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2-ene pyrimidine-2,4(1H,3H)-dithione monohydrate","2,3-benzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2-ene pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C20 H30 N2 O7 S2 -","- C20 H30 N2 O7 S2 -","- C80 H120 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.1051","0.0446","","","0.0805","0.0922","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150196","6.936","0.002","16.389","0.003","9.833","0.003","90","","92.78","0.03","90","","1116.4","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","imine","8(R),13(R),23(S),28(S)-7,14,22,29,31,32-hexaazapentacyclo [25.3.1.1^16,20^.0^8,13^.0^23,28^]-dotriconta- 1(31),2,4,6,14,16(32),17,19,21,29-decaene","","- C26 H30 N6 -","- C26 H30 N6 -","- C52 H60 N12 -","2","0.5","","Gregoliński, Janusz; Lisowski, Jerzy; Lis, Tadeusz","New 2+2, 3+3 and 4+4 macrocycles derived from 1,2-diaminocyclohexane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2005","3","17","3161","3166","10.1039/b505909g","","","0.71073","MoKα","","0.11","0.063","","","0.1471","0.1656","","","","","","1.123","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150197","15.577","0.004","30.563","0.009","5.46","0.003","90","","90","","90","","2599.4","1.8","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","imine","8(R),13(R),23(S),28(S),38(R),43(R),53(S),58(S)- 7,14,22,29,37,44,52,59,61,62,63,64-dodecaazananocyclo [55.3.1.1^16,20^.1^31,35^.1^46,50^.0^8,13^.0^23,28^.0^38,43^.0^53,58^] -tetrahexaconta- 1(61),2,4,6,14,16(62),17,19,21,29,31(63),32,34,44,46(64),47,49,51,59 -eicosaene","","- C52 H60 N12 -","- C52 H60 N12 -","- C104 H120 N24 -","2","0.5","","Gregoliński, Janusz; Lisowski, Jerzy; Lis, Tadeusz","New 2+2, 3+3 and 4+4 macrocycles derived from 1,2-diaminocyclohexane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2005","3","17","3161","3166","10.1039/b505909g","","","1.5418","CuKα","","0.1073","0.0655","","","0.1495","0.1754","","","","","","0.903","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150198","14.526","0.0009","7.068","0.0005","13.3397","0.0009","90","","91.506","0.001","90","","1369.11","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 F2 N O4 -","- C13 H19 F2 N O4 -","- C52 H76 F8 N4 O16 -","4","1","","Griffith, Gerry A.; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.; Spencer, Neil; Uneyama, Emi","Towards novel difluorinated sugar mimetics; syntheses and conformational analyses of highly-functionalised difluorinated cyclooctenones.","Organic & biomolecular chemistry","2005","3","15","2701","2712","10.1039/b505978j","","","0.71073","MoKα","","0.0342","0.0323","","","0.0806","0.0818","","","","","","1.042","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150199","9.7709","0.0004","12.8905","0.0005","13.2494","0.0006","70.822","0.002","68.573","0.0018","76.36","0.002","1454.45","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","N-Phenyl-8-methoxy-1-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","2","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.1308","0.0641","","","0.1522","0.1759","","","","","","0.909","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150200","9.377","0.0002","9.7055","0.0002","16.7953","0.0003","90","","91.3607","0.0012","90","","1528.08","0.05","293","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-(Dimethylamino)-N-phenyl-1-naphthamide","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0567","0.0449","","","0.1189","0.1259","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150201","9.8308","0.0002","9.664","0.0003","12.0688","0.0003","85.4547","0.0015","68.6506","0.0014","78.8152","0.0015","1047.58","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","N-(8-Dimethylamino-1-naphthoyl)-N,N-diphenylurea","","- C26 H23 N3 O2 -","- C26 H23 N3 O2 -","- C52 H46 N6 O4 -","2","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0741","0.0511","","","0.1239","0.1357","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150202","15.87","0.0003","5.4817","0.0001","28.7715","0.0008","90","","101.03","0.0008","90","","2456.73","0.09","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(8-Dimethylaminonaphth-1-yl)-2-nitroethene","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0739","0.0482","","","0.117","0.1271","","","","","","0.99","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150203","10.3347","0.0003","7.0992","0.0002","18.2556","0.0005","90","","102.897","0.002","90","","1305.59","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(8-Dimethylaminonaphth-1-yl)-2-nitropropene","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0567","0.0497","","","0.1579","0.1664","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150204","7.7283","0.0002","13.6696","0.0004","15.7465","0.0006","90","","95.5779","0.0012","90","","1655.63","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1-Dimethylbenzo(cd)indolium-2-benzoylnitromethide","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0681","0.0471","","","0.1159","0.1248","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150205","16.1362","0.0014","17.4816","0.0016","30.711","0.003","77.635","0.002","75.632","0.002","65.267","0.002","7562.2","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C172.23 H106 Cl3.11 F12 N6 O15 P2 Ru -","- C172.355 H106 Cl3.058 F12 N6 O15 P2 Ru -","- C344.71 H212 Cl6.116 F24 N12 O30 P4 Ru2 -","2","1","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.1317","0.098","","","0.2824","0.3071","","","","","","1.088","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150206","23.3906","0.0005","11.4829","0.0002","23.2945","0.0006","90","","90","","90","","6256.7","0.2","160","1","160","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H64 F12 Fe N6 O5 P2 -","- C66 H62 F12 Fe N6 O5 P2 -","- C264 H248 F48 Fe4 N24 O20 P8 -","4","0.5","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.1491","0.0751","","","0.1913","0.2337","","","","","","1.021","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150207","23.1733","0.0003","11.9603","0.0001","22.8083","0.0003","90","","90","","90","","6321.54","0.13","160","1","160","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H64 F12 N6 O5 P2 Ru -","- C66 H62 F12 N6 O5 P2 Ru -","- C264 H248 F48 N24 O20 P8 Ru4 -","4","0.5","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.0871","0.0609","","","0.1664","0.1893","","","","","","1.044","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150208","10.8116","0.0001","11.8065","0.0001","40.9023","0.0004","90","","91.049","0.0004","90","","5220.19","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Fe N2 O4 -","- C20 H28 Fe N2 O4 -","- C200 H280 Fe10 N20 O40 -","10","2.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0767","0.0476","","","0.1013","0.1136","","","","","","1.022","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150209","15.479","0.0003","9.342","0.0003","11.04","0.0003","90","","117.071","0.002","90","","1421.54","0.07","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H38 Fe N4 O6 -","- C26 H38 Fe N4 O6 -","- C52 H76 Fe2 N8 O12 -","2","0.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0432","0.0346","","","0.0717","0.0753","","","","","","1.069","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150210","15.49","0.003","9.339","0.0019","11.036","0.002","90","","117.09","0.03","90","","1421.3","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H38 Fe N4 O6 -","- C26 H38 Fe N4 O6 -","- C52 H76 Fe2 N8 O12 -","2","0.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0488","0.0393","","","0.0755","0.081","","","","","","1.058","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150211","14.5548","0.0002","7.2083","0.0001","17.2662","0.0004","90","","103.938","0.001","90","","1758.15","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C80 H88 N8 O20 -","4","1","","Mateo Alonso, A.; Horcajada, Roberto; Groombridge, Helen J.; Chudasama Née Mandalia, Reshma; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","Synthesis of phenazine derivatives for use as precursors to electrochemically generated bases.","Organic & biomolecular chemistry","2005","3","15","2832","2841","10.1039/b506295k","","","0.71073","MoKα","","0.067","0.0432","","","0.1058","0.1167","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150212","21.854","0.012","10.992","0.005","7.77","0.01","90","","90.01","0.07","90","","1867","3","160","2","160","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Mateo Alonso, A.; Horcajada, Roberto; Groombridge, Helen J.; Chudasama Née Mandalia, Reshma; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","Synthesis of phenazine derivatives for use as precursors to electrochemically generated bases.","Organic & biomolecular chemistry","2005","3","15","2832","2841","10.1039/b506295k","","","0.71073","MoKα","","0.1357","0.066","","","0.1564","0.1887","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150213","8.6059","0.0001","11.6484","0.0001","25.9199","0.0003","90","","90","","90","","2598.34","0.05","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O4 -","- C30 H35 N O4 -","- C120 H140 N4 O16 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","0.0417","0.0322","","0.047","0.0381","0.0381","","","","","","1.1199","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150214","9.4415","0.0001","15.0875","0.0002","18.297","0.0003","90","","90","","90","","2606.38","0.06","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","0.0444","0.0379","","0.0501","0.0442","0.0442","","","","","","1.1113","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150215","10.0421","0.0002","9.1315","0.0002","25.1731","0.0008","90","","95.1151","0.0009","90","","2299.17","0.1","190","","190","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O2 -","- C28 H31 N O2 -","- C112 H124 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","","0.0873","","","","0.0784","","","","","","1.0124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150216","10.54","0.02","25.92","0.02","16.25","0.01","90","","100.15","0.02","90","","4370","9","153.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 O4 -","- C58 H48 O4 -","- C232 H192 O16 -","4","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.0437","","","","0.1093","","","","","","1.146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150217","11.977","0.003","24.465","0.006","12.25","0.004","90","0.002","110.328","0.002","90","0.002","3365.9","1.6","293.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 O2 -","- C48 H30 O2 -","- C192 H120 O8 -","4","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.062","","","","0.164","","","","","","0.888","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150218","18.425","0.007","34.5","0.01","10.674","0.004","90","0.002","115.457","0.003","90","0.002","6126","4","293.1","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H42 Cl12 O4 Sb2 -","- C52 H42 Cl12 O4 Sb2 -","- C208 H168 Cl48 O16 Sb8 -","4","0.5","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.0542","","","","0.1598","","","","","","0.74","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150219","11.219","0.004","12.48","0.005","16.557","0.007","86.02","0.01","89.83","0.01","64.63","0.01","2088.7","1.4","293.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H32 Cl6 O3 -","- C50 H32 Cl6 O3 -","- C100 H64 Cl12 O6 -","2","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.0676","","","","0.1756","","","","","","1.357","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150220","57.17","0.01","35.88","0.009","10.483","0.003","90","","90","","90","","21503","9","153.1","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C49.5 H30 Cl15 O2 Sb2 -","- C49.5 H30 Cl15 O2 Sb2 -","- C792 H480 Cl240 O32 Sb32 -","16","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.056","","","","0.2134","","","","","","0.451","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150221","14.9686","0.0005","17.0315","0.0008","24.6488","0.0011","102.373","0.005","91.482","0.005","107.245","0.005","5835.1","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H138 N8 O17 -","- C120 H138 N8 O17 -","- C240 H276 N16 O34 -","2","1","","Ghosh, Pradyut; Federwisch, Guido; Kogej, Michael; Schalley, Christoph A.; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Gschwind, Ruth M.","Controlling the rate of shuttling motions in [2]rotaxanes by electrostatic interactions: a cation as solvent-tunable brake.","Organic & biomolecular chemistry","2005","3","15","2691","2700","10.1039/b506756a","","","0.71073","MoKα","","0.2041","0.1215","","","0.3191","0.3678","","","","","","1.048","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150222","10.805","0.002","10.863","0.002","19.502","0.004","90","","90","","90","","2289","0.8","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N3 -","- C12 H19 N3 -","- C96 H152 N24 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1854","0.128","","","0.1902","0.2049","","","","","","1.259","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150223","10.0306","0.0011","13.513","0.0013","14.3379","0.0015","108.817","0.005","104.119","0.015","103.132","0.006","1682","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Revised CIF","","","- C33.33 H37.33 Cl N3 O6 S3 -","- C33.33 H37 Cl0.99 N3 O6 S3 -","- C66.66 H74 Cl1.98 N6 O12 S6 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1009","0.0619","","","0.1396","0.1598","","","","","","1.033","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150224","8.7647","0.0004","11.2725","0.0006","12.7812","0.0008","82.1469","0.0024","71.7511","0.0023","69.0389","0.0032","1119.48","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Cl3 N3 O13 -","- C14 H28 Cl3 N3 O13 -","- C28 H56 Cl6 N6 O26 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0841","0.0662","","","0.1489","0.1571","","","","","","1.114","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150225","16.6393","0.0008","12.0999","0.0007","18.0854","0.0011","90","","115.568","0.0028","90","","3284.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 N3 O6 S3 -","- C35 H41 N3 O6 S3 -","- C140 H164 N12 O24 S12 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1006","0.0549","","","0.1075","0.1234","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150226","11.0558","0.0005","11.6209","0.0005","15.1984","0.0007","90","","107.842","0.0026","90","","1858.75","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Br3 N3 -","- C14 H26 Br3 N3 -","- C56 H104 Br12 N12 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0811","0.0555","","","0.1253","0.1371","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150227","9.5996","0.0003","10.1003","0.0004","17.1572","0.0006","90","","93.8496","0.002","90","","1659.79","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl3 N3 -","- C14 H26 Cl3 N3 -","- C56 H104 Cl12 N12 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.043","0.0313","","","0.0645","0.0681","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150228","5.4382","0.0003","16.5549","0.0009","19.6525","0.0013","90","","91.581","0.002","90","","1768.62","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 F5 N3 O -","- C14 H29 F5 N3 O -","- C56 H116 F20 N12 O4 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.2775","0.0713","","","0.1104","0.1605","","","","","","0.886","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150229","12.5482","0.0008","14.9721","0.0011","17.298","0.0014","90","","91.7346","0.0029","90","","3248.3","0.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 N4 -","- C16 H28 N4 -","- C128 H224 N32 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1595","0.0572","","","0.1109","0.1485","","","","","","0.957","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150230","14.893","0.0004","18.055","0.0006","10.0567","0.0009","90","","90","","90","","2704.2","0.3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H34 Br Cl3 N4 O13 -","- C16 H32 Br Cl3 N4 O13 -","- C64 H128 Br4 Cl12 N16 O52 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1153","0.0922","","","0.1944","0.2047","","","","","","1.137","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150231","11.8732","0.0012","13.1219","0.001","15.1537","0.0011","88.4512","0.0067","86.6823","0.0059","68.4241","0.0061","2191.8","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H52 N4 O8 S4 -","- C44 H52 N4 O8 S4 -","- C88 H104 N8 O16 S8 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1759","0.0988","","","0.1352","0.1583","","","","","","1.107","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150232","21.1345","0.0008","11.3695","0.0005","19.3298","0.0007","90","","111.385","0.004","90","","4324.9","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","L3-HF","","","- C16 H39 F5 N4 O3 -","- C16 H38.79 F4.79 N4 O3 -","- C128 H310.32 F38.32 N32 O24 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1535","0.0523","","","0.084","0.1087","","","","","","0.929","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150233","9.4815","0.0008","11.0386","0.001","11.4504","0.001","88.5738","0.0023","68.2659","0.0019","86.0713","0.0022","1110.62","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 Br4 N4 -","- C16 H32 Br4 N4 -","- C32 H64 Br8 N8 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.235","0.1621","","","0.2677","0.3011","","","","","","1.166","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150234","29.725","0.003","6.348","0.0007","22.054","0.003","90","","93.999","0.004","90","","4151.3","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Revised CIF","","","- C14 H30 Cl4 N4 O1.5 -","- C14 H30 Cl4 N4 O1.5 -","- C112 H240 Cl32 N32 O12 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1095","0.0457","","","0.0864","0.1099","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150235","10.0881","0.001","30.6387","0.0009","15.8038","0.001","90","","94.292","0.003","90","","4871","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Cl4 N4 O8 S4 -","- C44 H50 Cl3.98 N4 O8 S4 -","- C176 H200 Cl15.92 N16 O32 S16 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0982","0.0526","","","0.111","0.1294","","","","","","1.022","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150236","33.7945","0.0018","11.5702","0.0008","15.8028","0.0009","90","","103.859","0.005","90","","5999.1","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 I7 N5 -","- C16 H34 I7 N5 -","- C128 H272 I56 N40 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.133","0.0555","","","0.1082","0.1306","","","","","","1.011","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150237","8.4897","0.0009","11.1914","0.0011","14.9026","0.001","82.7077","0.0064","81.8566","0.0054","69.501","0.0058","1308.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H38 Br5 N5 O2 -","- C16 H34 Br5 N5 O2 -","- C32 H68 Br10 N10 O4 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0987","0.0707","","","0.1473","0.1597","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150238","10.5378","0.0008","11.8423","0.0006","20.8415","0.0012","81.0248","0.0041","78.1161","0.0036","87.7689","0.0035","2513.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","CIF","","","- C16 H39 Cl5 N5 O2.5 -","- C16 H36 Cl5 N5 O2.5 -","- C64 H144 Cl20 N20 O10 -","4","2","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1771","0.1078","","","0.1783","0.2058","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150239","9.862","0.002","10.525","0.002","12.113","0.002","97.654","0.002","100.99","0.002","103.968","0.003","1176.4","0.4","120","2","173","2","","","","","","","","5","P -1","-P 1","2","2,5,8,11,14-pentazaz(15)metacyclophane pentahydrochloride monohydrate","2,5,8,11,14-pentazaz[15]metacyclophane pentahydrochloride monohydrate","","- C16 H38 Cl5 N5 O -","- C16 H32 Cl5 N5 O -","- C32 H64 Cl10 N10 O2 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0655","0.0434","","","0.093","0.1029","","","","","","1.048","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150240","13.925","0.002","16.012","0.002","22.88","0.002","90","","98.651","0.008","90","","5043.4","1.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","l5-tS5","","","- C51 H59 N5 O10 S5 -","- C51 H59 N5 O10 S5 -","- C204 H236 N20 O40 S20 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.2499","0.187","","","0.294","0.3184","","","","","","1.319","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150241","9.319","0.002","12.579","0.003","27.029","0.007","90","","90","","90","","3168.4","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H21 F2 N O5 -","- C15 H21 F2 N O5 -","- C120 H168 F16 N8 O40 -","8","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0395","0.0338","","","0.082","0.0849","","","","","","1.038","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150242","10.4325","0.0007","11.7993","0.0008","14.7171","0.001","90","","92.051","0.001","90","","1810.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F2 N O5 S -","- C18 H19 F2 N O5 S -","- C72 H76 F8 N4 O20 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0443","0.0386","","","0.1049","0.1079","","","","","","1.051","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150243","9.9999","0.0005","8.3226","0.0004","19.8738","0.001","90","","94.609","0.001","90","","1648.65","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F2 O6 S -","- C17 H16 F2 O6 S -","- C68 H64 F8 O24 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0336","0.0309","","","0.0796","0.0816","","","","","","1.053","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150244","8.806","0.002","22.25","0.006","11.795","0.003","90","","98.871","0.004","90","","2283.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 F2 N O6 S -","- C21 H27 F2 N O6 S -","- C84 H108 F8 N4 O24 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0485","0.0406","","","0.1051","0.1097","","","","","","1.038","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150245","17.875","0.003","6.5609","0.0012","15.029","0.003","90","","93.158","0.003","90","","1759.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 F2 O5 S -","- C18 H20 F2 O5 S -","- C72 H80 F8 O20 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0929","0.0611","","","0.1416","0.1545","","","","","","1.054","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150246","10.5327","0.0018","11.552","0.002","16.158","0.003","75.465","0.003","71.827","0.003","68.79","0.003","1720.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 F2 O4 -","- C18 H22 F2 O4 -","- C72 H88 F8 O16 -","4","2","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0459","0.0381","","","0.0923","0.0968","","","","","","1.019","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150247","14.113","0.001","12.461","0.001","8.528","0.001","90","","90","","90","","1499.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 I N O3 -","- C14 H18 I N O3 -","- C56 H72 I4 N4 O12 -","4","1","","Adler, Thomas; Bonjoch, Josep; Clayden, Jonathan; Font-Bardía, Mercè; Pickworth, Mark; Solans, Xavier; Solé, Daniel; Vallverdú, Lluís","Slow interconversion of enantiomeric conformers or atropisomers of anilide and urea derivatives of 2-substituted anilines.","Organic & biomolecular chemistry","2005","3","17","3173","3183","10.1039/b507202f","","","0.71069","MoKα","","0.0471","0.0389","","","0.0889","0.0945","","","","","","1.12","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150248","9.7073","0.0014","10.569","0.0014","10.9986","0.0015","92.126","0.011","109.791","0.01","101.734","0.011","1032.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 O8 -","- C46 H48 N4 O8 -","- C46 H48 N4 O8 -","1","0.5","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.0674","0.0434","","","0.1031","0.1098","","","","","","0.972","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150249","11.4637","0.0008","18.3534","0.0012","19.8397","0.0014","74.256","0.005","85.809","0.006","83.824","0.005","3990.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 Cl N4 O8.5 -","- C41 H43 Cl N4 O8.5 -","- C164 H172 Cl4 N16 O34 -","4","2","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.0916","0.0753","","","0.2126","0.226","","","","","","1.01","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150250","10.3157","0.0011","12.4728","0.0012","17.753","0.002","99.611","0.008","103.81","0.008","99.245","0.008","2138.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 O8 -","- C46 H48 N4 O8 -","- C92 H96 N8 O16 -","2","1","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.0964","0.0661","","","0.1962","0.2161","","","","","","0.971","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150251","10.4041","0.0019","10.6679","0.0019","11.557","0.002","105.672","0.014","91.147","0.015","108.061","0.014","1166.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 N2 O4 -","- C54 H66 N2 O4 -","- C54 H66 N2 O4 -","1","0.5","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.1132","0.0983","","","0.316","0.3313","","","","","","1.222","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150252","7.6807","0.0001","13.2365","0.0001","24.25","0.0003","90","","93.2","0.001","90","","2461.55","0.05","100","","100","","","","","","","","solvent","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 -","- C32 H34 -","- C128 H136 -","4","1","","Nehls, Benjamin S.; Galbrecht, Frank; Bilge, Askin; Brauer, David J.; Lehmann, Christian W.; Scherf, Ullrich; Farrell, Tony","Synthesis and spectroscopy of an oligophenyl based cruciform with remarkable pi-pi assisted folding.","Organic & biomolecular chemistry","2005","3","17","3213","3219","10.1039/b508125d","","","1.54178","CuKα","","0.0431","0.0424","","","0.1072","0.1078","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150253","26.1849","0.0006","15.839","0.0004","10.076","0.0002","90","","103.728","0.001","90","","4059.57","0.16","100","","100","","","","","","","","deuterated THF","2","C 1 2/c 1","-C 2yc","15","","","","- C52 H58 -","- C52 H58 -","- C208 H232 -","4","0.5","","Nehls, Benjamin S.; Galbrecht, Frank; Bilge, Askin; Brauer, David J.; Lehmann, Christian W.; Scherf, Ullrich; Farrell, Tony","Synthesis and spectroscopy of an oligophenyl based cruciform with remarkable pi-pi assisted folding.","Organic & biomolecular chemistry","2005","3","17","3213","3219","10.1039/b508125d","","","0.71073","MoKα","","0.0946","0.0636","","","0.1381","0.1529","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150254","8.7805","0.0017","9.1484","0.0019","13.906","0.003","79.21","0.017","87.892","0.017","84.473","0.016","1092","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","6,8-Dichloro-7-methyl-7H-(1,2,3,4,5)pentathiepino(6,7- c)pyrrole","6,8-Dichloro-7-methyl-7H-[1,2,3,4,5]pentathiepino[6,7-c]pyrrole","","- C5 H3 Cl2 N S5 -","- C5 H3 Cl2 N S5 -","- C20 H12 Cl8 N4 S20 -","4","2","","Amelichev, Stanislav A.; Konstantinova, Lidia S.; Lyssenko, Konstantin A.; Rakitin, Oleg A.; Rees, Charles W.","Direct synthesis of fused 1,2,3,4,5-pentathiepins.","Organic & biomolecular chemistry","2005","3","19","3496","3501","10.1039/b508186f","","","0.71073","MoKα","","0.0673","0.0384","","","0.0968","0.1022","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150255","8.7306","0.0012","9.4354","0.0013","16.064","0.002","90","","93.761","0.003","90","","1320.4","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6,8-Dichloro-7-t-butyl-7H-(1,2,3,4,5)pentathiepino(6,7- c)pyrrole","6,8-Dichloro-7-t-butyl-7H-[1,2,3,4,5]pentathiepino[6,7-c]pyrrole","","- C8 H9 Cl2 N S5 -","- C8 H9 Cl2 N S5 -","- C32 H36 Cl8 N4 S20 -","4","1","","Amelichev, Stanislav A.; Konstantinova, Lidia S.; Lyssenko, Konstantin A.; Rakitin, Oleg A.; Rees, Charles W.","Direct synthesis of fused 1,2,3,4,5-pentathiepins.","Organic & biomolecular chemistry","2005","3","19","3496","3501","10.1039/b508186f","","","0.71073","MoKα","","0.0416","0.0362","","","0.0841","0.0876","","","","","","0.978","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150256","7.569","0.004","18.652","0.002","8.388","0.002","90","","103.69","0.03","90","","1150.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C48 H56 N8 O4 S4 -","4","1","","Pesquet, Anthony; Daïch, Adam; Decroix, Bernard; Van Hijfte, Luc","Acid-catalysed formation of tricyclic N,S-acetals in imidazolinone series based on the use of the unprecedented N-acyliminium ion cascade reaction involving transposition, heterocyclisation and pi-cyclisation.","Organic & biomolecular chemistry","2005","3","21","3937","3947","10.1039/b508214e","","","0.71069","MoKα","","0.0555","0.0358","","","0.0944","0.0996","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150257","19.225","0.008","10.95","0.004","6.047","0.009","90","","90","","90","","1273","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Pesquet, Anthony; Daïch, Adam; Decroix, Bernard; Van Hijfte, Luc","Acid-catalysed formation of tricyclic N,S-acetals in imidazolinone series based on the use of the unprecedented N-acyliminium ion cascade reaction involving transposition, heterocyclisation and pi-cyclisation.","Organic & biomolecular chemistry","2005","3","21","3937","3947","10.1039/b508214e","","","0.71069","MoKα","","0.0614","0.0483","","","0.1457","0.154","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150260","7.6162","0.0005","9.1924","0.0005","10.6592","0.0006","107.647","0.001","97.265","0.001","110.172","0.001","644.88","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N O5 S -","- C12 H11 N O5 S -","- C24 H22 N2 O10 S2 -","2","1","","Nikolaev, Vsevolod; Hennig, Lothar; Sieler, Jochim; Rodina, Ludmila; Schulze, Barbel; Nikolaev, Valerij","Cyclic and acyclic sulfonimides in reactions with Rh(II)-ketocarbenoids: a new access to chemoselective O-functionalization of the imidic carbonyl groups.","Organic & biomolecular chemistry","2005","3","22","4108","4116","10.1039/b508317f","","","0.71073","MoKα","","0.0417","0.0379","","","0.1069","0.1104","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150261","8.0512","0.0014","8.7739","0.0016","11.745","0.002","91.894","0.003","105.771","0.003","90.555","0.003","797.9","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Cl N O7 S -","- C13 H14 Cl N O7 S -","- C26 H28 Cl2 N2 O14 S2 -","2","1","","Nikolaev, Vsevolod; Hennig, Lothar; Sieler, Jochim; Rodina, Ludmila; Schulze, Barbel; Nikolaev, Valerij","Cyclic and acyclic sulfonimides in reactions with Rh(II)-ketocarbenoids: a new access to chemoselective O-functionalization of the imidic carbonyl groups.","Organic & biomolecular chemistry","2005","3","22","4108","4116","10.1039/b508317f","","","0.71073","MoKα","","0.0639","0.0425","","","0.1046","0.1219","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150262","14.153","0.001","14.153","","25.881","0.002","90","","90","","120","","4489.6","0.5","296.2","","296.2","","","","","","","","","5","P 61","P 61","169","","","","- C27 H33 Cl O9 Si -","- C27 H32 Cl O9 Si -","- C162 H192 Cl6 O54 Si6 -","6","1","","Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J.","A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis.","Organic & biomolecular chemistry","2005","3","20","3654","3677","10.1039/b508675b","","","1.5418","CuKα","","","0.0907","","","0.0954","","","","","2.499","2.499","","","","","has coordinates","209484","2020-10-21","18:00:00",""
"7150263","14.792","0.002","28.3","0.004","8.5666","0.0009","90","","90","","90","","3586.1","0.8","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O10 Si -","- C35 H44 O10 Si -","- C140 H176 O40 Si4 -","4","1","","Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J.","A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis.","Organic & biomolecular chemistry","2005","3","20","3654","3677","10.1039/b508675b","","","1.5418","CuKα","","","0.0484","","","0.0602","","","","","2.173","2.173","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7150264","7.6072","0.0017","24.695","0.004","11.851","0.003","90","","108.06","0.03","90","","2116.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Anilino-6-(N-tert-butyloxycarbonylmethylanilino)-3-nitropyridine","","- C23 H24 N4 O4 -","- C23 H24 N4 O4 -","- C92 H96 N16 O16 -","4","1","","Schmid, Sylvia; Röttgen, Martin; Thewalt, Ulf; Austel, Volkhard","Synthesis and conformational properties of 2,6-bis-anilino-3-nitropyridines.","Organic & biomolecular chemistry","2005","3","18","3408","3421","10.1039/b508819b","","","0.71073","MoKα","","0.0595","0.037","","","0.08","0.0849","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150265","10.113","0.002","12.417","0.003","14.105","0.003","107.48","0.03","95.21","0.03","102.18","0.03","1628.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Anilino-2-(N-methylanilino)-3-nitropyridine","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","2","","Schmid, Sylvia; Röttgen, Martin; Thewalt, Ulf; Austel, Volkhard","Synthesis and conformational properties of 2,6-bis-anilino-3-nitropyridines.","Organic & biomolecular chemistry","2005","3","18","3408","3421","10.1039/b508819b","","","0.71073","MoKα","","0.0774","0.0415","","","0.087","0.0966","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150266","8.5952","0.0016","9.79","0.002","13.308","0.002","72.57","0.02","83.91","0.02","75.36","0.02","1033.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-Anilino-6-(N-tert-bytyloxycarbonylanilino)-3-nitropyridine","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C44 H44 N8 O8 -","2","1","","Schmid, Sylvia; Röttgen, Martin; Thewalt, Ulf; Austel, Volkhard","Synthesis and conformational properties of 2,6-bis-anilino-3-nitropyridines.","Organic & biomolecular chemistry","2005","3","18","3408","3421","10.1039/b508819b","","","0.71073","MoKα","","0.0588","0.0401","","","0.1023","0.109","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150267","9.1402","0.0017","12.351","0.002","15.852","0.003","90","","97.942","0.003","90","","1772.4","0.6","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F3 N2 O3 Pd S -","- C15 H17 F3 N2 O3 Pd S -","- C60 H68 F12 N8 O12 Pd4 S4 -","4","1","","Lu, Zhong-Lin; Neverov, Alexei A.; Brown, R. Stan","An ortho-palladated dimethylbenzylamine complex as a highly efficient turnover catalyst for the decomposition of P=S insecticides. Mechanistic studies of the methanolysis of some P=S-containing phosphorothioate triesters.","Organic & biomolecular chemistry","2005","3","18","3379","3387","10.1039/b508917d","","","0.71073","MoKα","","0.046","0.03","","","0.0601","0.0649","","","","","","1.041","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150268","9.5463","0.0018","16.258","0.004","18.117","0.004","90","","90","","90","","2811.8","1.1","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl N2 Pd -","- C14 H17 Cl N2 Pd -","- C112 H136 Cl8 N16 Pd8 -","8","1","","Lu, Zhong-Lin; Neverov, Alexei A.; Brown, R. Stan","An ortho-palladated dimethylbenzylamine complex as a highly efficient turnover catalyst for the decomposition of P=S insecticides. Mechanistic studies of the methanolysis of some P=S-containing phosphorothioate triesters.","Organic & biomolecular chemistry","2005","3","18","3379","3387","10.1039/b508917d","","","0.71073","MoKα","","0.0577","0.0329","","","0.0595","0.0641","","","","","","0.928","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150269","29.189","0.0014","4.9244","0.0003","19.8157","0.0011","90","","123.921","0.002","90","","2363.5","0.2","150","","150","","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C96 H112 O40 -","8","1","","Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E.","A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin.","Organic & biomolecular chemistry","2005","3","19","3488","3495","10.1039/b508972g","","","0.71073","MoKα","","0.0782","0.0483","","0.0712","0.0599","0.0599","","","","","","1.0723","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150270","19.4765","0.0003","9.6966","0.0002","21.0587","0.0004","90","","94.5151","0.0008","90","","3964.72","0.13","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 O2 -","- C23 H32 O2 -","- C184 H256 O16 -","8","2","","Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E.","A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin.","Organic & biomolecular chemistry","2005","3","19","3488","3495","10.1039/b508972g","","","0.71073","MoKα","","0.0853","0.0432","","0.0695","0.0524","0.0524","","","","","","1.1038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150271","8.8435","0.0003","13.404","0.0005","10.6982","0.0003","90","","105.571","0.0018","90","","1221.6","0.07","150","","150","","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","alboatrin","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E.","A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin.","Organic & biomolecular chemistry","2005","3","19","3488","3495","10.1039/b508972g","","","0.71073","MoKα","","0.0569","0.0378","","0.0544","0.0498","0.0498","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150272","16.999","0.005","11.735","0.008","17.495","0.01","90","","112.405","0.017","90","","3227","3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 O8 -","- C36 H44 O8 -","- C144 H176 O32 -","4","1","","Larsen, Lesley; Benn, Michael H.; Parvez, Masood; Perry, Nigel B.","A cytotoxic triketone-phloroglucinol-bullatenone hybrid from Lophomyrtus bullata.","Organic & biomolecular chemistry","2005","3","17","3236","3241","10.1039/b509076h","","","0.71073","MoKα","","0.122","0.061","","","0.145","0.177","","","","","","1.02","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150273","25.41","0.03","5.071","0.007","15.318","0.017","90","","106.77","0.01","90","","1890","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H54 N4 O10 S2 -","- C30 H54 N4 O10 S2 -","- C60 H108 N8 O20 S4 -","2","0.5","","Das, Apurba Kumar; Drew, Michael G. B.; Haldar, Debasish; Banerjee, Arindam","The role of the disulfide bond in amyloid-like fibrillogenesis in a model peptide system.","Organic & biomolecular chemistry","2005","3","19","3502","3507","10.1039/b509083k","","","0.71073","MoKα","","0.0927","0.0807","","","0.1717","0.1785","","","","","","1.176","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150274","9.934","0.004","5.408","0.002","22.042","0.001","90","","96.59","0.01","90","","1176.3","0.6","293","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","idoazeridine","idoazeridine","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C52 H62 N2 O12 -","2","1","","Dhavale, Dilip D.; Kumar, K. S. Ajish; Chaudhari, Vinod D.; Sharma, Tarun; Sabharwal, Sushma G.; Prakashareddy, J.","Aziridine carboxylate from D-glucose: synthesis of polyhydroxylated piperidine, pyrrolidine alkaloids and study of their glycosidase inhibition.","Organic & biomolecular chemistry","2005","3","20","3720","3726","10.1039/b509216g","","","0.71073","MoKα","","0.0814","0.0631","","","0.1485","0.1554","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150275","9.3831","0.0008","9.6997","0.0009","10.247","0.0009","117.46","0.002","95.447","0.001","106.754","0.001","763.39","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 O8 S2 -","- C32 H34 O8 S2 -","- C32 H34 O8 S2 -","1","0.5","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","0.71073","MoKα","","0.1246","0.0619","","","0.1297","0.1559","","","","","","1.01","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150276","8.8583","0.0005","9.1667","0.0005","15.4654","0.0004","88.41","0.001","80.604","0.003","65.605","0.003","1127.25","0.1","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H70 O6 -","- C52 H70 O6 -","- C52 H70 O6 -","1","0.5","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","0.71073","MoKα","","0.0778","0.0467","","","0.1298","0.1551","","","","","","0.983","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150277","8.72","0.005","12.944","0.009","8.918","0.005","90","0.02","100.47","0.04","90","0.03","989.8","1.1","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","1.5418","CuKα","","0.0814","0.0606","","","0.1554","0.1744","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150278","9.932","0.0005","11.5642","0.0006","14.7502","0.0004","90","","90","","90","","1694.14","0.13","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O S -","- C20 H24 O S -","- C80 H96 O4 S4 -","4","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0532","0.0383","","","0.0887","0.0967","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150279","9.9622","0.0003","11.5421","0.0003","14.9696","0.0003","90","","90","","90","","1721.28","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O S -","- C20 H24 O S -","- C80 H96 O4 S4 -","4","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0487","0.0404","","","0.0953","0.1001","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150280","10.8751","0.0003","13.6785","0.0004","16.9532","0.0004","74.165","0.002","75.054","0.002","69.839","0.001","2239.71","0.11","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C27 H30 O2 S -","- C27 H30 O2 S -","- C108 H120 O8 S4 -","4","2","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0698","0.0448","","","0.0976","0.109","","","","","","1.044","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7150281","21.1744","0.0009","21.1744","0.0009","9.5008","0.0006","90","","90","","90","","4259.7","0.4","173","2","173","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","","","","- C24 H32 O2 S -","- C24 H32 O2 S -","- C192 H256 O16 S8 -","8","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.1263","0.0684","","","0.1453","0.178","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150282","25.1991","0.0004","8.6736","0.0002","12.6158","0.0002","90","","90","","90","","2757.4","0.09","150","","150","","","","","","","","synthesis as described","3","P b c n","-P 2n 2ab","60","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","","Wong, Wallace W. H.; Vickers, Matthew S.; Cowley, Andrew R.; Paul, Rowena L.; Beer, Paul D.","Tetrakis(imidazolium) macrocyclic receptors for anion binding.","Organic & biomolecular chemistry","2005","3","23","4201","4208","10.1039/b510068b","","","0.71073","MoKα","","0.0612","0.0337","","0.0596","0.0381","0.0381","","","","","","1.1219","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150283","9.6741","0.0002","12.6292","0.0002","13.1081","0.0002","65.7093","0.001","71.7542","0.0009","83.9297","0.0007","1385.83","0.04","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C46 H54 F24 N10 P4 -","- C46 H54 F24 N10 P4 -","- C46 H54 F24 N10 P4 -","1","0.5","","Wong, Wallace W. H.; Vickers, Matthew S.; Cowley, Andrew R.; Paul, Rowena L.; Beer, Paul D.","Tetrakis(imidazolium) macrocyclic receptors for anion binding.","Organic & biomolecular chemistry","2005","3","23","4201","4208","10.1039/b510068b","","","0.71073","MoKα","","0.1081","0.0526","","0.094","0.0611","0.0611","","","","","","1.1089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150284","17.771","0.005","10.833","0.002","15.115","0.004","90","","124.564","0.018","90","","2396.2","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,4'-dihydroxybenzil","","","- C14 H10 O4 -","- C14 H10 O4 -","- C112 H80 O32 -","8","1","","Lion, Cedric J.; Vasselin, David A.; Schwalbe, Carl H.; Matthews, Charles S.; Stevens, Malcolm F. G.; Westwell, Andrew D.","Novel reaction products from the hypervalent iodine oxidation of hydroxylated stilbenes and isoflavones.","Organic & biomolecular chemistry","2005","3","21","3996","4001","10.1039/b510240e","","","0.71073","MoKα","","0.07","0.0435","","","0.1113","0.1268","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150285","8.7617","0.0012","12.4255","0.0016","37.845","0.005","90","","94.123","0.003","90","","4109.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl2 N O3 S -","- C20 H19 Cl2 N O3 S -","- C160 H152 Cl16 N8 O24 S8 -","8","2","","Zhao, Gui-Ling; Shi, Min","Baylis-Hillman reactions of N-tosyl aldimines and aryl aldehydes with 3-methylpenta-3,4-dien-2-one.","Organic & biomolecular chemistry","2005","3","20","3686","3694","10.1039/b510572b","","","0.71073","MoKα","","0.1297","0.0653","","","0.1469","0.177","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150286","7.7703","0.0001","20.6759","0.0003","11.1315","0.0002","90","","95.594","0.001","90","","1779.85","0.05","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-(4-Pyrrolidino)-(2,3,5,6-tetrachloropyridin-4-yl)- pyridinium tetrafluoroborate","1-(4-Pyrrolidino)-[2,3,5,6-tetrachloropyridin-4-yl]-pyridinium tetrafluoroborate","","- C14 H12 B Cl4 F4 N3 -","- C14 H12 B Cl4 F4 N3 -","- C56 H48 B4 Cl16 F16 N12 -","4","1","","Schmidt, Andreas; Mordhorst, Thorsten; Nieger, Martin","From uncharged to decacationic molecules: syntheses and spectroscopic properties of heteroarenium-substituted pyridines.","Organic & biomolecular chemistry","2005","3","20","3788","3793","10.1039/b510627c","","","0.71073","MoKα","","0.0392","0.032","","","0.0798","0.0831","","","","","","1.049","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150287","10.244","0.002","13.92","0.003","13.155","0.003","90","","92.4243","0.0017","90","","1874.2","0.7","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C80 H72 N8 O32 -","8","2","","Palmer, Francine N.; Lach, Franck; Poriel, Cyril; Pepper, Adrian G.; Bagley, Mark C.; Slawin, Alexandra M. Z.; Moody, Christopher J.","The diazo route to diazonamide A: studies on the tyrosine-derived fragment.","Organic & biomolecular chemistry","2005","3","20","3805","3811","10.1039/b510653b","","","0.71073","MoKα","","0.0471","0.0367","","","0.0886","0.0937","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150288","8.418","0.003","13.169","0.009","15.523","0.013","90","","90","","90","","1721","2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","bis(1,2,3,4-tetramethylcyclopentadienyl)selenium","bis(1,2,3,4-tetramethylcyclopentadienyl)selenium","","- C18 H26 Se -","- C18 H26 Se -","- C72 H104 Se4 -","4","1","","Ford, Susan; Hofmann, Marco; Morley, Christopher P.; Roberts, John L.; Di Vaira, Massimo","Tetramethylcyclopentadienylselenium derivatives.","Organic & biomolecular chemistry","2005","3","21","3990","3995","10.1039/b510981g","","","1.5418","CuKα","","0.0302","0.0295","","","0.0741","0.0748","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150289","7.325","0.002","8.283","0.003","8.758","0.003","62.64","0.03","84.18","0.03","67.59","0.03","434.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,4,5,6,7,10,11,12-octamethyltricyclo(7.3.0.0)-2,8- diselenadodeca-3,5,9,11-tetraene","1,4,5,6,7,10,11,12-octamethyltricyclo[7.3.0.0]- 2,8-diselenadodeca-3,5,9,11-tetraene","","- C9 H12 Se -","- C9 H12 Se -","- C18 H24 Se2 -","2","1","","Ford, Susan; Hofmann, Marco; Morley, Christopher P.; Roberts, John L.; Di Vaira, Massimo","Tetramethylcyclopentadienylselenium derivatives.","Organic & biomolecular chemistry","2005","3","21","3990","3995","10.1039/b510981g","","","0.71069","MoKα","","0.076","0.0489","","","0.112","0.1201","","","","","","1.154","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150290","6.7593","0.0005","7.8597","0.0006","18.4268","0.0014","90","","90.99","0.004","90","","978.8","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","","Basak, Amit; Ghosh, Subhash C.; Das, Amit K.; Bertolasi, Valerio","A novel azetidinyl gamma-lactam based peptide with a preference for beta-turn conformation.","Organic & biomolecular chemistry","2005","3","22","4050","4052","10.1039/b511029g","","","0.71073","MoKα","","0.1237","0.0517","","","0.1133","0.1422","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150291","10.712","","13.782","","14.26","","90","","90","","90","","2105.24","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Mitjans, David","Kinetic and thermodynamic stereocontrol in the atroposelective formation of sulfoxides by oxidation of 2-sulfanyl-1-naphthamides.","Organic & biomolecular chemistry","2005","3","21","3898","3904","10.1039/b511452g","","","0.71069","MoKα","","0.0328","0.0314","","","0.0877","0.089","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150292","9.413","0.0019","10.281","0.002","11.618","0.002","101.32","0.03","109.63","0.03","112.28","0.03","909.9","0.6","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C48 H44 N4 O2 -","2","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Shinkevich, Ekaterina Yu; Vidovic, Denis","Selective transannular ring transformations in azirino-fused eight-membered O,N- or S,N-heterocycles.","Organic & biomolecular chemistry","2005","3","22","4040","4042","10.1039/b512409c","","","0.71073","MoKα","","0.0616","0.0446","","","0.111","0.1196","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150293","9.8194","0.0002","20.3687","0.0009","10.7783","0.0004","90","","116.445","0.002","90","","1930.18","0.12","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0758","0.0472","","0.1615","0.1114","","","","1.042","1.098","1.098","","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150294","6.4142","0.0004","13.0225","0.0013","12.6626","0.0012","90","","91.031","0.005","90","","1057.52","0.16","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O9 -","- C21 H27 N O9 -","- C42 H54 N2 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0857","0.0694","","","0.1661","0.176","","","","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150295","6.8253","0.0002","12.1456","0.0006","15.2031","0.0012","113.501","0.002","93.419","0.003","92.824","0.005","1150.02","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H28 Cl N O9 -","- C21.5 H28 Cl N O9 -","- C43 H56 Cl2 N2 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0932","0.0541","","","0.1142","0.131","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150296","12.0281","0.0006","17.769","0.0009","14.0771","0.0005","90","","114.804","0.003","90","","2731.1","0.2","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 O8 -","- C32 H32 O8 -","- C128 H128 O32 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.079","0.0519","","","0.1151","0.1281","","","","","","1.015","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150297","6.6987","0.0003","13.8444","0.0007","14.0583","0.0007","105.07","0.002","101.138","0.003","95.648","0.003","1219.91","0.1","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 Cl2 O9 -","- C22 H30 Cl2 O9 -","- C44 H60 Cl4 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0878","0.0522","","","0.1191","0.1345","","","","","","1.04","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150298","14.6048","0.0006","7.954","0.0004","19.9249","0.0009","90","","99.051","0.003","90","","2285.79","0.18","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O9 -","- C23 H29 N O9 -","- C92 H116 N4 O36 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.1226","0.0524","","0.1746","0.108","","","","1.012","1.14","1.14","","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150299","10.4467","0.0003","11.4334","0.0004","18.614","0.0007","90","","91.264","0.002","90","","2222.74","0.13","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 O10 -","- C21 H30 O10 -","- C84 H120 O40 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0877","0.0497","","0.1639","0.1135","","","","1.049","1.116","1.116","","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150300","9.2857","0.0003","10.4352","0.0003","21.127","0.0008","90","","90","","90","","2047.17","0.12","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O7 -","- C20 H34 O7 -","- C80 H136 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0955","0.0685","","","0.1884","0.2063","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150301","19.0707","0.0007","13.0777","0.0003","27.3853","0.0011","90","","90","","90","","6829.9","0.4","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O7 -","- C16 H21 N O7 -","- C256 H336 N16 O112 -","16","2","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.1362","0.0546","","0.1867","0.1189","","","","1.013","1.139","1.139","","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150302","14.2904","0.0008","10.495","0.0006","11.2184","0.0004","90","","108.84","0.003","90","","1592.37","0.14","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N O7 -","- C14 H23 N O7 -","- C56 H92 N4 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0923","0.0498","","0.187","0.1305","","","","1.068","1.119","1.119","","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150303","7.9383","0.0002","14.4423","0.0003","15.4979","0.0004","90","","90","","90","","1776.79","0.07","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O6 -","- C17 H28 O6 -","- C68 H112 O24 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0557","0.0439","","","0.1015","0.1075","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150304","8.5902","0.0002","10.0809","0.0002","16.5589","0.0004","90","","90","","90","","1433.95","0.06","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0419","0.0357","","","0.0792","0.0828","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150305","10.4635","0.0003","9.3926","0.0002","10.5987","0.0003","90","","111.888","0.001","90","","966.55","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27.5 Br O6.25 -","- C17 H27 Br O6.25 -","- C34 H54 Br2 O12.5 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0738","0.0635","","","0.1591","0.1663","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150306","9.9656","0.0007","17.1331","0.0013","8","0.0004","90","","100.757","0.004","90","","1341.93","0.16","180","2","180","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0506","0.0367","","0.145","0.0835","","","","1.073","1.088","1.088","","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150307","8.9592","0.0007","9.2569","0.0006","15.3512","0.0011","79.472","0.001","83.129","0.001","69.351","0.001","1169.19","0.15","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O7 S -","- C24 H27 N O7 S -","- C48 H54 N2 O14 S2 -","2","1","","Mitchell, Judith M.; Finney, Nathaniel S.","Synthetic studies of pseurotin A: preparation of an advanced lactam aldehyde intermediate.","Organic & biomolecular chemistry","2005","3","23","4274","4281","10.1039/b512701g","","","0.71073","MoKα","","0.0713","0.0596","","","0.1529","0.1614","","","","","","1.057","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150308","15.3223","0.0004","12.7909","0.0003","14.0095","0.0005","90","","104.82","0.0012","90","","2654.34","0.13","150","","150","","","","","","","","?","4","C 1 c 1","C -2yc","9","","","","- C33 H29 N O2 -","- C33 H29 N O2 -","- C132 H116 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0952","0.0509","","0.1048","0.0508","0.0508","","","","","","1.0101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150309","9.6597","0.0002","14.5094","0.0002","17.0652","0.0003","90","","95.093","0.0006","90","","2382.35","0.07","190","","190","","","","","","","","?","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N O2 -","- C32 H27 N O2 -","- C128 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0613","0.0413","","0.0644","0.0507","0.0507","","","","","","1.0614","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150310","11.608","0.0003","17.2569","0.0005","17.9855","0.0005","90","","103.702","0.0017","90","","3500.29","0.17","150","","150","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 N O3 -","- C46 H37 N O3 -","- C184 H148 N4 O12 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.1193","0.0463","","0.1191","0.0528","0.0528","","","","","","0.9006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150311","17.7513","0.0003","5.9105","0.0001","23.5922","0.0005","90","","96.6068","0.0009","90","","2458.83","0.08","190","","190","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O2 -","- C32 H27 N O2 -","- C128 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0723","0.0395","","0.0696","0.046","0.046","","","","","","1.0569","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150312","22.3209","0.0006","5.822","0.0002","22.4854","0.0007","90","","116.634","0.0012","90","","2611.97","0.14","120","","120","","","","","","","","?","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H27 N O2 -","- C36 H27 N O2 -","- C144 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.084","0.0396","","0.079","0.0415","0.0415","","","","","","1.0962","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151345","6.853","0.0002","9.6726","0.0003","21.2802","0.0007","90","","90","","90","","1410.59","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O5 S -","- C13 H15 Cl O5 S -","- C52 H60 Cl4 O20 S4 -","4","1","","Alonso, A. Mateo; Horcajada, Roberto; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","The reactivity, as electrogenerated bases, of chiral and achiral phenazine radical-anions, including application in asymmetric deprotonation.","Organic & biomolecular chemistry","2005","3","15","2842","2847","10.1039/b506309d","","","0.71073","MoKα","","0.0309","0.0276","","","0.0666","0.0683","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151346","21.102","0.008","10.963","0.006","5.929","0.002","90","","92.57","0.05","90","","1370.2","1","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C56 H64 O16 S4 -","4","1","","Alonso, A. Mateo; Horcajada, Roberto; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","The reactivity, as electrogenerated bases, of chiral and achiral phenazine radical-anions, including application in asymmetric deprotonation.","Organic & biomolecular chemistry","2005","3","15","2842","2847","10.1039/b506309d","","","0.71073","MoKα","","0.1293","0.0521","","","0.125","0.1498","","","","","","1.008","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151347","23.051","0.001","7.509","0.001","7.739","0.001","90","","90","","90","","1339.5","0.3","198","2","198","2","","","","","","","","4","P c a 21","P 2c -2ac","29","clausine H","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Kataeva, Olga; Krahl, Micha P.; Knölker, Hans-Joachim","First total synthesis of the biologically active 2,7-dioxygenated tricyclic carbazole alkaloids 7-methoxy-O-methylmukonal, clausine H (clauszoline-C), clausine K (clauszoline-J) and clausine O.","Organic & biomolecular chemistry","2005","3","17","3099","3101","10.1039/b507660a","","","0.71073","MoKα","","0.0458","0.0324","","","0.0693","0.074","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151348","24.2176","0.0008","14.582","0.0005","14.204","0.0005","90","","90","","90","","5016","0.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","6a in paper","","","- C25 H28 Cl2 N2 O2 S -","- C25 H28 Cl2 N2 O2 S -","- C200 H224 Cl16 N16 O16 S8 -","8","2","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0688","0.0588","","","0.1529","0.1612","","","","","","1.066","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151349","11.762","0.0001","13.0069","0.0001","14.7316","0.0002","90","","97.724","0.001","90","","2233.3","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6b in paper","","","- C26 H27 N3 O4 -","- C26 H27 N3 O4 -","- C104 H108 N12 O16 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0583","0.0413","","","0.0999","0.1098","","","","","","1.032","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151350","15.6913","0.0001","16.5338","0.0002","18.142","0.0002","90","","99.574","0.001","90","","4641.15","0.08","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6c in paper?","","","- C27 H30 N2 O3 -","- C27 H30 N2 O3 -","- C216 H240 N16 O24 -","8","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.1037","0.0495","","","0.1203","0.1477","","","","","","1.007","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151351","9.8924","0.0002","10.3918","0.0002","23.1132","0.0004","90","","95.472","0.001","90","","2365.21","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6e in paper","","","- C25 H26 N2 O2 S -","- C26 H32 N2 O3 S -","- C104 H128 N8 O12 S4 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0653","0.0414","","","0.1027","0.1147","","","","","","1.028","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151352","8.6239","0.0001","22.0514","0.0004","13.2225","0.0001","90","","100.164","0.001","90","","2475.05","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6f in paper","","","- C25 H28 N2 O2 S -","- C29 H26.815 N2 O2 S -","- C116 H107.26 N8 O8 S4 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.1031","0.0675","","","0.1907","0.2133","","","","","","1.038","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151353","11.5257","0.0003","12.9651","0.0004","10.7417","0.0003","90","","94.77","0.001","90","","1599.59","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6l in paper","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.046","0.0358","","","0.0893","0.0959","","","","","","1.028","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151354","11.25","0.0002","11.291","0.0002","11.708","0.0002","76.459","0.001","64.71","0.001","64.809","0.001","1214.28","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N2 O7 -","- C27 H26 N2 O7 -","- C54 H52 N4 O14 -","2","1","","Heaney, Frances; McCarthy, Tomas; Mahon, Mary; McKee, V.","Bridgehead nitrogen heterocycles which contain the quinazoline moiety ‒ synthesis and cycloaddition of 1,2-dihydroquinazoline 3-oxides.","Organic & biomolecular chemistry","2005","3","24","4351","4361","10.1039/b511998g","","","0.71073","MoKα","","0.0837","0.0634","","","0.1751","0.1938","","","","","","1.028","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151355","11.1011","0.0012","21.952","0.002","15.9307","0.0017","90","","103.285","0.002","90","","3778.3","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N2 O17 -","- C39 H38 N2 O17 -","- C156 H152 N8 O68 -","4","1","","Heaney, Frances; McCarthy, Tomas; Mahon, Mary; McKee, V.","Bridgehead nitrogen heterocycles which contain the quinazoline moiety ‒ synthesis and cycloaddition of 1,2-dihydroquinazoline 3-oxides.","Organic & biomolecular chemistry","2005","3","24","4351","4361","10.1039/b511998g","","","0.71073","MoKα","","0.0958","0.0475","","","0.1027","0.1226","","","","","","1.01","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151356","10.675","0.0004","10.8521","0.0005","33.594","0.0012","90","","90","","90","","3891.7","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetic acid 5-(5-acetoxy-2,2-dimethyl-(1,3)dioxan-5-yl-ONN- azoxy)-2,2-dimethyl-(1,3)dioxan-5-yl ester","","","- C16 H26 N2 O9 -","- C16 H26 N2 O9 -","- C128 H208 N16 O72 -","8","1","","Calvet, Géraldine; Guillot, Régis; Blanchard, Nicolas; Kouklovsky, Cyrille","Intermolecular nitroso Diels-Alder cycloaddition of alpha-acetoxynitroso derivatives in aqueous medium.","Organic & biomolecular chemistry","2005","3","24","4395","4401","10.1039/b513397a","","","0.71073","MoKα","","0.0788","0.0452","","","0.1168","0.1383","","","","","","1.069","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7203674","11.923","0.002","12.551","0.002","25.711","0.005","90","","90","","90","","3847.5","1.2","175","2","175","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H62 Al3 F O9 S -","- C26 H62 Al3 F O9 S -","- C104 H248 Al12 F4 O36 S4 -","4","1","","Stephan K. Ruediger; Udo Groß; Michael Feist; Hillary A. Prescott; S. Chandra Shekar; Sergey I. Troyanov; Erhard Kemnitz","Non-aqueous synthesis of high surface area aluminium fluoride-a mechanistic investigation","Journal of Materials Chemistry","2005","15","5","588","","10.1039/b411457d","","","0.71073","MoKα","","0.0539","0.0365","","","0.0774","0.0815","","","","","","0.795","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203675","7.127","0.001","19.098","0.004","12.535","0.003","87.03","0.03","71.53","0.03","87.7","0.03","1615.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","tetra(bis(ethylenedioxo)tetrathiafulvalene) tetracyano-nickel acetonitrile solvate","","","- C26 H22 N4 Ni0.5 O8 S8 -","- C26 H16 N4 Ni0.5 O8 S8 -","- C52 H32 N8 Ni O16 S16 -","2","1","","Dubrovskii, Alexander D.; Spitsina, Nataliya G.; Buravov, Lev I.; Shilov, Gennadii V.; Dyachenko, Oleg A.; Yagubskii, Eduard B.; Laukhin, Vladimir N.; Canadell, Enric","New molecular metals based on BEDO radical cation salts with the square planar Ni(CN)42? anion","Journal of Materials Chemistry","2005","","","1248","1254","10.1039/b412580k","","","1.54178","CuKα","","0.1958","0.0748","","","0.1832","0.2091","","","","","","0.842","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203676","17.542","0.004","10.415","0.002","10.928","0.002","71.94","0.03","84.4","0.03","88.88","0.03","1889","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","penta(bis(ethylenedioxo)tetrathiafulvalene) tetracyano-nickel ethylene glycol solvate","","","- C30 H29 N2 Ni0.5 O13 S10 -","- C30 H20 N2 Ni0.5 O13 S10 -","- C60 H40 N4 Ni O26 S20 -","2","1","","Dubrovskii, Alexander D.; Spitsina, Nataliya G.; Buravov, Lev I.; Shilov, Gennadii V.; Dyachenko, Oleg A.; Yagubskii, Eduard B.; Laukhin, Vladimir N.; Canadell, Enric","New molecular metals based on BEDO radical cation salts with the square planar Ni(CN)42? anion","Journal of Materials Chemistry","2005","","","1248","1254","10.1039/b412580k","","","1.54178","CuKα","","0.127","0.0674","","","0.1864","0.2099","","","","","","0.907","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203677","12.7434","0.0009","15.6535","0.0011","17.7496","0.0013","90.56","0.01","95.93","0.01","107.64","0.01","3353","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,7-Bis{4-[2-(4-dodecyloxyphenyl)-1,3,4-oxadiazol-5-yl]phenyl}- 9,9-dihexylfluorene","","- C77 H98 N4 O4 -","- C77 H98 N4 O4 -","- C154 H196 N8 O8 -","2","1","","Oyston, Stephen; Wang, Changsheng; Hughes, Gregory; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Pearson, Christopher; Petty, Michael C.","New 2,5-diaryl-1,3,4-oxadiazole?fluorene hybrids as electron transporting materials for blended-layer organic light emitting diodes","Journal of Materials Chemistry","2005","15","1","194","","10.1039/b413066a","","","0.71073","MoKα","","0.1057","0.0573","","","0.1179","0.1402","","","","","","1.008","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203678","29.331","0.002","12.128","0.001","41.706","0.003","90","","108.896","0.002","90","","14036.4","1.8","140","1","140","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 1","","","- C80 H112 Cl In N8 -","- C80 H77 Cl In N8 -","- C640 H616 Cl8 In8 N64 -","8","1","","Aurélien Auger; Paul M. Burnham; Isabelle Chambrier; Michael J. Cook; David L. Hughes","X-Ray crystallographic studies of three substituted indium(iii) phthalocyanines: effect of ring substitution and the axial ligand on molecular geometry and packing","Journal of Materials Chemistry","2005","15","1","168","","10.1039/b413189b","","","0.71073","Mo-Kα","","0.064","0.0577","","","0.1393","0.1432","","","","","","1.164","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203679","12.873","0.003","17.91","0.004","17.642","0.004","102.92","0.03","93.73","0.03","90.5","0.03","3955","1.6","293","1","293","1","","","","","","","","5","P -1","-P 1","2","Compound 2","","","- C86 H116 F In N8 -","- C86 H90 F In N8 -","- C172 H180 F2 In2 N16 -","2","1","","Aurélien Auger; Paul M. Burnham; Isabelle Chambrier; Michael J. Cook; David L. Hughes","X-Ray crystallographic studies of three substituted indium(iii) phthalocyanines: effect of ring substitution and the axial ligand on molecular geometry and packing","Journal of Materials Chemistry","2005","15","1","168","","10.1039/b413189b","","","0.71073","Mo-Kα","","0.1582","0.0645","","","0.1279","0.1596","","","","","","0.935","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203680","12.694","0.003","17.033","0.003","17.996","0.004","108.54","0.03","103.32","0.03","92.96","0.03","3556.8","1.6","140","1","140","1","","","","","","","","7","P -1","-P 1","2","Compound 3","","","- C76 H103 Br Cl In N8 O2 -","- C76 H103 Br Cl In N8 O2 -","- C152 H206 Br2 Cl2 In2 N16 O4 -","2","1","","Aurélien Auger; Paul M. Burnham; Isabelle Chambrier; Michael J. Cook; David L. Hughes","X-Ray crystallographic studies of three substituted indium(iii) phthalocyanines: effect of ring substitution and the axial ligand on molecular geometry and packing","Journal of Materials Chemistry","2005","15","1","168","","10.1039/b413189b","","","0.71073","Mo-Kα","","0.1258","0.0682","","","0.1707","0.1885","","","","","","0.936","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203681","10.0229","0.0002","5.958","0.0001","34.9009","0.0006","90","","90","","90","","2084.16","0.07","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H9 Cd O6 P -","- C8 Cd O6 P -","- C64 Cd8 O48 P8 -","8","2","","Stock, Norbert; Bein, Thomas","High-throughput investigation of metal carboxyarylphosphonate hybrid compounds","Journal of Materials Chemistry","2005","15","13","1384","","10.1039/b413318h","","","0.71073","MoKα","","0.0728","0.0476","","","0.1371","0.1519","","","","","","1.116","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203682","4.5914","0.0006","5.981","0.0008","17.811","0.003","81.513","0.016","86.272","0.016","82.251","0.015","478.83","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Copper di(4-methylene-hydrogenphosphono-benzoic acid)-di-hydrate","","","- C16 H20 Cu O12 P2 -","- C16 H20 Cu O12 P2 -","- C16 H20 Cu O12 P2 -","1","0.5","","Stock, Norbert; Bein, Thomas","High-throughput investigation of metal carboxyarylphosphonate hybrid compounds","Journal of Materials Chemistry","2005","15","13","1384","","10.1039/b413318h","","","0.71073","MoKα","","0.0904","0.0395","","","0.0658","0.075","","","","","","0.809","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203683","4.6198","0.0001","5.9379","0.0002","18.0676","0.0002","83.119","0.002","88.307","0.002","84.461","0.002","489.68","0.02","293","2","200","","","","","","","","","5","P -1","-P 1","2","","Manganese di(4-methylene-hydrogenphosphono-benzoic acid)-di-hydrate","","- C16 H20 Mn O12 P2 -","- C16 H20 Mn O12 P2 -","- C16 H20 Mn O12 P2 -","1","0.5","","Stock, Norbert; Bein, Thomas","High-throughput investigation of metal carboxyarylphosphonate hybrid compounds","Journal of Materials Chemistry","2005","15","13","1384","","10.1039/b413318h","","","0.71073","MoKα","","0.0519","0.0347","","","0.0783","0.0843","","","","","","1.057","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203684","9.8261","0.0001","5.8393","0.0001","35.252","0.0004","90","","90","","90","","2022.67","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H9 Mn O6 P -","- C8 Mn O6 P -","- C64 Mn8 O48 P8 -","8","2","","Stock, Norbert; Bein, Thomas","High-throughput investigation of metal carboxyarylphosphonate hybrid compounds","Journal of Materials Chemistry","2005","15","13","1384","","10.1039/b413318h","","","0.71073","MoKα","","0.1063","0.0736","","","0.205","0.2288","","","","","","1.107","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203685","7.1061","0.0008","5.9558","0.0007","34.129","0.004","90","","90","","90","","1444.4","0.3","160","2","160","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2-bis(4'-carbomethoxyphenyl)ethyne","1,2-bis(4'-carbomethoxyphenyl)ethyne","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","0.5","","Tolulope M. Fasina; Jonathan C. Collings; Jacqueline M. Burke; Andrei S. Batsanov; Richard M. Ward; David Albesa-Jové; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Andrew J. Scott; William Clegg; Stephen W. Watt; Christopher Viney; Todd B. Marder","Synthesis, optical properties, crystal structures and phase behaviour of symmetric, conjugated ethynylarene-based rigid rods with terminal carboxylate groups","Journal of Materials Chemistry","2005","15","6","690","","10.1039/b413514h","","","0.71073","MoKα","","0.0512","0.0405","","","0.1065","0.112","","","","","","1.085","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203686","7.0249","0.0005","10.4613","0.0008","11.7016","0.0008","75.204","0.003","72.585","0.003","75.457","0.003","778.97","0.1","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1,4-Bis(4-carbomethoxyphenyl)butadiyne","1,4-Bis(4-carbomethoxyphenyl)butadiyne","","- C20 H14 O4 -","- C20 H14 O4 -","- C40 H28 O8 -","2","1","","Tolulope M. Fasina; Jonathan C. Collings; Jacqueline M. Burke; Andrei S. Batsanov; Richard M. Ward; David Albesa-Jové; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Andrew J. Scott; William Clegg; Stephen W. Watt; Christopher Viney; Todd B. Marder","Synthesis, optical properties, crystal structures and phase behaviour of symmetric, conjugated ethynylarene-based rigid rods with terminal carboxylate groups","Journal of Materials Chemistry","2005","15","6","690","","10.1039/b413514h","","","0.71073","MoKα","","0.0718","0.0551","","","0.1307","0.1406","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203687","7.225","0.001","11.66","0.001","15.381","0.001","77.343","0.001","83.037","0.001","72.026","0.001","1200.6","0.2","110","2","110","2","","","","","","","","3","P -1","-P 1","2","9,10-bis(4'-carbomethoxyphenylethynyl)anthracene","9,10-bis(4'-carbomethoxyphenylethynyl)anthracene","","- C34 H22 O4 -","- C34 H22 O4 -","- C68 H44 O8 -","2","1","","Tolulope M. Fasina; Jonathan C. Collings; Jacqueline M. Burke; Andrei S. Batsanov; Richard M. Ward; David Albesa-Jové; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Andrew J. Scott; William Clegg; Stephen W. Watt; Christopher Viney; Todd B. Marder","Synthesis, optical properties, crystal structures and phase behaviour of symmetric, conjugated ethynylarene-based rigid rods with terminal carboxylate groups","Journal of Materials Chemistry","2005","15","6","690","","10.1039/b413514h","","","0.71073","MoKα","","0.0592","0.04","","","0.1075","0.12","","","","","","1.019","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203688","11.254","0.0002","11.9432","0.0002","23.8124","0.0007","90","","90","","90","","3200.6","0.12","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 N2 O3 -","- C16 H23 N2 O3 -","- C128 H184 N16 O24 -","8","1","","Christophe Stroh; Raymond Ziessel; Gabriele Raudaschl-Sieber; Frank H. Köhler; Philippe Turek","Intramolecular exchange interactions in non-aromatic bis-nitronyl-nitroxides","Journal of Materials Chemistry","2005","15","8","850","","10.1039/b414284e","","","0.71073","Mo-Kα","","0.089","0.037","","0.51","","0.058","","","8.845","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203689","7.0087","0.0004","16.27","0.001","10.3874","0.0005","90","","99.244","0.004","90","","1169.11","0.11","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 N4 O4 -","- C22 H34 N4 O4 -","- C44 H68 N8 O8 -","2","0.5","","Christophe Stroh; Raymond Ziessel; Gabriele Raudaschl-Sieber; Frank H. Köhler; Philippe Turek","Intramolecular exchange interactions in non-aromatic bis-nitronyl-nitroxides","Journal of Materials Chemistry","2005","15","8","850","","10.1039/b414284e","","","0.71073","Mo-Kα","","0.087","0.048","","0.081","","0.076","","","1.597","","","1.556","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203690","10.319","0.0006","9.7704","0.0008","12.362","0.0008","90","","113.394","0.006","90","","1143.89","0.15","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N4 O4 -","- C22 H24 N4 O4 -","- C44 H48 N8 O8 -","2","0.5","","Christophe Stroh; Raymond Ziessel; Gabriele Raudaschl-Sieber; Frank H. Köhler; Philippe Turek","Intramolecular exchange interactions in non-aromatic bis-nitronyl-nitroxides","Journal of Materials Chemistry","2005","15","8","850","","10.1039/b414284e","","","0.71073","Mo-Kα","","0.112","0.056","","0.106","","0.072","","","1.573","","","1.114","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203691","12.0367","0.0011","20.9059","0.0018","8.6999","0.0008","90","","90","","90","","2189.2","0.3","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","2,4,6-tris(4-fluorobenzylamino)-1,3,5-triazine","2,4,6-tris(4-fluorobenzylamino)-1,3,5-triazine","","- C24 H21 F3 N6 -","- C24 H21 F3 N6 -","- C96 H84 F12 N24 -","4","1","","Srinivas, K.; Sitha, Sanyasi; Rao, V. Jayathirtha; Bhanuprakash, K.; Ravikumar, K.; Anthony, S. Philip; Radhakrishnan, T. P.","First hyperpolarizability of some nonconjugated donor?acceptor 3D molecules: noncentrosymmetric crystal through conformational flexibility","Journal of Materials Chemistry","2005","15","9","965","","10.1039/b414311f","","","0.71073","MoKα","","0.0741","0.0456","","","0.0962","0.1085","","","","","","1.113","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203692","11.2451","0.0005","11.7178","0.0005","14.2394","0.0006","106.876","0.001","91.234","0.001","100.583","0.001","1759.35","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H35 Ir N2 O2 -","- C47 H35 Ir N2 O2 -","- C94 H70 Ir2 N4 O4 -","2","1","","Wu, Fang-Iy; Su, Huei-Jen; Shu, Ching-Fong; Luo, Liyang; Diau, Wei-Guang; Cheng, Chien-Hong; Duan, Jiun-Pey; Lee, Gene-Hsiang","Tuning the emission and morphology of cyclometalated iridium complexes and their applications to organic light-emitting diodes","Journal of Materials Chemistry","2005","15","10","1035","","10.1039/b415754k","","","0.71073","MoKα","","0.0405","0.0347","","","0.0708","0.0787","","","","","","1.03","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203693","26.6252","0.0006","26.6252","","14.6744","0.0007","90","","90","","120","","9009","0.5","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9.33 H18.33 Cl N3 S6 Sb -","- C9.33333 H18 Cl0.99 N3 S6 Sb -","- C168 H324 Cl17.82 N54 S108 Sb18 -","18","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.054","0.043","","","0.111","0.118","","","","","","1.03","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203694","10.3916","0.0006","11.466","0.0007","13.752","0.0009","95.617","0.001","110.929","0.001","106.614","0.002","1429.47","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 Cl3 N3 S6 Sb -","- C19 H31 Cl3 N3 S6 Sb -","- C38 H62 Cl6 N6 S12 Sb2 -","2","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.05","0.039","","","0.085","0.09","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203695","10.908","0.0006","13.5802","0.0007","18.8708","0.001","90","","99.305","0.001","90","","2758.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 N3 S6 Sb -","- C21 H36 N3 S6 Sb -","- C84 H144 N12 S24 Sb4 -","4","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.135","0.071","","","0.115","0.135","","","","","","1.02","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203696","9.8634","0.0006","13.1293","0.0007","17.145","0.0009","93.689","0.001","99.276","0.001","105.504","0.001","2098","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H42 N3 S6 Sb -","- C45 H42 N3 S6 Sb -","- C90 H84 N6 S12 Sb2 -","2","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.058","0.045","","","0.098","0.107","","","","","","1.02","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203697","8.8461","0.0016","11.626","0.002","14.915","0.003","90","","91.171","0.003","90","","1533.6","0.5","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H56 As2 In2 -","- C24 H56 As2 In2 -","- C48 H112 As4 In4 -","2","0.5","","Malik, Mohammad Azad; O'Brien, Paul; Helliwell, M.","A new synthesis of InAs quantum dots from [tBu2AsInEt2]2","Journal of Materials Chemistry","2005","15","14","1463","","10.1039/b416944a","","","0.71073","MoKα","","0.0518","0.0449","","","0.1022","0.1057","","","","","","1.112","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203698","10.0685","0.0002","12.7121","0.0003","10.079","0.0002","90","","115.515","0.001","90","","1164.22","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-hydroxyethyl)ferrocene carboxamide","N-(2-hydroxyethyl)ferrocene carboxamide","","- C13 H15 Fe N O2 -","- C13 H15 Fe N O2 -","- C52 H60 Fe4 N4 O8 -","4","1","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0343","0.0274","","","0.0645","0.0681","","","","","","1.056","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203699","9.0886","0.0002","10.0348","0.0001","16.761","0.0003","90","","90","","90","","1528.64","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N,N'-bis(2-hydroxyethyl)ferrocene 1,1-dicarboxamide","N,N'-bis(2-hydroxyethyl)ferrocene 1,1-dicarboxamide","","- C16 H20 Fe N2 O4 -","- C16 H20 Fe N2 O4 -","- C64 H80 Fe4 N8 O16 -","4","1","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0196","0.0191","","","0.0499","0.0502","","","","","","1.067","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203700","12.697","0.0002","10.017","0.0002","22.015","0.0003","90","","92.601","0.001","90","","2797.11","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-bis(2-hydroxyethyl)ferrocene carboxamide","N,N-bis(2-hydroxyethyl)ferrocene carboxamide","","- C15 H19 Fe N O3 -","- C15 H19 Fe N O3 -","- C120 H152 Fe8 N8 O24 -","8","2","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0678","0.0536","","","0.1343","0.1412","","","","","","1.08","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203701","21.35","0.0003","7.75","0.0004","15.596","0.0005","90","","130.317","0.002","90","","1967.61","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N,N,N',N'-tetrakis(2-hydroxyethyl)-1,1'-ferrocenedicarboxamide","N,N,N',N'-tetrakis(2-hydroxyethyl)-1,1'-ferrocenedicarboxamide","","- C20 H28 Fe N2 O6 -","- C20 H28 Fe N2 O6 -","- C80 H112 Fe4 N8 O24 -","4","0.5","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0553","0.0365","","","0.0718","0.0785","","","","","","1.032","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203702","17.404","0.004","12.702","0.003","15.22","0.005","90","","100.46","0.02","90","","3308.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Fe Na3 O17 -","- C6 H10 Fe Na3 O17 -","- C48 H80 Fe8 Na24 O136 -","8","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0712","0.057","","","0.1434","0.1534","","","","","","1.097","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203703","13.231","0.003","13.395","0.003","15.823","0.003","85.6","0.03","86.42","0.03","62.85","0.03","2486.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H45 As2 Fe O12.5 -","- C53 H44 As2 Fe O12.5 -","- C106 H88 As4 Fe2 O25 -","2","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.073","0.0466","","","0.1213","0.1378","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203704","14.565","0.003","13.618","0.003","18.393","0.004","90","","111.28","0.03","90","","3399.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 As Fe N2 O9 -","- C38 H30 As Fe N2 O9 -","- C152 H120 As4 Fe4 N8 O36 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0549","0.0398","","","0.0923","0.1003","","","","","","1.014","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203705","9.4991","0.0019","14.279","0.003","14.557","0.003","103.57","0.03","99.94","0.03","105.77","0.03","1787.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 As Fe N2 O9 -","- C40 H28 As Fe N2 O9 -","- C80 H56 As2 Fe2 N4 O18 -","2","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0865","0.0525","","","0.1241","0.1424","","","","","","1.036","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203706","10.436","0.002","29.919","0.006","14.882","0.003","90","","99.47","0.03","90","","4583.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Fe2 N6 Na O19 -","- C42 H28 Fe2 N6 Na O19 -","- C168 H112 Fe8 N24 Na4 O76 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.1441","0.0794","","","0.2155","0.2587","","","","","","0.985","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203707","10.2341","0.0004","18.9036","0.0008","15.6521","0.0006","90","","105.011","0.001","90","","2924.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Hf N2 O6 -","- C24 H46 Hf N2 O6 -","- C96 H184 Hf4 N8 O24 -","4","1","","Loo, Yim Fun; O'Kane, Ruairi; Jones, Anthony C.; Aspinall, Helen C.; Potter, Richard J.; Chalker, Paul R.; Bickley, Jamie F.; Taylor, Stephen; Smith, Lesley M.","Deposition of HfO2 and ZrO2 films by liquid injection MOCVD using new monomeric alkoxide precursors","Journal of Materials Chemistry","2005","15","19","1896","","10.1039/b417389a","","","0.71073","MoKα","","0.0341","0.0277","","","0.0693","0.0719","","","","","","1.062","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203708","10.2627","0.0009","18.9374","0.0017","15.6465","0.0014","90","","104.772","0.002","90","","2940.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 N2 O6 Zr -","- C24 H46 N2 O6 Zr -","- C96 H184 N8 O24 Zr4 -","4","1","","Loo, Yim Fun; O'Kane, Ruairi; Jones, Anthony C.; Aspinall, Helen C.; Potter, Richard J.; Chalker, Paul R.; Bickley, Jamie F.; Taylor, Stephen; Smith, Lesley M.","Deposition of HfO2 and ZrO2 films by liquid injection MOCVD using new monomeric alkoxide precursors","Journal of Materials Chemistry","2005","15","19","1896","","10.1039/b417389a","","","0.71073","MoKα","","0.0355","0.0309","","","0.0777","0.0799","","","","","","1.018","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203709","7.2504","0.0016","9.346","0.002","11.785","0.003","108.4","0.003","98.483","0.003","108.72","0.003","689.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl2 Cu N2 O5 -","- C12 H10 Cl2 Cu N2 O5 -","- C24 H20 Cl4 Cu2 N4 O10 -","2","1","","Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]","CrystEngComm","2005","7","13","90","","10.1039/b417520d","","","0.71073","MoKα","","0.0364","0.0337","","","0.0933","0.0947","","","","","","1.096","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203710","6.4404","0.0004","9.7045","0.0006","13.6309","0.0008","76.339","0.001","84.205","0.001","78.894","0.001","810.96","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu N4 O11 -","- C12 H10 Cu N4 O11 -","- C24 H20 Cu2 N8 O22 -","2","1","","Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]","CrystEngComm","2005","7","13","90","","10.1039/b417520d","","","0.71073","MoKα","","0.0547","0.0478","","","0.1221","0.1255","","","","","","1.06","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203711","17.974","0.006","19.563","0.006","18.139","0.006","90","","114.41","0.01","90","","5808","3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C42 H26 Ag2 F6 N8 O6 S2 -","- C42 H24 Ag2 F6 N8 O6 S2 -","- C168 H96 Ag8 F24 N32 O24 S8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1463","0.0553","","0.1432","0.1221","","","","0.764","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203712","22.5979","0.0012","9.886","0.0006","22.9546","0.0013","90","","103.113","0.002","90","","4994.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H62 Ag2 Cl4 N12 O6 S2 -","- C78 H60 Ag2 Cl4 N12 O6.004 S2 -","- C156 H120 Ag4 Cl8 N24 O12.008 S4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1018","0.0712","","0.2631","0.2357","","","","1.093","","","","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203713","24.888","0.009","15.171","0.005","32.904","0.011","90","","98.9","0.01","90","","12274","7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H57 Ag2 F6 N17 O6 S2 Zn2 -","- C89 H57 Ag2 F6 N17 O6 S2 Zn2 -","- C356 H228 Ag8 F24 N68 O24 S8 Zn8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.097","0.0611","","","0.1534","0.1628","","","","","","0.868","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203714","9.782","0.001","18.303","0.003","18.832","0.003","99.82","0.01","99.17","0.01","96.74","0.01","3243.4","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H47 Ag2 N9 O7 S2 Zn -","- C58 H47 Ag2 N9 O7 S2 Zn -","- C116 H94 Ag4 N18 O14 S4 Zn2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1023","0.0615","","0.171","0.1582","","","","0.971","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203715","16.27","0.0006","11.3714","0.0004","16.604","0.0006","90","","91.6986","0.0016","90","","3070.6","0.19","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Bis(2,6-bis(3-(hydroxymethyl)pyrazol-1-yl)pyridine)iron(ii) diperchlorate, alpha polymorph","Bis[2,6-bis{3-(hydroxymethyl)pyrazol-1-yl}pyridine]iron(II) diperchlorate, alpha polymorph","","- C26 H26 Cl2 Fe N10 O12 -","- C26 H26 Cl2 Fe N10 O12 -","- C104 H104 Cl8 Fe4 N40 O48 -","4","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.0713","0.0621","","","0.1697","0.1822","","","","","","1.035","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203716","20.1578","0.0002","10.0249","0.0001","16.2228","0.0001","90","","108.316","0.0008","90","","3112.22","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(2,6-bis(3-(hydroxymethyl)pyrazol-1-yl)pyridine)iron(ii) diperchlorate, beta polymorph","Bis[2,6-bis{3-(hydroxymethyl)pyrazol-1-yl}pyridine]iron(II) diperchlorate, beta polymorph","","- C26 H26 Cl2 Fe N10 O12 -","- C26 H26 Cl2 Fe N10 O12 -","- C104 H104 Cl8 Fe4 N40 O48 -","4","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.0445","0.0388","","","0.1051","0.111","","","","","","1.028","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203717","22.8535","0.0002","11.6789","0.0001","27.9986","0.0003","90","","107.612","0.0005","90","","7122.65","0.12","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine)iron(ii) diperchlorate acetonitrile solvate","Bis[2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C27.5 H28.25 Cl2 Fe N10.75 O12 -","- C28.25 H26 Cl2 Fe N10 O12 -","- C226 H208 Cl16 Fe8 N80 O96 -","8","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.1025","0.0749","","","0.2076","0.2341","","","","","","1.088","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203718","22.4565","0.0002","11.604","0.0001","27.9163","0.0003","90","","107.381","0.0004","90","","6942.41","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine)iron(ii) diperchlorate acetonitrile solvate","Bis[2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C27.5 H28.25 Cl2 Fe N10.75 O12 -","- C28.25 H26 Cl2 Fe N10 O12 -","- C226 H208 Cl16 Fe8 N80 O96 -","8","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.109","0.0929","","","0.2487","0.2691","","","","","","1.094","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203719","11.2787","0.0012","11.699","0.0013","11.696","0.0013","90","","115.519","0.002","90","","1392.7","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H40 O2 Sn -","- C32 H39 O2 Sn -","- C64 H78 O4 Sn2 -","2","1","","John Fawcett; Eric G. Hope; Alison M. Stuart; Andrew J. West","Recycling of a perfluoroalkylated BINOL ligand using fluorous solid-phase extraction","Green Chemistry","2005","7","5","316","","10.1039/b418039a","","","0.71073","MoKα","","0.0459","0.045","","","0.1199","0.1205","","","","","","1.076","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203720","10.9119","0.0002","11.0748","0.0002","14.0183","0.0003","67.817","0.0009","70.609","0.001","65.733","0.001","1398.34","0.05","150","1","150","1","","","","","","","Synthesised by authors, see text","6","P -1","-P 1","2","(Trisaqua(18-crown-6)gadolinium(iii)) hexacyanoferrate(iii) dihydrate","[Trisaqua(18-crown-6)gadolinium(III)] hexacyanoferrate(III) dihydrate","","- C18 H34 Fe Gd N6 O11 -","- C18 H34 Fe Gd N6 O11 -","- C36 H68 Fe2 Gd2 N12 O22 -","2","1","","Rajesh Koner; Malabika Nayak; George Ferguson; John N. Low; Christopher Glidewell; Phalguni Misra; Sasankasekhar Mohanta","Strongly hydrogen bonded interlocked infinite double helices in a crown ether based gadolinium(iii) hexacyanoferrate(iii) supramolecule","CrystEngComm","2005","7","19","129","","10.1039/b418173e","","","0.71073","MoKα","","0.0241","0.0217","","","0.0653","0.0666","","","","","","1.201","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203721","7.4613","0.0009","20.3543","0.0019","20.47","0.002","90","","95.439","0.006","90","","3094.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Cd1.5 N2 O18 S -","- C21 H39 Cd1.5 N2 O18 S -","- C84 H156 Cd6 N8 O72 S4 -","4","1","","Liu, Qing -Yan; Xu, Li","(H2O)12-containing infinite chain encapsulated in supramolecular open framework built of cadmium(ii), 1,3-di(4-pyridyl)propane and 5-sulfoisophthalic acid monosodium salt","CrystEngComm","2005","7","12","87","","10.1039/b418341j","","","0.71073","MoKα","","0.055","0.0487","","","0.0954","0.0987","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203722","6.9376","0.0002","7.445","0.0002","9.1267","0.0002","97.732","0.002","103.958","0.002","115.766","0.002","396.24","0.02","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C12 H24 N4 O6 -","2","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0477","0.0414","","0.1173","0.1155","0.1173","","","","","","0.9936","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203723","8.9537","0.0011","5.4541","0.0006","13.61","0.004","90","","104.93","0.02","90","","642.2","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0724","0.0526","","0.1026","0.0957","0.1026","","","","","","1.0911","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203724","6.7254","0.0002","13.2572","0.0004","8.0529","0.0002","90","","98.603","0.002","90","","709.92","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0618","0.0419","","0.0913","0.0842","0.0913","","","","","","0.9736","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203725","8.741","0.0004","11.9042","0.0006","17.1842","0.0006","95.305","0.004","92.646","0.003","95.136","0.004","1770.61","0.14","295","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H37 Cl5 N2 O Os S32 -","- C47 H37 Cl5 N2 O Os S32 -","- C47 H37 Cl5 N2 O Os S32 -","1","0.5","","Simonov, Sergey V.; Shevyakova, Irina Yu.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Buravov, Lev I.; Emel'yanov, Vyacheslav A.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","Variety of molecular conducting layers in the family of radical cation salts based on BEDT-TTF with the metal mononitrosyl complex [OsNOCl5]2‒","Journal of Materials Chemistry","2005","15","25","2476","","10.1039/b419134j","","x-ray","0.71073","Mokα","","0.0474","0.0363","","","0.0793","0.0843","","","","","","1.015","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203726","8.7249","0.0003","10.338","0.0005","11.0927","0.0006","110.41","0.004","98.41","0.004","103.834","0.004","881.06","0.08","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cl5 N O Os S8 -","- C20 H16 Cl5 N O Os S16 -","- C20 H16 Cl5 N O Os S16 -","1","0.5","","Simonov, Sergey V.; Shevyakova, Irina Yu.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Buravov, Lev I.; Emel'yanov, Vyacheslav A.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","Variety of molecular conducting layers in the family of radical cation salts based on BEDT-TTF with the metal mononitrosyl complex [OsNOCl5]2‒","Journal of Materials Chemistry","2005","15","25","2476","","10.1039/b419134j","","x-ray","0.71073","Mokα","","0.0258","0.0247","","","0.063","0.0633","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203727","15.034","0.003","6.728","0.002","35.211","0.006","90","","92.98","0.01","90","","3556.7","1.4","293","2","295","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C44 H35.33 Cl6.66 N2 O2.67 Os1.33 S32 -","- C40 H32 Cl7.016 N1.404 O1.404 Os1.404 S32 -","- C80 H64 Cl14.032 N2.808 O2.808 Os2.808 S64 -","2","0.25","","Simonov, Sergey V.; Shevyakova, Irina Yu.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Buravov, Lev I.; Emel'yanov, Vyacheslav A.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","Variety of molecular conducting layers in the family of radical cation salts based on BEDT-TTF with the metal mononitrosyl complex [OsNOCl5]2‒","Journal of Materials Chemistry","2005","15","25","2476","","10.1039/b419134j","","x-ray","0.71073","Mokα","","0.0836","0.0493","","","0.1389","0.1563","","","","","","1.097","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203728","9.6275","0.0006","11.1599","0.0006","18.064","0.001","101.478","0.005","91.926","0.006","110.894","0.005","1765.31","0.19","293","2","292","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H37 Cl5 N2 O3 Os S32 -","- C45.976 H36.98 Cl5 N1.996 O2.992 Os S32 -","- C45.976 H36.98 Cl5 N1.996 O2.992 Os S32 -","1","0.5","","Simonov, Sergey V.; Shevyakova, Irina Yu.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Buravov, Lev I.; Emel'yanov, Vyacheslav A.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","Variety of molecular conducting layers in the family of radical cation salts based on BEDT-TTF with the metal mononitrosyl complex [OsNOCl5]2‒","Journal of Materials Chemistry","2005","15","25","2476","","10.1039/b419134j","","x-ray","0.71073","Mokα","","0.039","0.0329","","","0.0793","0.0941","","","","","","1.085","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203729","10.2875","0.0003","20.0546","0.0015","35.513","0.002","90","","93.238","0.005","90","","7315.1","0.7","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Br Fe O13 S32 -","- C52 H37 Br Fe O13 S32 -","- C208 H148 Br4 Fe4 O52 S128 -","4","0.5","","Eugenio Coronado; Simona Curreli; Carlos Giménez-Saiz; Carlos J. Gómez-García","A novel paramagnetic molecular superconductor formed by bis(ethylenedithio)tetrathiafulvalene, tris(oxalato)ferrate(iii) anions and bromobenzene as guest molecule: ET4[(H3O)Fe(C2O4)3]�C6H5Br","Journal of Materials Chemistry","2005","15","14","1429","","10.1039/b500107m","","","0.71073","MoKα","","0.1086","0.0487","","","0.1089","0.1333","","","","","","1.06","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203730","18.3353","0.001","7.6965","0.0004","12.7734","0.0007","90","","104.148","0.001","90","","1747.88","0.16","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 Cl2 N2 Na O6 S Zn -","- C9 H19 Cl2 N2 Na O6 S Zn -","- C36 H76 Cl8 N8 Na4 O24 S4 Zn4 -","4","1","","Liang, Hong-Chang; Das, Sanjib K.; Galvan, Juan R.; Sato, Suzanne M.; Zhang, Yonglian; Zakharov, Lev N.; Rheingold, Arnold L.","Syntheses of water-soluble N-donor ligands for aqueous catalysis using green, Michael-type addition reactions","Green Chemistry","2005","7","6","410","","10.1039/b500264h","","","0.71073","MoKα","","0.0348","0.0302","","","0.0723","0.0745","","","","","","1.031","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203731","8.868","0.001","9.123","0.001","45.055","0.005","90","","94.413","0.001","90","","3634.3","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(terpy)2](PF6)2.DMF","","","- C33 H29 F12 N7 Ni O P2 -","- C33 H29 F12 N7 Ni O P2 -","- C132 H116 F48 N28 Ni4 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering grids of metal complexes: development of the 2D M(terpy)2 embrace motif in crystals","CrystEngComm","2005","7","35","216","","10.1039/b500289c","","","0.71069","MoKα","","0.0602","0.0567","","","0.1471","0.1491","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203732","8.7687","0.0017","8.9641","0.0018","44.959","0.009","90","","90","","90","","3533.9","1.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 F12 N6 Ni O P2 -","- C33 H28 F12 N6 Ni O P2 -","- C132 H112 F48 N24 Ni4 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering grids of metal complexes: development of the 2D M(terpy)2 embrace motif in crystals","CrystEngComm","2005","7","35","216","","10.1039/b500289c","","","0.71073","MoKα","","0.0754","0.074","","","0.1807","0.1816","","","","","","1.161","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203733","8.668","0.005","9.278","0.006","20.214","0.009","78.8","0.04","78.24","0.04","87.93","0.03","1561.2","1.6","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 B2 F8 Fe N6 O3 -","- C30 H24 B2 F8 Fe N6 O3 -","- C60 H48 B4 F16 Fe2 N12 O6 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.053","","","","0.081","","","","","","1.95","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203734","8.7533","0.001","8.9226","0.001","19.8607","0.0023","90","0.005","99.557","0.005","90","0.005","1529.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Ru(terpy)(terpyOH)](BF4)2.H2O","","- C30 H22 B2 F8 N6 O2 Ru -","- C30 H22 B2 F8 N6 O2 Ru -","- C60 H44 B4 F16 N12 O4 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71069","MoKα","","0.0406","0.0401","","","0.1094","0.1099","","","","","","1.065","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203735","8.737","0.002","9.345","0.003","20.224","0.005","78.64","0.02","78.32","0.02","87.73","0.02","1585.4","0.8","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 B2 F8 N6 O3 Ru -","- C30 H24 B2 F8 N6 O3 Ru -","- C60 H48 B4 F16 N12 O6 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.041","","","","0.067","","","","","","1.8","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203736","8.806","0.002","9.047","0.001","20.163","0.004","90","","98.38","0.01","90","","1589.2","0.5","294","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H24 B2 Cu F8 N6 O3 -","- C30 H21 B2 Cu F8 N6 O3 -","- C60 H42 B4 Cu2 F16 N12 O6 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.051","","","","0.068","","","","","","1.27","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203737","8.774","0.003","8.871","0.002","38.795","0.009","90","","90","","90","","3019.6","1.4","294","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 B2 F8 N6 Ni O2 -","- C30 H20 B2 F8 N6 Ni O2 -","- C120 H80 B8 F32 N24 Ni4 O8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.046","","","","0.058","","","","","","1.97","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203738","5.317","0.001","8.265","0.002","12.265","0.003","99.7","0.01","91.54","0.01","89.18","0.01","531.1","0.2","173.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H34 N4 -","- C26 H34 N4 -","- C26 H34 N4 -","1","0.5","","Kubo, Kanji; Mori, Akira","PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units","Journal of Materials Chemistry","2005","15","27-28","2902","","10.1039/b501361e","","","1.5419","CuKα","","","0.051","","","","0.154","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203739","10.573","0.003","10.677","0.003","15.007","0.004","90","","102.55","0.01","90","","1653.6","0.8","173.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N6 -","- C40 H36 N6 -","- C80 H72 N12 -","2","0.5","","Kubo, Kanji; Mori, Akira","PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units","Journal of Materials Chemistry","2005","15","27-28","2902","","10.1039/b501361e","","","1.5419","CuKα","","","0.036","","","","0.096","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203740","17.53","0.004","12.1","0.003","13.194","0.003","90","","115.43","0.01","90","","2527.5","1","173.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Cl4 N2 Zn -","- C24 H34 Cl4 N2 Zn -","- C96 H136 Cl16 N8 Zn4 -","4","0.5","","Kubo, Kanji; Mori, Akira","PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units","Journal of Materials Chemistry","2005","15","27-28","2902","","10.1039/b501361e","","","1.5419","CuKα","","","0.035","","","","0.095","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203741","10.283","0.002","14.73","0.003","12.818","0.002","90","","101.67","0.01","90","","1901.4","0.6","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl4 N6 Zn2 -","- C40 H36 Cl4 N6 Zn2 -","- C80 H72 Cl8 N12 Zn4 -","2","0.5","","Kubo, Kanji; Mori, Akira","PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units","Journal of Materials Chemistry","2005","15","27-28","2902","","10.1039/b501361e","","","1.5419","CuKα","","","0.044","","","","0.113","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203742","6.6875","0.0006","12.1818","0.0012","12.3924","0.0012","90","","90","","90","","1009.56","0.17","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Ganguly, Nemai C.; Datta, Mrityunjoy; Ghosh, Kumaresh; Bond, Andrew D.","Non-bonded O?S contacts and O?H?S hydrogen bonds in isomeric hydroxyphenyl-1,3-dithianes","CrystEngComm","2005","7","34","210","","10.1039/b501481f","","","0.71073","MoKα","","0.0233","0.022","","","0.058","0.0585","","","","","","1.089","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203743","14.5782","0.0007","5.4156","0.0003","13.0424","0.0007","90","","104.479","0.001","90","","996.99","0.09","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Ganguly, Nemai C.; Datta, Mrityunjoy; Ghosh, Kumaresh; Bond, Andrew D.","Non-bonded O?S contacts and O?H?S hydrogen bonds in isomeric hydroxyphenyl-1,3-dithianes","CrystEngComm","2005","7","34","210","","10.1039/b501481f","","","0.71073","MoKα","","0.0359","0.0306","","","0.0815","0.084","","","","","","1.064","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203744","8.5479","0.0008","15.9729","0.0014","9.6655","0.0008","90","","110.722","0.002","90","","1234.3","0.19","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","binicotinic acid dihydrate","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.04","0.0368","","","0.1054","0.1092","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203745","10.665","0.006","6.222","0.003","11.579","0.006","90","","116.74","0.009","90","","686.2","0.6","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","binicotinic acid hydrochloride dihydrate","","","- C12 H13 Cl N2 O6 -","- C12 H13 Cl N2 O6 -","- C24 H26 Cl2 N4 O12 -","2","0.5","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.0517","0.0471","","","0.1202","0.1229","","","","","","1.166","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203746","12.9485","0.0018","5.9793","0.0008","8.6189","0.0012","90","","96.16","0.002","90","","663.45","0.16","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","binicotinic acid dihydrochloride","","","- C12 H10 Cl2 N2 O4 -","- C12 H10 Cl2 N2 O4 -","- C24 H20 Cl4 N4 O8 -","2","0.5","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.0243","0.0242","","","0.0636","0.0637","","","","","","1.07","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203747","19.056","0.002","7.536","0.001","13.524","0.001","90","","90","","90","","1942.1","0.4","293","2","293","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C11 H9 O S -","- C11 H9 O S -","- C88 H72 O8 S8 -","8","1","","Leriche, Philippe; Frère, Pierre; Roncali, Jean","Structure‒reactivity relationships in bithiophenic precursors based on the 3-phenoxythiophene building block","Journal of Materials Chemistry","2005","15","34","3473","","10.1039/b502164b","","x-ray","0.71073","MoKα","","0.0776","0.0461","","","0.1163","0.129","","","","","","0.971","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203748","11.9649","0.0009","16.5185","0.0012","20.8305","0.0016","90","","90.886","0.001","90","","4116.5","0.5","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H160 N8 O52 Si8 -","- C38 H106 N8 O52 Si8 -","- C76 H212 N16 O104 Si16 -","2","0.5","","Asuncion, M. Z.; Hasegawa, I.; Kampf, J. W.; Laine, R. M.","The selective dissolution of rice hull ash to form [OSiO1.5]8[R4N]8(R = Me, CH2CH2OH) octasilicates. Basic nanobuilding blocks and possible models of intermediates formed during biosilicification processes","Journal of Materials Chemistry","2005","15","21","2114","","10.1039/b502178b","","","0.71073","MoKα","","0.0973","0.0676","","","0.2122","0.2294","","","","","","1.095","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203749","10.815","0.002","9.4999","0.0019","35.478","0.007","90","","90","","90","","3645.1","1.2","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-dihydrate-methanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- dihydrate-methanol","","- C41 H41 Ag N2 O7 -","- C41 H41 Ag N2 O7 -","- C164 H164 Ag4 N8 O28 -","4","1","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.0669","0.0368","","","0.064","0.0707","","","","","","0.935","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203750","24.024","0.006","10.689","0.002","10.982","0.002","90","","108.657","0.004","90","","2671.9","1","243","2","243","2","","","","","","","","5","C 1 2 1","C 2y","5","(tetraammine-kappa$2!O,O'-((S)-1,1'-bi-2-naphtholate(2- ))cadmium(ii))-bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)","[tetraammine-κ^2^O,O'-((S)-1,1'-bi-2-naphtholate(2-))cadmium(II)]- bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)","","- C62 H62 Cd N4 O9 -","- C62 H62 Cd N4 O9 -","- C124 H124 Cd2 N8 O18 -","2","0.5","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.0308","0.0269","","","0.0454","0.0467","","","","","","0.93","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203751","9.373","0.003","10.796","0.003","18.074","0.005","78.215","0.005","81.104","0.005","89.636","0.005","1768.2","0.9","243","2","243","2","","","","","","","","5","P 1","P 1","1","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol","","- C42 H39 Ag N2 O5 -","- C42 H39 Ag N2 O5 -","- C84 H78 Ag2 N4 O10 -","2","2","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.1471","0.0594","","","0.1082","0.1335","","","","","","0.883","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203752","9.3931","0.0016","10.8023","0.0018","18.105","0.003","78.274","0.003","81.002","0.003","89.577","0.003","1776","0.5","243","2","243","2","","","","","","","","5","P 1","P 1","1","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol","","- C42 H39 Ag N2 O5 -","- C42 H39 Ag N2 O5 -","- C84 H78 Ag2 N4 O10 -","2","2","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.1041","0.0498","","","0.0667","0.0794","","","","","","0.924","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203753","17.856","0.002","20.231","0.002","7.0472","0.0007","90","","103.15","0.002","90","","2479","0.4","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5.75 H4.38 Cl2.5 Co0.75 N4.13 -","- C5 H3 Cl1.5 Co0.75 N4 -","- C40 H24 Cl12 Co6 N32 -","8","1","","Oxtoby, Neil S.; Champness, Neil R.; Wilson, Claire","Cobalt and cadmium coordination polymers formed with the multimodal ligand 3,6-di-pyrazin-2-yl-(1,2,4,5)-tetrazine","CrystEngComm","2005","7","46","284","","10.1039/b502209f","","","0.71073","MoKα","","0.0455","0.0359","","","0.0874","0.0894","","","","","","0.954","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203754","18.0112","0.0016","6.3741","0.0006","13.9426","0.0013","90","","109.359","0.002","90","","1510.2","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd(NO3)2(DPZTZ)","Cadmium (II) nitrate 3,6-Di-2-pyrazyl-1,2,4,5-tetrazine","","- C10 H6 Cd N10 O6 -","- C10 H6 Cd N10 O6 -","- C40 H24 Cd4 N40 O24 -","4","0.5","","Oxtoby, Neil S.; Champness, Neil R.; Wilson, Claire","Cobalt and cadmium coordination polymers formed with the multimodal ligand 3,6-di-pyrazin-2-yl-(1,2,4,5)-tetrazine","CrystEngComm","2005","7","46","284","","10.1039/b502209f","","","0.71073","MoKα","","0.0257","0.0208","","","0.046","0.0484","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203755","19.1098","0.0008","19.1098","0.0008","10.2052","0.0006","90","","90","","120","","3227.5","0.3","90","2","90","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","ca.02.b33.1","","","- C24 H21 O6 P -","- C24 H21 O6 P -","- C144 H126 O36 P6 -","6","0.333333","","Ablan, Christopher D.; Sheppard, Daniel; Beckman, Eric J.; Olmstead, Marilyn M.; Jessop, Philip G.","Solubility of several analogues of triphenylphosphine in carbon dioxide","Green Chemistry","2005","7","8","590","","10.1039/b502442k","","","0.71073","MoKα","","0.0421","0.0399","","","0.1046","0.1066","","","","","","1.067","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203756","29.649","0.006","21.016","0.004","12.252","0.003","90","","92.14","0.03","90","","7629","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C76 H44 N18 O0.96 Zn2 -","- C76 H44 N18 O0.961 Zn2 -","- C304 H176 N72 O3.844 Zn8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.1197","0.0818","","","0.205","0.2265","","","","","","0.951","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203757","10.886","0.002","12.317","0.003","14.535","0.003","65.05","0.03","76.62","0.03","70.07","0.03","1652.4","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H56 N20 O2 Zn2 -","- C82 H56 N20 O2 Zn2 -","- C82 H56 N20 O2 Zn2 -","1","0.5","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.0643","0.043","","","0.1011","0.1089","","","","","","0.904","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203758","9.2854","0.0019","20.135","0.004","18.572","0.004","90","","90.15","0.03","90","","3472.2","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H30 N10 Zn -","- C45 H30 N10 Zn -","- C180 H120 N40 Zn4 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.1505","0.0872","","","0.2524","0.2878","","","","","","1.06","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203759","14.169","0.0008","6.451","0.0004","15.238","0.0011","90","","110.614","0.002","90","","1303.64","0.15","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,5-dicyano-2,7-dinitrofluorenone","","","- C15 H4 N4 O5 -","- C15 H4 N4 O5 -","- C60 H16 N16 O20 -","4","1","","Sévignon, Marc; Macaud, Mathieu; Favre-Réguillon, Alain; Schulz, Jürgen; Rocault, Muriel; Faure, René; Vrinat, Michel; Lemaire, Marc","Ultra-deep desulfurization of transportation fuels via charge-transfer complexes under ambient conditions","Green Chemistry","2005","7","6","413","","10.1039/b502672e","","","0.7107","MoKα","","0.0906","0.054","","","0.1332","0.1553","","","","","","1.042","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203760","7.731","0.0004","15.143","0.0009","21.152","0.0014","90","","98.189","0.002","90","","2451","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H16 N4 O5 S -","- C29 H16 N4 O5 S -","- C116 H64 N16 O20 S4 -","4","1","","Sévignon, Marc; Macaud, Mathieu; Favre-Réguillon, Alain; Schulz, Jürgen; Rocault, Muriel; Faure, René; Vrinat, Michel; Lemaire, Marc","Ultra-deep desulfurization of transportation fuels via charge-transfer complexes under ambient conditions","Green Chemistry","2005","7","6","413","","10.1039/b502672e","","","0.7107","MoKα","","0.1471","0.0677","","","0.1599","0.2079","","","","","","0.986","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203761","10.366","0.0002","16.072","0.0005","8.312","0.0002","90","","103.372","0.0018","90","","1347.26","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,5-dibromo-2,7-dinitrofluorenone","","","- C13 H4 Br2 N2 O5 -","- C13 H4 Br2 N2 O5 -","- C52 H16 Br8 N8 O20 -","4","1","","Sévignon, Marc; Macaud, Mathieu; Favre-Réguillon, Alain; Schulz, Jürgen; Rocault, Muriel; Faure, René; Vrinat, Michel; Lemaire, Marc","Ultra-deep desulfurization of transportation fuels via charge-transfer complexes under ambient conditions","Green Chemistry","2005","7","6","413","","10.1039/b502672e","","","0.7107","MoKα","","0.1155","0.0631","","","0.1283","0.144","","","","","","1.064","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203762","13.9176","0.0001","13.9176","0.0001","13.9176","0.0001","90","","90","","90","","2695.83","0.03","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C H4 Cl In0.33 N2 O -","- C H4 Cl In0.333333 N2 O -","- C24 H96 Cl24 In8 N48 O24 -","24","1","","Sardar, Kripasindhu; Dan, Meenakshi; Schwenzer, Birgit; Rao, C. N. R.","A simple single-source precursor route to the nanostructures of AlN, GaN and InN","Journal of Materials Chemistry","2005","15","22","2175","","10.1039/b502887f","","","0.71073","MoKα","","0.0245","0.0227","","0.0574","0.0568","","","","1.255","1.288","1.288","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203763","16.495","0.007","16.495","0.007","14.697","0.008","90","","90","","120","","3463","3","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C1.5 H6 Cl0.75 Ga0.25 N3 O1.5 -","- C1.5 H6 Cl0.75 Ga0.25 N3 O1.5 -","- C36 H144 Cl18 Ga6 N72 O36 -","24","2","","Sardar, Kripasindhu; Dan, Meenakshi; Schwenzer, Birgit; Rao, C. N. R.","A simple single-source precursor route to the nanostructures of AlN, GaN and InN","Journal of Materials Chemistry","2005","15","22","2175","","10.1039/b502887f","","","0.71073","MoKα","","0.1613","0.0613","","0.1555","0.1212","","","","1.017","1.198","1.198","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203764","5.254","0.003","14.407","0.004","16.82","0.003","112.813","0.004","90.92","0.04","99.08","0.07","1154.7","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H64 N2 O6 -","- C54 H64 N2 O6 -","- C54 H64 N2 O6 -","1","0.5","","Dautel, Olivier J.; Wantz, Guillaume; Flot, David; Lere-Porte, Jean-Pierre; Moreau, Joël J. E.; Parneix, Jean-Paul; Serein-Spirau, Françoise; Vignau, Laurence","Confined photoactive substructures on a chiral scaffold: the design of an electroluminescent polyimide as material for PLED**","Journal of Materials Chemistry","2005","15","41","4446","","10.1039/b503284a","","x-ray","0.7305","","","0.0691","0.0658","","","0.1746","0.1796","","","","","","0.982","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203765","15.754","0.004","26.877","0.007","19.244","0.005","90","","90.065","0.004","90","","8148","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 Co2 N16 O7 S4 -","- C82 H74 Co2 N16 O7 S4 -","- C328 H296 Co8 N64 O28 S16 -","4","1","","Halder, Gregory J.; Neville, Suzanne M.; Kepert, Cameron J.","A highly distorted (10,3)-a coordination framework constructed from alternating T-shaped and trigonal nodes","CrystEngComm","2005","7","42","266","","10.1039/b503352g","","","0.71073","MoKα","","0.0665","0.0543","","","0.1389","0.151","","","","","","1.063","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203766","15.772","0.005","26.984","0.008","19.254","0.006","90","","90.019","0.005","90","","8194","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 Fe2 N16 O7 S4 -","- C82 H74 Fe2 N16 O7 S4 -","- C328 H296 Fe8 N64 O28 S16 -","4","1","","Halder, Gregory J.; Neville, Suzanne M.; Kepert, Cameron J.","A highly distorted (10,3)-a coordination framework constructed from alternating T-shaped and trigonal nodes","CrystEngComm","2005","7","42","266","","10.1039/b503352g","","x-ray","0.71073","MoKα","","0.1089","0.0577","","","0.1278","0.1608","","","","","","1.037","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203767","9.7347","0.0007","9.7347","","7.2531","0.0006","90","","90","","120","","595.25","0.07","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- La1.33 O4.33 Si Sr0.33 -","- La1.33333 O4.33353 Si Sr0.333333 -","- La8 O26.0012 Si6 Sr2 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.11","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203768","9.77167","0.00028","9.77167","","7.21223","0.00021","90","","90","","120","","596.4","0.02","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La1.56 O4.33 Si -","- La1.56067 O4.33313 Si -","- La9.364 O25.9988 Si6 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.95","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203769","9.8527","0.0017","9.8527","","7.2714","0.0013","90","","90","","120","","611.31","0.15","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ge0.5 La1.56 O4.33 Si0.5 -","- Ge0.5 La1.55533 O4.3334 Si0.5 -","- Ge3 La9.332 O26.0004 Si3 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.98","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203770","9.9422","0.0006","9.9422","","7.3358","0.0004","90","","90","","120","","627.98","0.05","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ge La1.33 O4.33 Sr0.33 -","- Ge La1.33333 O4.3334 Sr0.333333 -","- Ge6 La8 O26.0004 Sr2 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.4","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203771","9.81164","0.00032","9.81164","","7.23354","0.00024","90","","90","","120","","603.07","0.03","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La1.56 O4.35 Si -","- La1.56067 O4.35473 Si -","- La9.364 O26.1284 Si6 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.71","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203772","9.91268","0.00012","9.91268","","7.31937","0.0001","90","","90","","120","","622.854","0.011","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ge La1.33 O4.33 Sr0.33 -","- Ge La1.33333 O4.33327 Sr0.333333 -","- Ge6 La8 O25.9996 Sr2 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.75","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203773","9.8335","0.0004","9.8335","","7.25285","0.00032","90","","90","","120","","607.37","0.04","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ge0.5 La1.56 O4.33 Si0.5 -","- Ge0.5 La1.55533 O4.33327 Si0.5 -","- Ge3 La9.332 O25.9996 Si3 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","2.06","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203774","9.728","0.006","9.728","","7.19","0.004","90","","90","","120","","589.3","0.5","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La1.55 O4.33 Si -","- La1.55467 O4.33347 Si -","- La9.328 O26.0008 Si6 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","129.07","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203775","9.71191","0.00008","9.71191","","7.23956","0.00007","90","","90","","120","","591.36","0.008","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- La1.33 O4.33 Si Sr0.33 -","- La1.33333 O4.33353 Si Sr0.333333 -","- La8 O26.0012 Si6 Sr2 -","6","0.5","","León-Reina, Laura; Losilla, Enrique R.; Martínez-Lara, Maria; Bruque, Sebastián; Llobet, Anna; Sheptyakov, Denis V.; Aranda, Miguel A. G.","Interstitial oxygen in oxygen-stoichiometric apatites","Journal of Materials Chemistry","2005","15","25","2489","","10.1039/b503374h","powder diffraction","","","","","","","","","","","","","1.7","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203776","7.811","0.003","11.056","0.002","8.938","0.001","90","","98.02","0.02","90","","764.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C28 H28 Cl4 N8 Zn2 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0738","0.0353","","","0.0725","0.0809","","","","","","1.035","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203777","7.6924","0.0006","10.9917","0.0008","8.9403","0.0007","90","","97.213","0.001","90","","749.94","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C28 H28 Cl4 N8 Zn2 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0223","0.0222","","","0.0578","0.0579","","","","","","1.081","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203778","7.701","0.003","10.977","0.002","8.943","0.005","90","","97.15","0.02","90","","750.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 Co N4 -","- C14 H14 Cl2 Co N4 -","- C28 H28 Cl4 Co2 N8 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0292","0.0286","","","0.0712","0.0716","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203779","8.989","0.0012","9.8015","0.0013","11.403","0.002","112.076","0.002","94.424","0.002","108.021","0.002","863.8","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 N2 Ni O4 P2 S4 -","- C34 H32 N2 Ni O4 P2 S4 -","- C34 H32 N2 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0567","0.037","","","0.0814","0.0908","","","","","","1.072","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203780","7.4357","0.001","9.7115","0.0013","12.026","0.002","70.913","0.002","81.101","0.002","80.143","0.002","804","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 N6 Ni O4 P2 S4 -","- C28 H28 N6 Ni O4 P2 S4 -","- C28 H28 N6 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0329","0.0293","","","0.0719","0.0743","","","","","","0.986","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203781","6.9179","0.0009","10.7325","0.0014","12.898","0.002","66.496","0.002","86.813","0.002","89.574","0.002","876.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 N6 Ni O4 P2 S4 -","- C30 H32 N6 Ni O4 P2 S4 -","- C30 H32 N6 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0563","0.0374","","","0.0906","0.1007","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203782","16.113","0.003","4.2049","0.0009","28.34","0.006","90","","90","","90","","1920.1","0.7","150","2","150","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C10 H10 Au Br4 Cl I2 N2 -","- C10 H10 Au Br3.654 Cl1.346 I2 N2 -","- C40 H40 Au4 Br14.616 Cl5.384 I8 N8 -","4","0.5","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0915","0.0476","","","0.1134","0.1343","","","","","","1.034","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203783","14.5518","0.0011","13.7363","0.001","14.6547","0.001","90","","92.389","0.001","90","","2926.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl12 Fe2 N3 -","- C15 H15 Cl12 Fe2 N3 -","- C60 H60 Cl48 Fe8 N12 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0426","0.0324","","","0.0843","0.089","","","","","","1.031","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203784","14.583","0.011","13.96","0.01","14.695","0.011","90","","91.716","0.014","90","","2990","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br3 Cl9 Fe2 N3 -","- C15 H15 Br3 Cl9 Fe2 N3 -","- C60 H60 Br12 Cl36 Fe8 N12 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.1413","0.0712","","","0.1691","0.2075","","","","","","0.909","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203785","9.894","0.002","21.852","0.004","11.64","0.002","90","","98.807","0.003","90","","2486.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl10 N3 Pt -","- C15 H15 Cl10 N3 Pt -","- C60 H60 Cl40 N12 Pt4 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0502","0.0405","","","0.1259","0.1321","","","","","","1.086","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203786","16.5249","0.0019","5.6048","0.0006","17.472","0.002","90","","99.608","0.002","90","","1595.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[4,5-Bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-(4-nitrophenyl)propyne","","- C16 H11 N O6 S2 -","- C16 H11 N O6 S2 -","- C64 H44 N4 O24 S8 -","4","1","","Nielsen, Mogens Brøndsted; Petersen, Jan Conrad; Thorup, Niels; Jessing, Mikkel; Andersson, Asbjørn Sune; Jepsen, Anne Sofie; Gisselbrecht, Jean-Paul; Boudon, Corinne; Gross, Maurice","Acetylenic dithiafulvene derived donor‒π‒acceptor dyads: synthesis, electrochemistry and non-linear optical properties","Journal of Materials Chemistry","2005","15","26","2599","","10.1039/b504124d","","","0.71073","MoKα","","0.0834","0.042","","","0.083","0.0959","","","","","","0.971","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203787","21.1806","0.0015","21.1806","0.0015","5.6912","0.0006","90","","90","","120","","2211.1","0.3","100","2","100","2","","","","","","","","5","P 62","P 62","171","","","","- C12 H22 N Na O6 -","- C12 H22 N Na O6 -","- C72 H132 N6 Na6 O36 -","6","1","","Godinez-Salomon, Fernando; Hallen-Lopez, Jose M.; Höpfl, Herbert; Morales-Pacheco, Adela; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.","Strecker intermediates as non-pollutant scavengers for cyanides","Green Chemistry","2005","7","10","716","","10.1039/b504406e","","","0.71073","MoKα","","0.0538","0.0533","","","0.1293","0.1297","","","","","","1.129","","","","has coordinates","288181","2023-12-08","12:50:43",""
"7203788","9.8105","0.0002","9.9054","0.0002","17.7854","0.0002","90","","101.771","0.001","90","","1691.99","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cd N2 O5 -","- C18 H12 Cd N2 O5 -","- C72 H48 Cd4 N8 O20 -","4","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0356","0.0257","","","0.0651","0.0689","","","","","","1.019","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203789","10.4092","0.0002","19.7245","0.0005","8.4632","0.0002","90","","90","","90","","1737.63","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H14 Cd N2 O5 -","- C18 H14 Cd N2 O5 -","- C72 H56 Cd4 N8 O20 -","4","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0169","0.016","","","0.0369","0.0372","","","","","","1.083","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203790","22.1574","0.0004","10.1982","0.0002","30.7709","0.0002","90","","102.36","0.001","90","","6792","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cd2 N4 O9 -","- C40 H24 Cd2 N4 O9 -","- C320 H192 Cd16 N32 O72 -","8","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0372","0.0267","","","0.0611","0.0655","","","","","","1.068","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203791","9.643","","8.9796","0.0001","21.4183","0.0003","90","","90.759","0.001","90","","1854.45","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O6 Zn -","- C20 H16 N2 O6 Zn -","- C80 H64 N8 O24 Zn4 -","4","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0306","0.0261","","","0.0701","0.0722","","","","","","1.045","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203792","6.5021","0.0001","6.9509","0.0002","18.3199","0.0001","90","","90","","90","","827.98","0.03","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C4 H2.5 Cd0.5 O2.5 -","- C4 H2 Cd0.5 O2.5 -","- C32 H16 Cd4 O20 -","8","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0253","0.0221","","","0.061","0.0626","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203793","10.4883","0.0002","13.1483","0.0001","13.1207","0.0002","90","","106.653","0.001","90","","1733.5","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Cd N2 O4.5 -","- C20 H12 Cd N2 O4.5 -","- C80 H48 Cd4 N8 O18 -","4","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0392","0.0276","","","0.0621","0.0665","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203794","9.1213","0.0006","9.1213","0.0006","7.1103","0.0009","90","","90","","120","","512.31","0.08","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H15 N6 P S -","- C3 H15 N6 P S -","- C6 H30 N12 P2 S2 -","2","0.333333","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran","A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}","CrystEngComm","2005","7","56","346","","10.1039/b504753f","","","0.71073","MoKα","","0.0215","0.0213","","","0.0554","0.0555","","","","","","1.074","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203795","13.226","0.003","9.956","0.002","13.349","0.003","90","","90","","90","","1757.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H15 N6 O P -","- C3 H15 N6 O P -","- C24 H120 N48 O8 P8 -","8","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran","A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}","CrystEngComm","2005","7","56","346","","10.1039/b504753f","","","0.71073","MoKα","","0.0378","0.0345","","","0.0931","0.0954","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203796","10.0665","0.0004","16.6372","0.0007","10.5634","0.0003","90","","107.793","0.002","90","","1684.52","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cl2 O -","- C20 H16 Cl2 O -","- C80 H64 Cl8 O4 -","4","1","","Zhang, Lijun; Wang, Shaowu; Sheng, Enhong; Zhou, Shuangliu","A solvent-free synthesis of α,α′-bis(substituted benzylidene) cycloalkanones catalyzed by lanthanide amides [(Me3Si)2N]3Ln(µ-Cl)Li(THF)3 under microwave irradiation","Green Chemistry","2005","7","9","683","","10.1039/b504890g","","","0.71073","MoKα","","0.0967","0.0707","","","0.1275","0.142","","","","","","1.187","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203797","11.4009","0.0007","15.0341","0.0009","22.2413","0.0013","90","","90","","90","","3812.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C160 H248 N8 O16 -","8","2","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0376","0.0344","","","0.0959","0.1001","","","","","","1.114","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203798","9.2246","0.001","10.591","0.0012","10.7338","0.0011","101.767","0.002","113.837","0.002","90.137","0.002","934.84","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C40 H62 N2 O4 -","2","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0418","0.0383","","","0.1063","0.1104","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203799","27.352","0.002","8.2035","0.0006","19.4855","0.0014","90","","115.82","0.001","90","","3935.7","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C168 H240 N16 O32 -","8","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0373","0.0349","","","0.0941","0.0962","","","","","","1.059","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203800","12.5764","0.0013","12.8644","0.0013","12.9625","0.0013","90","","115.3","0.002","90","","1896","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C76 H112 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0379","0.0347","","","0.0956","0.0985","","","","","","1.037","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203801","20.7738","0.0015","10.2812","0.0007","35.61","0.003","90","","93.481","0.001","90","","7591.5","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H56 N4 O8 -","- C38 H56 N4 O8 -","- C304 H448 N32 O64 -","8","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0465","0.0407","","","0.1043","0.1092","","","","","","1.021","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203802","20.2474","0.0014","9.7893","0.0007","20.59","0.0014","90","","108.21","0.001","90","","3876.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 N4 O8 -","- C38 H56 N4 O8 -","- C152 H224 N16 O32 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0456","0.0397","","","0.1053","0.1107","","","","","","1.041","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203803","5.7589","0.0008","18.08","0.003","20.055","0.003","90","","90","","90","","2088.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C84 H120 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.1238","0.0613","","","0.0958","0.1102","","","","","","0.945","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203804","5.698","0.002","12.825","0.005","15.492","0.006","105.226","0.006","96.024","0.006","96.465","0.006","1074.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Br N O2 -","- C21 H30 Br N O2 -","- C42 H60 Br2 N2 O4 -","2","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0798","0.0496","","","0.1298","0.1425","","","","","","1.056","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203805","32.8784","0.0002","9.628","0.0004","26.7125","0.0008","90","","98.853","0.002","90","","8355.2","0.4","233","2","233","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H28 Cu3 N12 S24 Se12 -","- C64 H28 Cu3 N12 S24 Se12 -","- C256 H112 Cu12 N48 S96 Se48 -","4","1","","Dias, João C.; Ribas, Xavi; Morgado, Jorge; Seiça, João; Lopes, Elsa B.; Santos, Isabel C.; Henriques, Rui T.; Almeida, Manuel; Wurst, Klaus; Foury-Leylekian, Pascale; Canadell, Enric; Vidal-Gancedo, José; Veciana, Jaume; Rovira, Concepció","Multistability in a family of DT‒TTF organic radical based compounds (DT‒TTF)4[M(L)2]3 (M = Au, Cu; L = pds, pdt, bdt)","Journal of Materials Chemistry","2005","15","31","3187","","10.1039/b505724h","","","0.71073","MoKα","","0.0764","0.0496","","","0.0888","0.0966","","","","","","1.023","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203806","32.5313","0.0002","9.4923","0.0004","26.3669","0.0007","90","","99.166","0.002","90","","8038.1","0.4","233","2","233","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C64 H28 Cu3 N12 S36 -","- C64 H28 Cu3 N12 S36 -","- C256 H112 Cu12 N48 S144 -","4","1","","Dias, João C.; Ribas, Xavi; Morgado, Jorge; Seiça, João; Lopes, Elsa B.; Santos, Isabel C.; Henriques, Rui T.; Almeida, Manuel; Wurst, Klaus; Foury-Leylekian, Pascale; Canadell, Enric; Vidal-Gancedo, José; Veciana, Jaume; Rovira, Concepció","Multistability in a family of DT‒TTF organic radical based compounds (DT‒TTF)4[M(L)2]3 (M = Au, Cu; L = pds, pdt, bdt)","Journal of Materials Chemistry","2005","15","31","3187","","10.1039/b505724h","","","0.71073","MoKα","","0.0656","0.0418","","","0.0761","0.0826","","","","","","1.023","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203807","11.8136","0.0004","10.5663","0.0003","18.5831","0.00007","90","","101.834","0.002","90","","2270.35","0.1","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 Cu N4 S10 -","- C18 H8 Cu N4 S10 -","- C72 H32 Cu4 N16 S40 -","4","1","","Dias, João C.; Ribas, Xavi; Morgado, Jorge; Seiça, João; Lopes, Elsa B.; Santos, Isabel C.; Henriques, Rui T.; Almeida, Manuel; Wurst, Klaus; Foury-Leylekian, Pascale; Canadell, Enric; Vidal-Gancedo, José; Veciana, Jaume; Rovira, Concepció","Multistability in a family of DT‒TTF organic radical based compounds (DT‒TTF)4[M(L)2]3 (M = Au, Cu; L = pds, pdt, bdt)","Journal of Materials Chemistry","2005","15","31","3187","","10.1039/b505724h","","","0.71073","MoKα","","0.0657","0.0508","","","0.1252","0.13","","","","","","1.105","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203808","4.03153","0.00004","4.03153","0.00004","9.01136","0.00013","90","","90","","90","","146.464","0.003","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- F P Sr Zn -","- F P Sr Zn -","- F2 P2 Sr2 Zn2 -","2","0.125","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","2.6334","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203809","5.7978","","5.7978","","5.7978","","90","","90","","90","","194.89","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","?","- F8.00192 Sr4 -","- F8.00192 Sr4 -","","","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","6.9955","","","","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203810","4.10077","","4.10077","","7.09933","","90","","90","","120","","103.39","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","?","- P2.00012 Sr Zn2.00012 -","- P2.00012 Sr Zn2.00012 -","","","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","6.3285","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203811","9.71816","","9.71816","","7.28267","","90","","90","","120","","595.648","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","?","- F2.00006 O24.0002 P6.00006 Sr10.0001 -","- F2.00006 O24.0002 P6.00006 Sr10.0001 -","","","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","9.8973","","","","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203812","4.15634","0.00003","4.15634","0.00003","9.45743","0.00009","90","","90","","90","","163.379","0.002","","","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ba F P Zn -","- Ba F P Zn -","- Ba2 F2 P2 Zn2 -","2","0.125","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-rayCuKα","","","","","","","","","2.0518","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203813","4.43835","0.00005","4.43835","0.00005","9.77891","0.00014","90","","90","","90","","192.634","0.004","","","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ba F Sb Zn -","- Ba F Sb Zn -","- Ba2 F2 Sb2 Zn2 -","2","0.125","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-rayCuKα","","","","","","","","","3.1914","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203814","6.20144","","6.20144","","6.20144","","90","","90","","90","","238.494","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","?","- Ba4 F8.00192 -","- Ba4 F8.00192 -","","","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","14.8398","","","","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203815","4.33653","","4.33653","","11.10471","","90","","90","","120","","180.852","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","?","- Sb6 -","- Sb6 -","","","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","19.0505","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203816","4.17927","0.00009","4.17927","0.00009","9.504","0.0002","90","","90","","90","","166","0.006","","","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ba F Mn P -","- Ba F Mn P -","- Ba2 F2 Mn2 P2 -","2","0.125","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-rayCuKα","","","","","","","","","3.3803","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203817","6.19126","","6.19126","","6.19126","","90","","90","","90","","237.322","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","?","- Ba4 F8 -","- Ba4 F8 -","","","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","16.0453","","","","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203818","7.0447","0.0009","34.734","0.003","7.622","0.001","90","","105.98","0.003","90","","1793","0.4","296.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H6 Cl2 Fe0.5 S7 -","- C13 H6 Cl2 Fe0.5 S7 -","- C52 H24 Cl8 Fe2 S28 -","4","1","","Hiraoka, Takashi; Kamada, Yohsuke; Matsumoto, Takuya; Fujiwara, Hideki; Sugimoto, Toyonari; Noguchi, Satoru; Ishida, Takekazu; Nakazumi, Hiroyuki; Katori, Hiroko Aruga","Metallic/semiconducting behaviors and an antiferromagnetic ordering of FeBr4‒d spins in (Benzo-TTFVS)2·MX4 (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2005","15","34","3479","","10.1039/b506725a","","","0.7107","MoKα","","","0.042","","","","0.024","","","","","","1.544","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203819","7.063","0.001","34.578","0.007","7.607","0.002","90","","106.17","0.01","90","","1784.3","0.7","296.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H6 Cl2 Ga0.5 S7 -","- C13 H6 Cl2 Ga0.5 S7 -","- C52 H24 Cl8 Ga2 S28 -","4","1","","Hiraoka, Takashi; Kamada, Yohsuke; Matsumoto, Takuya; Fujiwara, Hideki; Sugimoto, Toyonari; Noguchi, Satoru; Ishida, Takekazu; Nakazumi, Hiroyuki; Katori, Hiroko Aruga","Metallic/semiconducting behaviors and an antiferromagnetic ordering of FeBr4‒d spins in (Benzo-TTFVS)2·MX4 (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2005","15","34","3479","","10.1039/b506725a","","","0.7107","MoKα","","","0.046","","","","0.027","","","","","","1.94","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203820","7.063","0.003","35.514","0.012","7.661","0.003","90","0.0011","105.673","0.001","90","0.0011","1850.2","1.2","298.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H6 Br2 Fe0.5 S7 -","- C13 H6 Br2 Fe0.5 S7 -","- C52 H24 Br8 Fe2 S28 -","4","1","","Hiraoka, Takashi; Kamada, Yohsuke; Matsumoto, Takuya; Fujiwara, Hideki; Sugimoto, Toyonari; Noguchi, Satoru; Ishida, Takekazu; Nakazumi, Hiroyuki; Katori, Hiroko Aruga","Metallic/semiconducting behaviors and an antiferromagnetic ordering of FeBr4‒d spins in (Benzo-TTFVS)2·MX4 (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2005","15","34","3479","","10.1039/b506725a","","","0.7107","MoKα","","","0.05","","","","0.042","","","","","","2.293","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203821","7.073","0.002","35.602","0.007","7.661","0.002","90","0.0008","106.062","0.001","90","0.0008","1853.8","0.8","298.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H6 Br2 Ga0.5 S7 -","- C13 H6 Br2 Ga0.5 S7 -","- C52 H24 Br8 Ga2 S28 -","4","1","","Hiraoka, Takashi; Kamada, Yohsuke; Matsumoto, Takuya; Fujiwara, Hideki; Sugimoto, Toyonari; Noguchi, Satoru; Ishida, Takekazu; Nakazumi, Hiroyuki; Katori, Hiroko Aruga","Metallic/semiconducting behaviors and an antiferromagnetic ordering of FeBr4‒d spins in (Benzo-TTFVS)2·MX4 (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2005","15","34","3479","","10.1039/b506725a","","","0.7107","MoKα","","","0.043","","","","0.035","","","","","","2.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203822","17.398","0.003","17.398","0.003","8.0808","0.0016","90","","90","","90","","2446","0.8","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C24 H20 Cu N5 O3 -","- C24 H20 Cu N5 O3 -","- C96 H80 Cu4 N20 O12 -","4","0.5","","Pârvulescu, Andrei N.; Marin, Geanina; Suwinska, Kinga; Kravtsov, Victor Ch.; Andruh, Marius; Pârvulescu, Viorica; Pârvulescu, Vasile I.","A polynuclear complex, {[Cu(bpe)2](NO3)}, with interpenetrated diamondoid networks: synthesis, properties and catalytic behavior","Journal of Materials Chemistry","2005","15","39","4234","","10.1039/b506786c","","","0.71073","MoKα","","0.0794","0.0579","","","0.1698","0.185","","","","","","1.005","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203823","13.848","0.016","9.052","0.012","17.146","0.021","90","","114.32","0.01","90","","1959","4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H20 O2 -","- C26 H20 O2 -","- C104 H80 O8 -","4","1","","Pedro D. Vaz; Mariela Nolasco; Nelson Fonseca; Ana M. Amado; António M. Amorim da Costa; Vitor Félix; Michael G. B. Drew; Brian J. Goodfellow; Paulo J. A. Ribeiro-Claro","C-H...O hydrogen bonding in 4-phenyl-benzaldehyde: a comprehensive crystallographic, spectroscopic and computational study.","Physical chemistry chemical physics : PCCP","2005","7","16","3027","3034","10.1039/b506834g","","","0.71073","MoKα","","0.2263","0.1055","","","0.2608","0.3264","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203824","9.8","0.001","12.5617","0.0013","13.7551","0.0014","78.436","0.002","70.332","0.002","68.465","0.002","1477.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H98 Al2 La2 O14 -","- C42 H98 Al2 La2 O14 -","- C42 H98 Al2 La2 O14 -","1","0.5","","Manning, Troy D.; Loo, Yim Fun; Jones, Anthony C.; Aspinall, Helen C.; Chalker, Paul R.; Bickley, Jamie F.; Smith, Lesley M.; Critchlow, Gary W.","Deposition of LaAlO3 films by liquid injection MOCVD using a new [La‒Al] single source alkoxide precursor","Journal of Materials Chemistry","2005","15","33","3384","","10.1039/b507004j","","","0.71073","MoKα","","0.0848","0.078","","","0.1734","0.1757","","","","","","1.295","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203825","35.505","0.008","35.505","0.008","15.724","0.004","90","","90","","90","","19822","8","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C62 H138 N2 O28 S2 Sn12 -","- C62 H132 N2 O28 S2 Sn12 -","- C496 H1056 N16 O224 S16 Sn96 -","8","0.5","","Ribot, François; Veautier, Delphine; Guillaudeu, Steven J.; Lalot, Thierry","Poly[{(BuSn)12O14(OH)6}(AMPS)2] and poly[methyl acrylate-co-{(BuSn)12O14(OH)6}(AMPS)2]: hybrid polymers cross-linked through electrostatic interactions","Journal of Materials Chemistry","2005","15","35-36","3973","","10.1039/b507214j","","","0.71073","MoKα","","0.0822","0.0611","","","0.1205","0.1581","","","","","","0.983","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203826","17.283","0.0012","11.7794","0.0009","19.1659","0.0014","90","","116.194","0.001","90","","3501.2","0.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 N6 Y -","- C30 H63 N6 Y -","- C120 H252 N24 Y4 -","4","0.5","","Päiväsaari, Jani; Dezelah, IV, Charles L.; Back, Dwayne; El-Kaderi, Hani M.; Heeg, Mary Jane; Putkonen, Matti; Niinistö, Lauri; Winter, Charles H.","Synthesis, structure and properties of volatile lanthanide complexes containing amidinate ligands: application for Er2O3 thin film growth by atomic layer deposition","Journal of Materials Chemistry","2005","15","39","4224","","10.1039/b507351k","","","0.71073","MoKα","","0.1232","0.0636","","","0.1135","0.1333","","","","","","1.03","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203827","16.973","0.0006","11.8555","0.0004","19.0849","0.0007","90","","116.065","0.001","90","","3449.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 La N6 -","- C30 H63 La N6 -","- C120 H252 La4 N24 -","4","0.5","","Päiväsaari, Jani; Dezelah, IV, Charles L.; Back, Dwayne; El-Kaderi, Hani M.; Heeg, Mary Jane; Putkonen, Matti; Niinistö, Lauri; Winter, Charles H.","Synthesis, structure and properties of volatile lanthanide complexes containing amidinate ligands: application for Er2O3 thin film growth by atomic layer deposition","Journal of Materials Chemistry","2005","15","39","4224","","10.1039/b507351k","","","0.71073","MoKα","","0.0469","0.0434","","","0.1189","0.1201","","","","","","1.342","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203828","17.306","0.006","11.928","0.006","19.182","0.009","90","","115.953","0.011","90","","3560","3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 Ce N6 -","- C30 H63 Ce N6 -","- C120 H252 Ce4 N24 -","4","0.5","","Päiväsaari, Jani; Dezelah, IV, Charles L.; Back, Dwayne; El-Kaderi, Hani M.; Heeg, Mary Jane; Putkonen, Matti; Niinistö, Lauri; Winter, Charles H.","Synthesis, structure and properties of volatile lanthanide complexes containing amidinate ligands: application for Er2O3 thin film growth by atomic layer deposition","Journal of Materials Chemistry","2005","15","39","4224","","10.1039/b507351k","","","0.71073","MoKα","","0.0316","0.0207","","","0.0351","0.0361","","","","","","0.836","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203829","17.2186","0.0011","11.8892","0.0007","19.2018","0.0012","90","","116.588","0.001","90","","3515.2","0.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 N6 Nd -","- C30 H63 N6 Nd -","- C120 H252 N24 Nd4 -","4","0.5","","Päiväsaari, Jani; Dezelah, IV, Charles L.; Back, Dwayne; El-Kaderi, Hani M.; Heeg, Mary Jane; Putkonen, Matti; Niinistö, Lauri; Winter, Charles H.","Synthesis, structure and properties of volatile lanthanide complexes containing amidinate ligands: application for Er2O3 thin film growth by atomic layer deposition","Journal of Materials Chemistry","2005","15","39","4224","","10.1039/b507351k","","","0.71073","MoKα","","0.0319","0.0236","","","0.0495","0.0504","","","","","","0.941","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203830","17.1087","0.0015","11.7908","0.0015","19.078","0.002","90","","115.944","0.001","90","","3460.7","0.6","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 Eu N6 -","- C30 H63 Eu N6 -","- C120 H252 Eu4 N24 -","4","0.5","","Päiväsaari, Jani; Dezelah, IV, Charles L.; Back, Dwayne; El-Kaderi, Hani M.; Heeg, Mary Jane; Putkonen, Matti; Niinistö, Lauri; Winter, Charles H.","Synthesis, structure and properties of volatile lanthanide complexes containing amidinate ligands: application for Er2O3 thin film growth by atomic layer deposition","Journal of Materials Chemistry","2005","15","39","4224","","10.1039/b507351k","","","0.71073","MoKα","","0.1231","0.0761","","","0.1869","0.2082","","","","","","1.009","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203831","17.268","0.003","11.7545","0.0018","19.135","0.003","90","","116.107","0.002","90","","3487.7","1","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 Er N6 -","- C30 H63 Er N6 -","- C120 H252 Er4 N24 -","4","0.5","","Päiväsaari, Jani; Dezelah, IV, Charles L.; Back, Dwayne; El-Kaderi, Hani M.; Heeg, Mary Jane; Putkonen, Matti; Niinistö, Lauri; Winter, Charles H.","Synthesis, structure and properties of volatile lanthanide complexes containing amidinate ligands: application for Er2O3 thin film growth by atomic layer deposition","Journal of Materials Chemistry","2005","15","39","4224","","10.1039/b507351k","","","0.71073","MoKα","","0.0905","0.08","","","0.242","0.2457","","","","","","1.253","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203832","20.312","0.003","9.9902","0.0015","15.927","0.002","90","","108.289","0.002","90","","3068.7","0.8","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H12 N2 S2 -","- C17.997 H12 N2 S1.99925 -","- C143.976 H96 N16 S15.994 -","8","4","","Smith, Christopher B.; Raston, Colin L.; Sobolev, Alexandre N.","Poly(ethyleneglycol)(PEG): a versatile reaction medium in gaining access to 4′-(pyridyl)-terpyridines","Green Chemistry","2005","7","9","650","","10.1039/b507581p","","","0.71073","MoKα","","0.0886","0.0738","","","0.1835","0.1981","","","","","","1.029","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203833","6.8731","0.0004","14.3073","0.0008","22.1427","0.0012","90","","90.446","0.001","90","","2177.3","0.2","87","2","87","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetrazole triazole","","","- C5 H8 N10 O4 -","- C5 H8 N10 O4 -","- C40 H64 N80 O32 -","8","2","","Hong Xue; Brendan Twamley; Jean'ne M. Shreeve","Energetic salts of substituted 1,2,4-triazolium and tetrazolium 3,5-dinitro-1,2,4-triazolates","Journal of Materials Chemistry","2005","15","34","3459","","10.1039/b507996a","","","0.71073","MoKα","","0.0845","0.0555","","","0.121","0.133","","","","","","1.061","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203834","6.584","0.003","5.827","0.002","9.948","0.004","90","","97.2312","0.0016","90","","378.6","0.3","93.15","","93.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C2 H12 F4 N2 O2 V -","- C2 H12 F4 N2 O2 V -","- C4 H24 F8 N4 O4 V2 -","2","1","","Stephens, Nicholas F.; Buck, Manfred; Lightfoot, Philip","Polar ordering of polar octahedra in [C2N2H10][VOF4(H2O)]","Journal of Materials Chemistry","2005","15","40","4298","","10.1039/b508959j","","","0.7107","MoKα","","0.0228","0.0223","","","0.0525","0.0527","","","","","","1.041","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203835","16.095","0.002","16.647","0.002","19.39","0.002","82.61","0.01","87.7","0.01","72.94","0.01","4925.4","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,7-Bis{5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl] -thien-2-yl}-9,9-dihexylfluorene","","- C57 H62 N4 O2 S2 -","- C57 H62 N4 O2 S2 -","- C228 H248 N16 O8 S8 -","4","2","","Oyston, Stephen; Wang, Changsheng; Perepichka, Igor F.; Batsanov, Andrei S.; Bryce, Martin R.; Ahn, Jin H.; Petty, Michael C.","Enhanced electron injection and efficiency in blended-layer organic light emitting diodes with aluminium cathodes: new 2,5-diaryl-1,3,4-oxadiazole‒fluorene hybrids incorporating pyridine units","Journal of Materials Chemistry","2005","15","48","5164","","10.1039/b510003h","","","0.71073","MoKα","","0.1468","0.0483","","","0.0814","0.0993","","","","","","0.719","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203836","5.6928","","7.733","","5.4179","","90","","90","","90","","238.509","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca Dy Mn O6 Sn -","- Ca Dy Mn O6 Sn -","- Ca2 Dy2 Mn2 O12 Sn2 -","2","0.25","","Abakumov, Artem M.; Rossell, Marta D.; Seryakov, Sergey A.; Rozova, Marina G.; Markina, Maria M.; Van Tendeloo, Gustaaf; Antipov, Evgeny V.","Synthesis and crystal structure of novel CaRMnSnO6(R = La, Pr, Nd, Sm‒Dy) double perovskites","Journal of Materials Chemistry","2005","15","46","4899","","10.1039/b510242a","powder diffraction","","1.5406","X-ray","","0.0415","0.0334","","","0.0171","0.0175","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203837","5.6701","","7.9022","","5.5545","","90","","90","","90","","248.876","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca La Mn O6 Sn -","- Ca La Mn O6 Sn -","- Ca2 La2 Mn2 O12 Sn2 -","2","0.25","","Abakumov, Artem M.; Rossell, Marta D.; Seryakov, Sergey A.; Rozova, Marina G.; Markina, Maria M.; Van Tendeloo, Gustaaf; Antipov, Evgeny V.","Synthesis and crystal structure of novel CaRMnSnO6(R = La, Pr, Nd, Sm‒Dy) double perovskites","Journal of Materials Chemistry","2005","15","46","4899","","10.1039/b510242a","powder diffraction","","1.5406","X-ray","","0.0422","0.0301","","","0.0133","0.0141","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203838","5.7186","","7.8408","","5.4918","","90","","90","","90","","246.244","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca Mn O6 Sm Sn -","- Ca Mn O6 Sm Sn -","- Ca2 Mn2 O12 Sm2 Sn2 -","2","0.25","","Abakumov, Artem M.; Rossell, Marta D.; Seryakov, Sergey A.; Rozova, Marina G.; Markina, Maria M.; Van Tendeloo, Gustaaf; Antipov, Evgeny V.","Synthesis and crystal structure of novel CaRMnSnO6(R = La, Pr, Nd, Sm‒Dy) double perovskites","Journal of Materials Chemistry","2005","15","46","4899","","10.1039/b510242a","powder diffraction","","1.5406","X-ray","","0.0362","0.0301","","","0.0119","0.0123","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203839","12.301","0.005","16.426","0.006","16.316","0.007","90","","99.026","0.009","90","","3256","2","155","2","155","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DBAT 1","","","- C36 H50 N2 S -","- C36.007 H50 N2 S -","- C144.028 H200 N8 S4 -","4","1","","Clot, Olivier; Selmarten, Don; McNevin, Michael J.","Synthesis and characterization of amino-capped oligothiophene-based hole-transport materials","Journal of Materials Chemistry","2005","15","46","4934","","10.1039/b510826h","","","0.71073","MoKα","","0.1388","0.0877","","","0.2232","0.2592","","","","","","1.036","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203840","12.0888","0.0006","12.1517","0.0007","12.8142","0.0006","84.414","0.001","73.161","0.001","87.552","0.002","1792.92","0.16","156","2","156","2","","","","","","","","4","P -1","-P 1","2","DBAT 2","","","- C40 H52 N2 S2 -","- C40.005 H52 N2 S2 -","- C80.01 H104 N4 S4 -","2","1","","Clot, Olivier; Selmarten, Don; McNevin, Michael J.","Synthesis and characterization of amino-capped oligothiophene-based hole-transport materials","Journal of Materials Chemistry","2005","15","46","4934","","10.1039/b510826h","","","0.71073","MoKα","","0.2211","0.1022","","","0.2708","0.3438","","","","","","1.01","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203841","9.9758","0.0007","7.6623","0.0003","12.8922","0.0009","90","","112.418","0.005","90","","910.97","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 O4 S5 -","- C18 H14 O4 S5 -","- C36 H28 O8 S10 -","2","1","","Spencer, Howard J.; Skabara, Peter J.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.","The first direct experimental comparison between the hugely contrasting properties of PEDOT and the all-sulfur analogue PEDTT by analogy with well-defined EDTT‒EDOT copolymers","Journal of Materials Chemistry","2005","15","45","4783","","10.1039/b511075k","","","0.71073","MoKα","","0.0294","0.0265","","","0.06","0.0615","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203842","8.1677","0.0013","8.4673","0.0015","27.674","0.005","90","","90","","90","","1913.9","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O2 S7 -","- C18 H14 O2 S7 -","- C72 H56 O8 S28 -","4","1","","Spencer, Howard J.; Skabara, Peter J.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.","The first direct experimental comparison between the hugely contrasting properties of PEDOT and the all-sulfur analogue PEDTT by analogy with well-defined EDTT‒EDOT copolymers","Journal of Materials Chemistry","2005","15","45","4783","","10.1039/b511075k","","","0.71073","MoKα","","0.0986","0.071","","","0.1402","0.1501","","","","","","1.124","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203843","7.281","0.003","7.93","0.003","14.519","0.005","79.806","0.008","89.564","0.009","65.582","0.007","749.3","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 Sb Se8 -","- C20 H20 F6 O4 Sb Se8 -","- C20 H20 F6 O4 Sb Se8 -","1","0.5","","Shirahata, Takashi; Kibune, Megumi; Imakubo, Tatsuro","New unsymmetrical donor dimethyl(ethylenedioxy)tetraselenafulvalene (DMEDO-TSeF): Structures and properties of its cation radical salts","Journal of Materials Chemistry","2005","15","41","4399","","10.1039/b511820d","","","0.71073","MoKα","","0.1074","0.0652","","","0.1442","0.159","","","","","","0.862","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203844","13.958","0.004","8.285","0.002","11.867","0.003","90","","109.478","0.006","90","","1293.8","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O2 Se4 -","- C10 H10 O2 Se4 -","- C40 H40 O8 Se16 -","4","1","","Shirahata, Takashi; Kibune, Megumi; Imakubo, Tatsuro","New unsymmetrical donor dimethyl(ethylenedioxy)tetraselenafulvalene (DMEDO-TSeF): Structures and properties of its cation radical salts","Journal of Materials Chemistry","2005","15","41","4399","","10.1039/b511820d","","","0.71073","MoKα","","0.079","0.0501","","","0.1262","0.1405","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203845","7.302","0.003","7.977","0.003","13.5","0.006","73.739","0.01","79.794","0.008","79.329","0.01","735.3","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 P Se8 -","- C20 H20 F6 O4 P Se8 -","- C20 H20 F6 O4 P Se8 -","1","0.5","","Shirahata, Takashi; Kibune, Megumi; Imakubo, Tatsuro","New unsymmetrical donor dimethyl(ethylenedioxy)tetraselenafulvalene (DMEDO-TSeF): Structures and properties of its cation radical salts","Journal of Materials Chemistry","2005","15","41","4399","","10.1039/b511820d","","","0.71073","MoKα","","0.0867","0.0504","","","0.1176","0.1305","","","","","","0.847","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203846","7.269","0.003","7.632","0.003","14.345","0.006","78.664","0.008","86.234","0.008","69.542","0.007","731.1","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 As F6 O4 Se8 -","- C20 H20 As F6 O4 Se8 -","- C20 H20 As F6 O4 Se8 -","1","0.5","","Shirahata, Takashi; Kibune, Megumi; Imakubo, Tatsuro","New unsymmetrical donor dimethyl(ethylenedioxy)tetraselenafulvalene (DMEDO-TSeF): Structures and properties of its cation radical salts","Journal of Materials Chemistry","2005","15","41","4399","","10.1039/b511820d","","","0.71073","MoKα","","0.0963","0.0718","","","0.1872","0.1986","","","","","","0.942","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203847","13.2971","0.0003","15.7128","0.0003","18.2835","0.0004","90","","106.925","0.0009","90","","3654.59","0.14","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Fe P2 Si -","- C42 H44 Fe P2 Si -","- C168 H176 Fe4 P8 Si4 -","4","1","","Miller, Catherine J.; O'Hare, Dermot","A new phosphine-functionalised [1]ferrocenophane and its use in the functionalisation of mesoporous silicas","Journal of Materials Chemistry","2005","15","47","5070","","10.1039/b513133b","","","0.71073","MoKα","","","0.0398","","","","0.0459","","","","","","1.0548","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206357","18.2426","0.0005","18.2426","0.0005","8.5167","0.0003","90","","90","","90","","2834.29","0.15","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41/a :2","-I 4ad","88","","","","- C29 H24 N4 O12 -","- C29 H24 N4 O12 -","- C116 H96 N16 O48 -","4","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers","CrystEngComm","2005","7","","158","160","10.1039/b500757g","","","1.54178","CuKα","","0.0684","0.0534","","","0.1279","0.1385","","","","","","1.071","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206358","12.114","0.0005","12.114","0.0005","8.9974","0.0005","90","","90","","90","","1320.36","0.11","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -4","P -4","81","","","","- C59 H52 N4 O14 S2 -","- C59 H52 N4 O14 S2 -","- C59 H52 N4 O14 S2 -","1","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers","CrystEngComm","2005","7","","158","160","10.1039/b500757g","","","1.54178","CuKα","","0.0841","0.059","","","0.1703","0.1884","","","","","","0.959","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7209503","10.656","","4.381","","4.1872","","90","","90","","90","","195.475","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","Hg B4 O7","","- B4 Hg O7 -","- B4 Hg O7 -","- B8 Hg2 O14 -","2","0.5","","Huppertz, H.; Weil, M.; Emme, H.","High-Pressure Synthesis and Crystal Structure of the New Orthorhombic Polymorph beta-Hg B4 O7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","815","820","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216054","5.6534","0.0002","25.5246","0.0009","12.1459","0.0003","90","","94.31","0.002","90","","1747.71","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J.","Polymorphs of 4′-(hex-5-ynyloxy)-2,2′:6′,2″-terpyridine: structural diversity arising from weak intermolecular interactions in the solid state","CrystEngComm","2005","7","98","599","","10.1039/b512066g","","","0.71073","MoKα","","0.0974","0.0595","","0.2981","0.0698","0.0698","","","","","","0.9646","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216055","35.6129","0.0012","5.4646","0.0002","20.5952","0.0007","90","","120.439","0.002","90","","3455.6","0.2","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J.","Polymorphs of 4′-(hex-5-ynyloxy)-2,2′:6′,2″-terpyridine: structural diversity arising from weak intermolecular interactions in the solid state","CrystEngComm","2005","7","98","599","","10.1039/b512066g","","","0.71073","MoKα","","0.1034","0.0504","","0.0443","0.0326","0.0326","","","","","","1.2421","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216056","6.2231","0.0005","10.3057","0.0008","15.4812","0.0011","75.295","0.001","79.299","0.001","74.715","0.001","918.84","0.12","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bi-1,6-naphthyridin-1,6,6'-ium-tetrachlorocobaltate(II) -chloride","","- C16 H13 Cl5 Co N4 -","- C16 H13 Cl5 Co N4 -","- C32 H26 Cl10 Co2 N8 -","2","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.032","0.0261","","","0.0657","0.0681","","","","","","1.031","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216057","19.004","0.016","12.519","0.011","19.141","0.018","90","","110.093","0.017","90","","4277","7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-bipyridin-1,1'-ium bis(1,1'-binaphthalene-2,2'-diyl phosphate).2.5H2O","","- C50 H39 N2 O10.5 P2 -","- C50 H39 N2 O10.5 P2 -","- C200 H156 N8 O42 P8 -","4","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0609","0.0374","","","0.0898","0.0981","","","","","","0.933","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216058","4.9715","0.0019","9.162","0.004","10.233","0.004","109.757","0.007","92.325","0.007","98.082","0.007","432.4","0.3","207","2","207","2","","","","","","","","5","P -1","-P 1","2","6,6'-diisoquinolin-2,2'-ium dichloride dihydrate","6,6'-diisoquinolin-2,2'-ium dichloride dihydrate","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","1","0.5","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoK\α","","0.1561","0.0686","","","0.1079","0.1355","","","","","","0.815","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216059","4.9382","0.0006","9.1344","0.0011","10.2335","0.0012","110.667","0.002","91.904","0.002","98.093","0.002","425.88","0.09","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bi-1,6-naphthyridin-6,6'-ium-dichloride dihydrate","","- C16 H16 Cl2 N4 O2 -","- C16 H16 Cl2 N4 O2 -","- C16 H16 Cl2 N4 O2 -","1","0.5","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0386","0.0334","","","0.0938","0.0976","","","","","","1.076","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216060","18.9374","0.0018","9.0233","0.0009","9.4739","0.0009","90","","92.801","0.002","90","","1616.9","0.3","205","2","205","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridin-1,1'-ium bis(dihydrogenphosphate) dihydrate","","- C10 H18 N2 O10 P2 -","- C10 H18 N2 O10 P2 -","- C40 H72 N8 O40 P8 -","4","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0668","0.0409","","","0.1039","0.1148","","","","","","0.941","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216061","6.45","0.002","9.401","0.004","9.965","0.004","76.674","0.005","76.909","0.005","70.19","0.005","545.9","0.4","290","2","290","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C8 H14 N4 O S -","- C8 H14 N4 O S -","- C16 H28 N8 O2 S2 -","2","1","","Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru","Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions","CrystEngComm","2005","7","62","374","","10.1039/b504347f","","","0.71073","MoKα","","0.0612","0.055","","","0.1639","0.1735","","","","","","0.834","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216062","14.182","0.009","9.295","0.006","8.723","0.005","90","","104.309","0.01","90","","1114.2","1.2","290","2","290","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N4 O S -","- C8 H14 N4 O S -","- C32 H56 N16 O4 S4 -","4","1","","Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru","Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions","CrystEngComm","2005","7","62","374","","10.1039/b504347f","","","0.71073","MoKa","","0.0731","0.0569","","","0.1651","0.1838","","","","","","0.817","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216063","7.7407","0.0002","5.5405","0.0001","10.4926","0.0002","90","","103.643","0.001","90","","437.303","0.016","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Oxauracil","3-Oxauracil","","- C4 H3 N O3 -","- C4 H3 N O3 -","- C16 H12 N4 O12 -","4","1","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0324","0.0299","","","0.0822","0.0849","","","","","","1.067","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216064","14.4737","0.0003","6.003","0.0001","6.3626","0.0001","90","","90","","90","","552.818","0.017","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3-Oxauracil monohydrate","3-Oxauracil monohydrate","","- C4 H5 N O4 -","- C4 H5 N O4 -","- C16 H20 N4 O16 -","4","0.5","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0298","0.0298","","","0.0818","0.0819","","","","","","1.083","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216065","4.6195","0.0001","7.0493","0.0001","7.3452","0.0002","88.169","0.001","81.504","0.001","86.245","0.001","235.998","0.009","150","2","150","2","","","","","","","","4","P -1","-P 1","2","5-hydroxy-2,4(1H,3H)pyrimidinedione","5-hydroxy-2,4(1H,3H)pyrimidinedione","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C8 H8 N4 O6 -","2","1","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0463","0.0409","","","0.1193","0.1236","","","","","","1.069","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216066","13.5662","0.0007","13.5662","0.0007","20.1867","0.0011","90","","90","","120","","3217.5","0.3","293","2","293","2","","","","","","","","9","P 63","P 6c","173","","","","- C48 H44 B Cu6 F4 I5 N12 O S6 -","- C48 H42 B Cu6 F4 I5 N12 O S6 -","- C96 H84 B2 Cu12 F8 I10 N24 O2 S12 -","2","0.333333","","Peng, Rong; Wu, Tao; Li, Dan","A chiral coordination polymer containing copper(i) iodide layer composed of intersecting [CuI]n helices","CrystEngComm","2005","7","97","595","","10.1039/b511708a","","","0.70173","MoKα","","0.0375","0.0335","","","0.0915","0.1001","","","","","","1.143","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216067","13.4415","0.0011","14.8653","0.0012","18.7182","0.0016","72.018","0.001","71.597","0.001","69.434","0.001","3239.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 Cl7 N8 O0.67 Zn -","- C41.3333 H25.3333 Cl4 N8 Zn -","- C124 H76 Cl12 N24 Zn3 -","3","1.5","","Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire","A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin)","CrystEngComm","2005","7","103","621","","10.1039/b515083n","","","0.71073","MoKα","","0.0825","0.0519","","","0.129","0.1404","","","","","","1.028","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216068","33.072","0.011","33.072","0.011","9.285","0.004","90","","90","","120","","8795","6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C41.33 H25.33 Cl4 N8 Zn -","- C40 H24 N8 Zn -","- C360 H216 N72 Zn9 -","9","0.5","","Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire","A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin)","CrystEngComm","2005","7","103","621","","10.1039/b515083n","","","0.71073","MoKα","","0.1742","0.0804","","","0.1555","0.1775","","","","","","0.912","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216069","12.144","0.0002","12.253","0.0002","13.039","0.0003","94.872","0.002","111.431","0.002","110.706","0.002","1637.53","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H36 N14 Ni3 O20 S4 -","- C10 H36 N14 Ni3 O20 S4 -","- C20 H72 N28 Ni6 O40 S8 -","2","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.71073","MoKα","","0.0971","0.0429","","","0.0802","0.0967","","","","","","0.983","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216070","7.139","0.0014","31.196","0.006","11.575","0.002","90","","93.865","0.01","90","","2572","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N6 Ni2 O14 S2 -","- C12 H34 N6 Ni2 O14 S2 -","- C48 H136 N24 Ni8 O56 S8 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.6941","","","0.1067","0.0701","","","0.118","0.1262","","","","","","1.146","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216071","13.711","0.002","10.2151","0.0015","18.702","0.003","90","","96.868","0.01","90","","2600.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N10 Ni O9 S3 -","- C12 H34 N10 Ni O9 S3 -","- C48 H136 N40 Ni4 O36 S12 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.6941","synchrotron","","0.0465","0.0353","","","0.0742","0.0763","","","","","","1.145","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216072","9.194","0.0005","11.037","0.0007","9.283","0.0006","90","","107.528","0.004","90","","898.25","0.1","170","2","170","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H9 N3 O5 S Zn -","- C4 H9 N3 O5 S Zn -","- C16 H36 N12 O20 S4 Zn4 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.71073","MoKα","","0.0317","0.0299","","","0.0778","0.0796","","","","","","1.086","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216073","7.355","0.0002","12.149","0.0002","16.809","0.0004","105.745","0.0009","96.956","0.002","104.237","0.002","1372.53","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H31 N11 O11 S3 Zn2 -","- C12 H31 N11 O11 S3 Zn2 -","- C24 H62 N22 O22 S6 Zn4 -","2","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.7107","MoKα","","0.0506","0.0335","","","0.07","0.0764","","","","","","1.018","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216074","8.973","0.002","13.598","0.003","15.883","0.004","90","","95.179","0.004","90","","1930.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cd N2 O6 -","- C20 H18 Cd N2 O6 -","- C80 H72 Cd4 N8 O24 -","4","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.038","0.0321","","","0.0747","0.0799","","","","","","1.008","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216075","22.723","0.005","13.317","0.003","14.967","0.003","90","","117.354","0.002","90","","4022.6","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cd N2 O6 -","- C22 H16 Cd N2 O6 -","- C176 H128 Cd8 N16 O48 -","8","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0364","0.0343","","","0.0852","0.0866","","","","","","1.084","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216076","9.19","0.004","15.36","0.006","16.17","0.007","90","","99.11","0.005","90","","2253.7","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cd N2 O6 -","- C23 H24 Cd N2 O6 -","- C92 H96 Cd4 N8 O24 -","4","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0753","0.0591","","","0.1331","0.1444","","","","","","1.095","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216077","25.995","0.005","11.6819","0.0013","16.66","0.003","90","","125.584","0.006","90","","4114.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cd N2 O8 -","- C20 H14 Cd N2 O6.5 -","- C160 H112 Cd8 N16 O52 -","8","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0766","0.069","","","0.1666","0.1721","","","","","","1.091","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216078","36.412","0.004","36.412","0.004","36.412","0.004","90","","90","","90","","48276","9","293","2","293","2","","","","","","","","3","P n -3 n :2","-P 4a 2bc 3","222","","","","- C38 H51.12 O9.56 -","- C38 H44 O9.56083 -","- C1824 H2112 O458.92 -","48","1","","Tedesco, Consiglia; Immediata, Ivano; Gregoli, Luisa; Vitagliano, Luigi; Immirzi, Attilio; Neri, Placido","Interconnected water channels and isolated hydrophobic cavities in a calixarene-based, nanoporous supramolecular architecture","CrystEngComm","2005","7","73","449","","10.1039/b505375g","","","0.93931","synchrotron","","0.1046","0.104","","","0.3804","0.3841","","","","","","2.105","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216079","8.3237","0.0001","9.6149","0.0001","12.8717","0.0001","81.09","0.001","82.799","0.001","84.601","0.001","1006.75","0.018","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N4 Ni O2 S2 -","- C18 H24 N4 Ni O2 S2 -","- C36 H48 N8 Ni2 O4 S4 -","2","1","","Hallale, Oren; Bourne, Susan A.; Koch, Klaus R.","Metallamacrocyclic complexes of Ni(ii) with 3,3,3?,3?-tetraalkyl-1,1?-aroylbis(thioureas): crystal and molecular structures of a 2 : 2 metallamacrocycle and a pyridine adduct of the analogous 3 : 3 complex","CrystEngComm","2005","7","25","161","","10.1039/b419468c","","","0.7107","MoKα","","0.0297","0.0246","","","0.0855","0.0924","","","","","","0.773","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216080","16.4822","0.0002","27.7131","0.0003","22.9061","0.0003","90","","95.793","0.001","90","","10409.5","0.2","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C198 H234 N36 Ni6 O12 S12 -","- C198 H234 N36 Ni6 O12 S12 -","- C396 H468 N72 Ni12 O24 S24 -","2","1","","Hallale, Oren; Bourne, Susan A.; Koch, Klaus R.","Metallamacrocyclic complexes of Ni(ii) with 3,3,3?,3?-tetraalkyl-1,1?-aroylbis(thioureas): crystal and molecular structures of a 2 : 2 metallamacrocycle and a pyridine adduct of the analogous 3 : 3 complex","CrystEngComm","2005","7","25","161","","10.1039/b419468c","","","0.7107","MoKα","","0.0869","0.0541","","","0.1188","0.1346","","","","","","1.003","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216081","9.2777","0.0011","9.9706","0.0012","13.3237","0.0016","79.104","0.002","83.541","0.002","86.798","0.002","1201.8","0.2","97","2","97","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))VO2(HO3PCH2CH2PO3))","[{Cu(mephenterpy)}VO2(HO3PCH2CH2PO3)]","","- C24 H22 Cu N3 O8 P2 V -","- C24 H22 Cu N3 O8 P2 V -","- C48 H44 Cu2 N6 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0782","0.0649","","","0.1793","0.1872","","","","","","1.074","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216082","13.4729","0.0014","14.4371","0.0015","14.7309","0.0015","76.621","0.002","65.738","0.002","77.775","0.002","2519.2","0.5","92","2","92","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))2V3O6(O3PCH2CH2PO3)(HO3PCH2CH2PO3))","","","- C48 H43 Cu2 N6 O18 P4 V3 -","- C48 H43 Cu2 N6 O18 P4 V3 -","- C96 H86 Cu4 N12 O36 P8 V6 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0783","0.0663","","","0.1382","0.1453","","","","","","1.091","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216083","8.9849","0.0011","11.2108","0.0011","13.6744","0.0019","74.024","0.002","81.549","0.002","80.035","0.001","1297","0.3","96","2","96","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))VO2(HO3PCH2CH2CH2PO3))","","","- C25 H24 Cu N3 O8 P2 V -","- C25 H24 Cu N3 O8 P2 V -","- C50 H48 Cu2 N6 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0559","0.0447","","","0.1209","0.1272","","","","","","1.05","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216084","14.6527","0.0013","25.481","0.002","13.7823","0.0012","90","","106.866","0.002","90","","4924.5","0.7","95","2","95","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","((Cu(mephenterpy))2(V2O5)2(O3PCH2CH2CH2PO3))","","","- C23.5 H20 Cu N3 O8 P V2 -","- C23.5 H20 Cu N3 O8 P V2 -","- C188 H160 Cu8 N24 O64 P8 V16 -","8","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0678","0.05","","","0.1071","0.1141","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216085","27.7564","0.0018","12.7861","0.0008","17.638","0.0012","90","","125.301","0.001","90","","5108.7","0.6","96","2","96","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Cu(mephenterpy)(HO3PCH2CH2CH2CH2PO3H))","","","- C26 H29 Cu N3 O7 P2 -","- C26 H29 Cu N3 O7 P2 -","- C208 H232 Cu8 N24 O56 P16 -","8","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0396","0.033","","","0.0815","0.0849","","","","","","1.047","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216086","14.923","0.003","14.426","0.003","7.544","0.002","90","","91.9","0.03","90","","1623.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N2 O5 Zn -","- C20 H14 N2 O5 Zn -","- C80 H56 N8 O20 Zn4 -","4","0.5","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0518","0.0373","","","0.0956","0.1148","","","","","","1.01","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216087","19.997","0.002","19.997","0.002","19.997","0.002","90","","90","","90","","7996.4","1.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H75 N6 O19.5 Zn3 -","- C90 H72 N6 O19.5 Zn3 -","- C360 H288 N24 O78 Zn12 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0553","0.0472","","","0.1293","0.1333","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216088","20.342","0.0005","20.342","0.0005","20.342","0.0005","90","","90","","90","","8417.5","0.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H75 Cd3 N6 O19.5 -","- C90 H72 Cd3 N6 O19.5 -","- C360 H288 Cd12 N24 O78 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0378","0.0318","","","0.0847","0.0872","","","","","","1.171","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216089","20.6146","0.0013","20.6146","0.0013","20.6146","0.0013","90","","90","","90","","8760.4","1","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C96 H85 Cd3 N6 O18.5 -","- C96 H84 Cd3 N6 O18.5 -","- C384 H336 Cd12 N24 O74 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0579","0.035","","","0.076","0.0829","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216090","13.4837","0.0013","13.7172","0.0013","18.9414","0.0018","90","","87.155","0.003","90","","3499.1","0.6","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N5 O11 P3 V -","- C30 H23 Cu2 N5 O11 P3 V -","- C120 H92 Cu8 N20 O44 P12 V4 -","4","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0878","0.0638","","","0.1098","0.1291","","","","","","1.062","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216091","17.2481","0.0012","26.2681","0.0019","11.0818","0.0008","90","","90","","90","","5020.9","0.6","90","2","87","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C11 H9 Cu0.5 N O5 P V -","- C11 H9 Cu0.5 N O5 P V -","- C176 H144 Cu8 N16 O80 P16 V16 -","16","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0373","0.0354","","","0.0807","0.0816","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216092","8.0833","0.0007","11.5444","0.001","10.5565","0.0009","90","","108.335","0.002","90","","935.09","0.14","87","2","87","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H13 Cu N2 O8 P2 V -","- C16 H13 Cu N2 O8 P2 V -","- C32 H26 Cu2 N4 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0316","0.0303","","","0.078","0.0788","","","","","","1.023","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216093","20.7505","0.001","45.726","0.002","6.0304","0.0003","90","","90","","90","","5721.9","0.5","101","2","101","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H12 Cu2 N O8 P2 -","- C11 H12 Cu2 N O8 P2 -","- C176 H192 Cu32 N16 O128 P32 -","16","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0367","0.0339","","","0.0716","0.0727","","","","","","1.097","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216094","9.7559","0.0009","13.8997","0.0013","19.7171","0.0018","101.657","0.002","93.949","0.002","110.477","0.002","2424.6","0.4","91","2","91","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H38 Cu2 N4 O15 P4 V2 -","- C48 H36 Cu2 N4 O15 P4 V2 -","- C96 H72 Cu4 N8 O30 P8 V4 -","2","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0738","0.0659","","","0.1846","0.1885","","","","","","1.138","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216095","14.87","0.001","25.446","0.001","8.275","0.002","90","","90","","90","","3131.1","0.8","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C8 H18 Cl3 N O Pb S2 -","- C8 H18 Cl3 N O Pb S2 -","- C64 H144 Cl24 N8 O8 Pb8 S16 -","8","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Devillanova, Francesco A.; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito","Inorganic‒organic hybrid materials: construction of the first polymeric channelled halometallate(ii) system","CrystEngComm","2005","7","88","544","","10.1039/b507499a","","","0.71073","MoKα","","0.054","0.0366","","","0.0896","0.0926","","","","","","1.037","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216096","15.393","0.004","15.393","0.004","6.6615","0.0014","90","","90","","120","","1366.9","0.6","153","2","153","2","","","","","","","","4","P 63","P 6c","173","","","","- C30 H24 N6 O6 -","- C24 H12 N6 O3 -","- C48 H24 N12 O6 -","2","0.333333","","Süss, Heike I.; Neels, Antonia; Hulliger, J.","2,4,6-Tris(4-cyanophenoxy)-1,3,5-triazine (CNPOT): Trigonal synthons in crystal engineering","CrystEngComm","2005","7","61","370","","10.1039/b507301d","","","0.71073","MoKα","","0.1142","0.0963","","","0.259","0.2771","","","","","","1.09","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216097","24.842","0.002","18.1089","0.0017","10.8129","0.001","90","","107.213","0.001","90","","4646.4","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N10 O6 Sn -","- C52 H36 N10 O6 Sn -","- C208 H144 N40 O24 Sn4 -","4","0.5","","Kim, Hee-Joon; Jo, Hwa Jin; Kim, Jaheon; Kim, Soo-Young; Kim, Dongwoo; Kim, Kimoon","Supramolecular self-assembly of tin(iv) porphyrin channels stabilizing single-file chains of water molecules","CrystEngComm","2005","7","68","417","","10.1039/b504841a","","","0.71073","MoKα","","0.053","0.0457","","","0.1259","0.1304","","","","","","1.07","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216098","6.1272","0.0008","7.262","0.001","45.252","0.006","90","","90","","90","","2013.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.0601","0.0444","","","0.1085","0.1128","","","","","","1.062","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216099","6.212","0.001","7.213","0.002","44.481","0.009","90","","90","","90","","1993.1","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.1165","0.0843","","","0.2254","0.2437","","","","","","1.074","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216100","6.1739","0.0008","7.1907","0.0009","44.763","0.007","90","","90","","90","","1987.2","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.126","0.1161","","","0.2475","0.2515","","","","","","1.165","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216101","9.8663","0.0009","10.7948","0.0009","12.5957","0.0009","108.446","0.007","101.895","0.007","93.506","0.007","1233.66","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-1,4-diaminobenzene phenazine 1:4 complex","N,N'-Bis(2-pyridyl)-1,4-diaminobenzene phenazine 1:4 complex","","- C64 H46 N12 -","- C64 H46 N12 -","- C64 H46 N12 -","1","0.5","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","1.54178","CuKα","","0.0515","0.0391","","","0.1042","0.1119","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216102","7.1084","0.0005","12.7044","0.0007","20.4711","0.0012","86.329","0.005","81.084","0.005","77.767","0.005","1783.96","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-4,4'-oxybis(aminobenzene) phenazine 1:2 complex","N,N'-Bis(2-pyridyl)-4,4'-oxybis(aminobenzene) phenazine 1:2 complex","","- C46 H34 N8 O -","- C46 H34 N8 O -","- C92 H68 N16 O2 -","2","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0738","0.055","","","0.126","0.1472","","","","","","1.108","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216103","14.1875","0.0008","8.7245","0.0005","23.006","0.0013","90","","101.831","0.005","90","","2787.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-Bis(2-pyridyl)-4,4'-sulphonyldianiline phenazine 1:1 complex","N,N'-Bis(2-pyridyl)-4,4'-sulphonyldianiline phenazine 1:1 complex","","- C34 H26 N6 O2 S -","- C34 H26 N6 O2 S -","- C136 H104 N24 O8 S4 -","4","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0645","0.0399","","","0.0858","0.095","","","","","","0.922","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216104","8.5174","0.0007","8.6054","0.0009","14.5408","0.0011","99.694","0.007","93.711","0.006","115.471","0.009","937.12","0.17","140","2","140","2","","","","","","","","3","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-1,3-diamino-2-methylbenzene phenazine 2:1","N,N'-Bis(2-pyridyl)-1,3-diamino-2-methylbenzene phenazine 2:1","","- C23 H20 N5 -","- C23 H20 N5 -","- C46 H40 N10 -","2","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0613","0.0475","","","0.1192","0.1285","","","","","","1.014","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216105","5.336","0.0008","10.8324","0.0017","11.4215","0.0017","66.689","0.015","78.508","0.012","81.096","0.013","592.02","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","N,N'-Diphenyl-1,4-diaminobenzene phenazine 1:1 complex","N,N'-Diphenyl-1,4-diaminobenzene phenazine 1:1 complex","","- C30 H24 N4 -","- C30 H24 N4 -","- C30 H24 N4 -","1","0.5","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0768","0.055","","","0.128","0.1496","","","","","","1.114","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216106","8.4657","0.0017","9.1803","0.0018","12.904","0.003","95.69","0.03","99.32","0.03","112.12","0.03","902.6","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","","- C23 H19.5 N0.5 O3 -","- C23 H18 N0.5 O3 -","- C46 H36 N O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion compounds of isomeric xanthenol hosts with aniline","CrystEngComm","2005","7","120","731","","10.1039/b515436g","","","0.71073","MoKα","","0.1033","0.049","","","0.1296","0.1509","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216107","13.501","0.003","8.8328","0.0018","17.207","0.003","90","","99.32","0.03","90","","2024.9","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9-(3-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","9-(3-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion compounds of isomeric xanthenol hosts with aniline","CrystEngComm","2005","7","120","731","","10.1039/b515436g","","","0.71073","MoKα","","0.0485","0.0368","","","0.0908","0.0976","","","","","","1.039","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216108","26.254","0.003","11.6963","0.0012","31.383","0.005","90","","114.6","0.03","90","","8762","3","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri- phosphazene 1,4-diiodo-2,3,5,6-tetrafluorobenzene hemi-carbontetrachloride","","- C81 H48 Cl4 F8 I4 N10 O12 P6 -","- C81 H48 Cl4 F8 I4 N10 O12 P6 -","- C324 H192 Cl16 F32 I16 N40 O48 P24 -","4","0.5","","Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe","Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene","CrystEngComm","2005","7","83","511","","10.1039/b507263h","","","0.71073","MoKα","","0.0255","0.0205","","","0.0564","0.0571","","","","","","1.024","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216109","9.97","0.003","11.443","0.003","27.801","0.005","90","","94.14","0.03","90","","3163.4","1.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri- phosphazene","","- C34 H24 N5 O6 P3 -","- C34 H24 N5 O6 P3 -","- C136 H96 N20 O24 P12 -","4","1","","Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe","Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene","CrystEngComm","2005","7","83","511","","10.1039/b507263h","","","0.71073","MoKα","","0.1203","0.0621","","","0.1324","0.1614","","","","","","1.009","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216110","10.3728","0.0002","6.6329","0.0001","20.0945","0.0004","90","","94.336","0.001","90","","1378.58","0.04","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Co(H2O)6)Br2 . 2(bpdo) . 2H2O","[Co(H2O)6]Br2 . 2(bpdo) . 2H2O","","- C20 H28 Br2 Co N4 O12 -","- C20 H28 Br2.01 Co N4 O12.01 -","- C40 H56 Br4.02 Co2 N8 O24.02 -","2","0.5","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","","0.71073","MoKα","","0.0505","0.0439","","","0.1116","0.1138","","","","","","1.171","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216111","6.7328","0.0002","10.2841","0.0003","10.6577","0.0003","85.2","0.001","70.023","0.001","91.103","0.001","690.21","0.03","113","2","113","2","","","","","","","","6","P -1","-P 1","2","(Co(H2O)6)Cl2 . 2(bpdo) . 2(H2O)","[Co(H2O)6]Cl2 . 2(bpdo) . 2(H2O)","","- C20 H32 Cl2 Co N4 O12 -","- C20 H16 Cl2 Co N4 O12 -","- C20 H16 Cl2 Co N4 O12 -","1","0.5","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.7107","MoKα","","0.1552","0.1055","","","0.2736","0.3124","","","","","","1.102","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216112","19.149","0.003","19.149","0.003","13.917","0.003","90","","90","","90","","5103.1","1.6","113","2","113","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","(CoI2(H2O)4) . 2(bpdo)","","","- C20 H24 Co I2 N4 O8 -","- C20 H24 Co I2 N4 O8 -","- C160 H192 Co8 I16 N32 O64 -","8","0.25","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0338","0.0186","","","0.0399","0.0441","","","","","","1.023","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216113","7.8139","0.0002","9.9126","0.0003","17.1863","0.0005","78.607","0.001","83.46","0.001","85.615","0.001","1294.47","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","(Co(H2O)3(bpdo)(NO3)) NO3 . bpdo . H2O","[Co(H2O)3(bpdo)(NO3)] NO3 . bpdo . H2O","","- C20 H24 Co N6 O14 -","- C20 H16 Co N6 O14 -","- C40 H32 Co2 N12 O28 -","2","1","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.7107","MoKα","","0.1355","0.0704","","","0.1793","0.2094","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216114","12.129","0.002","12.907","0.003","17.896","0.004","77.49","0.03","70.25","0.03","76.28","0.03","2532.9","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","(Co(H2O)3(bpdo)(NO3)) NO3 . bpdo . H2O","[Co(H2O)3(bpdo)(NO3)] NO3 . bpdo . H2O","","- C20 H24 Co N6 O14 -","- C20 H23 Co N6 O14 -","- C80 H92 Co4 N24 O56 -","4","2","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0896","0.0412","","","0.0913","0.1085","","","","","","1.017","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216115","7.122","0.001","25.319","0.005","10.241","0.002","90","","93.14","0.03","90","","1843.9","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Co(H2O)5(bpdo))SO4 . 2H2O","[Co(H2O)5(bpdo)]SO4 . 2H2O","","- C10 H22 Co N2 O13 S -","- C10 H22 Co N2 O13 S -","- C40 H88 Co4 N8 O52 S4 -","4","1","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0487","0.0369","","","0.0882","0.0932","","","","","","1.126","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216116","12.2972","0.0003","10.3781","0.0003","19.1675","0.0004","90","","103.598","0.002","90","","2377.62","0.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag As F6 N2 -","- C8 H10 Ag As F6 N2 -","- C64 H80 Ag8 As8 F48 N16 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0482","0.0306","","","0.0684","0.0733","","","","","","1.054","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216117","12.3792","0.0005","10.6135","0.0003","19.1059","0.0007","90","","101.732","0.002","90","","2457.82","0.15","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag F6 N2 Sb -","- C8 H10 Ag F6 N2 Sb -","- C64 H80 Ag8 F48 N16 Sb8 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0351","0.0259","","","0.0641","0.0667","","","","","","1.047","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216118","12.3034","0.0003","10.1981","0.0003","19.2165","0.0006","90","","105.077","0.001","90","","2328.12","0.12","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag F6 N2 P -","- C8 H10 Ag F6 N2 P -","- C64 H80 Ag8 F48 N16 P8 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0335","0.0261","","","0.0713","0.0756","","","","","","1.001","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216119","11.83","0.002","10.034","0.002","17.741","0.004","90","","90","","90","","2105.9","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Ag B F4 N2 -","- C8 H10 Ag B F4 N2 -","- C64 H80 Ag8 B8 F32 N16 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0292","0.0228","","","0.0595","0.0638","","","","","","1.02","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216120","11.8146","0.0014","9.8538","0.0011","13.4621","0.0016","90","","102.271","0.003","90","","1531.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triphelyn phosphite","triphelyn phosphite","","- C18 H15 O3 P -","- C18 H15 O3 P -","- C72 H60 O12 P4 -","4","1","","Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S.","Long-awaited polymorphic modification of triphenyl phosphite","CrystEngComm","2005","7","77","465","","10.1039/b505052a","","","0.71073","MoKα","","0.1099","0.0576","","","0.1071","0.1177","","","","","","1.058","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216125","3.641","0.005","9.363","0.014","17.51","0.03","90","","92.5","0.02","90","","596.4","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium rhodizonate","","","- C8 H12 N6 O6 -","- C8 H12 N6 O6 -","- C16 H24 N12 O12 -","2","0.5","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","An unexpected network in guanidinium rhodizonate","CrystEngComm","2005","7","105","629","","10.1039/b513300a","","","0.71073","MoKα","","0.2317","0.0986","","","0.2223","0.2572","","","","","","0.826","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216126","7.334","0.0006","7.6604","0.0006","16.1964","0.0011","90","","95.632","0.002","90","","905.54","0.12","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N2 O3 S -","- C8 H8 N2 O3 S -","- C32 H32 N8 O12 S4 -","4","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.064","0.049","","","0.114","0.122","","","","","","1.06","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216127","5.6059","0.0008","7.9101","0.0011","11.9617","0.0013","99.223","0.003","101.517","0.003","100.21","0.004","500.87","0.11","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 N O2 S -","- C10 H11 N O2 S -","- C20 H22 N2 O4 S2 -","2","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.087","0.069","","","0.211","0.221","","","","","","1.17","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216128","14.5243","0.001","7.7142","0.0006","17.276","0.0012","90","","110.56","0.002","90","","1812.4","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cl N O S -","- C8 H8 Cl N O S -","- C64 H64 Cl8 N8 O8 S8 -","8","2","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.062","0.043","","","0.112","0.121","","","","","","1.04","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216129","8.1538","0.0009","6.8174","0.0008","18.976","0.002","90","","97.586","0.003","90","","1045.6","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.073","0.047","","","0.115","0.125","","","","","","0.96","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7221495","11.1432","","7.4382","","11.1896","","90","","90","","90","","927.454","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Rb2 (Pt (C N)4)","","- C4 N4 Pt Rb2 -","- C4 N4 Pt Rb2 -","- C16 N16 Pt4 Rb8 -","4","0.25","","Muehle, C.; Karpov, A.; Jansen, M.","Crystal structure elucidation of anhydrous Rb2 [Pt (C N)4] from x-ray powder diffraction data","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","1269","1272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221510","10.3987","","11.4878","","20.823","","90","","98.907","","90","","2457.48","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Nd (H2 O)5)2 (Ni (S2 C2 O2)2)3 (H2 O)12","","- C12 H28 Nd2 Ni3 O34 S12 -","- C12 H28 Nd2 Ni3 O34 S12 -","- C24 H56 Nd4 Ni6 O68 S24 -","2","0.5","","Siebold, M.; Kelling, A.; Schilde, U.; Strauch, P.","Heterobimetallische 3d-4f-Komplexe mit bis(1,2-dithiooxalato)nickelat(II) als planarem Brueckenbaustein","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","1149","1157","","","","","","","","","","","","","","","","","","","","","","has coordinates","151642","2020-10-21","18:00:00",""
"7221511","10.5091","","11.0604","","11.2823","","107.899","","91.436","","112.918","","1133.64","","","","","","","","","","","","","6","P -1","-P 1","2","","(Er (H2 O)5)2 (Ni (S2 C2 O2)2)3 (H2 O)8","","- C12 H36 Er2 Ni3 O30 S12 -","- C12 H36 Er2 Ni3 O30 S12 -","- C12 H36 Er2 Ni3 O30 S12 -","1","0.5","","Siebold, M.; Kelling, A.; Schilde, U.; Strauch, P.","Heterobimetallische 3d-4f-Komplexe mit bis(1,2-dithiooxalato)nickelat(II) als planarem Brueckenbaustein","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","1149","1157","","","","","","","","","","","","","","","","","","","","","","has coordinates","151643","2020-10-21","18:00:00",""
"7222497","11.627","","5.9271","","17.667","","90","","90","","90","","1217.51","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 (V S2 O2)","","- Na3 O2 S2 V -","- Na3 O2 S2 V -","- Na24 O16 S16 V8 -","8","1","","Schnabel, S.; Roehr, C.","Gemischte Thio/Oxo-Orthovanadate Na3[VSxO4-x] (x=2, 3): Darstellung - Strukturen - Eigenschaften","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","479","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222498","9.684","","11.946","","5.905","","90","","90","","90","","683.12","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Na3 (V S3 O)","","- Na3 O S3 V -","- Na3 O S3 V -","- Na12 O4 S12 V4 -","4","0.5","","Schnabel, S.; Roehr, C.","Gemischte Thio/Oxo-Orthovanadate Na3[VSxO4-x] (x=2, 3): Darstellung - Strukturen - Eigenschaften","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","479","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222499","5.895","","9.628","","11.866","","90","","90","","90","","673.479","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na3 (V S3 O)","","- Na3 O S3 V -","- Na3 O S3 V -","- Na12 O4 S12 V4 -","4","0.5","","Schnabel, S.; Roehr, C.","Gemischte Thio/Oxo-Orthovanadate Na3[VSxO4-x] (x=2, 3): Darstellung - Strukturen - Eigenschaften","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","479","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222502","2.99205","","6.17821","","9.40031","","90","","90","","90","","173.77","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cu C N2","","- C Cu N2 -","- C Cu N2 -","- C4 Cu4 N8 -","4","0.25","","Liu, X; Wankeu, M.A.; Dronskowski, R.; Lueken, H.","A Novel Method for Synthesizing Crystalline Copper Carbodiimide, CuNCN. Structure Determination by X-Ray Rietveld Refinement","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","593","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222506","4.7668","","9.6528","","11.656","","90","","97.75","","90","","531.428","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","H2 N C (O) N H C (N H2) N C N","","- C3 H5 N5 O -","- C3 H5 N5 O -","- C12 H20 N20 O4 -","4","1","","Lotsch, B.V.; Schnick, W.","Catalytic Formation and Crystal Structure of Cyanoguanylurea H2NC(=O)NHC(NH2)NCN","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","377","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222518","7.7068","","7.7068","","7.7068","","90","","90","","90","","457.744","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Eu0.94 Pt2 In0.06","","- Eu0.94 In0.06 Pt2 -","- Eu0.94 In0.06 Pt2 -","- Eu7.52 In0.48 Pt16 -","8","0.0416667","","Lukachuk, M.; Kal'ichak, Ya.M.; Nilges, T.; Poettgen, R.","On the Solid Solutions Eu1-xPt2Inx, Gd1-xPt2Inx and Tm1-xNi2Inx","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","393","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","161815","2020-10-21","18:00:00",""
"7222519","7.6916","","7.6916","","7.6916","","90","","90","","90","","455.041","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Eu0.85 Pt2 In0.15","","- Eu0.85 In0.15 Pt2 -","- Eu0.846 In0.154 Pt2 -","- Eu6.768 In1.232 Pt16 -","8","0.0416667","","Lukachuk, M.; Nilges, T.; Kal'ichak, Ya.M.; Poettgen, R.","On the Solid Solutions Eu1-xPt2Inx, Gd1-xPt2Inx and Tm1-xNi2Inx","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","393","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","161820","2020-10-21","18:00:00",""
"7222520","7.6012","","7.6012","","7.6012","","90","","90","","90","","439.184","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Gd0.79 Pt2 In0.21","","- Gd0.79 In0.21 Pt2 -","- Gd0.79 In0.21 Pt2 -","- Gd6.32 In1.68 Pt16 -","8","0.0416667","","Lukachuk, M.; Nilges, T.; Kal'ichak, Ya.M.; Poettgen, R.","On the Solid Solutions Eu1-xPt2Inx, Gd1-xPt2Inx and Tm1-xNi2Inx","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","393","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","161825","2020-10-21","18:00:00",""
"7222521","6.994","","6.994","","6.994","","90","","90","","90","","342.119","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Tm Ni4 In","","- In Ni4 Tm -","- In Ni4 Tm -","- In4 Ni16 Tm4 -","4","0.0416667","","Lukachuk, M.; Kal'ichak, Ya.M.; Nilges, T.; Poettgen, R.","On the solid solutions Eu1-x Pt2 Inx, Gd1-x Pt2 Inx and Tm1-x Ni2 Inx","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","393","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222554","6.9812","","8.6371","","10.5846","","89.058","","86.842","","75.106","","615.842","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Dy2 O13 Te5 -","- Dy2 O13 Te5 -","- Dy4 O26 Te10 -","2","1","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: II. Die isotype Reihe M2 Te5 O13 (M = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","720","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222555","6.9543","","8.6268","","10.5672","","89.003","","86.81","","75.049","","611.548","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Ho2 O13 Te5 -","- Ho2 O13 Te5 -","- Ho4 O26 Te10 -","2","1","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: II. Die isotype Reihe M2 Te5 O13 (M = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","720","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222556","6.9285","","8.6173","","10.5507","","88.912","","86.778","","74.991","","607.471","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Er2 O13 Te5 -","- Er2 O13 Te5 -","- Er4 O26 Te10 -","2","1","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: II. Die isotype Reihe M2 Te5 O13 (M = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","720","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222557","6.9039","","8.6082","","10.5351","","88.823","","86.746","","74.934","","603.596","","","","","","","","","","","","","3","P -1","-P 1","2","","Tm2 O13 Te5","","- O13 Te5 Tm2 -","- O13 Te5 Tm2 -","- O26 Te10 Tm4 -","2","1","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: II. Die isotype Reihe M2 Te5 O13 (M = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","720","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","162469","2020-10-21","18:00:00",""
"7222558","6.8804","","8.6001","","10.5205","","88.745","","86.713","","74.876","","599.954","","","","","","","","","","","","","3","P -1","-P 1","2","","Yb2 O13 Te5","","- O13 Te5 Yb2 -","- O13 Te5 Yb2 -","- O26 Te10 Yb4 -","2","1","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: II. Die isotype Reihe M2 Te5 O13 (M = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","720","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","162472","2020-10-21","18:00:00",""
"7222559","6.8632","","8.5957","","10.5083","","88.716","","86.671","","74.838","","597.321","","","","","","","","","","","","","3","P -1","-P 1","2","","Lu2 (Te5 O13)","","- Lu2 O13 Te5 -","- Lu2 O13 Te5 -","- Lu4 O26 Te10 -","2","1","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: II. Die isotype Reihe M2 Te5 O13 (M = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","720","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","162476","2020-10-21","18:00:00",""
"7222561","6.3913","","7.0002","","6.7046","","90","","98.214","","90","","296.889","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cu Tb S2","","- Cu S2 Tb -","- Cu S2 Tb -","- Cu4 S8 Tb4 -","4","1","","Strobel, S.; Lauxmann, P.; Schleid, T.","Muenzmetall-Lanthanid-Chalkogenide:I. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung Cu M S2(M = La - Nd, Sm, Gd, Tb) im monoklinen A-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","917","923","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222562","6.5869","","7.2673","","6.8964","","90","","98.702","","90","","326.323","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cu Ce S2","","- Ce Cu S2 -","- Ce Cu S2 -","- Ce4 Cu4 S8 -","4","1","","Strobel, S.; Lauxmann, P.; Schleid, T.","Muenzmetall-Lanthanid-Chalkogenide:I. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung Cu M S2(M = La - Nd, Sm, Gd, Tb) im monoklinen A-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","917","923","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222563","6.417","","7.0351","","6.7295","","90","","98.279","","90","","300.632","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cu Gd S2 -","- Cu Gd S2 -","- Cu4 Gd4 S8 -","4","1","","Strobel, S.; Lauxmann, P.; Schleid, T.","Muenzmetall-Lanthanid-Chalkogenide:I. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung Cu M S2(M = La - Nd, Sm, Gd, Tb) im monoklinen A-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","917","923","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222564","6.6186","","7.3104","","6.9257","","90","","98.736","","90","","331.21","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cu La S2 -","- Cu La S2 -","- Cu4 La4 S8 -","4","1","","Strobel, S.; Lauxmann, P.; Schleid, T.","Muenzmetall-Lanthanid-Chalkogenide:I. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung Cu M S2(M = La - Nd, Sm, Gd, Tb) im monoklinen A-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","917","923","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222565","6.5291","","7.1856","","6.8372","","90","","98.538","","90","","317.216","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cu Nd S2 -","- Cu Nd S2 -","- Cu4 Nd4 S8 -","4","1","","Strobel, S.; Schleid, T.; Lauxmann, P.","Muenzmetall-Lanthanid-Chalkogenide:I. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung Cu M S2(M = La - Nd, Sm, Gd, Tb) im monoklinen A-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","917","923","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222566","6.4724","","7.1085","","6.7809","","90","","98.403","","90","","308.634","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cu Sm S2","","- Cu S2 Sm -","- Cu S2 Sm -","- Cu4 S8 Sm4 -","4","1","","Strobel, S.; Schleid, T.; Lauxmann, P.","Muenzmetall-Lanthanid-Chalkogenide:I. Kupfer(I)-Lanthanid(III)-Sulfide der Zusammensetzung Cu M S2(M = La - Nd, Sm, Gd, Tb) im monoklinen A-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","917","923","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222567","4.0119","","9.265","","7.124","","90","","90","","90","","264.801","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mg Cu Al2","","- Al2 Cu Mg -","- Al2 Cu Mg -","- Al8 Cu4 Mg4 -","4","0.25","","Heying, B.; Hoffmann, R.; Poettgen, R.","Structure Refinement of the S-Phase Precipitate MgCuAl2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","491","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222571","18.213","","15.7784","","9.5248","","90","","90","","90","","2737.16","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ge9 K4 (N H3)9","","- Ge9 H27 K4 N9 -","- Ge9 H27 K4 N9 -","- Ge36 H108 K16 N36 -","4","0.5","","Suchentrunk, C.; Daniels, J.; Korber, N.; Carillo-Cabrera, W.; Somer, M.","Synthesis and Crystal Structures of the Polygermanide Ammoniates K4Ge9 x 9 NH3, Rb4Ge9 x 5 NH3 and Cs6Ge18 x 4 NH3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","277","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222572","9","","14.901","","16.977","","90","","91.49","","90","","2276","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ge9 Rb4 (N H3)5","","- Ge9 H15 N5 Rb4 -","- Ge9 H15 N5 Rb4 -","- Ge36 H60 N20 Rb16 -","4","1","","Suchentrunk, C.; Daniels, J.; Carillo-Cabrera, W.; Somer, M.; Korber, N.","Synthesis and Crystal Structures of the Polygermanide Ammoniates K4Ge9 x 9 NH3, Rb4Ge9 x 5 NH3 and Cs6Ge18 x 4 NH3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","277","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222573","8.964","","14.175","","14.991","","90","","93.7","","90","","1900.86","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs3 Ge9 (N H3)2","","- Cs3 Ge9 H6 N2 -","- Cs3 Ge9 H6 N2 -","- Cs12 Ge36 H24 N8 -","4","1","","Suchentrunk, C.; Daniels, J.; Carillo-Cabrera, W.; Somer, M.; Korber, N.","Synthesis and Crystal Structures of the Polygermanide Ammoniates K4Ge9 x 9 NH3, Rb4Ge9 x 5 NH3 and Cs6Ge18 x 4 NH3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","277","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222667","11.972","","6.973","","10.388","","90","","90","","90","","867.198","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba K P Se4 -","- Ba K P Se4 -","- Ba4 K4 P4 Se16 -","4","0.5","","Joergens, S.; Mewis, A.","Neue Chalcogenophosphate: KBaPS4, KBaPSe4 und Ba3PO4PSe4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222668","6.779","","7.108","","12.727","","90","","90","","90","","613.252","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 O4 P2 Se4 -","- Ba3 O4 P2 Se4 -","- Ba24 O32 P16 Se32 -","8","1","","Joergens, S.; Mewis, A.","Neue Chalcogenophosphate: K Ba P S4, K Ba P Se4 und Ba3 P O4 P Se4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222669","11.587","","6.7","","10.118","","90","","90","","90","","785.49","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba K P S4 -","- Ba K P S4 -","- Ba4 K4 P4 S16 -","4","0.5","","Joergens, S.; Mewis, A.","Neue Chalcogenophosphate: KBaPS4, KBaPSe4 und Ba3PO4PSe4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222670","11.498","","11.498","","19.882","","90","","90","","90","","2628.48","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Eu Li P S4 -","- Eu Li P S4 -","- Eu16 Li16 P16 S64 -","16","0.5","","Joergens, S.; Alili,L.; Mewis, A.","Der PrPS4-Strukturtyp und eine ""aufgefuellte"" Variante: Die Verbindungen TbPS4 und LiEuPS4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","705","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222671","10.696","","10.696","","19.053","","90","","90","","90","","2179.75","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Tb P S4","","- P S4 Tb -","- P S4 Tb -","- P16 S64 Tb16 -","16","0.5","","Joergens, S.; Alili,L.; Mewis, A.","Der PrPS4-Strukturtyp und eine ""aufgefuellte"" Variante: Die Verbindungen TbPS4 und LiEuPS4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","705","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222711","7.069","","7.069","","7.069","","90","","90","","90","","353.243","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ce Ni4 Cd","","- Cd Ce Ni4 -","- Cd Ce Ni4 -","- Cd4 Ce4 Ni16 -","4","0.0416667","","Poettgen, R.; Dogan, A.","The Ordered Laves Phases CeNi4Cd and RECu4Cd (RE = Ho, Er, Tm, Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","495","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222713","7.231","","7.231","","7.231","","90","","90","","90","","378.09","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ho Cu4 Cd","","- Cd Cu4 Ho -","- Cd Cu4 Ho -","- Cd4 Cu16 Ho4 -","4","0.0416667","","Poettgen, R.; Dogan, A.","The Ordered Laves Phases CeNi4Cd and RECu4Cd (RE = Ho, Er, Tm, Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","495","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222715","7.177","","7.177","","7.177","","90","","90","","90","","369.682","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Er Cu4 Cd","","- Cd Cu4 Er -","- Cd Cu4 Er -","- Cd4 Cu16 Er4 -","4","0.0416667","","Poettgen, R.; Dogan, A.","The Ordered Laves Phases CeNi4Cd and RECu4Cd (RE = Ho, Er, Tm, Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","495","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222717","7.142","","7.142","","7.142","","90","","90","","90","","364.3","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Tm Cu4 Cd","","- Cd Cu4 Tm -","- Cd0.962 Cu4 Tm -","- Cd3.848 Cu16 Tm4 -","4","0.0416667","","Poettgen, R.; Dogan, A.","The Ordered Laves Phases Ce Ni4 Cd and RE Cu4 Cd (RE = Ho, Er, Tm, Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","495","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222719","7.131","","7.131","","7.131","","90","","90","","90","","362.62","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Yb Cu4 Cd","","- Cd Cu4 Yb -","- Cd Cu4 Yb -","- Cd4 Cu16 Yb4 -","4","0.0416667","","Poettgen, R.; Dogan, A.","The Ordered Laves Phases CeNi4Cd and RECu4Cd (RE = Ho, Er, Tm, Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","495","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222722","7.5973","","7.5973","","13.496","","90","","90","","90","","778.975","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sr (O3)2 (N H3)9","","- H27 N9 O6 Sr -","- H27.12 N9 O6 Sr -","- H54.24 N18 O12 Sr2 -","2","0.125","","Klein, W.; Jansen, M.","Darstellung und Kristallstruktur von Strontiumozonid-Ammoniakat, Sr(O3)2 * 9 NH3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","426","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222759","7.6376","","7.6376","","3.8726","","90","","90","","90","","225.9","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","La2 Ni1.66 Cd","","- Cd La2 Ni1.66 -","- Cd La2 Ni1.67 -","- Cd2 La4 Ni3.34 -","2","0.125","","Fickenscher, T.; Eschen, M.; Rodewald, U.C.; Niepmann, D.; Mishra, R.; Poettgen, R.","The Mo2 Fe B2- and Mn2 Al B2-Type modifications of RE2 Ni2 Cd (RE= La, Pr, Nd, Sm, Tb, Dy)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","271","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222760","7.5293","","7.5293","","3.8095","","90","","90","","90","","215.962","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Pr2 Ni2 Cd","","- Cd Ni2 Pr2 -","- Cd Ni2 Pr2 -","- Cd2 Ni4 Pr4 -","2","0.125","","Fickenscher, T.; Rodewald, U.C.; Niepmann, D.; Eschen, M.; Mishra, R.; Poettgen, R.","The Mo2 Fe B2- and Mn2 Al B2-Type modifications of RE2 Ni2 Cd (RE= La, Pr, Nd, Sm, Tb, Dy)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","271","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222761","7.5088","","7.5088","","3.7833","","90","","90","","90","","213.31","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Nd2 Ni2 Cd","","- Cd Nd2 Ni2 -","- Cd Nd2 Ni2 -","- Cd2 Nd4 Ni4 -","2","0.125","","Fickenscher, T.; Rodewald, U.C.; Eschen, M.; Poettgen, R.; Niepmann, D.; Mishra, R.","The Mo2 Fe B2- and Mn2 Al B2-Type modifications of RE2 Ni2 Cd (RE= La, Pr, Nd, Sm, Tb, Dy)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","271","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222762","7.436","","7.436","","3.74","","90","","90","","90","","206.8","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Sm2 Ni1.93 Cd","","- Cd Ni1.93 Sm2 -","- Cd Ni1.93 Sm2 -","- Cd2 Ni3.86 Sm4 -","2","0.125","","Fickenscher, T.; Rodewald, U.C.; Poettgen, R.; Niepmann, D.; Eschen, M.; Mishra, R.","The Mo2 Fe B2- and Mn2 Al B2-Type modifications of RE2 Ni2 Cd (RE= La, Pr, Nd, Sm, Tb, Dy)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","271","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222763","7.349","","7.349","","3.661","","90","","90","","90","","197.723","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Dy2 Ni2 Cd","","- Cd Dy2 Ni2 -","- Cd Dy2 Ni1.94 -","- Cd2 Dy4 Ni3.88 -","2","0.125","","Fickenscher, T.; Rodewald, U.C.; Niepmann, D.; Poettgen, R.; Mishra, R.; Eschen, M.","The Mo2 Fe B2- and Mn2 Al B2-Type modifications of RE2 Ni2 Cd (RE= La, Pr, Nd, Sm, Tb, Dy)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","271","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222790","7.505","","7.505","","4.5985","","90","","90","","120","","224.31","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Y Mg Tl","","- Mg Tl Y -","- Mg Tl Y -","- Mg3 Tl3 Y3 -","3","0.25","","Kraft, R.; Poettgen, R.","Ternary Thallides REMgTl (RE = Y, La-Nd, Sm, Gd-Tm, Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","265","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222792","7.813","","7.813","","4.7784","","90","","90","","120","","252.609","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- La Mg Tl -","- La Mg Tl -","- La3 Mg3 Tl3 -","3","0.25","","Kraft, R.; Poettgen, R.","Ternary Thallides REMgTl (RE = Y, La-Nd, Sm, Gd-Tm, Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","265","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222793","7.741","","7.741","","4.7375","","90","","90","","120","","245.852","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Ce Mg Tl -","- Ce Mg Tl -","- Ce3 Mg3 Tl3 -","3","0.25","","Kraft, R.; Poettgen, R.","Ternary Thallides REMgTl (RE = Y, La-Nd, Sm, Gd-Tm, Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","265","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222794","7.603","","7.603","","4.6593","","90","","90","","120","","233.25","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Sm Mg Tl","","- Mg Sm Tl -","- Mg Sm Tl -","- Mg3 Sm3 Tl3 -","3","0.25","","Kraft, R.; Poettgen, R.","Ternary Thallides REMgTl (RE = Y, La-Nd, Sm, Gd-Tm, Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","265","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222795","8.204","","3.8824","","11.328","","90","","100.82","","90","","354.396","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","La3 Cl3 B C","","- C B Cl3 La3 -","- C B Cl3 La3 -","- C2 B2 Cl6 La6 -","2","0.5","","Zeng, H.Y.; Zheng, C.; Okudera, H.; Mattausch, H.J.; Kremer, R.K.; Simon, A.","La3Cl3BC - Structure, Bonding and Electrical Conductivity","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","499","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222797","4.433","","11.513","","8.06","","90","","90","","90","","411.359","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ba Ir In2","","- Ba In2 Ir -","- Ba In2 Ir -","- Ba4 In8 Ir4 -","4","0.25","","Riecken, J.F.; Poettgen, R.","Structure Refinement of Ba Ir In2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","118","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222812","8.4666","","11.6306","","13.1669","","90","","90.959","","90","","1296.39","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mg ((U O2) (Se O4)2 (H2 O)) (H2 O)4","","- H10 Mg O15 Se2 U -","- Mg O15 Se2 U -","- Mg4 O60 Se8 U4 -","4","1","","Krivovichev, S.V.; Kahlenberg, V.","Preparation and Crystal Structures of M[(UO2)(SeO4)2(H2O)](H2O)4 (M = Mg, Zn)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","538","542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222813","8.4492","","11.586","","13.24","","90","","92.382","","90","","1294.98","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn ((U O2) (Se O4)2 (H2 O)) (H2 O)4","","- H10 O15 Se2 U Zn -","- O15 Se2 U Zn -","- O60 Se8 U4 Zn4 -","4","1","","Krivovichev, S.V.; Kahlenberg, V.","Preparation and Crystal Structures of M[(UO2)(SeO4)2(H2O)](H2O)4 (M = Mg, Zn)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","538","542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7224785","22.5563","0.001","17.1001","0.001","11.3279","0.001","90","","108.512","0.01","90","","4143.3","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Ag F6 N4 O0 Sb -","- C17 H15 Ag F6 N4 Sb -","- C136 H120 Ag8 F48 N32 Sb8 -","8","1","","Jiang, Ji-Jun; Li, Xiang-Ping; Zhang, Xue-Li; Kang, Bei-Sheng; Su, Cheng-Yong","A new Ag(I)-4,4'-bipyridine coordination polymer of honeycomb (6,3) networks containing a Ag~6~(4,4'-bipy)~6~ hexagonal ring of 17 ×26 Å dimensions","CrystEngComm","2005","7","99","603","607","10.1039/b512098e","","","0.71073","MoKα","","0.1841","0.0724","","","0.1153","0.1439","","","","","","1.008","","","","has coordinates","180919","2020-10-21","18:00:00",""
"7238087","10.779","0.002","11.647","0.002","17.741","0.004","86.46","0.03","83.91","0.03","63.32","0.03","1978.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 Mo12 N8 O40 Si -","- C64 H48 Mo12 N8 O40 Si -","- C64 H48 Mo12 N8 O40 Si -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0698","0.0473","","","0.1123","0.1264","","","","","","1.037","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238088","21.22","0.004","15.343","0.003","24.707","0.005","90","","109.23","0.03","90","","7595","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H28.4 Cl3 Mo12 N6 O42.2 P -","- C30 H21 Cl3 Mo12 N6 O42.2 P -","- C120 H84 Cl12 Mo48 N24 O168.8 P4 -","4","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0782","0.0571","","","0.1596","0.1741","","","","","","1.023","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238089","9.783","0.002","14.444","0.003","15.724","0.003","88.09","0.03","72.05","0.03","79.4","0.03","2077","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H55 Br4 Mo12 N8 O43 P -","- C64 H44 Br4 Mo12 N8 O43 P -","- C64 H44 Br4 Mo12 N8 O43 P -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0872","0.0614","","","0.1774","0.1966","","","","","","1.04","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238090","9.897","0.002","14.401","0.003","15.775","0.003","87.64","0.03","72.1","0.03","79.24","0.03","2101.6","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 Br4 N8 O43 Si W12 -","- C64 H44 Br4 N8 O43 Si W12 -","- C64 H44 Br4 N8 O43 Si W12 -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0787","0.0706","","","0.1504","0.1538","","","","","","1.199","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238091","9.1196","0.0005","37.326","0.001","8.8987","0.0004","90","","90","","90","","3029.1","0.2","293","2","293","2","","","","","","","","6","C 2 e b","C -2ac 2","41","","","","- C9 H21 I7 N3 O4 Pb2 -","- C9 H18 I7 N3 O4 Pb2 -","- C36 H72 I28 N12 O16 Pb8 -","4","0.5","","Mercier, Nicolas","(HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets","CrystEngComm","2005","7","70","429","","10.1039/b504342e","","x-ray","0.71073","MoKα","","0.066","0.0365","","","0.0627","0.0683","","","","","","1.018","","","","has coordinates","244064","2020-10-21","18:00:00",""
"7238092","8.904","0.001","9.266","0.001","24.261","0.003","90","","90","","90","","2001.6","0.4","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Pb -","- C8 H20 I4 N2 O4 Pb -","- C32 H80 I16 N8 O16 Pb4 -","4","0.5","","Mercier, Nicolas","(HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets","CrystEngComm","2005","7","70","429","","10.1039/b504342e","","x-ray","0.71073","MoKα","","","0.0277","","","","0.0738","","","","","","0.997","","","","has coordinates","244064","2020-10-21","18:00:00",""
"7238093","11.3793","0.0009","9.6944","0.0007","13.5323","0.001","90","","90","","90","","1492.82","0.19","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H4 Cu I N2 -","- C7 H4 Cu I N2 -","- C56 H32 Cu8 I8 N16 -","8","1","","Wu, Tao; Li, Dan; Ng, Seik Weng","Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers","CrystEngComm","2005","7","84","514","","10.1039/b506273j","","","0.71073","MoKα","","0.0718","0.0636","","","0.1882","0.1949","","","","","","1.167","","","","has coordinates","244065","2020-10-21","18:00:00",""
"7238094","15.8807","0.0012","4.1476","0.0003","17.2672","0.0013","90","","111.929","0.001","90","","1055.05","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cu2 I2 N2 -","- C7 H6 Cu2 I2 N2 -","- C28 H24 Cu8 I8 N8 -","4","1","","Wu, Tao; Li, Dan; Ng, Seik Weng","Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers","CrystEngComm","2005","7","84","514","","10.1039/b506273j","","","0.71073","MoKα","","0.0488","0.0373","","","0.0954","0.1135","","","","","","1.105","","","","has coordinates","244065","2020-10-21","18:00:00",""
"7238095","6.7802","0.0009","6.7802","0.0009","27.425","0.007","90","","90","","90","","1260.8","0.4","100","0.2","100","0.2","","","","","","","","3","P 41","P 4w","76","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0436","0.0422","","","0.0986","0.0993","","","","","","1.224","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238096","9.2811","0.0019","9.926","0.002","13.927","0.003","92.912","0.003","101.065","0.003","91.848","0.004","1256.4","0.5","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","2","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0714","0.0519","","","0.1322","0.1458","","","","","","1.021","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238097","5.958","0.005","5.994","0.005","9.867","0.008","86.177","0.013","82.547","0.013","73.2","0.012","334.3","0.5","292","2","292","2","","","","","","","","3","P -1","-P 1","2","(4aR,8aS,9aR,10aS)perhydro-4a,8a,9a,10a-anthracenetetraol","(4aR,8aS,9aR,10aS)perhydro-4a,8a,9a,10a-anthracenetetraol","","- C14 H24 O4 -","- C14 H24 O4 -","- C14 H24 O4 -","1","0.5","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0576","0.0504","","","0.1405","0.1471","","","","","","1.058","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238098","6.4271","0.0005","12.845","0.001","13.122","0.001","87.403","0.001","78.592","0.001","87.916","0.001","1060.39","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 I2 N2 O4 Pd S2 -","- C40 H42 I2 N2 O4 Pd S2 -","- C40 H42 I2 N2 O4 Pd S2 -","1","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0538","0.0464","","","0.1279","0.1356","","","","","","1.059","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238099","7.0847","0.0004","12.3248","0.0006","12.7151","0.0007","88.999","0.001","74.24","0.001","86.511","0.001","1066.53","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 I2 N4 O4 Pd -","- C42 H42 I2 N4 O4 Pd -","- C42 H42 I2 N4 O4 Pd -","1","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0373","0.0308","","","0.0821","0.0872","","","","","","1.045","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238100","12.388","0.001","13.834","0.002","14.151","0.002","64.58","0.002","67.931","0.002","83.78","0.002","2025.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 I2 N2 O5 Pd -","- C42 H42 I2 N2 O5 Pd -","- C84 H84 I4 N4 O10 Pd2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0902","0.0503","","","0.1317","0.1615","","","","","","1.001","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238101","10.955","0.002","11.153","0.002","14.248","0.003","91.81","0.003","91.062","0.004","105.529","0.003","1675.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 I2 N2 O2 Pd -","- C36 H30 I2 N2 O2 Pd -","- C72 H60 I4 N4 O4 Pd2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.1475","0.111","","","0.3493","0.3703","","","","","","1.308","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238102","8.36","0.0017","8.478","0.0017","22.484","0.006","90","","107.92","0.03","90","","1516.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd2 N2 O9 -","- C14 H8 Cd2 N2 O9 -","- C56 H32 Cd8 N8 O36 -","4","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0372","0.0275","","","0.0652","0.0681","","","","","","1.085","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238103","9.142","0.0018","9.597","0.0019","9.904","0.002","117.25","0.03","104.93","0.03","98.44","0.03","710.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Cd N3 O8 -","- C11 H11 Cd N3 O8 -","- C22 H22 Cd2 N6 O16 -","2","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0439","0.0325","","","0.0789","0.0835","","","","","","1.074","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238104","8.1781","0.0009","10.4752","0.0012","17.291","0.002","78.35","0.02","84.08","0.02","81.4","0.03","1430.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cd4 N8 O29 -","- C52 H42 Cd4 N8 O29 -","- C52 H42 Cd4 N8 O29 -","1","0.5","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0694","0.0427","","","0.0811","0.0854","","","","","","0.952","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238105","7.8679","0.0019","15.969","0.004","8.078","0.002","90","","114.515","0.01","90","","923.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C28 H28 Cd4 N4 O24 -","4","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0415","0.0319","","","0.0579","0.0605","","","","","","0.952","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238106","33.839","0.005","5.6356","0.0009","17.58","0.003","90","","116.787","0.003","90","","2992.8","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Cu2 N4 O11 -","- C34 H22 Cu2 N4 O11 -","- C136 H88 Cu8 N16 O44 -","4","0.5","","Ghoshal, Debajyoti; Ghosh, Ananta Kumar; Ribas, Joan; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Synthesis, crystal structure and magnetic behavior of a croconato bridged Cu(ii) complex: effect of C‒H⋯O interaction in controlling the coordination bond formation in organic‒inorganic hybrid","CrystEngComm","2005","7","102","616","","10.1039/b511251f","","","0.71073","MoKα","","0.1282","0.0563","","","0.1252","0.1396","","","","","","0.885","","","","has coordinates","244070","2020-10-21","18:00:00",""
"7238107","7.9398","0.001","8.2908","0.0011","8.5591","0.0011","83.699","0.002","87.174","0.002","86.834","0.002","558.63","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","cis-dichloro[2-(phenylselanyl)ethanamine]platinum(II)","","- C8 H11 Cl2 N Pt Se -","- C8 H11 Cl2 N Pt Se -","- C16 H22 Cl4 N2 Pt2 Se2 -","2","1","","Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David","Hydrogen-bonded networks from novel platinum(ii) dimers","CrystEngComm","2005","7","115","701","","10.1039/b511536a","","","0.71073","MoKα","","0.0323","0.0303","","","0.0783","0.0794","","","","","","1.043","","","","has coordinates","244071","2020-10-21","18:00:00",""
"7238108","10.5679","0.0008","10.7752","0.0009","11.4873","0.0009","90","","98.485","0.001","90","","1293.76","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dichloro[2-benzylselanyl)ethanamine]platinum(II)","","- C9 H13 Cl2 N Pt Se -","- C9 H13 Cl2 N Pt Se -","- C36 H52 Cl8 N4 Pt4 Se4 -","4","1","","Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David","Hydrogen-bonded networks from novel platinum(ii) dimers","CrystEngComm","2005","7","115","701","","10.1039/b511536a","","","0.71073","MoKα","","0.0516","0.0469","","","0.1102","0.1115","","","","","","1.047","","","","has coordinates","244071","2020-10-21","18:00:00",""
"7238109","16.199","0.003","23.421","0.003","8.289","0.002","90","","90","","90","","3144.8","1","294","","","","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C22 H31 Cl2 Fe N10 O6.5 -","- C22 H26 Cl2.5 Fe N10 O6 -","- C88 H104 Cl10 Fe4 N40 O24 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.063","","","","0.073","","","","","","1.91","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238110","11.733","0.002","11.733","0.002","20.664","0.004","90","","90","","90","","2844.7","0.9","294","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C18 H26 Cl2 Fe N14 O6 -","- C18 H14 Cl2 Fe N14 O6 -","- C72 H56 Cl8 Fe4 N56 O24 -","4","0.25","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.071","","","","0.105","","","","","","1.7","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238111","16.299","0.004","23.473","0.005","8.339","0.002","90","","90","","90","","3190.4","1.3","294","","","","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C22 H31 Cl2 N10 O6.5 Ru -","- C22 H26 Cl2.5 N10 O6 Ru -","- C88 H104 Cl10 N40 O24 Ru4 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.052","","","","0.067","","","","","","1.95","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238112","8.836","0.003","20.969","0.004","17.825","0.004","90","","91.26","0.02","90","","3301.9","1.5","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl2 N6 O6 Ru -","- C30 H22 Cl7 N6 O Ru -","- C120 H88 Cl28 N24 O4 Ru4 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.056","","","","0.069","","","","","","1.87","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238113","9.6207","0.0003","11.1229","0.0003","11.5791","0.0003","75.102","0.001","73.232","0.001","71.184","0.001","1104.44","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.85 P -","- C24 H24 Cl O3.85 P -","- C48 H48 Cl2 O7.7 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0376","0.0337","","","0.0919","0.0943","","","","","","1.07","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238114","9.6277","0.0011","11.1642","0.0013","11.6014","0.0014","75.114","0.002","73.164","0.002","71.148","0.003","1111","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.9 P -","- C24 H24 Cl O3.9 P -","- C48 H48 Cl2 O7.8 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.071","0.0565","","","0.1307","0.1367","","","","","","1.073","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238115","9.6029","0.0006","11.128","0.0007","11.5333","0.0007","75.131","0.001","73.415","0.001","71.343","0.001","1100.42","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.73 P -","- C24 H24 Cl O3.73 P -","- C48 H48 Cl2 O7.46 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.047","0.0406","","","0.0996","0.1033","","","","","","1.034","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238116","9.5924","0.0005","11.1652","0.0006","11.9082","0.0006","75.233","0.001","71.189","0.001","70.977","0.001","1125.23","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium bromide, hydrogenperoxide water solvate","","- C24 H24 Br O3.84 P -","- C24 H24 Br O3.84 P -","- C48 H48 Br2 O7.68 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0509","0.035","","","0.0765","0.0811","","","","","","1.03","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238117","10.8495","0.0006","16.3505","0.0009","12.8342","0.0007","90","","91.889","0.001","90","","2275.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylphosphonium bromide, hydrogenperoxide water solvate","","- C24 H24 Br O3.5 P -","- C24 H24 Br O3.5 P -","- C96 H96 Br4 O14 P4 -","4","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0689","0.0376","","","0.0829","0.0908","","","","","","0.985","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238118","9.6626","0.0006","11.1999","0.0007","11.5831","0.0008","75.261","0.001","73.801","0.001","71.866","0.001","1124.51","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylarsonium chloride, hydrogenperoxide water solvate","","- C24 H24 As Cl O3.85 -","- C24 H24 As Cl O3.85 -","- C48 H48 As2 Cl2 O7.7 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.028","0.0258","","","0.0633","0.0642","","","","","","1.062","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238119","10.4668","0.0003","15.9259","0.0004","13.1947","0.0003","90","","101.444","0.001","90","","2155.74","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylarsonium chloride, hydrogenperoxide solvate","","- C24 H23 As Cl O3 -","- C24 H23 As Cl O3 -","- C96 H92 As4 Cl4 O12 -","4","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0358","0.0277","","","0.0715","0.0744","","","","","","1.055","","","","has coordinates","244073","2020-10-21","18:00:00",""
"7238120","10.8149","0.0002","12.7601","0.0003","15.4838","0.0004","82.691","0.001","80.994","0.001","86.723","0.001","2091.75","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylarsonium chloride, hydrogenperoxide water solvate","","- C24 H22 As Cl O1.98 -","- C24 H22 As Cl O1.98 -","- C96 H88 As4 Cl4 O7.92 -","4","2","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0482","0.0322","","","0.0761","0.0805","","","","","","0.983","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238121","9.771","0.003","10.467","0.006","11.703","0.007","99.62","0.03","101.62","0.04","117.14","0.03","996.2","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.0718","0.0485","","","0.1172","0.1406","","","","","","0.932","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238122","12.007","0.006","9.772","0.005","21.546","0.011","90","","98.194","0.003","90","","2502","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bis(4-hydroxy-3,5-dimethylphenyl)(4-formylphenyl)methane: benzene inclusion","","","- C30 H30 O3 -","- C30 H30 O3 -","- C120 H120 O12 -","4","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1301","0.073","","","0.1912","0.2459","","","","","","1.014","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238123","12.11","0.004","9.815","0.003","21.26","0.006","90","","97.277","0.002","90","","2506.6","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(4-hydroxy-3,5-dimethylphenyl)(4-nitrophenyl)methane with benzene","","","- C28 H28 N O4 -","- C29 H29 N O4 -","- C116 H116 N4 O16 -","4","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1362","0.0626","","","0.1606","0.1966","","","","","","1.021","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238124","35.873","0.002","35.873","0.002","6.108","0.01","90","","90","","120","","6807","11","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","Bis(4-hydroxyphenyl)phenylmethane","Bis(4-hydroxyphenyl)phenylmethane","","- C114 H98 O13 -","- C19 H16 O2.16667 -","- C342 H288 O39 -","18","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.0751","0.0572","","","0.1643","0.1841","","","","","","1.037","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238125","11.482","0.012","11.739","0.011","12.465","0.013","62.491","0.006","63.027","0.006","62.88","0.006","1262","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(4-hydroxy-2,6-dimethylphenyl)(4- aminophenyl)methane:Toluene solvate","","","- C30 H33 N O2 -","- C20 H22 N0.666667 O1.33333 -","- C60 H66 N2 O4 -","3","1.5","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1293","0.0794","","","0.2325","0.262","","","","","","1.151","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238126","9.692","0.002","11.739","0.003","12.104","0.007","112.155","0.003","101.102","0.004","91.062","0.004","1245.3","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","(Bis(4-hydroxy-3,5-dimethylphenyl)(4-hydroxyphenyl))methane","","","- C30 H32 O3 -","- C30 H31 O3 -","- C60 H62 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.081","0.0663","","","0.1893","0.2065","","","","","","1.045","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238127","5.331","0.004","14.537","0.013","15.166","0.014","85.576","0.006","88.042","0.006","85.168","0.006","1167.2","1.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(((4-hydroxy-3,5-dimethylphenyl)methyl)phenyl)nicotinamide","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1312","0.0797","","","0.0978","0.1503","","","","","","0.872","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238128","7.746","0.004","10.408","0.005","12.556","0.007","90","","100.061","0.008","90","","996.7","0.9","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(3aR*,4R*,5S*,6R*,7S*,7aR*)perhydro-3a,4,5,6,7,7a-indenehexaol","(3aR*,4R*,5S*,6R*,7S*,7aR*)perhydro-3a,4,5,6,7,7a-indenehexaol","","- C9 H16 O6 -","- C9 H16 O6 -","- C36 H64 O24 -","4","1","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.0386","0.0359","","","0.0978","0.0996","","","","","","1.03","","","","has coordinates","244075","2020-10-21","18:00:00",""
"7238129","6.1134","0.0013","7.6139","0.0013","11.668","0.002","102.319","0.003","97.916","0.003","91.829","0.002","524.49","0.17","295","2","296","2","","","","","","","","3","P -1","-P 1","2","annulated myo-inositol","(1R*,2R*,3R*,4S*,4aR*,8aR*)perhydro-1,2,3,4,4a,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C20 H36 O12 -","2","1","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.1005","0.0577","","","0.1353","0.1549","","","","","","1.017","","","","has coordinates","244075","2020-10-21","18:00:00",""
"7238130","12.559","0.004","12.916","0.004","13.86","0.004","87.959","0.006","87.627","0.006","70.606","0.006","2118.3","1.1","292","2","292","2","","","","","","","","3","P -1","-P 1","2","annulated chiro-inositol","(1R*,2S*,3R*,4S*,4aR*,8aR*)perhydro-1,2,3,4,4a,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C80 H144 O48 -","8","4","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.0916","0.0499","","","0.1116","0.1294","","","","","","0.967","","","","has coordinates","244075","2020-10-21","18:00:00",""
"7238131","13.7281","0.0005","10.14","0.0004","13.8928","0.0006","90","","118.578","0.001","90","","1698.3","0.12","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-alanine acetonitrile solvate 0.85 hydrate","L-Valyl-L-alanine acetonitrile solvate 0.85 hydrate","","- C8.67 H17.57 N2.33 O3.29 -","- C8.66667 H17.574 N2.33333 O3.287 -","- C52 H105.444 N14 O19.722 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0436","0.0373","","","0.0928","0.0962","","","","","","1.059","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238132","14.4539","0.0018","14.4539","0.0018","9.996","0.003","90","","90","","120","","1808.5","0.6","105","2","105","2","","","","","","","","4","P 61","P 61","169","L-Valyl-L-alanine","L-Valyl-L-alanine","","- C8.41 H16 N2 O3 -","- C8.411 H16 N2 O3 -","- C50.466 H96 N12 O18 -","6","1","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0564","0.0393","","","0.0875","0.0958","","","","","","1.11","","","","has coordinates","244076","2020-10-21","18:00:00",""
"7238133","14.0668","0.0013","9.8053","0.001","14.1915","0.0014","90","","116.172","0.002","90","","1756.7","0.3","105","2","105","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Valyl-L-serine trifluoroethanol solvate","L-Valyl-L-serine trifluoroethanol solvate","","- C8.28 H16 F0.85 N2 O4.13 -","- C8.27967 H16 F0.855 N2 O4.12933 -","- C49.678 H96 F5.13 N12 O24.776 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0601","0.0455","","","0.1135","0.1213","","","","","","1.139","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238134","14.0999","0.0014","9.814","0.001","14.2142","0.0014","90","","116.14","0.002","90","","1765.7","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-serine trifluoroethanol solvate","L-Valyl-L-serine trifluoroethanol solvate","","- C8.55 H15.94 N2 O4.08 -","- C8.56233 H15.9407 N2 O4.086 -","- C51.374 H95.644 N12 O24.516 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0598","0.0389","","","0.0908","0.1","","","","","","1.114","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238135","13.687","0.004","15.018","0.004","17.572","0.005","82.449","0.005","75.466","0.005","62.991","0.005","3114.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H50 Mn2 N6 O8 -","- C76 H50 Mn2 N6 O8 -","- C152 H100 Mn4 N12 O16 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.1503","0.0576","","","0.0918","0.1175","","","","","","0.946","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238136","12.203","0.004","21.137","0.004","10.774","0.004","90","","90","","90","","2779","1.5","293","2","293","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C30 H24 Mn N6 O4 -","- C30 H24 Mn N6 O4 -","- C120 H96 Mn4 N24 O16 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.0767","0.0403","","","0.0897","0.1089","","","","","","1.021","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238137","12.0122","0.0018","10.5592","0.0015","25.048","0.004","90","","90","","90","","3177.1","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H28 Mn N6 O4 -","- C38 H28 Mn N6 O4 -","- C152 H112 Mn4 N24 O16 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.0682","0.036","","","0.0886","0.0984","","","","","","1.035","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238138","8.6036","0.001","12.7431","0.0015","14.4016","0.0016","90","","90","","90","","1578.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C56 H40 Cl16 N8 O8 -","8","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0468","0.0309","","","0.0784","0.085","","","","","","1.045","","","","has coordinates","244078","2020-10-21","18:00:00",""
"7238139","4.3539","0.0008","13.406","0.003","14.073","0.003","90","","92.616","0.004","90","","820.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C28 H20 Cl8 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0646","0.0485","","","0.1443","0.1573","","","","","","0.974","","","","has coordinates","244078","2020-10-21","18:00:00",""
"7238140","8.4446","0.0002","12.9028","0.0003","14.4186","0.0003","90","","90","","90","","1571.04","0.06","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,6-chloromethyl-N-phenylformamide","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0454","0.0405","","","0.1049","0.1086","","","","","","1.06","","","","has coordinates,has disorder","244078","2020-10-21","18:00:00",""
"7238141","13.498","0.003","4.3186","0.001","14.938","0.003","90","","111.365","0.004","90","","810.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","2,6-chloromethyl-N-phenylformamide","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0506","0.0395","","","0.1021","0.1111","","","","","","1.053","","","","has coordinates,has disorder","244078","2020-10-21","18:00:00",""
"7238142","4.5023","0.0004","8.5886","0.0008","21.297","0.002","90","","90","","90","","823.52","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-dimethyl-N-phenylformamide","","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0348","0.031","","","0.1001","0.1074","","","","","","0.664","","","","has coordinates","244078","2020-10-21","18:00:00",""
"8000000","8.5547","0.0014","13.8816","0.0014","13.5666","0.0013","90","","96.041","0.01","90","","1602.1","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C6 H22 Cd0.5 Cl3 Co N5 O4 S -","- C6 H22 Cd0.5 Cl3 Co N5 O4 S -","- C24 H88 Cd2 Cl12 Co4 N20 O16 S4 -","4","1","","Takashi Aridomi; Tatsuya Kawamoto; Asako Igashira-Kamiyama; Takumi Konno","The First S-Bridged CoIIICdIICoIII and CoIIICdII2CoIII Structures Controlled by Chirality of Mono(thiolato)-Type Cobalt(III) Units","Chemistry Letters","2005","34","3","292","","10.1246/cl.2005.292","","","0.71069","MoKα","","0.153","0.0435","","","0.0956","0.123","","","","","","0.969","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000001","14.195","0.0016","14.195","0.0016","31.337","0.003","90","","90","","120","","5468.4","1","296","2","296","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C12 H46 Cd2 Cl8 Co2 N10 O3 S2 -","- C12 H44 Cd2 Cl8.12 Co2 N10 O2.75 S2 -","- C72 H264 Cd12 Cl48.72 Co12 N60 O16.5 S12 -","6","1","","Takashi Aridomi; Tatsuya Kawamoto; Asako Igashira-Kamiyama; Takumi Konno","The First S-Bridged CoIIICdIICoIII and CoIIICdII2CoIII Structures Controlled by Chirality of Mono(thiolato)-Type Cobalt(III) Units","Chemistry Letters","2005","34","3","292","","10.1246/cl.2005.292","","","0.71069","MoKα","","0.0679","0.0384","","","0.1047","0.116","","","","","","1.041","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000002","10.712","0.004","24.531","0.009","10.555","0.003","100.53","0.03","93.3","0.03","95.39","0.03","2706","1","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H39 Co N11 O4 -","- C76 H39 Co N11 O4 -","- C152 H78 Co2 N22 O8 -","2","1","","Takehiro Asari; Manabu Ishikawa; Toshio Naito; Masaki Matsuda; Hiroyuki Tajima; Tamotsu Inabe","Nearly Isotropic Two-dimensional Sheets in a Partially Oxidized Co(Pc)(CN)2 Salt (Pc =phthalocyaninato)","Chemistry Letters","2005","34","7","936","","10.1246/cl.2005.936","","","0.7107","MoKα","","","0.056","","","","0.0473","","","","","","4.485","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000003","10.6825","0.0008","17.7751","0.0007","10.4059","0.0004","99.743","0.007","93.061","0.002","90.994","0.001","1943.9","0.2","99.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C116 H59 Co N11 O8 -","- C116 Co N11 O8 -","- C116 Co N11 O8 -","1","0.5","","Takehiro Asari; Manabu Ishikawa; Toshio Naito; Masaki Matsuda; Hiroyuki Tajima; Tamotsu Inabe","Nearly Isotropic Two-dimensional Sheets in a Partially Oxidized Co(Pc)(CN)2 Salt (Pc =phthalocyaninato)","Chemistry Letters","2005","34","7","936","","10.1246/cl.2005.936","","","0.7107","MoKα","","","0.0959","","","","0.1139","","","","","","3.285","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000004","10.511","0.002","13.005","0.003","9.772","0.002","90","","90","","90","","1335.8","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-Ethyl-4-dialkyamino-1,8-naphthalimide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Sandip Banthia; Anunay Samanta","Influence of Structure on the Unusual Spectral Behavior of 4-Dialkylamino-1,8-naphthalimide","Chemistry Letters","2005","34","5","722","","10.1246/cl.2005.722","","x-ray","0.71073","MoKα","","0.0797","0.0473","","","0.0966","0.1111","","","","","","1.039","","","","has coordinates","277875","2022-09-15","11:59:39",""
"8000005","12.734","0.003","15.289","0.003","21.844","0.004","90","","90","","90","","4253","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H29 Cl Fe N8 O4 -","- C18 H29 Cl Fe N8 O4 -","- C144 H232 Cl8 Fe8 N64 O32 -","8","1","","Nicolas Bréfuel; Sergiu Shova; Jean-Pierre Tuchagues; Naohide Matsumoto","An Abrupt Spin Crossover FeII Complex Based on Homochiral Chain","Chemistry Letters","2005","34","8","1092","","10.1246/cl.2005.1092","","","0.71073","MoKα","","0.0593","0.0465","","","0.1132","0.1188","","","","","","1.01","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8000006","13.306","0.003","15.655","0.003","21.288","0.004","90","","90","","90","","4434.4","1.5","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H29 Cl Fe N8 O4 -","- C18 H29 Cl Fe N8 O4 -","- C144 H232 Cl8 Fe8 N64 O32 -","8","1","","Nicolas Bréfuel; Sergiu Shova; Jean-Pierre Tuchagues; Naohide Matsumoto","An Abrupt Spin Crossover FeII Complex Based on Homochiral Chain","Chemistry Letters","2005","34","8","1092","","10.1246/cl.2005.1092","","","0.71073","MoKα","","0.0983","0.0431","","","0.0717","0.0879","","","","","","0.997","","","","has coordinates,has disorder","277875","2022-09-15","11:59:40",""
"8000007","23.109","0.001","26.16","0.001","36.85","0.001","90","","90","","90","","22276","1","223.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C114 H88 Co5 O19 -","- C114 H88 Co5 O19 -","- C912 H704 Co40 O152 -","8","1","","Ho-Chol Chang; Nao Nishida; Susumu Kitagawa","Formation of a Ligand-based Mixed-valence Cluster Triggered by Dehydration Condensation of Semiquinonates with o-Phenylenediamines","Chemistry Letters","2005","34","3","402","","10.1246/cl.2005.402","","","0.7107","MoKα","","","0.104","","","","0.2654","","","","","","2.08","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000008","16.155","0.002","15.088","0.003","17.174","0.002","90","","112.312","0.009","90","","3872.8","1","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C14 H56 Cl4 Co2 N6 O7 Pd S6 -","- C14 H56 Cl4 Co2 N6 O7 Pd S6 -","- C56 H224 Cl16 Co8 N24 O28 Pd4 S24 -","4","2","","Yu Chikamoto; Masakazu Hirotsu; Tatsuya Kawamoto; Takumi Konno","Alkylation of Nonbridging Thiolato Groups in an S-bridged CoIIIPdIICoIII Trinuclear Complex: Control of Geometrical Isomerism by Tuning Trans Influence Due to Sulfur Donors","Chemistry Letters","2005","34","3","362","","10.1246/cl.2005.362","","","0.71069","MoKα","","0.1803","0.0327","","","0.1016","0.1555","","","","","","0.916","","","","has coordinates","210358","2020-10-21","18:00:00",""
"8000009","13.024","0.002","16.762","0.003","12.618","0.002","111.309","0.014","98.741","0.015","104.056","0.014","2399.8","0.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H68 Cl4 Co2 N6 O9 Pd S6 -","- C26 H50 Cl4 Co2 N6 O9 Pd S6 -","- C52 H100 Cl8 Co4 N12 O18 Pd2 S12 -","2","1","","Yu Chikamoto; Masakazu Hirotsu; Tatsuya Kawamoto; Takumi Konno","Alkylation of Nonbridging Thiolato Groups in an S-bridged CoIIIPdIICoIII Trinuclear Complex: Control of Geometrical Isomerism by Tuning Trans Influence Due to Sulfur Donors","Chemistry Letters","2005","34","3","362","","10.1246/cl.2005.362","","","0.71069","MoKα","","0.1497","0.0586","","","0.1629","0.2015","","","","","","1.039","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000010","7.834","0.005","7.852","0.005","13.105","0.005","81.09","0.005","88.966","0.005","62.259","0.005","703.5","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 N4 -","- C15 H18 N4 -","- C30 H36 N8 -","2","1","","Yue-Zhi Cui; Qi Fang; Gang Xue; Gui-Bao Xu; Lei Yin; Wen-Tao Yu","Cooperative Enhancement of Two-photon Absorption of Multibranched Compounds with Vinylenes Attaching to the s-Triazine Core","Chemistry Letters","2005","34","5","644","","10.1246/cl.2005.644","","","0.71069","MoKα","","0.2125","0.0775","","","0.1951","0.2641","","","","","","0.932","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000011","6.528","0.005","7.994","0.005","20.615","0.005","90","0.005","92.192","0.005","90","0.005","1075","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H27 N5 -","- C24 H27 N5 -","- C48 H54 N10 -","2","1","","Yue-Zhi Cui; Qi Fang; Gang Xue; Gui-Bao Xu; Lei Yin; Wen-Tao Yu","Cooperative Enhancement of Two-photon Absorption of Multibranched Compounds with Vinylenes Attaching to the s-Triazine Core","Chemistry Letters","2005","34","5","644","","10.1246/cl.2005.644","","","0.71069","MoKα","","0.2439","0.0636","","","0.105","0.1594","","","","","","0.872","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000012","15.363","0.0016","9.2689","0.0011","18.785","0.003","90","","97.508","0.009","90","","2652","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 N5 -","- C30 H35 N5 -","- C120 H140 N20 -","4","1","","Yue-Zhi Cui; Qi Fang; Gang Xue; Gui-Bao Xu; Lei Yin; Wen-Tao Yu","Cooperative Enhancement of Two-photon Absorption of Multibranched Compounds with Vinylenes Attaching to the s-Triazine Core","Chemistry Letters","2005","34","5","644","","10.1246/cl.2005.644","","","0.71073","MoKα","","0.3181","0.1025","","","0.2274","0.3128","","","","","","1.017","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000013","12.168","0.003","27.046","0.007","7.354","0.002","90","","103","0.01","90","","2358.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N5 Ni S4 -","- C22 H14 N5 Ni S4 -","- C88 H56 N20 Ni4 S16 -","4","1","","Dongbin Dang; Chunlin Ni; Yan Bai; Zhengfang Tian; Zhaoping Ni; Lili Wen; Qingjin Meng; Song Gao","Peculiar Magnetic Transition Behaviour Around 208 K in One-dimensional Nickel(III) Chain Complex [1-(4'-Vinylbenzyl)pyridinium][Ni(mnt)2] (mnt2‒ =Maleonitriledithiolate)","Chemistry Letters","2005","34","5","680","","10.1246/cl.2005.680","","","0.71073","MoKα","","0.1403","0.0762","","","0.158","0.1795","","","","","","1.003","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000014","14.2137","0.0015","28.849","0.003","19.059","0.002","90","","107.455","0.002","90","","7455.2","1.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 Mo36 N8 O162 -","- C12 Mo36 N8 O162 -","- C24 Mo72 N16 O324 -","2","0.5","","Kazuo Eda; Yuichi Iriki","Crystal Engineering with [Mo36O112(H2O)16]8- Anion as Nanosized Building Block","Chemistry Letters","2005","34","4","612","","10.1246/cl.2005.612","","","0.71073","MoKα","","0.083","0.0509","","","0.1176","0.1358","","","","","","1.062","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000015","14.821","0.003","14.969","0.003","17.694","0.004","98.403","0.004","104.677","0.003","106.473","0.003","3539.6","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 Mo36 N8 O138 -","- C20 Mo36 N8 O138 -","- C20 Mo36 N8 O138 -","1","0.5","","Kazuo Eda; Yuichi Iriki","Crystal Engineering with [Mo36O112(H2O)16]8- Anion as Nanosized Building Block","Chemistry Letters","2005","34","4","612","","10.1246/cl.2005.612","","","0.71073","MoKα","","0.0782","0.0644","","","0.1567","0.1691","","","","","","1.108","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8000016","15.445","0.004","17.21","0.004","18.456","0.005","63.653","0.004","67.259","0.004","80.343","0.004","4054.3","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 Mo36 N8 O160 -","- C28 Mo36 N8 O160 -","- C28 Mo36 N8 O160 -","1","0.5","","Kazuo Eda; Yuichi Iriki","Crystal Engineering with [Mo36O112(H2O)16]8- Anion as Nanosized Building Block","Chemistry Letters","2005","34","4","612","","10.1246/cl.2005.612","","","0.71073","MoKα","","0.0794","0.0658","","","0.1539","0.1612","","","","","","1.07","","","","has coordinates,has disorder","277875","2022-09-15","11:59:40",""
"8000017","7.191","0.0014","12.953","0.003","15.284","0.003","90","","99.75","0.03","90","","1403.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O2 S6 -","- C10 H8 O2 S6 -","- C40 H32 O8 S24 -","4","1","","Yanyan Fu; Hongxiang Li; Caiming Liu; Wenping Hu; Daoben Zhu","Tetrathiafulvalene Derivatives Recognition of Copper with High Selectivity","Chemistry Letters","2005","34","7","1020","","10.1246/cl.2005.1020","","","0.71073","MoKα","","0.0356","0.0292","","","0.0778","0.08","","","","","","1.041","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000018","7.4028","0.0003","8.1907","0.0003","11.2311","0.0004","72.947","0.001","72.088","0.001","66.845","0.001","584.11","0.04","168","2","168","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","","Manabu Hoshino; Akiko Sekine; Hidehiro Uekusa; Yuji Ohashi","X-ray Analysis of Bond Elongation in VO(acac)2 at the Excited State","Chemistry Letters","2005","34","9","1228","","10.1246/cl.2005.1228","","","0.71073","MoKα","","0.0339","0.0296","","","0.0847","0.0864","","","","","","1.046","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000019","7.4077","0.0001","8.1943","0.0001","11.2383","0.0002","72.973","0.001","72.127","0.001","66.86","0.001","585.35","0.02","168","2","168","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","","Manabu Hoshino; Akiko Sekine; Hidehiro Uekusa; Yuji Ohashi","X-ray Analysis of Bond Elongation in VO(acac)2 at the Excited State","Chemistry Letters","2005","34","9","1228","","10.1246/cl.2005.1228","","","0.71073","MoKα","","0.0329","0.029","","","0.0839","0.0851","","","","","","1.055","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000020","7.3913","0.0002","8.1844","0.0001","11.227","0.0002","72.941","0.001","72.127","0.001","66.883","0.001","582.77","0.02","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","","Manabu Hoshino; Akiko Sekine; Hidehiro Uekusa; Yuji Ohashi","X-ray Analysis of Bond Elongation in VO(acac)2 at the Excited State","Chemistry Letters","2005","34","9","1228","","10.1246/cl.2005.1228","","","0.71073","MoKα","","0.0319","0.0282","","","0.0824","0.0836","","","","","","1.059","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000021","7.403","0.0002","8.1975","0.0002","11.2417","0.0003","72.96","0.001","72.137","0.001","66.883","0.001","585.46","0.03","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","","Manabu Hoshino; Akiko Sekine; Hidehiro Uekusa; Yuji Ohashi","X-ray Analysis of Bond Elongation in VO(acac)2 at the Excited State","Chemistry Letters","2005","34","9","1228","","10.1246/cl.2005.1228","","","0.71073","MoKα","","0.0321","0.0281","","","0.0814","0.0827","","","","","","1.067","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000022","7.3721","0.0002","8.1685","0.0002","11.211","0.0003","72.932","0.001","72.199","0.001","66.924","0.001","579.62","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","","Manabu Hoshino; Akiko Sekine; Hidehiro Uekusa; Yuji Ohashi","X-ray Analysis of Bond Elongation in VO(acac)2 at the Excited State","Chemistry Letters","2005","34","9","1228","","10.1246/cl.2005.1228","","","0.71073","MoKα","","0.031","0.0277","","","0.0797","0.0807","","","","","","1.071","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000023","7.3863","0.0002","8.1844","0.0003","11.232","0.0003","72.92","0.001","72.167","0.001","66.887","0.001","582.71","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","","Manabu Hoshino; Akiko Sekine; Hidehiro Uekusa; Yuji Ohashi","X-ray Analysis of Bond Elongation in VO(acac)2 at the Excited State","Chemistry Letters","2005","34","9","1228","","10.1246/cl.2005.1228","","","0.71073","MoKα","","0.0307","0.0276","","","0.0794","0.0804","","","","","","1.081","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000024","7.3581","0.0002","8.1585","0.0003","11.2035","0.0002","72.898","0.002","72.199","0.002","66.95","0.002","577.45","0.03","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","","Manabu Hoshino; Akiko Sekine; Hidehiro Uekusa; Yuji Ohashi","X-ray Analysis of Bond Elongation in VO(acac)2 at the Excited State","Chemistry Letters","2005","34","9","1228","","10.1246/cl.2005.1228","","","0.71073","MoKα","","0.0307","0.0276","","","0.0809","0.082","","","","","","1.078","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000025","7.3759","0.0002","8.1787","0.0003","11.2308","0.0004","72.902","0.001","72.193","0.001","66.906","0.001","581.52","0.03","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","","Manabu Hoshino; Akiko Sekine; Hidehiro Uekusa; Yuji Ohashi","X-ray Analysis of Bond Elongation in VO(acac)2 at the Excited State","Chemistry Letters","2005","34","9","1228","","10.1246/cl.2005.1228","","","0.71073","MoKα","","0.0306","0.0276","","","0.0799","0.0808","","","","","","1.071","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000026","7.3529","0.0001","8.1521","0.0002","11.1916","0.0002","72.886","0.001","72.175","0.001","66.911","0.001","575.74","0.02","141","2","141","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","","Manabu Hoshino; Akiko Sekine; Hidehiro Uekusa; Yuji Ohashi","X-ray Analysis of Bond Elongation in VO(acac)2 at the Excited State","Chemistry Letters","2005","34","9","1228","","10.1246/cl.2005.1228","","","0.71073","MoKα","","0.0286","0.0256","","","0.0754","0.0763","","","","","","1.074","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000027","7.3731","0.0002","8.1726","0.0002","11.2215","0.0001","72.842","0.001","72.124","0.001","66.866","0.001","579.92","0.02","141","2","141","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","","Manabu Hoshino; Akiko Sekine; Hidehiro Uekusa; Yuji Ohashi","X-ray Analysis of Bond Elongation in VO(acac)2 at the Excited State","Chemistry Letters","2005","34","9","1228","","10.1246/cl.2005.1228","","","0.71073","MoKα","","0.0285","0.0254","","","0.0746","0.0755","","","","","","1.065","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000028","16.939","0.003","17.258","0.003","17.564","0.0018","90","","102.831","0.007","90","","5006.3","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H41 B Cl3 F20 N2 Si3 -","- C42 H41 B Cl3 F20 N2 Si3 -","- C168 H164 B4 Cl12 F80 N8 Si12 -","4","1","","Shintaro Ishida; Tohru Nishinaga; Koichi Komatsu","The First Isolation of 1,3-Diaza-2-sila-4-cyclopentene Radical Cation Salt: The X-ray Structure and Electronic Properties","Chemistry Letters","2005","34","4","486","","10.1246/cl.2005.486","","","0.71069","MoKα","","0.0609","0.045","","","0.1132","0.1205","","","","","","1.037","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000029","21.3922","0.0005","21.3922","0.0005","21.3922","0.0005","90","","90","","90","","9789.7","0.4","296.2","","296.2","","","","","","","","","7","F 2 3","F 2 2 3","196","bis{bis(L-prolinato)cobaltl(III)}tetrakis{bis(L-prolinato)cobaltl(II)} barium(II) perchlorate","","","- C60 H96 Ba Cl4 Co6 N12 O40 -","- C60 H96 Ba Cl4 Co6 N12 O40 -","- C240 H384 Ba4 Cl16 Co24 N48 O160 -","4","0.0833333","","Takashi Komiyama; Satoshi Igarashi; Yoshimasa Hoshino; Yasuhiko Yukawa","Changing Mixed-valence State of Hexacobalt Cluster by Substituting Central Metal Ion and by Electrochemical Reduction ‒ Different Mixed-valence States of [M{Co(prolinato)2}6]4+ (M =Ba2+ and La3+)","Chemistry Letters","2005","34","3","300","","10.1246/cl.2005.300","","","0.7107","MoKα","","","0.0468","","","","0.0682","","","","","","1.05","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000030","21.3387","0.0005","21.3387","0.0005","21.3387","0.0005","90","","90","","90","","9716.4","0.4","296.2","","296.2","","","","","","","","","7","F 2 3","F 2 2 3","196","{bis(L-prolinato)cobaltl(III)}pentakis{bis(L-prolinato)cobaltl(II)} Lanthanum(III) perchlorate","","","- C60 H96 Cl4 Co6 La N12 O40 -","- C60 H96 Cl4 Co6 La N12 O40 -","- C240 H384 Cl16 Co24 La4 N48 O160 -","4","0.0833333","","Takashi Komiyama; Satoshi Igarashi; Yoshimasa Hoshino; Yasuhiko Yukawa","Changing Mixed-valence State of Hexacobalt Cluster by Substituting Central Metal Ion and by Electrochemical Reduction ‒ Different Mixed-valence States of [M{Co(prolinato)2}6]4+ (M =Ba2+ and La3+)","Chemistry Letters","2005","34","3","300","","10.1246/cl.2005.300","","","0.7107","MoKα","","","0.0494","","","","0.0714","","","","","","0.918","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000031","21.6417","0.0004","21.6417","0.0004","21.6417","0.0004","90","","90","","90","","10136.2","0.3","296.2","","296.2","","","","","","","","","7","F 2 3","F 2 2 3","196","hexakis{bis(L-prolinato)cobalt(II)}barium(II) tetramethylammonium perchlorate","","","- C68 H120 Ba Cl4 Co6 N14 O40 -","- C68 H120 Ba Cl4 Co6 N14 O40 -","- C272 H480 Ba4 Cl16 Co24 N56 O160 -","4","0.0833333","","Takashi Komiyama; Satoshi Igarashi; Yoshimasa Hoshino; Yasuhiko Yukawa","Changing Mixed-valence State of Hexacobalt Cluster by Substituting Central Metal Ion and by Electrochemical Reduction ‒ Different Mixed-valence States of [M{Co(prolinato)2}6]4+ (M =Ba2+ and La3+)","Chemistry Letters","2005","34","3","300","","10.1246/cl.2005.300","","","0.7107","MoKα","","","0.0485","","","","0.0639","","","","","","0.883","","","","has coordinates","198637","2020-10-21","18:00:00",""
"8000032","21.338","0.001","21.338","0.001","21.338","0.001","90","","90","","90","","9714.8","0.8","296.2","","296.2","","","","","","","","","7","F 2 3","F 2 2 3","196","hexakis{bis(L-prolinato)cobalt(II)}lanthanum(III) tetramethylammonium perchlorate","","","- C64 H108 Cl4 Co6 La N13 O40 -","- C64 H108 Cl4 Co6 La N13 O40 -","- C256 H432 Cl16 Co24 La4 N52 O160 -","4","0.0833333","","Takashi Komiyama; Satoshi Igarashi; Yoshimasa Hoshino; Yasuhiko Yukawa","Changing Mixed-valence State of Hexacobalt Cluster by Substituting Central Metal Ion and by Electrochemical Reduction ‒ Different Mixed-valence States of [M{Co(prolinato)2}6]4+ (M =Ba2+ and La3+)","Chemistry Letters","2005","34","3","300","","10.1246/cl.2005.300","","","0.7107","MoKα","","","0.043","","","","0.0572","","","","","","0.921","","","","has coordinates","198637","2020-10-21","18:00:00",""
"8000033","12.578","0.002","9.806","0.002","9.623","0.001","90","","93.45","0.01","90","","1184.7","0.3","296.1","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Au2 Cl2 N4 Ni2 O8 S4 -","- C8 H24 Au2 Cl2 N4 Ni2 O8 S4 -","- C16 H48 Au4 Cl4 N8 Ni4 O16 S8 -","2","0.5","","Takumi Konno; Masafumi Usami; Atsushi Toyota; Masakazu Hirotsu; Tatsuya Kawamoto","Sulfur-bridged Linkage of [Ni(thiolato)2(amine)2]-type Complexes with Linear Gold(I) Ions Assisted by Aurophilic Interaction","Chemistry Letters","2005","34","8","1146","","10.1246/cl.2005.1146","","","0.7107","MoKα","","","0.029","","","","0.101","","","","","","0.787","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8000034","23.8755","0.0007","14.4047","0.0007","17.8405","0.0006","90","","104.897","0.001","90","","5929.5","0.4","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 Au4 B4 F16 N8 Ni4 S8 -","- C32 H56 Au4 B4 F16 N8 Ni4 S8 -","- C128 H224 Au16 B16 F64 N32 Ni16 S32 -","4","0.5","","Takumi Konno; Masafumi Usami; Atsushi Toyota; Masakazu Hirotsu; Tatsuya Kawamoto","Sulfur-bridged Linkage of [Ni(thiolato)2(amine)2]-type Complexes with Linear Gold(I) Ions Assisted by Aurophilic Interaction","Chemistry Letters","2005","34","8","1146","","10.1246/cl.2005.1146","","","0.71069","MoKα","","0.0903","0.0505","","","0.1073","0.1289","","","","","","1.039","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000035","19.153","0.006","12.397","0.004","25.539","0.004","90","","90.742","0.011","90","","6063","3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H55 Cl4 N13 O16 Ru2 S2 -","- C50 H55 Cl4 N13 O16 Ru2 S2 -","- C200 H220 Cl16 N52 O64 Ru8 S8 -","4","1","","Noriyuki Matsuura; Asako Igashira-Kamiyama; Tatsuya Kawamoto; Takumi Konno","Meso and Racemic Isomers of a New S-Bridged Diruthenium(II) Complex with Pendant Aminoalkyl Groups","Chemistry Letters","2005","34","9","1252","","10.1246/cl.2005.1252","","","0.71075","MoKα","","0.099","0.0627","","","0.163","0.1765","","","","","","1.043","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8000036","20.673","0.002","11.733","0.002","18.113","0.003","90","","90","","90","","4393","1","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H43 N7 O6 -","- C51 H43 N7 O6 -","- C204 H172 N28 O24 -","4","1","","Tatsuya Minami; Shigeru Koyamoto; Masayuki Kobayashi; Rika Tanaka; Yasuo Hatanaka","Helical Stereocontrol of 2,6-Bis{(2-arylcarbamoylphenyl)carbamoyl}pyridine Derivatives by Use of Chiral Auxiliaries","Chemistry Letters","2005","34","3","434","","10.1246/cl.2005.434","","","1.5418","CuKα","","","0.0848","","","","0.2418","","","","","","1.807","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8000037","10.47","0.002","36.98","0.006","6.81","0.0008","90","","97.12","0.007","90","","2616.4","0.7","223.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 N2 O2 -","- C30 H35 N2 O2 -","- C120 H140 N8 O8 -","4","1","","Yozo Miura; Yoshikazu Muranaka","New Method for Preparation of Isolable N-tert-Alkoxyarylaminyl Radicals","Chemistry Letters","2005","34","4","480","","10.1246/cl.2005.480","","","0.7107","MoKa","","","0.0996","","","","0.1791","","","","","","1.68","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000038","12.8898","0.0002","17.9414","0.0003","22.3902","0.0005","81.1212","0.0008","82.9007","0.0009","72.8807","0.0016","4872.49","0.16","93","2","93","2","","","","","","","","4","P -1","-P 1","2","9-Sn_phen_dimer","","","- C86 H142 Si12 Sn2 -","- C86 H142 Si12 Sn2 -","- C172 H284 Si24 Sn4 -","2","1","","Yoshiyuki Mizuhata; Nobuhiro Takeda; Takahiro Sasamori; Norihiro Tokitoh","Generation of 9-Stannaphenanthrene and Its Reactivities","Chemistry Letters","2005","34","8","1088","","10.1246/cl.2005.1088","","","0.71069","MoKα","","0.0849","0.0451","","","0.0907","0.1015","","","","","","1.02","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8000039","9.8361","0.0009","15.5831","0.0011","21.8919","0.0017","107.957","0.003","96.281","0.003","88.936","0.007","3172.5","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","9-Sn_phen_Mes*CNO","","","- C59 H97 N O Si6 Sn -","- C59 H97 N O Si6 Sn -","- C118 H194 N2 O2 Si12 Sn2 -","2","1","","Yoshiyuki Mizuhata; Nobuhiro Takeda; Takahiro Sasamori; Norihiro Tokitoh","Generation of 9-Stannaphenanthrene and Its Reactivities","Chemistry Letters","2005","34","8","1088","","10.1246/cl.2005.1088","","","0.71069","MoKα","","0.0555","0.0309","","","0.0629","0.0907","","","","","","1.014","","","","has coordinates,has disorder","277875","2022-09-15","11:59:40",""
"8000040","13.919","0.005","16.383","0.006","14.994","0.007","90","","105.39","0.03","90","","3296","2","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H16 F10 N2 Pt -","- C36 H16 F10 N2 Pt -","- C144 H64 F40 N8 Pt4 -","4","1","","Jun-ichi Nishida; Akihiro Maruyama; Takeshi Iwata; Yoshiro Yamashita","Preparation, Characterization, and Electroluminescence Characteristics of α-Diimine-type Platinum(II) Complexes with Perfluorinated Phenyl Groups as Ligands","Chemistry Letters","2005","34","4","592","","10.1246/cl.2005.592","","","0.7107","MoKα","","","0.0415","","","","0.1305","","","","","","1.722","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000041","11.237","0.004","11.509","0.005","16.302","0.005","106.23","0.03","107.87","0.03","91.41","0.03","1912","1","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H17 Cl3 F14 N2 Pt -","- C39 H17 Cl3 F14 N2 Pt -","- C78 H34 Cl6 F28 N4 Pt2 -","2","1","","Jun-ichi Nishida; Akihiro Maruyama; Takeshi Iwata; Yoshiro Yamashita","Preparation, Characterization, and Electroluminescence Characteristics of α-Diimine-type Platinum(II) Complexes with Perfluorinated Phenyl Groups as Ligands","Chemistry Letters","2005","34","4","592","","10.1246/cl.2005.592","","","0.7107","MoKα","","","0.0538","","","","0.1585","","","","","","1.272","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000042","12.606","0.007","15.025","0.009","17.131","0.009","90","","101.31","0.05","90","","3181","3","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 F10 N2 Pt -","- C38 H20 F10 N2 Pt -","- C152 H80 F40 N8 Pt4 -","4","1","","Jun-ichi Nishida; Akihiro Maruyama; Takeshi Iwata; Yoshiro Yamashita","Preparation, Characterization, and Electroluminescence Characteristics of α-Diimine-type Platinum(II) Complexes with Perfluorinated Phenyl Groups as Ligands","Chemistry Letters","2005","34","4","592","","10.1246/cl.2005.592","","","0.7107","MoKα","","","0.0469","","","","0.1067","","","","","","0.982","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000043","30.1","0.01","15.249","0.006","16.6","0.007","90","","114.34","0.04","90","","6941","5","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H20 F14 N2 Pt -","- C40 H20 F14 N2 Pt -","- C320 H160 F112 N16 Pt8 -","8","1","","Jun-ichi Nishida; Akihiro Maruyama; Takeshi Iwata; Yoshiro Yamashita","Preparation, Characterization, and Electroluminescence Characteristics of α-Diimine-type Platinum(II) Complexes with Perfluorinated Phenyl Groups as Ligands","Chemistry Letters","2005","34","4","592","","10.1246/cl.2005.592","","","0.7107","MoKα","","","0.0303","","","","0.0769","","","","","","0.948","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000044","37.626","0.008","29.464","0.006","25.4","0.005","90","","132.258","0.003","90","","20841","8","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H86 Ag4 O9 P4 S4 -","- C102.35 H80 Ag4 O9.55 P4 S4 -","- C818.8 H640 Ag32 O76.4 P32 S32 -","8","1","","Ryusuke Noguchi; Akihiro Hara; Akiyoshi Sugie; Sawako Tanabe; Kenji Nomiya","Synthesis and Structure of a Molecular Metal Propeller with Three Leaves, a Tetranuclear Silver(I) Cluster Formed by 2-Mercaptobenzoate and Triphenylphosphine Ligands","Chemistry Letters","2005","34","4","578","","10.1246/cl.2005.578","","","0.71073","MoKα","","0.0893","0.0629","","","0.2177","0.2362","","","","","","1.041","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000045","24.463","0.006","24.463","0.006","10.063","0.004","90","","90","","120","","5215","2","90","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 H12 Cu N4 O6 -","- C5 H8 Cu N4 O8 -","- C90 H144 Cu18 N72 O144 -","18","1","","Keita Osanai; Takayuki Ishida; Takashi Nogami","Structure and Magnetic Properties of a Honeycomb-like Copper(II) Complex Containing 4-Aminopyrimidine and Methoxide Bridges","Chemistry Letters","2005","34","4","620","","10.1246/cl.2005.620","","","0.7107","MoKα","","","0.046","","","","0.085","","","","","","1.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8000046","19.495","0.002","14.145","0.002","16.379","0.003","90","","115.483","0.005","90","","4077","0.9","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H27 Cu N O3.5 -","- C20 H27 Cu N O3.5 -","- C160 H216 Cu8 N8 O28 -","8","1","","Suttinun Phongtamrug; Mikiji Miyata; Suwabun Chirachanchai","Concerted Contribution of Cu-O Coordination and Hydrogen Bonds in N,N-Bis(2-hydroxybenzyl)alkylamine-Copper-Solvent System","Chemistry Letters","2005","34","5","634","","10.1246/cl.2005.634","","","0.7107","MoKα","","","0.054","","","","0.1617","","","","","","0.841","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000047","18.972","0.001","14.075","0.001","15.806","0.001","90","","114.051","0.002","90","","3854.2","0.5","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Cu N O3.5 -","- C19 H26 Cu N O3.5 -","- C152 H208 Cu8 N8 O28 -","8","1","","Suttinun Phongtamrug; Mikiji Miyata; Suwabun Chirachanchai","Concerted Contribution of Cu-O Coordination and Hydrogen Bonds in N,N-Bis(2-hydroxybenzyl)alkylamine-Copper-Solvent System","Chemistry Letters","2005","34","5","634","","10.1246/cl.2005.634","","","0.7107","MoKα","","","0.0508","","","","0.1289","","","","","","1.074","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000048","33.277","0.0016","9.9276","0.0004","16.2019","0.0002","90","","118.459","0.002","90","","4705.7","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-bis(N-isonicotinamide)cadmium(II) -bis(/m-thiocyanato-N,N',S,S')(9,10-dichloroanthracene)","","- C21 H16 Cd Cl N6 O2 S2 -","- C21 H16 Cd Cl N6 O2 S2 -","- C168 H128 Cd8 Cl8 N48 O16 S16 -","8","1","","Ryo Sekiya; Shin-ichi Nishikiori","A New Inclusion Compound Consisting of 2D Coordination Layers of [Cd(SCN)2]∞ and Pillars of Isonicotinamide Dimers","Chemistry Letters","2005","34","8","1076","","10.1246/cl.2005.1076","","","0.71069","MoKα","","0.0443","0.0384","","0.1152","0.1115","","","","","","","1.154","","","","has coordinates,has disorder","277875","2022-09-15","11:59:40",""
"8000049","9.3757","0.0005","14.2704","0.0012","21.028","0.001","84.401","0.002","79.749","0.004","72.982","0.003","2644.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 N2 O2 Si W -","- C27 H36 N2 O2 Si W -","- C108 H144 N8 O8 Si4 W4 -","4","2","","Eiji Suzuki; Masaaki Okazaki; Hiromi Tobita","Reversible 1,2-Migration of Aryl Groups on Silyl Ligands: Formation and Properties of Silylenetungsten Complexes Stabilized by an External Base","Chemistry Letters","2005","34","7","1026","","10.1246/cl.2005.1026","","x-ray","0.71069","MoKα","","0.1278","0.1034","","","0.2395","0.2528","","","","","","1.14","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8000050","9.187","0.0002","9.7027","0.0001","16.6719","0.0005","93.026","0.003","93.875","0.002","113.821","0.003","1351.17","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 N2 O2 Si W -","- C28 H38 N2 O2 Si W -","- C56 H76 N4 O4 Si2 W2 -","2","1","","Eiji Suzuki; Masaaki Okazaki; Hiromi Tobita","Reversible 1,2-Migration of Aryl Groups on Silyl Ligands: Formation and Properties of Silylenetungsten Complexes Stabilized by an External Base","Chemistry Letters","2005","34","7","1026","","10.1246/cl.2005.1026","","","0.71069","MoKα","","0.059","0.0571","","","0.1528","0.1534","","","","","","1.378","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000051","10.09","0.002","14.549","0.004","6.27","0.003","90","","109.53","0.02","90","","867.5","0.6","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C2 H2 Ca O4 -","- C2 Ca O5 -","- C16 Ca8 O40 -","8","2","","Makoto Tadokoro; Yoshiki Ozawa; Minoru Mitsumi; Kohshiro Toriumi; Tetsuya Ogura","Raphide Crystal Structure in Agave Tequilana Determined by X-ray Originating from Synchrotron Radiation","Chemistry Letters","2005","34","2","236","","10.1246/cl.2005.236","","","0.6165","","","0.1588","0.0772","","","0.201","0.2379","","","","","","0.871","","","","has coordinates","208205","2020-10-21","18:00:00",""
"8000052","12.3463","0.0008","12.881","0.0009","14.4269","0.001","93.135","0.001","107.516","0.001","108.516","0.001","2045.9","0.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H33 Cl2 N4 O3 Re -","- C48.999 H33 Cl2 N3.999 O3 Re -","- C97.998 H66 Cl4 N7.998 O6 Re2 -","2","1","","Motoki Toganoh; Hiroyuki Furuta","Rhenium Complexes of N-Methyl N-Confused Tetraphenylporphyrin and Its Normal Isomer","Chemistry Letters","2005","34","7","1034","","10.1246/cl.2005.1034","","","0.71073","MoKα","","0.0568","0.0431","","","0.0948","0.0985","","","","","","0.912","","","","has coordinates,has disorder","277875","2022-09-15","11:59:40",""
"8000053","12.498","0.003","19.203","0.005","13.054","0.003","90","","94.15","0.01","90","","3124","1","230.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Cl2 Fe N8 O8 -","- C26 H32 Cl2 Fe N8 O8 -","- C104 H128 Cl8 Fe4 N32 O32 -","4","1","","Haruna Torigoe; Hiroaki Hagiwara; Shinobu Arata; Masahiro Yamada; Naohide Matsumoto","Steep Spin-crossover and LIESST Effect of a New Fe(II) Complex with a Tridentate Ligand Derived from 2-Phenyl-4-formylimidazole and N-Methylethylenediamine","Chemistry Letters","2005","34","7","956","","10.1246/cl.2005.956","","","0.7107","MoKα","","","0.062","","","","0.177","","","","","","1.004","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8000054","12.396","0.005","19.372","0.007","12.711","0.006","90","","92.2","0.02","90","","3050","2","130.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Cl2 Fe N8 O8 -","- C26 H32 Cl2 Fe N8 O8 -","- C104 H128 Cl8 Fe4 N32 O32 -","4","1","","Haruna Torigoe; Hiroaki Hagiwara; Shinobu Arata; Masahiro Yamada; Naohide Matsumoto","Steep Spin-crossover and LIESST Effect of a New Fe(II) Complex with a Tridentate Ligand Derived from 2-Phenyl-4-formylimidazole and N-Methylethylenediamine","Chemistry Letters","2005","34","7","956","","10.1246/cl.2005.956","","","0.7107","MoKα","","","0.068","","","","0.185","","","","","","1","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8000055","17.4063","0.0008","13.0233","0.0006","30.268","0.001","90","","93.173","0.003","90","","6850.9","0.5","123.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H81 Cl9 O8 -","- C68 H79 Cl9 O8 -","- C272 H316 Cl36 O32 -","4","1","","Hirohito Tsue; Tatsuya Takimoto; Chieko Kikuchi; Haruna Yanase; Hiroki Takahashi; Koji Amezawa; Koichi Ishibashi; Shunitz Tanaka; Rui Tamura","Adsorptive Removal of Bisphenol A by Calix[4]crown Derivatives: Significant Contribution of Hydrogen Bonding Interaction to the Control of Adsorption Behavior","Chemistry Letters","2005","34","7","1030","","10.1246/cl.2005.1030","","","0.7107","MoKα","","","0.064","","","","0.169","","","","","","0.993","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8000056","26.4096","0.001","10.1131","0.0002","20.5028","0.0009","90","0.0004","116.932","0.0005","90","0.0004","4882.1","0.3","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","9,10-distibatriptycene","2,3,6,7,14,15-Hexamethyl-9,10-distibatriptycene","","- C27 H24 F3 Sb2 -","- C27 H24 F3 Sb2 -","- C216 H192 F24 Sb16 -","8","1","","Yosuke Uchiyama; Gaku Yamamoto","A Bromine Adduct of 2,3,6,7,14,15-Hexamethyl-9,10-distibatriptycene. The First Stibonium‒Stiborate Zwitterion","Chemistry Letters","2005","34","7","966","","10.1246/cl.2005.966","","","0.7107","MoKα","","0.0273","0.0258","","","0.0649","0.066","","","","","","1.081","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000057","11.0798","0.0004","18.9219","0.0007","14.3459","0.0008","90","0.0007","100.184","0.0008","90","0.0007","2960.2","0.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bromine adduct","9,9,9,10-tetrabromo-2,3,6,7,14,15-hexamethyl-9,10- distibatriptycene","","- C25 H25 Br4 Cl3 Sb2 -","- C25 H25 Br4 Cl3 Sb2 -","- C100 H100 Br16 Cl12 Sb8 -","4","1","","Yosuke Uchiyama; Gaku Yamamoto","A Bromine Adduct of 2,3,6,7,14,15-Hexamethyl-9,10-distibatriptycene. The First Stibonium‒Stiborate Zwitterion","Chemistry Letters","2005","34","7","966","","10.1246/cl.2005.966","","","0.7107","MoKα","","0.0271","0.0247","","","0.055","0.0561","","","","","","1.063","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000058","7.6049","0.0006","20.3114","0.0017","19.2794","0.0015","90","","91.721","0.002","90","","2976.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H34 O10 -","- C29 H34 O9.875 -","- C116 H136 O39.5 -","4","2","","Yu-Bo Wang; Guang-Min Yao; Hong-Bing Wang; Guo-Wei Qin","A Novel Diterpenoid from Euphorbia fischeriana","Chemistry Letters","2005","34","8","1160","","10.1246/cl.2005.1160","","","0.71073","MoKα","","0.1196","0.066","","","0.1836","0.1995","","","","","","0.919","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000059","14.867","0.001","10.589","0.001","9.096","0.0006","90","","91.013","0.007","90","","1431.73","0.19","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H13 Cl Ge O2 -","- C16 H13 Cl Ge O2 -","- C64 H52 Cl4 Ge4 O8 -","4","1","","Makoto Yamashita; Hiromi Murakami; Toshifumi Unrin-in; Atsushi Kawachi; Kin-ya Akiba; Yohsuke Yamamoto","Synthesis and Structure of a Germylene Bearing a 1,8-Dimethoxyanthracene Ligand","Chemistry Letters","2005","34","5","690","","10.1246/cl.2005.690","","","0.71069","MoKα","","0.1299","0.0625","","","0.1786","0.2199","","","","","","1.198","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000060","15.272","0.003","41.54","0.009","9.1022","0.0012","90","","103.232","0.017","90","","5621.1","1.9","288","2","288","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35 H137 Ag2 Cl4.5 Co5 Mn3 N33.5 O69.5 S5 -","- C35 H105 Ag2 Cl4.5 Co5 Mn3 N33.5 O69.5 S5 -","- C70 H210 Ag4 Cl9 Co10 Mn6 N67 O139 S10 -","2","1","","Takashi Aridomi; Masakazu Hirotsu; Takashi Yoshimura; Tatsuya Kawamoto; Takumi Konno","A Remarkable CoIIIMnIIAgI Heterometallic Aggregate with L-Cysteinate That Accommodates Chiral Cobalt(III) Octahedra in a 1D Channel","Chemistry Letters","2005","34","6","770","","10.1246/cl.2005.770","","","0.7107","MoKα","","0.0695","0.0674","","","0.1798","0.1836","","","","","","1.027","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000062","8.668","0.002","19.732","0.002","13.264","0.002","90","","91.68","0.02","90","","2267.6","0.7","295.2","","295.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O5 -","- C29 H22 O5 -","- C116 H88 O20 -","4","1","","Masakazu Hirotsu; Naoki Ohno; Takashi Nakajima; Keiji Ueno","Synthesis of a Cofacial Schiff-Base Dimanganese(III) Complex for Asymmetric Catalytic Oxidation of Sulfides","Chemistry Letters","2005","34","6","848","","10.1246/cl.2005.848","","","0.71069","MoKα","","0.2169","0.0596","","","","0.1841","","","","","","0.917","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000063","15.8627","0.0007","13.034","0.0005","19.6598","0.0009","90","","90.244","0.002","90","","4064.7","0.3","113.2","","113.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C77 H89 F12 Mn2 N4 O13.5 Sb2 -","- C77 H75 F12 Mn2 N4 O13.5 Sb2 -","- C154 H150 F24 Mn4 N8 O27 Sb4 -","2","1","","Masakazu Hirotsu; Naoki Ohno; Takashi Nakajima; Keiji Ueno","Synthesis of a Cofacial Schiff-Base Dimanganese(III) Complex for Asymmetric Catalytic Oxidation of Sulfides","Chemistry Letters","2005","34","6","848","","10.1246/cl.2005.848","","","0.7107","MoKα","","0.0538","0.0511","","","","0.1466","","","","","","1.043","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000064","9.028","0.008","19.9","0.02","9.241","0.009","90","","95.611","0.005","90","","1652.3","2.6","293.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C7 H2 Cl4 Fe O S2 Se4 -","- C7 H2 Cl4 Fe O S2 Se4 -","- C28 H8 Cl16 Fe4 O4 S8 Se16 -","4","1","","Tetsuro Kusamoto; Emiko Fujiwara; Akiko Kobayashi","Molecule-based Weak Ferromagnet with Unique Magnetic Multiphases","Chemistry Letters","2005","34","6","858","","10.1246/cl.2005.858","","","0.7107","MoKα","","","0.037","","","","0.049","","","","","","1.039","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8000065","9.8618","0.0005","11.705","0.0005","17.5577","0.0005","78.366","0.008","84.12","0.009","84.769","0.01","1969.5","0.2","150.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H38 Ag4 F12 N8 O13 S24 -","- C43 H38 Ag4 F12 N8 O13 S24 -","- C43 H38 Ag4 F12 N8 O13 S24 -","1","0.5","","Yi Ding; Jian-Chu Zhong; Megumu Munakata; Hisashi Konaka; Gui-Ling Ning; Hong-Zhi Wang","A Novel 3-D Open Coordination Polymeric Network Assembled from Silver(I) and 4,5-Bis(cyanoethylsulfanyl)-1,3-dithiole-2-thione with S···S Contacts","Chemistry Letters","2005","34","12","1632","","10.1246/cl.2005.1632","","","0.7107","MoKα","","","0.0278","","","","0.0619","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"8000066","34.053","0.002","9.5678","0.0006","17.046","0.0011","90","","90","","90","","5553.8","0.6","300","","300","","","","","","","","","5","P b c n","-P 2n 2ab","60","phenanthroline Pr complex","[Pr(phen)(DMF)2(NO3)3]","","- C19.5 H25.5 N7.5 O11.5 Pr -","- C19.5 H25.5 N7.5 O11.5 Pr -","- C156 H204 N60 O92 Pr8 -","8","1","","Miki Hasegawa; Ayumi Ishii; Tomoko Yamazaki; Shinobu Kishi; Iwao Yamazaki","Intramolecular Excited Energy Transfer from Phenanthroline Fluorophore to Pr(III) in a Metal Complex","Chemistry Letters","2005","34","10","1418","","10.1246/cl.2005.1418","","x-ray","0.71073","MoKα","","0.0425","0.0284","","","0.0607","0.066","","","","","","1.032","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000067","17.2496","0.0007","18.5822","0.0007","6.4537","0.0002","90","","90","","90","","2068.64","0.13","173.1","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C14 H16 N4 O8 Pt -","- C14 H8 N4 O8 Pt -","- C56 H32 N16 O32 Pt4 -","4","0.25","","Masako Kato; Shinobu Kishi; Yuki Wakamatsu; Yoshiko Sugi; Yoko Osamura; Tamami Koshiyama; Miki Hasegawa","Outstanding Vapochromism and pH-dependent Coloration of Dicyano(4,4'- dicarboxy-2,2'-bipyridine)platinum(II) with a Three-dimensional Network Structure","Chemistry Letters","2005","34","10","1368","","10.1246/cl.2005.1368","","","0.7107","MoKα","","","0.03","","","","0.1","","","","","","1.258","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8000068","8.09","0.001","13.081","0.002","17.396","0.002","90","","102.482","0.009","90","","1797.4","0.5","150.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 O Si2 Ta -","- C15 H25 O Si2 Ta -","- C60 H100 O4 Si8 Ta4 -","4","1","","Hidenori Koshikawa; Masaaki Okazaki; Shun-ichi Matsumoto; Keiji Ueno; Hiromi Tobita; Hiroshi Ogino","Synthesis and Structure of a Base-stabilized Silyl(silylene)tantalum Complex","Chemistry Letters","2005","34","10","1412","","10.1246/cl.2005.1412","","","0.7107","MoKα","","","0.0303","","","","0.0882","","","","","","1.213","","","","has coordinates","200428","2020-10-21","18:00:00",""
"8000069","28.958","0.005","30.017","0.005","17.204","0.003","90","","90","","90","","14954","5","273","2","200","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Cu18","","- C84 H124 Cu18 N12 O76 P8 -","- C84 H124 Cu18 N12 O76 P8 -","- C336 H496 Cu72 N48 O304 P32 -","4","0.5","","Takuya Shiga; Kazuya Maruyama; Lingqin Han; Hiroki Oshio","Structure and Magnetic Property of an Octadecanuclear Cu(II) Complex","Chemistry Letters","2005","34","12","1648","","10.1246/cl.2005.1648","","","0.71073","MoKα","","0.0913","0.0606","","","0.1725","0.1954","","","","","","1.084","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8000070","9.9193","0.0002","10.0822","0.0004","17.4856","0.0003","85.748","0.005","89.698","0.001","76.677","0.007","1696.84","0.09","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H43 Cl2 N O3 Ti -","- C34 H44 Cl2 N O3 Ti -","- C68 H88 Cl4 N2 O6 Ti2 -","2","1","","Yasuhiko Suzuki; Toshiyuki Oshiki; Hidetsugu Tanaka; Kazuhiko Takai; Terunori Fujita","A Novel Heteroligated Phenoxy-based Titanium Complex: Structure, Stability, and Ethylene Polymerization Behavior","Chemistry Letters","2005","34","10","1458","","10.1246/cl.2005.1458","","","0.7107","MoKα","","","0.0537","","","","0.1392","","","","","","1.934","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000071","17.984","0.007","25.06","0.008","11.776","0.003","98.01","0.02","104.86","0.03","91.12","0.04","5071","2","293.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H100 Cl6 N20 O27 Pd6 Ru2 S10 -","- C64 H100 Cl6 N20 O27 Pd6 Ru2 S10 -","- C128 H200 Cl12 N40 O54 Pd12 Ru4 S20 -","2","1","","Takashi Yoshimura; Atsushi Shinohara; Masakazu Hirotsu; Takumi Konno","The First RuIIPdII2S3 Metallochelate Ring Formed on a [Ru(bpy)2]2+ Core","Chemistry Letters","2005","34","10","1310","","10.1246/cl.2005.1310","","","0.7107","MoKα","","","0.0532","","","","0.1768","","","","","","1.422","","","","has coordinates","194480","2020-10-21","18:00:00",""
"8000072","13.71","0.004","14.199","0.002","11.059","0.002","93.93","0.01","108.99","0.02","84.12","0.02","2023.6","0.7","293.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C26 H38 Cl3 N7 O10 Pd2 Ru S3 -","- C26 H38 Cl3 N7 O10 Pd2 Ru S3 -","- C52 H76 Cl6 N14 O20 Pd4 Ru2 S6 -","2","1","","Takashi Yoshimura; Atsushi Shinohara; Masakazu Hirotsu; Takumi Konno","The First RuIIPdII2S3 Metallochelate Ring Formed on a [Ru(bpy)2]2+ Core","Chemistry Letters","2005","34","10","1310","","10.1246/cl.2005.1310","","","0.7107","MoKα","","","0.0578","","","","0.196","","","","","","1.007","","","","has coordinates","200399","2020-10-21","18:00:00",""
"8000073","12.546","0.001","25.351","0.004","11.584","0.002","89","","90","","89","","3684.3","0.9","296.2","","","","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C32 H40 Cl2 N6 O11 Tc -","- C32 H40 Cl2 N6 O11 Tc -","- C128 H160 Cl8 N24 O44 Tc4 -","4","","","Takashi Yoshimura; Masanori Kawai; Tsutomu Takayama; Tsutomu Sekine; Hiroshi Kudo; Atsushi Shinohara","A Novel Seven-coordinate Technetium(IV) Complex: Synthesis and Characterization of [TcO(tpen)]2+ (tpen \δb N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine)","Chemistry Letters","2005","34","12","1624","","10.1246/cl.2005.1624","","","0.7107","MoKα","","","0.0427","","","","0.1377","","","","","","1.063","","","","has coordinates","189096","2020-10-21","18:00:00",""
"8000085","14.3952","0.0007","14.792","0.0007","18.0256","0.0009","90","","98.52","0.0001","90","","3795.9","0.3","223","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H31 N4 O3 Re -","- C48 H31 N4 O3 Re -","- C192 H124 N16 O12 Re4 -","4","1","","Toganoh, Motoki; Furuta, Hiroyuki","Rhenium Complexes of N-Methyl N-Confused Tetraphenylporphyrin and Its Normal Isomer","Chemistry Letters","2005","34","7","1034","","10.1246/cl.2005.1034","","","0.7107","MoKα","","","0.029","","","","0.034","","","","","","1.231","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000086","14.4561","0.0009","18.171","0.0009","14.125","0.001","90","","90","","90","","3710.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H39 O10.5 Si5 Ti -","- C31 H39 O10.5 Si5 Ti -","- C124 H156 O42 Si20 Ti4 -","4","1","","Hirotsu, Masakazu; Taruno, Shinsuke; Yoshimura, Takashi; Ueno, Keiji; Unno, Masafumi; Matsumoto, Hideyuki","Synthesis and Structures of the First Titanium(IV) Complexes with Cyclic Tetrasiloxide Ligands: Incomplete and Complete Cage Titanosiloxanes","Chemistry Letters","2005","34","11","1542","","10.1246/cl.2005.1542","","","0.71073","MoKα","","0.0478","0.0443","","","0.1121","0.1147","","","","","","1.009","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000087","13.071","0.008","13.186","0.011","13.487","0.011","115.471","0.01","95.79","0.009","114.59","0.01","1794","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H37 Cl2 O8 Si4 Ti2 -","- C27 H37 Cl2 O8 Si4 Ti2 -","- C54 H74 Cl4 O16 Si8 Ti4 -","2","1","","Hirotsu, Masakazu; Taruno, Shinsuke; Yoshimura, Takashi; Ueno, Keiji; Unno, Masafumi; Matsumoto, Hideyuki","Synthesis and Structures of the First Titanium(IV) Complexes with Cyclic Tetrasiloxide Ligands: Incomplete and Complete Cage Titanosiloxanes","Chemistry Letters","2005","34","11","1542","","10.1246/cl.2005.1542","","","0.71073","MoKα","","0.0451","0.0437","","","0.1273","0.1311","","","","","","0.968","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000088","27.701","0.004","9.011","0.002","15.172","0.004","90","","98.781","0.016","90","","3742.8","1.4","296.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Fe O12 -","- C44 H38 Fe O12 -","- C176 H152 Fe4 O48 -","4","0.5","","Nakamura, Naotake; Nishikawa, Masako","A Novel Molecular Structure of a Ferrocene Derivative Containing Mesogenic Group, 1,1′-Bis[2-[4-(4-methoxyphenoxycarbonyl)phenoxy]ethoxycarbonyl]ferrocene","Chemistry Letters","2005","34","11","1544","","10.1246/cl.2005.1544","","","1.54178","CuKα","","","0.0363","","","","0.0684","","","","","","1.016","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000089","4.9759","0.0009","17.655","0.003","15.299","0.003","90","","97.809","0.009","90","","1331.5","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F2 N2 -","- C18 H10 F2 N2 -","- C72 H40 F8 N8 -","4","1","","Kikuchi, Azusa; Abe, Jiro","Crystal Structure of Light-induced Colored Species from Photochromic Dimer of 1,4-Bis(imidazolyl)tetrafluorobenzene","Chemistry Letters","2005","34","11","1552","","10.1246/cl.2005.1552","","","1.54178","CuKα","","0.1342","0.0939","","","0.2366","0.2653","","","","","","0.975","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8101672","9.3197","0.0018","10.6761","0.0008","33.786","0.002","90","","90","","90","","3361.6","0.7","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","(3S,1'S)-2,2-dimethyl-3-[1,2-cyclohexylidenedioxyethyl]-tetrahydro-1,2-oxazolium tetrafluoroborate","","- C13 H24 B F4 N O3 -","- C13 H24 B F4 N O3 -","- C104 H192 B8 F32 N8 O24 -","8","1","","W. Frey; M. Henneböhle; V. Jäger","Crystal structure of (3S,1'S)-2,2-dimethyl-3-[1,2-cyclohexylidenedioxyethyl]- tetrahydro-1,2-oxazolium tetrafluoroborate, (C~13~H~24~NO~3~)[BF~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","149","150","","","","1.54178","CuKα","","0.0753","0.0638","","","0.1701","0.1849","","","","","","1.386","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101673","8.8739","0.0005","9.5664","0.0005","10.7489","0.0006","90","","90","","90","","912.49","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5S,8S)-8-hydroxymethyl-1-methyl-2,7-dioxa-1-aza-spiro[4,4]nonan-6-one","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","1","","W. Frey; M. Imerhasan; Y. Bathich; V. Jäger","Crystal structure of (5S,8S)-8-hydroxymethyl-1-methyl-2,7-dioxa-1- aza-spiro[4,4]nonan-6-one, C~8~H~13~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","151","152","","","","1.54178","CuKα","","0.0503","0.0483","","","0.1302","0.1337","","","","","","1.061","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101674","15.915","0.003","8.23","0.002","10.189","0.002","90","","103.98","0.03","90","","1295","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-di(1-imidazolylbutane) dihydrochloride","","- C10 H16 Cl2 N4 -","- C10 H16 Cl2 N4 -","- C40 H64 Cl8 N16 -","4","0.5","","M. Królikowska; J. Garbarczyk","Crystal structures of 1,4-di(1-imidazolyl)butane dihydrochloride, (C~10~H~16~N~4~)Cl~2~, and 1,4-di(1-imidazolyl)butane dihydrate, C~10~H~14~N~4~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","103","104","","","","1.54178","CuKα","","0.0448","0.0375","","","0.1082","0.1129","","","","","","1.08","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101675","14.775","0.003","5.222","0.001","15.604","0.003","90","","90","","90","","1203.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-di(1-imidazolylbutan) dihydrate","","- C10 H18 N4 O2 -","- C10 H18 N4 O2 -","- C40 H72 N16 O8 -","4","0.5","","M. Królikowska; J. Garbarczyk","Crystal structures of 1,4-di(1-imidazolyl)butane dihydrochloride, (C~10~H~16~N~4~)Cl~2~, and 1,4-di(1-imidazolyl)butane dihydrate, C~10~H~14~N~4~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","103","104","","","","1.54178","CuKα","","0.154","0.0774","","","0.2224","0.3112","","","","","","1.076","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101676","11.931","0.001","14.313","0.001","14.804","0.001","91.63","0.01","102.74","0.01","102.52","0.01","2399.4","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","t-butylisocyanide-tricarbonyl-1,10-phenanthroline-rhenium(I)- trifluormethanesulfonate","","- C21 H17 F3 N3 O6 Re S -","- C21 H17 F3 N3 O6 Re S -","- C84 H68 F12 N12 O24 Re4 S4 -","4","2","","B. Aechter; J. Knizek; H. Nöth; W. Beck","Crystal structure of tert-butylisocyanide-tricarbonyl-1,10-phenanthroline- rhenium(I) trifluormethanesulfonate, [Re(C~5~H~9~N)(CO)~3~(C~12~H~8~N~2~)] (F~3~CSO~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","107","109","","","","0.71073","MoKα","","0.0781","0.0603","","0.2627","0.2023","","","","1.171","0.942","0.942","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"8101677","12.98","","18.1165","0.0002","14.437","","90","","109.41","","90","","3201.94","0.04","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","μ-2,2'-bipyrimidine-hexacarbonyl-bis(triphenyl-phosphine-dirhenium(I) bis(trifluormethanesulfonate) tetrakis(acetonitrile)","","- C60 H48 F6 N8 O12 P2 Re2 S2 -","- C60 H48 F6 N8 O12 P2 Re2 S2 -","- C120 H96 F12 N16 O24 P4 Re4 S4 -","2","0.5","","B. Aechter; J. Knizek; H. Nöth; W. Beck","Crystal structure of μ-2,2'-bipyrimidine-hexacarbonyl-bis(triphenylphosphine) dirhenium(I) bis(trifluormethanesulfonate) acetonitrile tetrasolvate, [Re~2~(C~8~H~6~N~4~)(CO)~6~(C~18~H~15~P)~2~](F~3~CSO~3~)~2~ · 4CH~3~CN","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","110","112","","","","0.71073","MoKα","","0.0315","0.0259","","0.0578","0.055","","","","1.158","1.164","1.164","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"8101678","20.269","0.005","9.858","0.002","12.641","0.003","90","","107.719","0.005","90","","2406","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","syn-4-(p-trifluoromethylphenyl)-2,4,6-triphenyl-4H-thiopyran-1-oxide","","- C30 H21 F3 O S -","- C30 H21 F3 O S -","- C120 H84 F12 O4 S4 -","4","1","","F. Jafarpour; H. Pirelahi","Crystal structure of syn-4-(p-trifluoromethylphenyl)-2,4,6-triphenyl- 4H-thiopyran-1-oxide, C~30~H~21~F~3~OS","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","15","16","","","","0.71073","MoKα","","0.1351","0.0809","","","0.123","0.1398","","","","","","0.999","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101679","14.954","0.003","8.088","0.002","11.973","0.002","90","","93.5","0.01","90","","1445.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methyl (1R,2S,3R,4S)-1-phenyl-3,4-epoxi-1,2,3,4-tetrahydronaphthalene-2-carboxylate","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","K. Peters; E.-M. Peters; F. Rebien; T. Linker","Crystal structure of methyl (1R,2S,3R,4S)-1-phenyl-3,4-epoxi-1,2,3, 4-tetrahydronaphthalene-2-carboxylate, C~18~H~16~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","17","18","","","","0.71073","MoKα","","0.1113","0.0834","","","0.2238","0.2487","","","","","","1.018","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101680","15.801","0.001","7.92","0.001","21.055","0.002","90","","101.31","0.01","90","","2583.7","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1,2,2-tetramethoxycarbonylethanol","","- C10 H14 O9 -","- C10 H14 O9 -","- C80 H112 O72 -","8","1","","K. Peters; E.-M. Peters; U. Linker; T. Linker","Crystal structure of 1,1,2,2-tetramethoxycarbonylethanol, C~2~H(CH~3~OCO) ~4~OH","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","19","20","","","","0.71073","MoKα","","0.0472","0.0435","","","0.1295","0.1337","","","","","","1.053","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101681","16.5888","0.0006","12.2537","0.0005","5.6054","0.0002","90","","90","","90","","1139.43","0.07","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Phenylbenzylsulfone","","- C13 H12 O2 S -","- C13 H12 O2 S -","- C52 H48 O8 S4 -","4","1","","M.-C. Liu; J.-C. Ding; W. Feng; H.-Y. Wu","Crystal structure of phenylbenzylsulfone, (C~6~H~5~)(C~7~H~7~)SO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","23","24","","","","0.71073","MoKα","","0.0595","0.0591","","","0.1276","0.1278","","","","","","1.322","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101682","18.483","0.002","9.4125","0.001","10.0721","0.0011","90","","90","","90","","1752.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(5R,10R)-2,7-dibromo-3,8-dihydroxy-5,10-dimethoxyl- 5,10-dihydro-chromeno[5,4,3-cde]chromene sequihydrate","","- C16 H15 Br2 O7.5 -","- C16 H15 Br2 O7.5 -","- C64 H60 Br8 O30 -","4","1","","Q.-W. Liu; X. Fan; C.-H. Tan; T. Zhang; L.-J. Han; D.-Y. Zhu","Crystal structure of (5R,10R)-2,7-dibromo-3,8-dihydroxy-5,10-dimethoxy- 5,10-dihydrochromeno[5,4,3-cde]chromene sesquihydrate, C~16~H~12~Br~2~O~6~ · 1.5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","25","26","","","","0.71073","MoKα","","0.1192","0.0827","","","0.1911","0.202","","","","","","0.933","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101683","11.0749","0.0006","13.4572","0.0007","20.501","0.0011","80.666","0.001","86.561","0.001","72.516","0.001","2875.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","tris(triphenylphosphine)bis(phenylselenolato)disilver(I)","","- C66 H55 Ag2 P3 Se2 -","- C66 H55 Ag2 P3 Se2 -","- C132 H110 Ag4 P6 Se4 -","2","1","","R.-F. Wang; W.-G. Zhang; J. Fan; S.-L. Wang","Crystal structure of tris(triphenylphosphine)bis(μ-phenylselenolato) disilver(I), Ag~2~[P(C~6~H~5~)~3~]~3~(C~6~H~5~Se)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","58","60","","","","0.71073","MoKα","","0.0604","0.0385","","","0.0784","0.0896","","","","","","1.036","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101684","7.543","0.002","8.629","0.003","6.161","0.002","109.38","0.02","108.03","0.02","101.89","0.03","337.7","0.2","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H14 Cl2 N2 O2 Pd -","- C10 H14 Cl2 N2 O2 Pd -","- C10 H14 Cl2 N2 O2 Pd -","1","0.5","","E. Horn; A. Horiuchi; K. Ito; T. Nakahodo; M. Watabe; T. T. Takahashi; C. A. Horiuchi","Crystal structure of dichlorobis(3,5-dimethylisoxazolato)palladium (II), PdCl~2~(C~5~H~7~NO)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","27","28","","","","0.7107","MoKα'","","","0.0323","","","0.0357","","","","","2.509","2.509","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101685","13.7322","0.0011","14.7879","0.0012","22.6406","0.0018","73.095","0.002","73.579","0.002","65.783","0.001","3940.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(triphenylphosphine)hexakis(phenylselenido)tetramercury(II)","","- C84 H70 Hg4 P2 Se8 -","- C84 H70 Hg4 P2 Se8 -","- C168 H140 Hg8 P4 Se16 -","2","1","","R.-F. Wang; W.-G. Zhang; J. Fan; S.-L. Wang","Crystal structure of bis(triphenylphosphine)hexakis(μ-phenylselenido) bis(phenylselenido)tetramercury(II), Hg~4~[P(C~6~H~5~)~3~]~2~(C~6~H~5~Se) ~8~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","61","64","","","","0.71073","MoKα","","0.0451","0.0319","","","0.0651","0.0707","","","","","","0.937","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101686","10.659","0.003","12.29","0.004","13.93","0.004","70.253","0.005","82.368","0.005","68.698","0.004","1600.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(4-methylbenzoato)bis[(μ-4-methylbenzoato-O,O')(1,10-phenanthroline)] diholmium(III)","","- C72 H58 Ho2 N4 O12 -","- C72 H58 Ho2 N4 O12 -","- C72 H58 Ho2 N4 O12 -","1","0.5","","X. Li; Y.-Q. Zou","Crystal structure of bis(1,10-phenanthroline)tetrakis(4-methylbenzoato) bis(μ-4-methylbenzoato-O,O')diholmium(III), Ho~2~(C~8~H~7~O~2~)~6~(C~12~H~8~N~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","33","35","","","","0.71073","MoKα","","0.0392","0.0274","","","0.0596","0.0645","","","","","","1.042","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101687","18.623","0.004","9.702","0.0019","7.77","0.0016","90","","98.19","0.03","90","","1389.6","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","sesquiterpene spartidienedione","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","D. Ruiz; P. Rivera; I. Brito; M. Rodríguez; V. Manríquez","Crystal structure of sesquiterpene spartidienedione, C~15~H~22~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","87","88","","","","0.71073","MoKα","","0.0579","0.0575","","","0.1314","0.1326","","","","","","1.094","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101688","8.155","0.002","12.375","0.004","22.168","0.006","92.626","0.004","95.868","0.004","90.261","0.004","2223","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","catena-tris(μ-4-methylbenzoato)dysprosium(III)","","- C48 H42 Dy2 O12 -","- C48 H42 Dy2 O12 -","- C96 H84 Dy4 O24 -","2","1","","X. Li; Z.-Y. Zhang; D.-Y. Wang; Y.-Q. Zou","Crystal structure of catena-hexakis(μ-4-methylbenzoato)didysprosium (III), Dy~2~(C~8~H~7~O~2~)~6~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","36","38","","","","0.71073","MoKα","","0.0463","0.0329","","","0.0892","0.0979","","","","","","1.029","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101689","14.061","0.003","7.732","0.002","9.161","0.004","90","0.03","106.85","0.02","90","0.03","953.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-chlorophenylamino)pyridine","","- C11 H9 Cl N2 -","- C11 H9 Cl N2 -","- C44 H36 Cl4 N8 -","4","1","","M. Talja; M. Polamo","Crystal structure of 2-(2-chlorophenylamino)pyridine, C~11~H~9~ClN~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","39","40","","","","0.71073","MoKα","","0.0641","0.0404","","","0.0867","0.0959","","","","","","1.002","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101690","10.705","0.002","14.654","0.003","19.558","0.004","90","","94.74","0.03","90","","3057.6","1.1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-[2,6-di(methylethyl)phenylamino]pyridine","","- C17 H22 N2 -","- C17 H22 N2 -","- C136 H176 N16 -","8","1","","M. Polamo; M. Talja; A. J. Piironen","Crystal structure of 2-[2,6-di(methylethyl)phenylamino]pyridine, C~17~H~22~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","41","42","","","","0.71073","MoKα","","0.0972","0.0789","","","0.185","0.1958","","","","","","1.06","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101691","8.855","0.002","14.313","0.003","16.214","0.003","106.73","0.03","102.93","0.03","97.82","0.03","1873.3","0.9","193","1","193","1","","","","","","","","5","P -1","-P 1","2","2-anilidopyridine-phenyl-imidotungsten","trichloro-2-(phenylamido)pyridine-phenyl-imido-tungsten","","- C17 H14 Cl3 N3 W -","- C17 H14 Cl3 N3 W -","- C68 H56 Cl12 N12 W4 -","4","2","","M. Polamo; M. Talja","Crystal structure of trichloro(phenyl-2-pyridylamido)phenylimidotungsten (VI), WCl~3~(C~6~H~5~N)(C~11~H~9~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","43","44","","","","0.71073","MoKα","","0.0594","0.0443","","","0.1081","0.1129","","","","","","1.046","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101692","8.2341","0.0015","10.4212","0.0019","9.3945","0.0017","90","","105.366","0.003","90","","777.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-aminomethylepyridine-nitrate","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","","A. R. Mahjoub; A. Morsali; S. Nouryan Aval","Crystal structure of pyridyl-2-methylammonium nitrate, (C~6~H~9~N~2~) NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","45","46","","","","0.71073","MoKα","","0.051","0.0442","","","0.0939","0.0973","","","","","","0.986","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101693","11.3746","0.0015","15.383","0.0018","13.0256","0.0017","90","","94.718","0.002","90","","2271.4","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","chlorobis(1,10-phenanthroline)zinc(II) perchorate monohydrate","","- C24 H18 Cl2 N4 O5 Zn -","- C24 H18 Cl2 N4 O5 Zn -","- C96 H72 Cl8 N16 O20 Zn4 -","4","1","","A. R. Mahjoub; A. Morsali; Z. Talaei; A. Hosseinian","Crystal structure of chlorobis(1,10-phenanthroline)zinc(II) perchorate monohydrate, [ZnCl(C~12~H~8~N~2~)~2~]ClO~4~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","47","48","","","","0.71073","MoKα","","0.0852","0.0478","","","0.0943","0.1031","","","","","","1.087","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101694","14.8163","0.0001","16.1125","0.0001","20.1823","0.0001","92.7499","0.0003","96.5942","0.0003","111.648","0.0002","4427.28","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","tri[potassium([2.2.2]crypt)]nonastannide ethylenediamine hemisolvate","","- C55 H112 K3 N7 O18 Sn9 -","- C55 H112 K3 N7 O18 Sn9 -","- C110 H224 K6 N14 O36 Sn18 -","2","1","","L. Yong; S. D. Hoffmann; T. F. Fässler","Crystal structure of tris[([2.2.2]crypt)potassium] nonastannide ethylenediamine hemisolvate, [K(C~18~H~36~N~2~O~6~)]~3~Sn~9~ · ½C~2~H~8~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","49","52","","","","0.71073","MoKα","","0.0528","0.0391","","","0.1015","0.1064","","","","","","1.056","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101695","15.4208","0.0001","16.2851","0.0001","25.94","0.0002","80.2284","0.0003","79.1115","0.0003","63.2406","0.0002","5685.23","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","[K([2.2.2]crypt)]4[Sn9Mo(CO)3](C2H8N2)2","","- C79 H160 K4 Mo N12 O27 Sn9 -","- C79 H160 K4 Mo N12 O27 Sn9 -","- C158 H320 K8 Mo2 N24 O54 Sn18 -","2","1","","L. Yong; S. D. Hoffmann; T. F. Fässler","Crystal structure of tetrakis[([2.2.2]crypt)potassium]tricarbonylmolybdenum (0) nonastannide ethylenediamine disolvate, [K(C~18~H~36~O~6~N~2~)] ~4~[Mo(CO)~3~Sn~9~] · 2C~2~H~8~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","53","57","","","","0.71073","MoKα","","0.0349","0.0272","","","0.0638","0.0666","","","","","","1.058","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101696","24.714","0.005","7.3303","0.0014","11.98","0.002","90","","90","","90","","2170.3","0.7","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","N-4-Nitrophenyl phosphoramidic acid dimethyl ester","","- C8 H11 N2 O5 P -","- C8 H11 N2 O5 P -","- C64 H88 N16 O40 P8 -","8","1","","K. Gholivand; Z. Shariatinia; M. Pourayoubi","Refinement of the crystal structure of N-4-nitrophenylphosphoramidic acid dimethyl ester, (CH~3~O)~2~PONHC~6~H~4~NO~2~, at 120 K","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","65","66","","","","0.71073","MoKα","","0.0705","0.0537","","","0.1224","0.1284","","","","","","0.984","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101697","7.914","0.0001","16.509","0.0003","10.522","0.0002","90","","92.484","0.0012","90","","1373.43","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(2-hydroxy-i-valeryl-isoleucyl-2-hydroxy-i-valeryl-alanyl-threonyl) dihydrate","","- C23 H43 N3 O10 -","- C23 H43 N3 O10 -","- C46 H86 N6 O20 -","2","1","","A. Jegorov; V. Havlícek; M. Husák; B. Kratochvíl; I. Císarová; J. Satke; M. Zabka","Crystal structure of cyclo(2-hydroxy-i-valeryl-isoleucyl-2-hydroxy- i-valeryl-alanyl-threonyl) dihydrate, C~23~H~39~N~3~O~8~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","113","115","","","","0.71073","MoKα","","0.0296","0.0252","","0.0327","0.0279","0.0279","","","","","","1.1408","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101698","8.3073","0.0008","17.07","0.002","16.176","0.002","90","","95.566","0.008","90","","2283","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis[potassium(18-crown-6)] hexathiodiphosphate(V) acetonitrile disolvate","","- C28 H54 K2 N2 O12 P2 S6 -","- C28 H54 K2 N2 O12 P2 S6 -","- C56 H108 K4 N4 O24 P4 S12 -","2","0.5","","Gjikaj, M.; Adam, A.; Duewel, M.; Brockner, W.","Crystal structure of bis[(18-crown-6)potassium] hexathiodiphosphate(V) acetonitrile disolvate, [K(C~12~H~24~O~6~)]~2~(P~2~S~6~) · 2CH~3~CN","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","67","68","","","","0.71073","MoKα","","0.0779","0.0488","","","0.0832","0.0898","","","","","","1.1","","","","has coordinates","187017","2020-10-21","18:00:00",""
"8101699","8.2384","0.0008","10.1299","0.0009","12.9685","0.0012","102","0.002","101.049","0.002","113.453","0.001","924.65","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis[diaqua(1,10-phenanthroline)(μ-4-sulfobenzoato)cadmium(II)]","","- C38 H32 Cd2 N4 O14 S2 -","- C38 H32 Cd2 N4 O14 S2 -","- C38 H32 Cd2 N4 O14 S2 -","1","0.5","","S.-R. Fan; L.-P. Zhang; H.-P. Xiao; G.-Q. Cai; L.-G. Zhu","Crystal structure of bis[diaqua(1,10-phenanthroline)(μ-4-sulfobenzoato) cadmium(II)], [Cd(H~2~O)~2~(C~12~H~8~N~2~)(C~7~H~4~O~5~S)]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","69","70","","","","0.71073","MoKα","","0.0533","0.0518","","","0.0995","0.1001","","","","","","1.261","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101700","19.6794","0.0005","20.7759","0.0006","12.6899","0.0003","90","","90","","90","","5188.4","0.2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","pentafluorophenyl ferrocene","","- C16 H9 F5 Fe -","- C16 H9 F5 Fe -","- C256 H144 F80 Fe16 -","16","1","","K. Boubekeur; J.-L. Syssa-Magalé; P. Palvadeau; B. Schöllhorn","Crystal structure of pentafluorophenyl ferrocene, Fe(C~5~H~5~)(C~11~H~4~F~5~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","71","72","","","","0.71073","MoKα","","0.0963","0.0423","","","0.0781","0.0953","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101701","8.5229","0.0017","9.5084","0.0019","10.709","0.002","95.55","0.03","91.46","0.03","92.36","0.03","862.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis[mue-chloro(2,2'-bipyridine-N,N')(2-chloro-benzoato)lead(II)]","","- C17 H12 Cl2 N2 O2 Pb -","- C17 H12 Cl2 N2 O2 Pb -","- C34 H24 Cl4 N4 O4 Pb2 -","2","1","","B.-S. Zhang","Crystal structure of bis[μ-chloro(2,2'-bipyridine-N,N')(μ- 2-chlorobenzoato)lead(II)], [Pb(Cl)(C~10~H~8~N~2~)(ClC~6~H~4~COO)] ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","73","74","","","","0.71073","MoKα","","0.0334","0.0253","","","0.0548","0.0565","","","","","","1.028","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101702","9.4313","0.0019","10.95","0.002","11.609","0.002","80.9","0.03","84.41","0.03","73.36","0.03","1132.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(1,10-phenanthroline-N,N')bis(2-fluorobenzoato)lead(II)","","- C26 H16 F2 N2 O4 Pb -","- C26 H16 F2 N2 O4 Pb -","- C52 H32 F4 N4 O8 Pb2 -","2","1","","B.-S. Zhang; X.-R. Zeng; Y.-Y. Yu; X.-N. Fang; C.-F. Huang","Crystal structure of (1,10-phenanthroline-N,N')bis(2-fluorobenzoato) lead(II), Pb(FC~6~H~4~COO)~2~(C~12~H~8~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","75","76","","","","0.71073","MoKα","","0.0414","0.0346","","","0.0948","0.0984","","","","","","1.036","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101703","8.181","0.001","11.604","0.002","10.193","0.001","90","","101.59","0.01","90","","947.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl (3aR,4R,5R,6R,7aR)-4,5-diacetoxy-6-acetoxymethyl- 2-oxy-3a,5,6,7a-tetrahydro-4H-pyrano[3,2-d]isoxazole-3-carboxylate","","- C16 H21 N O11 -","- C16 H21 N O11 -","- C32 H42 N2 O22 -","2","1","","K. Peters; E.-M. Peters; B. G. Kim; T. Linker","Crystal structure of ethyl (3aR,4R,5R,6R,7aR)-4,5-diacetoxy-6-acetoxymethyl- 2-oxy-3a,5,6,7a-tetrahydro-4H-pyrano[3,2-d]isoxazole-3-carboxylate, C~16~H~21~NO~11~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","21","22","","","","0.71073","MoKα","","0.0716","0.068","","","0.1721","0.177","","","","","","1.192","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101704","9.8202","0.0003","8.4511","0.0004","18.0106","0.0007","90","","96.528","0.002","90","","1485.04","0.1","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","17-(cyclopropylmethyl)-6,7-didehydro-4,5α-epoxy-3-hydroxy-14β-(3- phenylpropyloxy)indolo[2,3:6,7]morphinan hydroiodide","","- C35 H37 I N2 O3 -","- C35 H37 I N2 O3 -","- C70 H74 I2 N4 O6 -","2","1","","F. Schüllner; G. Laus; K. Wurst; H. Schmidhammer","Crystal structure of 17-(cyclopropylmethyl)-6,7-didehydro-4,5α- epoxy-3-hydroxy-14β-(3-phenylpropyloxy)indolo[2,3:6,7]morphinan hydroiodide, (C~35~H~37~N~2~O~3~)I","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","77","78","","","","0.71073","MoKα","","0.0337","0.0304","","","0.0659","0.068","","","","","","1.078","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101705","11.179","0.001","11.907","0.001","14.761","0.002","88.94","0.01","78.8","0.01","64.14","0.01","1729.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,2-bis[bis(trimethylsilyl)amino]-1,2-dimethyl-1,2-diphenyl-disilane","","- C26 H52 N2 Si6 -","- C26 H52 N2 Si6 -","- C52 H104 N4 Si12 -","2","1","","E. Popowski; I. Rietz; H. Reinke; M. Köckerling","Crystal structure of 1,2-bis[bis(trimethylsilyl)amino]-1,2-dimethyl- 1,2-diphenyl-disilane, [{[(CH~3~)~3~Si]~2~N}(CH~3~)(C~6~H~5~)Si]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","83","84","","","","0.71073","MoKα","","0.1331","0.0683","","","0.1486","0.1801","","","","","","1.009","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101706","7.246","0.002","9.134","0.002","30.518","0.003","90","","90","","90","","2019.8","0.7","296","","296","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H11 Cl N O4 P -","- C7 H11 Cl N O4 P -","- C56 H88 Cl8 N8 O32 P8 -","8","1","","H. Dhaouadi; H. Marouani; M. Rzaigui","Crystal structure of 4-chlorobenzylammonium dihydrogenmonophosphate, (ClC~7~H~6~NH~3~)~H2~PO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","135","136","","","","0.5608","AgKα","","0.0586","0.059","","0.078","","0.078","","","1.96","","","1.96","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101707","7.553","0.003","9.381","0.004","11.071","0.004","66.506","0.005","79.991","0.005","82.466","0.005","706.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","hexaaqua-bis{2-[N-(4-pyridylcarbonyl)hydrazido]propionato}dimanganese(II) dihydrate","","- C9 H17 Mn N3 O8 -","- C9 H17 Mn N3 O8 -","- C18 H34 Mn2 N6 O16 -","2","1","","Z.-P. Kong; R.-L. Bao; X.-G. Zhou; Z. Pang; L. Jiang; Z.-X. Chen; B. Yue","Crystal structure of hexaaquabis{2-[N-(4-pyridylcarbonyl)hydrazido] propionato}dimanganese(II) tetrahydrate, Mn~2~(H~2~O)~6~(C~9~H~7~N~3~O~3~) ~2~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","85","86","","","","0.71073","MoKα","","0.062","0.0451","","","0.1003","0.108","","","","","","1.049","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101708","26.759","0.005","26.759","0.005","7.431","0.002","90","","90","","120","","4608.1","1.7","300","2","300","2","","","","","","","synthetic starting from a natural product","5","R 3 :H","R 3","146","quinineborane ethanol hemisolvate","(1S,3R,4S,8S,9R)-1N-boranyl-6'-methoxy-cinchonan-9-ol ethanol hemisolvate","","- C21 H30 B N2 O2.5 -","- C21 H30 B N2 O2.5 -","- C189 H270 B9 N18 O22.5 -","9","1","","R. Wartchow; S. Roeper; H. M. R. Hoffmann","Crystal structures of ethanol hemisolvates of (1S,3R,4S,8S,9R)-1N-boranyl-6'- methoxy-cinchonan-9-ol, C~20~H~27~BN~2~O~2~ · ½C~2~H~5~OH, and (1S,3S,4S,8S,9R)-1N-boranyl-10,11-didehydro-6'-methoxy-cinchonan-9-ol, C~20~H~25~BN~2~O~2~ · ½C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","89","92","","","","0.71073","MoKα","","0.0656","0.0412","","0.0979","","0.0942","","","1.162","","","1.419","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101709","26.465","0.006","26.465","0.006","7.375","0.002","90","","90","","120","","4473.4","1.9","300","2","300","2","","","","","","","synthetic starting from a natural product","5","R 3 :H","R 3","146","10,11-Didehydroquinineborane ethanol hemisolvate","(1S,3S,4S,8S,9R)-1N-Boranyl-10,11-didehydro-6'-methoxy-cinchonan-9-ol ethanol hemisolvate","","- C21 H28 B N2 O2.5 -","- C21 H28 B N2 O2.5 -","- C189 H252 B9 N18 O22.5 -","9","1","","R. Wartchow; S. Roeper; H. M. R. Hoffmann","Crystal structures of ethanol hemisolvates of (1S,3R,4S,8S,9R)-1N- boranyl-6'-methoxy-cinchonan-9-ol, C~20~H~27~BN~2~O~2~ · ½C~2~H~5~OH, and (1S,3S,4S,8S,9R)-1N-boranyl-10,11-didehydro-6'-methoxy- cinchonan-9-ol, C~20~H~25~BN~2~O~2~ · ½C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","89","92","","","","0.71073","MoKα","","0.0871","0.0391","","0.0654","","0.062","","","1.088","","","1.475","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101710","13.0064","0.0002","11.6547","0.0002","18.9931","0.0004","90","","90.542","0.001","90","","2878.95","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ditetrabutylammonium tetradecabromohexamolybdate","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C64 H144 Br28 Mo12 N4 -","2","0.5","","K. Kirakci; S. Cordier; T. Roisnel; S. Golhen; C. Perrin","Crystal structure of bis(tetrabutylammonium) tetradecabromohexamolybdate, [(C~4~H~9~)~4~N]~2~[Mo~6~Br~14~], at 100 K and 293 K","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","116","118","","","x-ray","0.71069","MoKα","","","0.0564","","","","0.1516","","","","","","1.072","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101711","13.211","0.0002","11.853","0.0002","18.928","0.0004","90","","90.843","0.001","90","","2963.61","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(tetrabutylammonium) tetradecabromohexamolybdate","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C64 H144 Br28 Mo12 N4 -","2","0.5","","K. Kirakci; S. Cordier; T. Roisnel; S. Golhen; C. Perrin","Crystal structure of bis(tetrabutylammonium) tetradecabromohexamolybdate, [(C~4~H~9~)~4~N]~2~[Mo~6~Br~14~], at 100 K and 293 K","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","116","118","","","x-ray","0.71069","MoKα","","0.0972","0.0382","","","0.0574","0.0719","","","","","","1.017","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101712","8.8812","0.0005","20.295","0.0012","14.3945","0.0008","90","","107.882","0.001","90","","2469.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-phthaloylpicoloylhydrazide","","- C14 H9 N3 O3 -","- C14 H9 N3 O3 -","- C112 H72 N24 O24 -","8","2","","L.-X. Shi; W.-S. Wu; J.-C. Dai; J.-M. Lin","Crystal structure of N,N-phthaloylpicoloylhydrazide, C~14~H~9~N~3~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","93","94","","","","0.71073","MoKα","","0.0664","0.0422","","","0.1082","0.1231","","","","","","1.045","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101713","23.241","0.003","23.241","0.003","17.08","0.003","90","","90","","120","","7990","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","N,O-(1-methyl-3-oxobutyliden)-N',N""-(1-methyl-2-isonitroso- 3-oxo-3-phenyl-propyliden)ethylenediaminenickel(II)","","- C17 H19 N3 Ni O3 -","- C51 H57 N9 Ni3 O9 -","- C306 H342 N54 Ni18 O54 -","6","0.333333","","Y.-L. Feng; G.-J. Zhang","Crystal structure of N,O-(1-methyl-3-oxobutyliden)-N',N""-(1-methyl- 2-isonitroso-3-oxo-3-phenyl-propyliden)ethylenediaminenickel(II), Ni(C~17~H~19~N~3~O~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","97","98","","","","0.71073","MoKα","","0.1644","0.0883","","","0.205","0.243","","","","","","1.022","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101714","7.2466","0.0006","14.2417","0.0011","14.5062","0.0011","90","","90","","90","","1497.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-Lutidine hydrochloride","2,6-dimethylpyridinium hydrochloride","","- C7 H10 Cl N -","- C7 H10 Cl N -","- C56 H80 Cl8 N8 -","8","1","","H. Nuss; J. Nuss; M. Jansen","Crystal structure of 2,6-dimethylpyridinium hydrochloride, (C~7~H~10~N)Cl","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","95","96","","","","0.71073","MoKα","","0.0665","0.0489","","","0.1233","0.1366","","","","","","1.08","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101715","7.7843","0.0016","21.977","0.004","11.129","0.002","90","","90","","90","","1903.9","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","triaquabis(vanillin-O,O')nitritogadolinium(III)","","- C16 H20 Gd N O11 -","- C16 H20 Gd N O11 -","- C64 H80 Gd4 N4 O44 -","4","0.5","","G.-L. Zhao; Y.-L. Feng","Crystal structure of triaquabis(vanillin-O,O')nitritogadolinium(III), Gd(H~2~O)~3~(C~8~H~7~O~3~)~2~(NO~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","99","100","","","","0.71073","MoKα","","0.0197","0.0183","","","0.0476","0.0483","","","","","","1.043","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101716","24.348","0.004","8.088","0.002","7.623","0.004","90","","90","","90","","1501.2","0.9","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","2-ethyl-6-methylanilinium dihydrogenphosphate phosphoric acid","","","- C9 H19 N O8 P2 -","- C9 H19 N O8 P2 -","- C36 H76 N4 O32 P8 -","4","1","","Belam, W.; Khedhiri, L.; Daoud, A.","Crystal structure of 2-ethyl-6-methylanilinium dihydrogenphosphate phosphoric acid, (C~9~H~14~N)H~2~PO~4~ · H~3~PO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","147","148","10.1524/ncrs.2005.220.14.157","","","0.5608","AgKα","","0.0386","0.039","","","","0.049","","","1.325","","","1.32","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101717","8.4352","0.0016","10.4102","0.0011","13.802","0.002","106.367","0.014","99.843","0.016","96.037","0.018","1130.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","N,N,N',N'-tetraphenyl-1,4-benzenediamine","","- C30 H24 N2 -","- C30 H24 N2 -","- C60 H48 N4 -","2","1","","H.-G. Zhang; W.-T. Yu; L. Wang; J.-X. Yang; Z. Liu; X.-T. Tao; M.-H. Jiang","Crystal structure of N,N,N',N'-tetraphenyl-1,4-benzenediamine, C~30~H~24~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","101","102","","","","0.71073","MoKα","","0.15","0.0501","","","0.0952","0.1317","","","","","","0.889","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101718","6.465","0.003","10.658","0.004","11.08","0.004","85.153","0.006","78.525","0.006","79.65","0.006","735.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-phenylmethylidene-3-(2'-fluorobenzyl)-2-thio-4-imidazolidinone","","- C17 H13 F N2 O S -","- C17 H13 F N2 O S -","- C34 H26 F2 N4 O2 S2 -","2","1","","F.-L. Yang; S.-J. Cao; Z.-J. Liu; M.-W. Ding","Crystal structure of 5-phenylmethylidene-3-(2'-fluorobenzyl)-2-thio- 4-imidazolidinone, C~17~H~13~FN~2~OS","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","119","120","","","","0.71073","MoKα","","","0.038","","","","0.0951","","","","","","1.068","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101719","10.8683","0.0006","11.5289","0.0007","13.0918","0.0007","70.242","0.001","70.51","0.001","70.808","0.001","1411.59","0.14","294","","294","","","","","","","","","5","P -1","-P 1","2","","tetrakis(isopropyldiphenylphosphine)di(μ-iodo)dicopper(I)","","- C60 H68 Cu2 I2 P4 -","- C60 H68 Cu2 I2 P4 -","- C60 H68 Cu2 I2 P4 -","1","0.5","","M. Fettouhi; Z. S. Seddigi","Crystal structure of tetrakis(isopropyldiphenylphosphine)di(μ- iodo)dicopper(I), Cu~2~I~2~(PC~17~H~17~)~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","137","138","","","","0.71073","MoKα","","0.0373","0.0328","","","0.0826","0.0842","","","","","","1.002","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101720","10.898","0.0007","23.4492","0.0017","14.8137","0.001","90","","110.57","0.03","90","","3544.3","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aquabis(1,10-phenanthroline)-μ-(1,1'-biphenyl-2,2'- dicarboxylato)dinitratodilead(II)","","- C38 H26 N6 O11 Pb2 -","- C152 H104 N24 O44 Pb8 -","- C152 H104 N24 O44 Pb8 -","1","0.25","","Miao, Q.; Zhao, Y.-J.; Cheng, Y.-Q.; Hu, M.-L.","Crystal structure of aquabis(1,10-phenanthroline)-μ-(1,1'-biphenyl-2,2'- dicarboxylato)dinitratodilead(II), Pb~2~(C~12~H~8~N~2~)~2~(C~14~H~8~O~4~) (H~2~O)(NO~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","159","161","","","","0.71073","MoKα","","0.0419","0.029","","","0.0646","0.0702","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101721","8.9752","0.0007","10.3522","0.0009","12.0167","0.001","95.275","0.001","94.078","0.002","93.317","0.002","1106.63","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","aqua(1,10-phenanthroline)(2-amino-1,4-benzenedicarboxylato)copper(II) N,N'-dimethylformamide solvate","","- C23 H22 Cu N4 O6 -","- C23 H22 Cu N4 O6 -","- C46 H44 Cu2 N8 O12 -","2","1","","Ma, A.-Q.; Cai, G.-Q.; Zhu, L.-G.","Crystal structure of aqua(1,10-phenanthroline)(2-amino-1,4- benzenedicarboxylato)copper(II) dimethylformamide solvate, Cu(H~2~O)(C~12~H~8~N~2~)(C~8~H~5~NO~4~) · (CH~3~)~2~NCHO","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","139","140","","","","0.71073","MoKα","","0.0453","0.0408","","","0.106","0.108","","","","","","1.075","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101722","10.0098","0.0002","8.7334","0.0002","19.445","0.0006","90","","97.046","0.001","90","","1687.04","0.07","173","0.2","173","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ind*(CO)3MoRu(CO)2Cp","(η^5^-indenyl) (η^5^-cyclopentadienyl) pentacarbonylcarbonyl molybdenum ruthenium","","- C19 H12 Mo O5 Ru -","- C19 H12 Mo O5 Ru -","- C76 H48 Mo4 O20 Ru4 -","4","1","","T. Straub; M. Nissinen","Crystal structure of (η^5^-indenyl) (η^5^-cyclopentadienyl) pentacarbonyl molybdenum ruthenium (Mo-Ru), (C~5~H~5~)(CO)~2~MoRu (CO)~3~(C~9~H~7~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","133","134","","","","0.71073","MoKα","","0.0262","0.0229","","","0.055","0.0565","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101723","8.4763","0.0007","13.135","0.002","15.418","0.003","83.99","0.02","76.596","0.013","86.558","0.012","1659.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","dichloro-triethylphosphine-12-(3,4-dimethoxyphenyl)-4,5-dimethoxy- 11,13-diaza-tricyclo[7.3.1.0^2,7^]trideca-2(7),3,5-trien-10-one- palladium(II)","","- C29 H45 Cl2 N2 O6 P Pd -","- C29 H45 Cl2 N2 O6 P Pd -","- C58 H90 Cl4 N4 O12 P2 Pd2 -","2","1","","B. Miller; M. Rüth; K. Polborn; W. Steglich; W. Beck","Crystal structure of dichlorotriethylphosphine{12- (3,4-dimethoxyphenyl)- 4,5-dimethoxy-11,14-diaza-tricyclo[7.4.1.0^2,7^]tetradeca-2(7),3,5- trien-10-one}palladium(II) methanol solvate, PdCl~2~[P(C~2~H~5~)~3~] (C~22~H~26~N~2~O~5~) · CH~3~OH","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","145","146","","","","0.71073","MoKα","","0.043","0.0336","","0.0865","0.0803","","","","1.044","1.054","1.054","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101724","9.8316","0.0002","10.0682","0.0002","22.5002","0.0005","90","","90","","90","","2227.22","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","aqua(2,2'-bipyridine-N,N')bis(2-fluorobenzoato)cadmium(II)","","- C24 H18 Cd F2 N2 O5 -","- C24 H18 Cd F2 N2 O5 -","- C96 H72 Cd4 F8 N8 O20 -","4","1","","Zhang, B.-S.; Zeng, X.-R.; Fang, X.-N.; Huang, C.-F.","Crystal structure of aqua(2,2'-bipyridine-N,N')bis(2-fluorobenzoato) cadmium(II), Cd(H~2~O)(C~10~H~8~N~2~)(C~7~H~4~FO~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","141","142","","","","0.71073","MoKα","","0.1008","0.0271","","","0.0656","0.0692","","","","","","1.005","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101725","10.1931","0.0008","11.9627","0.0007","20.2987","0.0015","90","","95.131","0.004","90","","2465.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-bis(4-hydroxy-pyrimid-6-on-2-thion-5-yl)-1""-(4-nitrophenyl)methane pyridinium salt methanol solvate monohydrate","","- C21 H22 N6 O8 S2 -","- C21 H22 N6 O8 S2 -","- C84 H88 N24 O32 S8 -","4","1","","K. Van Hecke; P. Nockemann; L. Van Meervelt","Crystal structure of pyridinium 1,1'-bis(4-hydroxy- pyrimid-6-on-2- thion-5-yl)-1''-(4-nitrophenyl)methane methanol solvate monohydrate, (C~5~H~6~N)(C~15~H~10~N~5~O~6~S~2~) · CH~3~OH · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","155","156","","","","1.54178","CuKα","","0.1058","0.0791","","","0.2078","0.2292","","","","","","1.082","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101726","5.117","0.005","8.054","0.005","11.9","0.005","75.44","0.005","80.553","0.005","78.135","0.005","461.2","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","phenoxy-2-acetic 2,4-dimethyl acid","","","- C10 H12 O3 -","- C10 H12 O3 -","- C20 H24 O6 -","2","1","","Adohi-Krou, A.; Coulibaly, V.; Sissouma, D.; Tenon, A. J.; Porcher, F.","Crystal structure of 2,4-dimethyl-phenoxy-2-acetic acid, C~10~H~12~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","157","158","","","","0.71069","MoKα","","0.0691","0.0639","","","0.1742","0.1825","","","","","","1.052","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101727","23.318","0.005","12.097","0.002","19.446","0.004","90","","114.34","0.03","90","","4998","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris(1,10-phenanthroline-N,N')iron(II) suberate tetradecahydrate","","- C44 H64 Fe N6 O18 -","- C44 H64 Fe N6 O18 -","- C176 H256 Fe4 N24 O72 -","4","0.5","","Z.-F. Li; Y.-Q. Zheng","Crystal structure of tris(1,10-phenanthroline-N,N')iron(II) suberate tetradecahydrate, [Fe(C~12~H~8~N~2~)~3~](C~8~H~12~O~4~) · 14H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","162","164","","","","0.71073","MoKα","","0.0765","0.0488","","","0.1153","0.1284","","","","","","1.011","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101728","10.725","0.003","14.328","0.003","23.814","0.006","90","","90","","90","","3659.4","1.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-4-methyl-2,4,6-triphenyl-4H-thiopyran-1-oxide","","- C24 H20 O S -","- C24 H20 O S -","- C192 H160 O8 S8 -","8","2","","Jafarpour, F.; Pirelahi, H.","Crystal structures of cis- and trans-4-methyl-2,4,6-triphenyl-4H-thiopyran- 1-oxide, C~24~H~20~OS","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","165","168","","","","0.71073","MoKα","","0.0752","0.0542","","","0.0925","0.0983","","","","","","1.006","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101729","10.879","0.016","16.9","0.02","13.211","0.018","90","","110.47","0.02","90","","2276","5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Pd{Na[(C~15~H~22~O~5~)(H~2~O)]}~2~(SCN)~4~","bis(μ-thiocyanato-N,S)bis[aqua-(3-methylbenzo-15-crown-5)sodium]bis (thiocyanato-S)palladium(II)","","- C34 H48 N4 Na2 O12 Pd S4 -","- C34 H48 N4 Na2 O12 Pd S4 -","- C68 H96 N8 Na4 O24 Pd2 S8 -","2","0.5","","M.-J. Niu; D.-C. Li; J.-M. Dou; D.-Q. Wang","Crystal structure of bis(μ-thiocyanato-N,S)bis[aqua-(3-methylbenzo- 15-crown-5)sodium]bis(thiocyanato-S)-palladium(II), [Na(C~15~H~22~O~5~) (H~2~O)]~2~[Pd(SCN)~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","185","187","","","","0.71073","MoKα","","0.0882","0.0427","","","0.0788","0.0913","","","","","","0.898","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101730","21.194","0.011","16.814","0.008","13.218","0.007","90","","105.33","0.007","90","","4543","4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(μ-thiocyanato-N,S)bis[aqua-(3-methylbenzo-15-crown-5)sodium]bis (thiocyanato-S)platinum(II)","","- C34 H48 N4 Na2 O12 Pt S4 -","- C34 H48 N4 Na2 O12 Pt S4 -","- C136 H192 N16 Na8 O48 Pt4 S16 -","4","1","","M.-J. Niu; D.-C. Li; J.-M. Dou; D.-Q. Wang","Crystal structure of bis(μ-thiocyanato-N,S)bis[aqua(3-methylbenzo- 15-crown-5)sodium]bis(thiocyanato-S)platinum(II), [Na(C~15~H~22~O~5~) (H~2~O)]~2~[Pt(SCN)~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","188","190","","","","0.71073","MoKα","","0.0605","0.0319","","","0.0635","0.0722","","","","","","1.002","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101731","10.53","0.004","11.955","0.005","13.698","0.006","85.036","0.007","74.511","0.006","89.404","0.007","1655.4","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tetranitropalladato(II)tetrakis[(15-crown-5)sodium] tetranitropalladate(II)","","- C40 H80 N8 Na4 O36 Pd2 -","- C40 H80 N8 Na4 O36 Pd2 -","- C40 H80 N8 Na4 O36 Pd2 -","1","0.5","","Y. Liu; D.-C. Li; J.-M. Dou; D.-Q. Wang","Crystal structure of tetranitropalladato(II)tetrakis[(15-crown-5)sodium] tetranitropalladate(II), {[Na(C~10~H~20~O~5~)]~4~Pd(NO~2~)~4~}[Pd (NO~2~)~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","191","193","","","","0.71073","MoKα","","0.1003","0.0618","","","0.1384","0.1519","","","","","","1.001","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101732","7.342","0.002","23.138","0.008","15.896","0.005","90","","99.257","0.006","90","","2665.2","1.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","aqua-15-crown-5-sodium bis(1,2-dicyanoethene-1,2-dithiolato-S,S')cuprate(II)","","- C18 H22 Cu N4 Na O6 S4 -","- C18 H22 Cu N4 Na O6 S4 -","- C72 H88 Cu4 N16 Na4 O24 S16 -","4","1","","Feng, S.-C.; Li, D.-C.","Crystal structure of aqua-15-crown-5-sodium bis(1,2-dicyanoethene-1,2- dithiolato-S,S')cuprate(II), [Na(C~10~H~20~O~5~)(H~2~O)][Cu(C~4~N~2~S~2~)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","194","196","","","","0.71073","MoKα","","0.1043","0.0438","","","0.0887","0.1343","","","","","","0.852","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101733","9.703","0.004","13.621","0.006","15.181","0.007","78.287","0.006","77.735","0.006","82.941","0.006","1913.1","1.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","bis(15-crown-5)potassium bis(1,2-dicyanoethene-1,2-dithiolate-S,S')aurate(I)","","- C28 H40 Au K N4 O10 S4 -","- C28 H40 Au K N4 O10 S4 -","- C56 H80 Au2 K2 N8 O20 S8 -","2","1","","Niu, M.-J.; Kong, L.-Q.; Li, D.-C.; Dou, J.-M.","Crystal structure of bis(15-crown-5)potassium bis(1,2-dicyanoethene- 1,2-dithiolate-S,S')aurate(I), [K(C~10~H~20~O~5~)~2~][Au(C~4~N~2~S~2~)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","327","329","","","","0.71073","MoKα","","0.0564","0.04","","","0.1003","0.1084","","","","","","1.052","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101734","12.241","0.007","12.583","0.008","12.585","0.008","88.711","0.009","65.351","0.009","65.629","0.009","1578.4","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis{[acetonitrile-N-(3,6'-dimethyldibenzo-18-crown-6)]potassium-bis(1,1- dicyanoethenedithiolato-S,S')]nickel(II)","","- C56 H62 K2 N6 Ni O12 S4 -","- C56 H62 K2 N6 Ni O12 S4 -","- C56 H62 K2 N6 Ni O12 S4 -","1","0.5","","D.-C. Li; S.-C. Feng; J.-M. Dou; D.-Q. Wang","Crystal structure of bis[{acetonitrile-N-3,6'-bis(methylbenzo)-18- crown-6}potassium]bis(1,1-dicyanoethene- 2,2-dithiolato-S,S')nickel (II), [{K(C~22~H~28~O~6~)(CH~3~CN)}~2~{Ni(C~4~N~2~S~2~)}~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","330","332","","","","0.71073","MoKα","","0.1097","0.0729","","","0.179","0.2045","","","","","","0.946","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101735","7.859","0.003","7.902","0.003","7.993","0.003","106.786","0.006","95.475","0.005","113.452","0.005","423.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tetraaquabis(μ-fumarato)oxalatodiyttrium hydrate","","- C5 H7 O8.5 Y -","- C5 H7 O8.5 Y -","- C10 H14 O17 Y2 -","2","1","","X. Li; Y.-Q. Zou","Crystal structure of tetraaquabis(μ~4~-fumarato)- μ~2~- oxalatodiyttrium(III) hydrate, Y~2~(H~2~O)~4~(C~2~O~4~)(C~4~H~2~O~4~) ~2~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","169","170","","","","0.71073","MoKα","","0.0515","0.0474","","","0.1263","0.1295","","","","","","1.062","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101736","10.151","0.0014","28.659","0.004","9.286","0.002","90","","110.175","0.011","90","","2535.7","0.8","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","bis(tetra-n-butylammonium)bis(1,3-dithiole-2-thione-4,5-dithiolato)mercury(II)","","- C38 H72 Hg N2 S10 -","- C38 H72 Hg N2 S10 -","- C76 H144 Hg2 N4 S20 -","2","1","","Wang, X.-Q.; Yu, W.-T.; Xu, D.; Li, T.-B.; Wang, Y.-L.; Zhang, G.-H.; Xue, G.; Yang, H.-L.; Ren, Q.","Crystal structure of bis(tetra-n-butylammonium) bis(1,3-dithiole-2- thione-4,5-dithiolato)mercurate(II), [(C~4~H~9~)~4~N]~2~[Hg(C~3~S~5~)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","177","179","","","","0.71073","MoKα","","0.195","0.0727","","","0.1445","0.1942","","","","","","0.967","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101737","8.644","0.001","9.94","0.001","13.915","0.001","74.954","0.007","85.014","0.004","86.633","0.007","1149.4","0.2","293","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 F N6 O10 -","- C22 H21 F N6 O10 -","- C44 H42 F2 N12 O20 -","2","1","","R.-D. Hu; Q.-S. Yu","Crystal structure of norfloxacin picrate, (C~16~H~19~FN~3~O~3~)[C~6~H~2~ (NO~2~)~3~O]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","171","172","","","","0.7107","MoKα","","","0.059","","","","0.167","","","","","","1.005","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101738","15.196","0.003","13.43","0.003","7.36","0.0015","90","","97.83","0.03","90","","1488","0.5","120","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-chloro-3-(N-acetyl)phenylamino-1,4-naphthoquinone","","- C18 H12 Cl N O3 -","- C18 H12 Cl N O3 -","- C72 H48 Cl4 N4 O12 -","4","1","","F.-L. Yang; T. Win; S. Bittner","Crystal structure of 2-chloro-3-(N-acetyl)phenylamino- 1,4-naphthoquinone, C~18~H~12~ClNO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","173","174","","","","0.71073","MoKα","","0.0588","0.042","","","0.0998","0.1091","","","","","","1.041","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101739","12.388","0.002","19.225","0.003","18.534","0.003","90","","90","","90","","4414","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(R,R,R~S~;S,S,S~S~) 4-bromobenzylsulfinylacetic acid N,N-bis-1-(phenylethyl)amide","","- C24 H24 Br N O2 S -","- C24 H24 Br N O2 S -","- C192 H192 Br8 N8 O16 S8 -","8","1","","Jablonska-Pikus, T.; Kosior, J.; Kurys, K.; Koziol, A. E.","Crystal structure of (R,R,R~S~;S,S,S~S~)-4-bromobenzyl-sulfinylacetic acid N,N-bis-1-(phenylethyl)amide, C~24~H~24~BrNO~2~S","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","175","176","","","","1.54178","CuKα","","0.1669","0.0538","","","0.0887","0.1147","","","","","","0.97","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101740","6.894","0.003","9.185","0.002","12.07","0.004","76.01","0.02","88.34","0.02","86.87","0.03","740.4","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","R-(-)-clenbuterol","R-(-)-1-(4-amino-3,5-dichloro-phenyl)-2-tert-butylaminoethanol hydrochloride","","- C12 H19 Cl3 N2 O -","- C12 H19 Cl3 N2 O -","- C24 H38 Cl6 N4 O2 -","2","2","","G.-V. Röschenthaler; E. Lork; D. V. Sevenard; W. Greb","Crystal structures of R-(-)- and S-(+)-1-(4-amino-3,5-dichlorophenyl)- 2-tert-butylaminoethanol hydrochloride, (C~12~H~19~Cl~2~N~2~O)Cl","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","180","182","","","","0.71073","MoKα","","0.079","0.0576","","","0.1538","0.1704","","","","","","1.045","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101741","7.048","0.001","7.149","0.001","13.733","0.002","90.73","0.01","90.55","0.01","118.79","0.01","606.27","0.16","293","2","293","2","","","","","","","synthesis","5","P -1","-P 1","2","hexaaquacobalt(II) bis(3-carboxy-4-hydroxy-benzenesulfonate) dihydrate","hexaaquacobalt(II) bis(3-carboxy-4-hydroxy-benzenesulfonate) dihydrate","","- C14 H26 Co O20 S2 -","- C14 H26 Co O20 S2 -","- C14 H26 Co O20 S2 -","1","0.5","","Abdelhak, J.; Namouchi Cherni, S.; Jouini, T.","Crystal structure of hexaaquacobalt(II) bis(3-carboxy-4-hydroxy- benzenesulfonate) dihydrate, [Co(H~2~O)~6~][C~7~H~5~O~3~SO~3~]~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","183","184","","","","0.71073","MoKα","","0.0275","0.0254","","","0.0687","0.0699","","","","","","1.161","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101742","27.444","0.006","6.5791","0.0013","16.574","0.003","90","","106.89","0.03","90","","2863.5","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-4-chloro-benzaldene-1-aminoadamantane","N-(4-chlorobenzylidene)-1-adamantylamine","","- C17 H20 Cl N -","- C17 H20 Cl N -","- C136 H160 Cl8 N8 -","8","1","","Zhao, G.-L.; Feng, Y.-L.","Crystal structure of N-(4-chlorobenzylidene)-1-adamantylamine, C~17~H~20~ClN, a Schiff base","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","197","198","","","","0.71073","MoKα","","0.0523","0.0446","","","0.1191","0.1247","","","","","","1.021","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101743","15.017","0.003","15.107","0.003","10.015","0.002","90","","118.68","0.03","90","","1993.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(nitrito-N)(1,10-phenanthroline-N,N')(2,4-pentanedionato-O,O')cobalt(III)","","- C17 H15 Co N4 O6 -","- C17 H15 Co N4 O6 -","- C68 H60 Co4 N16 O24 -","4","0.5","","Y.-L. Feng; H. Lin","Crystal structure of bis(nitrito-N)(1,10-phenanthroline-N,N') (2,4- pentanedionato-O,O')cobalt(III), Co(NO~2~)~2~(C~12~H~8~N~2~)(C~5~H~7~O~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","199","200","","","","0.71069","MoKα","","0.0696","0.0563","","","0.1738","0.1881","","","","","","1.046","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101744","8.014","0.0016","11.822","0.002","15.795","0.003","94.26","0.03","93.87","0.03","98.53","0.03","1471.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tetrachloro-bis(1,10-phenanthroline-N,N')(μ-oxo)diiron(III) trichloromethane solvate","","- C25 H17 Cl7 Fe2 N4 O -","- C25 H17 Cl7 Fe2 N4 O -","- C50 H34 Cl14 Fe4 N8 O2 -","2","1","","Feng, Y.-L.","Crystal structure of bis(1,10-phenanthroline-1κN,κN')-tetrachloro- 1κCl,2κ^3^Cl-μ-oxo-1:2κ^2^O-diiron(III) trichloromethane solvate, [FeCl(C~12~H~8~N~4~)~2~]O(FeCl~3~) · CHCl~3~, a dinuclear iron(III) complex with an unsymmetrical μ-oxo bridge","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","201","202","","","","0.71069","MoKα","","0.0767","0.0659","","","0.1642","0.1714","","","","","","1.054","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101745","7.612","0.004","12.857","0.006","16.753","0.008","111.856","0.006","100.449","0.006","92.35","0.007","1485.9","1.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","cyclo-bis{[(15-crown-5)sodium][1,2-dicyanoethene-1,2-dithiolato-aurate(I)]} 1,2-dichloroethane solvate","","- C46 H44 Au2 Cl2 N8 Na2 O10 S8 -","- C46 H44 Au2 Cl2 N8 Na2 O10 S8 -","- C46 H44 Au2 Cl2 N8 Na2 O10 S8 -","1","0.5","","Song, X.-M.; Li, D.-C.; Wei, J.-F.; Dou, J.-M.","Crystal structure of cyclo-bis{[(benzo-15-crown-5)-sodium] [1,2-dicyanoethene- 1,2-dithiolato-aurate(I)]} 1,2-dichloroethane solvate, {[Na(C~14~H~20~O~5~)] [Au(C~4~N~2~S~2~)~2~]}~2~ · C~2~H~4~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","231","233","","","","0.71073","MoKα","","0.0384","0.0288","","","0.0475","0.0491","","","","","","1.052","","","","has coordinates","211402","2020-10-21","18:00:00",""
"8101746","9.5259","0.0018","11.078","0.002","17.245","0.003","99.475","0.003","102.564","0.003","102.145","0.003","1693.8","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","2,6-dithiopurinato-bis[chlorodiphenyltin(IV)] ethanol solvate","","- C31 H28 Cl2 N4 O S2 Sn2 -","- C31 H28 Cl2 N4 O S2 Sn2 -","- C62 H56 Cl4 N8 O2 S4 Sn4 -","2","1","","C.-L. Ma; Y. Shi; R.-F. Zhang","Crystal structure of 2,6-dithiopurinato-bis[chloro-diphenyltin(IV)] ethanol solvate, [(C~6~H~5~)~2~SnCl]~2~(C~5~H~2~N~4~S~2~) · C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","203","204","","","","0.71073","MoKα","","0.0657","0.0389","","","0.1037","0.1248","","","","","","0.996","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101747","11.981","0.002","14.89","0.004","17.239","0.004","90","","90","","90","","3075.4","1.2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(4-chlorophenyl)-2-[(4-nitro phenyl)imino]-1,3-thiazolan-4-one","","- C15 H10 Cl N3 O3 S -","- C15 H10 Cl N3 O3 S -","- C120 H80 Cl8 N24 O24 S8 -","8","1","","F. Matloubi Moghaddam; L. Hojabri","Crystal structure of 3-(4-chlorophenyl)-2-[(4-nitro-phenyl)imino]- 1,3-thiazolan-4-one, C~15~H~10~ClN~3~O~3~S","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","205","206","","","","0.71073","MoKα","","0.0793","0.0532","","","0.1133","0.123","","","","","","1.012","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101748","9.8053","0.0007","10.9184","0.0008","15.3758","0.0015","90","","90","","90","","1646.1","0.2","293","","293","","","","","","","","IVAX Pharmaceuticals, Czech Republic","4","P 21 21 21","P 2ac 2ab","19","","1-methyl-10α-methoxy-9,10-dihydrolysergol","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","Cejka, J.; Kratochvíl, B.; Cvak, L.; Jegorov, A.","Crystal structure of 1-methyl-10α-methoxy-9,10-dihydrolysergol, C~18~H~24~N~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","207","208","","","","1.5418","CuKα","","0.0368","0.0362","","0.0457","0.0449","0.0449","","","","","","1.0856","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101749","10.22","0.008","13.827","0.011","16.361","0.013","92.442","0.013","95.633","0.014","111.052","0.012","2140","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","heptaaqua-7-methoxy-4'-hydroxyisoflavone-3'-sulfonato-strontium(II) 7-methoxy-4'-hydroxyisoflavone-3'-sulfonate hexahydrate","","- C32 H48 O27 S2 Sr -","- C32 H48 O27 S2 Sr -","- C64 H96 O54 S4 Sr2 -","2","1","","X.-B. Wang; Z.-T. Zhang","Crystal structure of heptaaqua-7-methoxy-4'-hydroxy-isoflavone-3'- sulfonato-strontium(II) 7-methoxy-4'-hydroxyisoflavone-3'-sulfonate hexahydrate, [Sr(H~2~O)~7~(C~16~H~11~O~4~SO~3~)][C~16~H~11~O~4~SO~3~] · 6H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","223","225","","","","0.71073","MoKα","","0.1356","0.0536","","","0.0962","0.1213","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101750","16.9339","0.0018","10.5113","0.0011","7.2284","0.0007","90","","110.643","0.002","90","","1204","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(mu-chloro)(1,10-phenanthroline)cadmium(II)","","- C12 H8 Cd Cl2 N2 -","- C12 H8 Cd Cl2 N2 -","- C48 H32 Cd4 Cl8 N8 -","4","0.5","","H.-Y. He; Y.-L. Zhou; J. Chen; L.-G. Zhu","Crystal structure of bis(μ-chloro)(1,10-phenanthroline-N,N') cadmium(II), CdCl~2~(C~12~H~8~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","209","210","","","","0.71073","MoKα","","0.0347","0.0293","","","0.0463","0.0477","","","","","","0.925","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101751","11.368","0.002","12.212","0.002","13.944","0.003","110.73","0.03","105.02","0.03","104.02","0.03","1624.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis[(2-bromobenzoato)(1,10-phenanthroline-N,N')bis(μ-2-bromobenzoato) holmium(III)]","","- C66 H40 Br6 Ho2 N4 O12 -","- C66 H40 Br6 Ho2 N4 O12 -","- C66 H40 Br6 Ho2 N4 O12 -","1","0.5","","B.-S. Zhang; X.-C. Zhu; Y.-Y. Yu; L. Chen; Z.-B. Chen; Y.-M. Hu","Crystal structure of bis[(1,10-phenanthroline-N,N')-(2-bromobenzoato) bis(μ-2-bromobenzoato)holmium(III)], [Ho(C~12~H~8~N~2~)(BrC~7~H~4~O~2~) ~3~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","211","212","","","","0.71073","MoKα","","0.0718","0.0563","","","0.1598","0.171","","","","","","1.065","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101752","12.284","0.002","17.594","0.003","6.1338","0.0007","90","","94.67","0.01","90","","1321.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(1-nitrobutylidene)-2-(2,4-dinitrophenyl)hydrazine","","- C10 H11 N5 O6 -","- C10 H11 N5 O6 -","- C40 H44 N20 O24 -","4","1","","D.-S. Yang","Crystal structure of (E)-1-(1-nitrobutylidene)-2-(2,4-dinitrophenyl)- hydrazine, C~1~0H~11~N~5~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","213","214","","","","0.71073","MoKα","","0.0594","0.0356","","","0.0891","0.0956","","","","","","0.954","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101753","14.794","0.0007","5.461","0.0001","18.042","0.0009","90","","93.812","0.001","90","","1454.39","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethyl 2-(1-methyl-5-nitro-1H-imidazol-4-ylmethylene)malonate","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C48 H60 N12 O24 -","4","1","","M. D. Crozet; M. Giorgi; T. Terme; P. Vanelle","Crystal structure of diethyl 2-(1-methyl-5-nitro-1H-imidazol-4-ylmethylene) malonate, C~12~H~15~N~3~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","217","218","","","x-ray","0.71073","MoKα","","0.0538","0.0453","","","0.1132","0.1206","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"8101754","8.017","0.0001","23.673","0.0004","8.83","0.0001","90","","115.759","0.001","90","","1509.29","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diethyl 2-(2-methyl-5-nitrothiazol-4-ylmethylene)malonate","","- C12 H14 N2 O6 S -","- C12 H14 N2 O6 S -","- C48 H56 N8 O24 S4 -","4","1","","M. D. Crozet; M. Giorgi; T. Terme; P. Vanelle","Crystal structure of diethyl 2-(2-methyl-5-nitrothiazol-4-ylmethylene) malonate, C~12~H~14~N~2~O~6~S","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","219","220","","","","0.71073","MoKα","","0.0527","0.0476","","","0.1294","0.1335","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"8101755","10.748","0.001","16.038","0.001","18.019","0.002","90","","90","","90","","3106.1","0.5","273.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","μ~3~-chloro-μ~3~-hydroxo-tri(μ-chloro)- tris[tetramethylethylenediaminenickel(II)] chloride","","- C18 H49 Cl5 N6 Ni3 O -","- C18 H49 Cl5 N6 Ni3 O -","- C72 H196 Cl20 N24 Ni12 O4 -","4","1","","K. Miyamoto; R. Koizumi; E. Horn; Y. Fukuda","Refinement of the crystal structure of μ3-chloro-μ3- hydroxo-tris(μ-chloro)-tris[tetramethylethylenediamine-nickel (II)] chloride, {[Ni(C~6~H~16~N~2~)]~3~Cl~4~OH}Cl","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","226","228","","","","0.7107","MoKα","","","0.0432","","","","0.0492","","","","","","0.136","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101756","6.3676","0.0002","9.8475","0.0004","15.2298","0.0006","90","","93.015","0.002","90","","953.66","0.06","228","2","228","2","","","","","","","","4","P 1 c 1","P -2yc","7","","iodoferrocene","","- C10 H9 Fe I -","- C10 H9 Fe I -","- C40 H36 Fe4 I4 -","4","2","","G. Laus; K. Wurst; W. Stolz; H. Schottenberger","Crystal structure of iodoferrocene, Fe(C~5~H~4~I)(C~5~H~5~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","229","230","","","","0.71073","MoKα","","0.0202","0.0184","","","0.0375","0.0382","","","","","","1.082","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101757","7.924","0.002","13.2874","0.0012","16.138","0.004","90","","90","","90","","1699.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","triphenyl thiophosphate","","- C18 H15 O3 P S -","- C18 H15 O3 P S -","- C72 H60 O12 P4 S4 -","4","1","","J. Clade; M. Jansen","Crystal structures of triphenyl thiophosphate and selenophosphate, (C~6~H~5~)~3~PO~3~X (X = S, Se)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","234","236","","","","0.71073","MoKα","","0.0426","0.0269","","0.0974","0.0738","","","","1.325","1.107","1.107","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101758","8.1012","0.0009","21.113","0.002","14.014","0.002","90","","90","","90","","2397","0.5","273.2","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","cis-dichlorobis(5-methylisoxazole)platinum(II)","","- C8 H10 Cl2 N2 O2 Pt -","- C8 H10 Cl2 N2 O2 Pt -","- C64 H80 Cl16 N16 O16 Pt8 -","8","1","","E. Horn; A. Horiuchi; M. Yamanaka; M. Murakami; C. A. Horiuchi","Crystal structure of cis-dichlorobis(5-methyl-isoxazole)platinum(II), PtCl~2~(C~4~H~5~NO)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","239","240","","","","0.7107","MoKα","","","0.0353","","","","0.0402","","","","","","0.079","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101759","11.1122","0.0013","17.939","0.003","12.612","0.003","90","","92.407","0.002","90","","2511.9","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis((ethanol-O)[μ-2-(salicylhydrazono)propionato-N,O,O']di(2- fluorobenzyl)tin(IV)","","- C52 H52 F4 N4 O10 Sn2 -","- C52 H52 F4 N4 O10 Sn2 -","- C104 H104 F8 N8 O20 Sn4 -","2","0.5","","Feng, S.-C.; Yin, H.-D.; Li, D.-C.","Crystal structure of bis{(ethanol)[2-(salicylhydrazono)-propionato] di(2-fluorobenzyl)tin(IV)}, [(FC~6~H~4~CH~2~)~2~Sn(C~2~H~5~OH)(C~10~H~8~N~2~O~4~)]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","247","249","","","","0.71073","MoKα","","0.0634","0.0462","","","0.1121","0.1241","","","","","","1.065","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101760","7.768","0.003","20.393","0.003","9.615","0.006","90","","104.75","0.04","90","","1472.9","1.1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phenylpiperazinium tetrachlorozincate","","- C10 H16 Cl4 N2 Zn -","- C10 H16 Cl4 N2 Zn -","- C40 H64 Cl16 N8 Zn4 -","4","1","","I. Ben Garbia; R. Kefi; A. Rayes; C. Ben Nasr","Crystal structure of phenylpiperazinium tetrachlorozincate, (C~10~H~16~N~2~) [ZnCl~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","333","334","","","","0.7107","MoKα","","0.0232","0.023","","0.035","","0.035","","","1.895","","","1.9","","","","has coordinates","193981","2020-10-21","18:00:00",""
"8101761","6.5459","0.001","12.705","0.005","13.949","0.002","90","0.02","92.92","0.01","90","0.02","1158.6","0.5","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","piperazinium tetrachlorozincate monohydrate","","- C4 H14 Cl4 N2 O Zn -","- C4 H14 Cl4 N2 O Zn -","- C16 H56 Cl16 N8 O4 Zn4 -","4","1","","R. Kefi; C. Ben Nasr","Crystal structure of piperazinium tetrachlorozincate monohydrate, (C~4~H~12~N~2~)[ZnCl~4~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","241","242","","","","0.5608","AgKα","","0.0367","0.037","","0.039","","0.039","","","3.587","","","3.59","","","","has coordinates","193981","2020-10-21","18:00:00",""
"8101762","8.1835","0.0014","8.3545","0.0014","10.5287","0.0017","106.504","0.003","97.948","0.003","110.631","0.003","622.71","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-methyl-4-(methylthio)-2-(4-nitrobenzyl)oxazole","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C24 H24 N4 O6 S2 -","2","1","","Herrera, A.; Martínez-Álvarez, R.; Ramiro, P.; Rosario Torres, M.","Crystal structure of 5-methyl-4-(methylthio)-2-(4-nitrobenzyl)oxazole, C~12~H~12~N~2~O~3~S","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","243","244","","","","0.71073","MoKα","","0.0862","0.045","","","0.0964","0.1113","","","","","","0.889","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101763","11.5889","0.0006","7.8521","0.0004","15.712","0.0008","90","","108.816","0.002","90","","1353.34","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rubidium bis(salicylato)borate","","- C14 H8 B O6 Rb -","- C14 H8 B O6 Rb -","- C56 H32 B4 O24 Rb4 -","4","1","","Zhang, J.; Wang, J.; Huang, X.-Y.; Chen, J.-T.","Crystal structure of rubidium bis(salicylato)borate, Rb[B(OC~7~H~4~COO)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","261","262","","","","0.71073","MoKα","","0.0767","0.0617","","","0.1564","0.1736","","","","","","1.133","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101764","12.47","0.003","9.498","0.0019","17.043","0.003","90","","108.23","0.03","90","","1917.3","0.8","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-[diaqua-hexapyridinyl-bis(μ-sulfato)diiron(II)] tetrahydrate","","- C30 H42 Fe2 N6 O14 S2 -","- C30 H42 Fe2 N6 O14 S2 -","- C60 H84 Fe4 N12 O28 S4 -","2","0.5","","H.-Z. Shi; Z.-L. Li; Y.-K. Shan","Crystal structure of catena-[diaqua-hexapyridinyl-bis(μ-sulfato) diiron(II)] tetrahydrate, [Fe(C~5~H~5~N)~4~][Fe(H~2~O)~2~(C~5~H~5~N) ~2~](SO~4~)~2 ~· 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","245","246","","","","0.71073","MoKα","","0.0563","0.043","","","0.0822","0.086","","","","","","1.075","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101765","9.903","0.002","11.279","0.002","20.231","0.004","90","","92.43","0.03","90","","2257.7","0.8","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[1,2-ethylene-1,1'-bis(η^5^-tetrahydroindenyl)]-chloro-[η^2^-N,C-3,4,5,6- tetrafluoropyridyl]zirconium(IV)","","- C25 H24 Cl F4 N Zr -","- C25 H24 Cl F4 N Zr -","- C100 H96 Cl4 F16 N4 Zr4 -","4","1","","Spannenberg, A.; Jäger-Fiedler, U.; Arndt, P.; Rosenthal, U.","Crystal structure of [1,2-ethylene-1,1'-bis(η^5^-tetrahydroindenyl)]- chloro-[η^2^-N,C-3,4,5,6-tetrafluoropyridyl]zirconium(IV), ZrCl (C~5~F~4~N)(C~20~H~24~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","253","254","","","","0.71073","MoKα","","0.0515","0.0347","","","0.0764","0.0811","","","","","","1.004","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101766","17.875","0.004","6.8775","0.0016","29.747","0.007","90","","101.01","0.004","90","","3589.6","1.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-{[1-(4-dimethylaminophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2- dihydropyrazol-3-one","","- C20 H22 N4 O -","- C20 H22 N4 O -","- C160 H176 N32 O8 -","8","1","","X.-L. Zhang; Z.-X. Li","Crystal structure of 4-{[1-(4-dimethylaminophenyl)-methylidene]amino}- 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one, C~20~H~22~N~4~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","263","264","","","","0.71073","MoKα","","0.1197","0.0697","","","0.1491","0.1719","","","","","","1.044","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101767","13.412","0.002","9.16","0.002","18.128","0.003","90","","104.41","0.01","90","","2157","0.7","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","tetrakis(4-methoxybenzylammonium) cyclotetraphosphate tetrahydrate","","- C32 H56 N4 O20 P4 -","- C32 H56 N4 O20 P4 -","- C64 H112 N8 O40 P8 -","2","0.5","","H. Hemissi; S. Abid; M. Rzaigui","Crystal structure of tetrakis(4-methoxybenzyl-ammonium) cyclotetraphosphate tetrahydrate, (C~8~H~12~NO)~4~[P~4~O~12~] · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","265","266","","","","0.5608","AgKα","","0.0392","0.039","","0.043","","0.043","","","1.756","","","1.76","","","","has coordinates","193981","2020-10-21","18:00:00",""
"8101768","13.454","0.005","8.999","0.004","15.719","0.006","90","","90.232","0.009","90","","1903.1","1.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 2-(tert-butylamino)-5,7,7-trimethyl-5,6,7,8- tetrahydro-4H-chromene-3,4-dicarboxylate","","- C20 H30 N O5 -","- C20 H30 N O5 -","- C80 H120 N4 O20 -","4","1","","Zonouzi, A.; Rahmani, H.; Samareh Afsari, H.; Nezamabadi, M.","Crystal structure of dimethyl 2-(tert-butylamino)-5,7,7-trimethyl- 5,6,7,8-tetrahydro-4H-chromene-3,4-dicarboxylate, C~20~H~30~NO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","267","268","","","","0.71073","MoKα","","0.1046","0.073","","","0.1511","0.1609","","","","","","0.99","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101769","10.369","0.002","27.528","0.006","10.815","0.002","90","","107.98","0.03","90","","2936.3","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","isocalamendiol","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","4","","D. Ruiz-León; P. Rivera; I. Brito; M. Rodríguez; V. Manríquez","Crystal structure of isocalamendiol, C~15~H~26~O~2~, from Baccharis marginalis","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","355","357","","","","0.71073","MoKα","","0.1568","0.0413","","","0.0807","0.1052","","","","","","0.978","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101770","7.4861","0.0002","9.8257","0.0003","11.6947","0.0002","100.175","0.001","90.199","0.001","101.054","0.001","830.36","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","piperidinium 5-cyano-6-(3-chlorophenyl)-4-oxo-2-thiopyrimidinate","","- C16 H17 Cl N4 O S -","- C16 H17 Cl N4 O S -","- C32 H34 Cl2 N8 O2 S2 -","2","1","","Balalaie, S.; Bararjanian, M.; Rominger, F.","Crystal structure of piperidinium 5-cyano-6-(3-chlorophenyl)-4-oxo- 2-thiopyrimidinate, (C~5~H~12~N)[C~11~H~5~ClN~3~OS]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","269","270","","","","0.71073","MoKα","","0.0455","0.0331","","","0.0813","0.0872","","","","","","1.023","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101771","5.0299","0.001","18.894","0.004","36.178","0.007","90","","90","","90","","3438.2","1.2","100","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","p-methyl-N-(2-phenyl-1H-indol-7-yl)-benzene-sulfonamide","","- C21 H18 N2 O2 S -","- C21 H18 N2 O2 S -","- C168 H144 N16 O16 S8 -","8","1","","X.-H. Huang; Q.-F. Zhang; H. H. Y. Sung","Crystal structures of p-methyl-N-(2-phenyl-1H-indol-7-yl)-benzene- sulfonamide, C~21~H~18~N~2~O~2~S, and p-methoxy-N-(2-phenyl-1H-indol- 7-yl)-benzene-sulfonamide, C~21~H~18~N~2~O~3~S","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","258","260","","","","0.71073","MoKα","","0.073","0.0515","","","0.0942","0.1202","","","","","","0.963","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101772","10.4236","0.0012","10.8499","0.0009","11.4483","0.0015","109.435","0.006","92.016","0.004","112.162","0.003","1111.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(1,10-phenanthroline)lanthanum(III) tris(1,4-benzenedicarboxylate)","","- C24 H16 La N2 O7 -","- C24 H16 La N2 O7 -","- C48 H32 La2 N4 O14 -","2","1","","Li, X.; Wang, D.-Y.; Hu, H.-M.","Crystal structure of diaquabis(1,10-phenanthroline)-dilanthanum(III) tris(μ-1,4-benzenedicarboxylate), La~2~(H~2~O)~2~(C~12~H~8~N~2~) ~2~(C~8~H~4~O~4~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","271","272","","","","0.71073","MoKα","","0.0304","0.0292","","","0.0701","0.071","","","","","","1.043","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101773","12.66","0.006","13.8928","0.0013","13.448","0.008","90","","104.26","0.05","90","","2292.4","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","2","","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Cabral, A. M. T. D. V.; Barradas, F. I. F.; Paliteiro, C.; Sobral, A. J. F. N.","Crystal structure of 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole, C~24~H~24~N~4~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","273","274","","","","0.71073","MoKα","","0.3948","0.0747","","","0.1323","0.1994","","","","","","0.954","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101774","7.7011","0.0015","8.6774","0.0017","8.9183","0.0018","99.45","0.03","106.11","0.03","105.66","0.03","532.6","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ~2~-acetato)bis(2-aminopyrimidine)dizinc(II)","","- C16 H22 N6 O8 Zn2 -","- C16 H22 N6 O8 Zn2 -","- C16 H22 N6 O8 Zn2 -","1","0.5","","X.-S. Tai; L.-T. Wang; Y.-C. Zhang; Q.-G. Meng; C.-X. Du","Crystal structure of tetrakis(μ~2~-acetato)bis(2-amino-pyrimidine) dizinc(II), Zn~2~(CH~3~COO)~4~(C~4~H~3~N~2~NH~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","277","278","","","","0.71073","MoKα","","0.0361","0.0331","","","0.0872","0.0888","","","","","","1.087","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101775","10.6353","0.0009","8.4605","0.0007","11.2031","0.001","90","","100.799","0.004","90","","990.2","0.15","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,5-pentabromocyclopentane","","- C5 H5 Br5 -","- C5 H5 Br5 -","- C20 H20 Br20 -","4","1","","R. D. Ernst; C. Li; A. M. Arif","Crystal structure of 1,2,3,4,5-pentabromocyclopentane, C~5~H~5~Br~5~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","279","280","","","","0.71073","MoKα","","0.073","0.0474","","","0.1048","0.1198","","","","","","1.034","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101776","13.9659","0.0003","8.2642","0.0002","15.8814","0.0003","90","","101.184","0.0012","90","","1798.18","0.07","200","1","200","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetrachloro-bis(pyrazole)tungsten dimethoxyethane solvate","","- C10 H18 Cl4 N4 O2 W -","- C10 H18 Cl4 N4 O2 W -","- C40 H72 Cl16 N16 O8 W4 -","4","0.5","","R. D. Ernst; B. G. Harvey; A. M. Arif","Crystal structure of tetrachloro-bis(pyrazole)tungsten(IV) dimethoxyethane solvate, WCl~4~(C~3~H~4~N~2~)~2~ · (CH~3~OCH~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","281","282","","","","0.71073","MoKα","","0.0428","0.0366","","","0.0881","0.0915","","","","","","1.123","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101777","11.8613","0.0001","13.2907","0.0002","13.3311","0.0002","113.246","0.0007","97.4903","0.0009","111.045","0.0008","1709.05","0.04","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","bis(μ-oxo)hexakis(2,6-diisopropylphenoxy)ditantalum(V)","","- C72 H102 O8 Ta2 -","- C72 H102 O8 Ta2 -","- C72 H102 O8 Ta2 -","1","0.5","","R. D. Ernst; B. G. Harvey; A. M. Arif","Crystal structure of bis(μ-oxo)hexakis(2,6-diisopropyl-phenoxy) ditantalum(V), Ta~2~O~2~(C~12~H~17~O)~6~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","283","284","","","","0.71073","MoKα","","0.0336","0.0286","","","0.0633","0.0655","","","","","","1.065","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101778","8.196","0.0001","17.83","0.0004","41.908","0.001","90","","90","","90","","6124.2","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-benzoylmorphin-6-one-17-carboxamide","","- C74 H66 N6 O16 -","- C24.6667 H22 N2 O5.33333 -","- C296 H264 N24 O64 -","12","3","","M. Chudik; A. Jegorov; H. Petrickova; B. Kratochvil; I. Cisarova","Crystal structure of 3-benzoylmorphin-6-one-17-carboxamide ethanol solvate (1:0.333), C~24~H~20~N~2~O~5~ · 0.333 C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","348","350","","","","0.71073","MoKα","","0.0901","0.0659","","0.0914","0.0731","0.0731","","","","","","1.147","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101779","18.8003","0.0008","12.8757","0.0006","18.3032","0.0008","90","","97.416","0.001","90","","4393.5","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(pyrrolinedithiocarbamato)arsenic(III)","","- C15 H24 As N3 S6 -","- C15 H24 As N3 S6 -","- C120 H192 As8 N24 S48 -","8","2","","Y. Liu; E. R. T. Tiekink","Crystal structure of tris(pyrrolinedithiocarbamato)arsenic(III), As[S~2~CN(CH~2~)~4~]~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","339","341","","","","0.71069","MoKα","","0.085","0.068","","","0.146","0.153","","","","","","1.22","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101780","19.895","0.004","8.431","0.0017","16.394","0.003","90","","108.65","0.03","90","","2605.4","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-(9,10-dioxo-anthracene-1-ylamino-1,4-dienylamino))- 5-dimethylaminonaphthalene-sulfonamide","","- C32 H25 N3 O4 S -","- C32 H25 N3 O4 S -","- C128 H100 N12 O16 S4 -","4","1","","Illos, R. A.; Ergaz, I.; Bittner, S.","Crystal structure of N-[4-(9,10-dioxo-anthracene-1-yl-amino-1,4-dienylamino)]- 5-dimethylaminonaphthalene-sulfonamide, C~32~H~25~N~3~O~4~S","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","285","286","","","","0.71073","MoKα","","0.0709","0.0451","","","0.097","0.1046","","","","","","1.051","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101781","6.806","0.0002","16.7719","0.0006","6.813","0.0002","90","","106.621","0.001","90","","745.21","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","D-2-deoxy-2-fluoro-chiro-inositol","","- C6 H11 F O5 -","- C6 H11 F O5 -","- C24 H44 F4 O20 -","4","2","","H. Reinke; T. Pundt; R. Miethchen","Crystal structure of D-2-deoxy-2-fluoro-chiro-inositol, C~6~H~11~FO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","287","288","","","","0.71073","MoKα","","0.0351","0.0302","","","0.0641","0.0649","","","","","","0.994","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101782","5.8984","0.0012","17.148","0.003","12.5058","0.0019","90","","94.411","0.014","90","","1261.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-Chloro-3-isopropylamino-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C10 H12 Cl N3 O2 S -","- C10 H12 Cl N3 O2 S -","- C40 H48 Cl4 N12 O8 S4 -","4","1","","L. Dupont; B. Pirotte; P. de Tullio","Crystal structure of 7-chloro-3-isopropylamino-4H-1,2,4-benzothiadiazine 1,1-dioxide, C~10~H~12~ClN~3~O~2~S","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","353","354","","","","1.5418","CuKα","","0.1015","0.0425","","","0.0977","0.1095","","","","","","0.809","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101783","25.573","0.003","10.4527","0.0013","14.159","0.002","90","","113.674","0.008","90","","3466.3","0.8","120","2","120","2","","","","","","","","3","C 1 2 1","C 2y","5","","3β-[5-phenyl-(2E,4E)-penta-2,4-dienoyloxy]-olean-12-ene","","- C41 H58 O2 -","- C41 H58 O2 -","- C164 H232 O8 -","4","1","","Humberto, M. M. S.; Da Silva, V. R. M.; Sant'Ana, A. E. G.; De Simone, C. A.; Malta, V. R. S.; Pereira, M. A.","Crystal structure of 3β-[5-phenyl-(2E,4E)-penta-2,4-dienoyloxy]- olean-12-ene, C~41~H~58~O~2~, from Peltastes peltatus","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","358","360","","","","0.71073","MoKα","","0.1004","0.0689","","","0.1533","0.1798","","","","","","1.004","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101784","18.4439","0.0008","11.0999","0.0005","25.183","0.001","90","","97.037","0.001","90","","5116.8","0.4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexacarbonyl-bis(μ~2~-4-chlorophenylthiolato-S,S)diiron(I) diethyl ether hemisolvate","","- C20 H13 Cl2 Fe2 O6.5 S2 -","- C20 H13 Cl2 Fe2 O6.5 S2 -","- C160 H104 Cl16 Fe16 O52 S16 -","8","1","","C.-B. Ma; C.-N. Chen; Q.-T. Liu","Crystal structure of hexacarbonyl-bis(μ~2~-4-chlorophenylthiolato- S,S)-diiron(I) diethyl ether hemisolvate, Fe~2~(CO)~6~(ClC~6~H~4~S) ~2~ · ½(C~2~H~5~)~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","361","362","","","","0.71073","MoKα","","","0.0545","","","0.1454","0.1723","","","","","","1.067","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101785","9.581","0.001","16.381","0.002","17.803","0.002","90","","100.92","0.005","90","","2743.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","N,N'-bis(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)-1,3-diaminopropane","","- C31 H32 N8 -","- C31 H32 N8 -","- C124 H128 N32 -","4","1","","T. Irrgang; R. Kempe","Crystal structure of N,N'-bis(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin- 7-yl)-1,3-diaminopropane, C~31~H~32~N~8~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","403","404","","","","0.71069","MoKα","","0.1118","0.0478","","","0.0971","0.1111","","","","","","0.79","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101786","9.4241","0.0003","26.1147","0.0016","13.5769","0.0009","90","","90","","90","","3341.4","0.3","150","1","150","1","","","","","","","","4","C 2 c b","C -2ac 2","41","","1-chloromethyl-1,4,7-trimethyl-triazonan-1-ium chloride dichloromethane solvate","","- C11 H25 Cl4 N3 -","- C11 H25 Cl4 N3 -","- C88 H200 Cl32 N24 -","8","","","R. D. Ernst; B. G. Harvey; O. J. Oteri; A. M. Arif","Crystal structures of dichloromethane solvate and ethanol solvate of 1-chloromethyl-1,4,7-trimethyltriazonan-1-ium chloride, (C~10~H~23~N~3~Cl) Cl · CH~2~Cl~2~, (C~10~H~23~N~3~Cl)Cl · C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","373","375","","","","0.71073","MoKα","","0.0906","0.0661","","","0.147","0.1686","","","","","","1.058","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101787","9.3788","0.0002","25.5188","0.0009","13.8489","0.0005","90","","90","","90","","3314.54","0.18","150","1","150","1","","","","","","","","5","C 2 c b","C -2ac 2","41","","1-chloromethyl-1,4,7-trimethyl-triazonan-1-ium chloride ethanol solvate","","- C12 H29 Cl2 N3 O -","- C12 H29 Cl2 N3 O -","- C96 H232 Cl16 N24 O8 -","8","","","R. D. Ernst; B. G. Harvey; O. J. Oteri; A. M. Arif","Crystal structures of dichloromethane solvate and ethanol solvate of 1-chloromethyl-1,4,7-trimethyltriazonan-1-ium chloride, (C~10~H~23~N~3~Cl) Cl · CH~2~Cl~2~, (C~10~H~23~N~3~Cl)Cl · C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","373","375","","","","0.71073","MoKα","","0.0667","0.0554","","","0.1326","0.1395","","","","","","1.132","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101789","9.108","0.002","6.5314","0.001","13.3063","0.0019","90","","105.11","0.016","90","","764.2","0.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","aqua-bis(betaine)sodium bromide","aqua-bis(N,N,N-trimethylammonioacetato)sodium bromide","","- C10 H24 Br N2 Na O5 -","- C10 H24 Br N2 Na O5 -","- C20 H48 Br2 N4 Na2 O10 -","2","0.5","","V. H. Rodrigues; M. M. R. Costa; A. Klöpperpieper; M. R. Chaves; A. Almeida; J. Agostinho Moreira","Crystal structure of aqua-bis(N,N,N-trimethylammonioacetato)sodium bromide, [Na(H~2~O){(CH~3~)~3~NCH~2~COO}~2~]Br","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","363","364","","","","0.71073","MoKα","","0.0382","0.0317","","","0.0887","0.092","","","","","","1.065","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101790","5.658","0.005","15.406","0.009","8.234","0.008","90","","93.18","0.09","90","","716.6","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","o-cyanoaniline hydrochloride","","- C7 H7 Cl N2 -","- C7 H7 Cl N2 -","- C28 H28 Cl4 N8 -","4","1","","Oueslati, A.; Kefi, R.; Akriche, S.; Ben Nasr, C.","Crystal structure of o-cyanoaniline hydrochloride, (NCC~6~H~4~NH~3~)Cl","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","365","366","","","","0.7107","MoKα","","0.0205","0.0204","","","0.0524","0.0524","","","","","","1.103","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101791","21.727","0.004","10.954","0.002","22.073","0.004","90","","116.609","0.004","90","","4696.9","1.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(tert-butyl) 2-(tert-butylamino)-5-acetyl-6-methyl-4H-pyran-3,4-dicarboxylate","","- C22 H35 N O6 -","- C22 H35 N O6 -","- C176 H280 N8 O48 -","8","1","","Zonouzi, A.; Rahmani, H.; Kazemi, D.","Crystal structure of bis(tert-butyl) 2-(tert-butylamino)-5-acetyl- 6-methyl-4H-pyran-3,4-dicarboxylate, C~22~H~35~NO~6~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","367","368","","","","0.71073","MoKα","","0.0556","0.046","","","0.1193","0.128","","","","","","0.988","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101792","16.837","0.008","7.368","0.004","13.07","0.007","90","0.006","111.005","0.004","90","0.005","1513.7","1.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-benzyl-N-1,3,4-tetramethyl-2,5-dioxo-4-imidazolidinecarboxamide","","- C15 H19 N3 O3 -","- C15 H19 N3 O3 -","- C60 H76 N12 O12 -","4","1","","Euler, H.; Kirfel, A.; Meusel, M.; Gütschow, M.","Crystal structure of N-benzyl-N-1,3,4-tetramethyl-2,5-dioxo-4- imidazolidinecarboxamide, C~15~H~19~N~3~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","369","370","","","","0.71069","MoKα","","0.1308","0.0501","","","0.0963","0.1197","","","","","","0.99","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101793","9.8679","0.001","10.8765","0.001","15.458","0.002","90","","90","","90","","1659.1","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-hydroxymethyl-10α-methoxy-9,10-dihydrolysergol","","- C18 H24 N2 O3 -","- C18 H24 N2 O3 -","- C72 H96 N8 O12 -","4","1","","J. Cejka; B. Kratochvíl; L. Cvak; A. Jegorov","Crystal structure of 1-hydroxymethyl-10α-methoxy-9,10-dihydrolysergol, C~18~H~24~N~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","351","352","","","","1.5418","CuKα","","0.0664","0.0654","","0.0802","0.0794","","","","","","","1.1145","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101794","3.9221","0.0011","5.7229","0.0017","17.208","0.005","90","","95.447","0.006","90","","384.5","0.19","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","6-bromochromone","6-bromochromone","","- C9 H5 Br O2 -","- C9 H5 Br O2 -","- C18 H10 Br2 O4 -","2","1","","R. J. Staples; W. Lea","Crystal structure of 6-bromochromone, C~9~H~5~BrO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","371","372","","","x-ray","0.71073","MoKα","","0.0398","0.038","","","0.1043","0.1059","","","","","","1.026","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101795","13.8965","0.0018","19.237","0.002","22.753","0.003","90","","90","","90","","6082.5","1.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","diaqua(4,4'-bipyridine)(5-hydroxy-1,3-benzenedicarboxylato)cobalt(II) 4,4'-bipyridine dimethylsulfoxide solvate","","- C30 H30 Co N4 O8 S -","- C30 H30 Co N4 O8 S -","- C240 H240 Co8 N32 O64 S8 -","8","1","","He, H.-Y.; Zhou, Y.-L.; Zhu, L.-G.","Crystal structure of diaqua(4,4'-bipyridine)(5-hydroxy-1,3-benzenedicarboxylato) cobalt(II) 4,4'-bipyridine dimethylsulfoxide solvate, Co(H~2~O)~2~(C~10~H~8~N~2~)[C~6~H~3~OH(COO)~2~] · C~10~H~8~N~2~ · (CH~3~)~2~SO","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","445","447","","","","0.71073","MoKα","","0.1394","0.0782","","","0.1885","0.2195","","","","","","0.98","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101796","12.5366","0.0012","11.9016","0.0013","12.573","0.0014","90","","93.229","0.004","90","","1873","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ethyl[6-(2-fluorobenzoyl)-2-oxobenzothiazolin-3-yl]butanoate","","- C20 H18 F N O4 S -","- C20 H18 F N O4 S -","- C80 H72 F4 N4 O16 S4 -","4","1","","A. Aydin; Y. Dündar; C. Arici","Crystal structure of ethyl [6-(2-fluorobenzoyl)-2-oxo-benzothiazolin- 3-yl]-butanoate, C~20~H~18~FNO~4~S","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","379","380","","","","0.71073","MoKα","","0.0811","0.0438","","","0.1183","0.1354","","","","","","1.019","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101797","9.7712","0.0009","10.7343","0.0011","15.4568","0.0015","90","","98.136","0.002","90","","1604.9","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","hemi(1,4-diazabicyclo[2.2.2]octane)bis(2-thiopheneacetato)copper(II)","","- C30 H32 Cu2 N2 O8 S4 -","- C30 H32 Cu2 N2 O8 S4 -","- C60 H64 Cu4 N4 O16 S8 -","2","0.5","","Zhou, Y.-L.; He, H.-Y.; Zhu, L.-G.","Crystal structure of catena-poly[(1,4-diazabicyclo[2.2.2]-octane)tetrakis (2-thiopheneacetato)dicopper(II)], Cu~2~(C~6~H~12~N~2~)(C~6~H~5~O~2~S)~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","381","382","","","","0.71073","MoKα","","0.0754","0.0609","","","0.1782","0.1905","","","","","","1.054","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101798","11.1101","0.0005","13.5725","0.0006","21.9454","0.0011","90","","90.057","0.001","90","","3309.2","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(diethyldithiocarbamato)(triethylphosphine)gold(I)","","- C11 H25 Au N P S2 -","- C11 H25 Au N P S2 -","- C88 H200 Au8 N8 P8 S16 -","8","2","","Ho, S. Y.; Tiekink, E. R. T.","Crystal structure of (diethyldithiocarbamato)(triethylphosphine)gold(I), Au[P(C~2~H~5~)~3~][S~2~CN(C~2~H~5~)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","342","344","","","","0.71069","MoKα","","0.068","0.039","","","0.071","0.079","","","","","","0.97","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101799","12.614","0.001","10.142","0.001","12.967","0.001","90","","98","0.01","90","","1642.7","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3-di(1-naphthalyl)propan-2-one","1,3-di(1-naphthalyl)propan-2-one","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","A. Schwarzer; M. Nieger; D. Klomfaß; E. Weber","Crystal structure of 1,3-di(1-naphthalyl)propan-2-one, C~23~H~18~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","385","386","","","","1.54178","CuKα","","0.0854","0.0585","","","0.1528","0.1725","","","","","","1.054","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101800","10.523","0.003","16.082","0.005","17.382","0.005","65.12","0.005","86.867","0.005","78.073","0.005","2609.2","1.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","tert-butylammonium trifluoroacetyl-N-(tert-butylamino)dioxophosphate acetronitrile solvate hydrate (1 : 0.333 : 0.333)","","- C10.67 H24.67 F3 N3.33 O3.33 P -","- C10.6667 H24.6667 F3 N3.33333 O3.33333 P -","- C64 H148 F18 N20 O20 P6 -","6","3","","K. Gholivand; M. Pourayoubi; Z. Shariatinia; S. Molani","Crystal structure of tert-butylammonium trifluoroacetyl-N-(tert-butylamino) dioxophosphate acetonitrile solvate hydrate (1:0.333:0.333), (C~4~H~9~NH~3~) [(F~3~C~2~ONH)(C~4~H~9~NH)PO~2~)] · 0.333CH~3~CN · 0.333H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","387","389","","","","0.71073","MoKα","","0.1156","0.0624","","","0.131","0.1485","","","","","","0.994","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"8101801","6.8872","0.0017","8.251","0.002","9.419","0.002","114.18","0.005","101.572","0.005","98.849","0.005","461.38","0.19","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","O-Methyl N-(o-tolyl)thiocarbamate","","- C9 H11 N O S -","- C9 H11 N O S -","- C18 H22 N2 O2 S2 -","2","1","","F. S. Kuan; P. Tadbuppa; E. R. T. Tiekink","Crystal structure of o-methyl N-(o-tolyl)thiocarbamate, SC(OCH~3~) NH(C~6~H~4~CH~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","393","394","","","","0.71069","MoKα","","0.055","0.045","","","0.13","0.14","","","","","","1.05","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101802","17.975","0.002","7.2265","0.0009","17.343","0.002","90","","110.687","0.003","90","","2107.5","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","O-ethyl N-(m-tolyl)thiocarbamate","","- C10 H13 N O S -","- C10 H13 N O S -","- C80 H104 N8 O8 S8 -","8","1","","P. Tadbuppa; E. R. T. Tiekink","Crystal structure of o-ethyl N-(m-tolyl)thiocarbamate, SC(OC~2~H~5~) NH(C~6~H~4~CH~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","395","396","","","","0.71069","MoKα","","0.071","0.054","","","0.14","0.151","","","","","","1.03","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101803","7.2528","0.0008","12.3005","0.001","15.2083","0.0012","90","","90","","90","","1356.8","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","naphthalen-1-yl-(4-nitro-benzylidene)-amine","","- C17 H12 N2 O2 -","- C17 H12 N2 O2 -","- C68 H48 N8 O8 -","4","1","","Wen, P.-H.","Crystal structure of naphthalen-1-yl-(4-nitro-benzylidene)amine, C~17~H~12~N~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","397","398","","","","0.71073","MoKα","","0.0759","0.0457","","","0.0962","0.1074","","","","","","1.019","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101804","8.1732","0.0001","10.864","0.0002","16.2532","0.0003","109.03","0.0008","94.68","0.0007","96.1267","0.001","1346.07","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","dinitratobis(4-methyl-5-formyl-imidazolfuranoylhydrazone)gadolinium(III) mononitrate","","- C20 H20 Gd N11 O13 -","- C20 H20 Gd N11 O13 -","- C40 H40 Gd2 N22 O26 -","2","1","","P. M. Haba; O. Diouf; M. Gaye; A. S. Sall; A. H. Barry; R. Weller; B. Chahrazed","Crystal structure of dinitratobis(4-methyl-5-formylimidazolfuranoylhydrazone) gadolinium(III) mononitrate, [Gd{(OC(C~4~H3O)NHNCH(CH~3~)C~3~H~2~N~2~) }~2~(NO~3~)~2~][NO~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","401","402","","","","0.71069","MoKα","","0.0704","0.0482","","","0.1162","0.1324","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101805","29.968","0.002","8.156","0.001","21.365","0.002","90","","132.154","0.007","90","","3871.3","0.8","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(2,4,6-trimethyl-phenyl)-[6-(2,4,6-trimethyl-phenyl)-pyridin-2-yl]-amine","","- C23 H26 N2 -","- C23 H26 N2 -","- C184 H208 N16 -","8","1","","T. Schmalz; J. Burkhardt; T. Irrgang; R. Kempe","Crystal structure of (2,4,6-trimethyl-phenyl)-[6-(2,4,6-trimethyl- phenyl)-pyridin-2-yl]-amine, C~23~H~26~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","405","406","","","","0.71069","MoKα","","0.0956","0.0578","","","0.1314","0.146","","","","","","1.018","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101806","8.688","0.0008","18.893","0.0016","15.5853","0.0014","90","","99.199","0.002","90","","2525.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aqua(2,2'-bipyridine-N,N')bis(3-hydroxy-trans-cinnamato-O,O')cadmium(II)","","- C28 H24 Cd N2 O7 -","- C28 H24 Cd N2 O7 -","- C112 H96 Cd4 N8 O28 -","4","1","","Cheng, Y.-Q.; Cai, X.-Q.; Hu, M.-L.","Crystal structure of aqua(2,2'-bipyridine-N,N')bis(3-hydroxy-trans- cinnamato-O,O')cadmium(II), Cd(H~2~O)(C~10~H~8~N~2~)(C~9~H~7~O~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","390","392","","","","0.71073","MoKα","","0.1445","0.1131","","","0.1821","0.194","","","","","","1.282","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101807","23.366","0.003","10.448","0.0012","24.236","0.003","90","","109.439","0.002","90","","5579.4","1.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(1,10-phenanthroline)bis(μ-2-methoxybenzoato-O,O')- bis(μ-2-methoxybenzoato-O,O':O')dinitrato-dineodymium(III)","","- C56 H44 N6 Nd2 O18 -","- C56 H44 N6 Nd2 O18 -","- C224 H176 N24 Nd8 O72 -","4","0.5","","Li, X.","Crystal structure of bis(1,10-phenanthroline)bis(μ-2-methoxybenzoato- O,O')bis(μ-2-methoxybenzoato- O,O':O')dinitrato-dineodymium (III), Nd~2~(C~8~O~3~H~7~)~4~(NO~3~)~2~(C~12~H~8~N~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","407","408","","","","0.71073","MoKα","","0.0541","0.0301","","","0.059","0.0663","","","","","","1.03","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101808","13.273","0.011","6.226","0.002","17.835","0.013","90","","102.24","0.12","90","","1440.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium sym-diethyl etidronate dihydrate","disodium [1-(ethoxy-hydroxy-phosphoryl)-1-hydroxy-ethyl]-phosphonic acid diethyl ester dihydrate","","- C6 H18 Na2 O9 P2 -","- C6 H18 Na2 O9 P2 -","- C24 H72 Na8 O36 P8 -","4","1","","Monteil, M.; Barbey, C.; Neuman, A.; Prangé, T.; Lecouvey, M.","Crystal structure of diaquadisodium [1-(ethoxy-hydroxyphosphoryl)-1-hydroxy- ethyl]phosphonic acid diethyl ester, Na~2~(H~2~O)~2~[(C~2~H~5~OPO~2~) ~2~C(CH~3~)OH], a pro-drug derivative for etidronate","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","411","412","","","","1.5418","CuKα","","0.0709","0.0697","","","0.1878","0.1894","","","","","","1.061","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101809","36.562","0.002","9.5395","0.0006","19.8918","0.0012","90","","103.501","0.001","90","","6746.2","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(pyridine-N)[bis(N,N-dibenzyldithiocarbamato)cadmium(II)","","- C35 H33 Cd N3 S4 -","- C35 H33 Cd N3 S4 -","- C280 H264 Cd8 N24 S32 -","8","1","","F.-X. Wei; X. Yin; W.-G. Zhang; J. Fan; X.-H. Jiang; S.-L. Wang","Crystal structure of (pyridine-N)bis(N,N-dibenzyldithiocarbamato)cadmium (II), Cd(C~5~H~5~N)[S~2~CN(C~6~H~5~CH~2~)~2~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","417","419","","","","0.71073","MoKα","","0.0481","0.0428","","","0.1111","0.1144","","","","","","1.107","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101810","18.496","0.003","18.496","0.003","9.939","0.002","90","","90","","120","","2944.6","0.9","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","hexakis(N,N-dimethylformamide-O)silicon(IV) tris(tri-bromide) chloride","","- C18 H42 Br9 Cl N6 O6 Si -","- C18 H42 Br9 Cl N6 O6 Si -","- C54 H126 Br27 Cl3 N18 O18 Si3 -","3","0.166667","","A. Bekaert; P. Lemoine; J. D. Brion; B. Viossat","Crystal structure of hexakis(N,N-dimethylformamide-O)silicon(IV) tris (tribromide) chloride, [Si{(CH~3~)~2~NCHO}~6~][Br~3~]~3~Cl","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","425","426","","","","0.71073","MoKα","","0.0606","0.056","","","0.1695","0.1764","","","","","","1.451","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101811","9.6786","0.0016","13.663","0.002","15.348","0.002","90","","106.233","0.005","90","","1948.7","0.5","210","2","210","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cis-4-benzyl-4-methyl-2,6-diphenyl-4H-thiopyran-1-oxide","","- C25 H22 O S -","- C25 H22 O S -","- C100 H88 O4 S4 -","4","2","","F. Jafarpour; H. Pirelahi","Crystal structures of cis- and trans-4-benzyl-4-methyl-2,6-diphenyl- 4H-thiopyran-1-oxide, C~25~H~22~OS","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","420","424","","","","0.71073","MoKα","","0.0546","0.0472","","","0.1139","0.1191","","","","","","0.995","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101812","19.7176","0.0012","11.8772","0.0007","19.6879","0.0012","90","","118.942","0.005","90","","4034.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-4-benzyl-4-methyl-2,6-diphenyl-4H-thiopyran-1-oxide","","- C25 H22 O S -","- C25 H22 O S -","- C200 H176 O8 S8 -","8","2","","F. Jafarpour; H. Pirelahi","Crystal structures of cis- and trans-4-benzyl-4-methyl-2,6-diphenyl- 4H-thiopyran-1-oxide, C~25~H~22~OS","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","420","424","","","","0.71073","MoKα","","0.0706","0.0549","","","0.1245","0.1331","","","","","","1.013","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101813","15.412","0.002","7.474","0.002","14.733","0.002","90","","116.703","0.002","90","","1516.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaquabis(5-chlorosalicylaldehydato)cobalt(II)","","- C14 H12 Cl2 Co O6 -","- C14 H12 Cl2 Co O6 -","- C56 H48 Cl8 Co4 O24 -","4","1","","Z.-X. Li; X.-L. Zhang","Crystal structure of diaquabis(5-chlorosalicylaldehydato)cobalt(II), Co(H~2~O)~2~(C~7~H~4~ClO~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","427","428","","","","0.71073","MoKα","","0.0643","0.0393","","","0.0906","0.1006","","","","","","1.022","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101814","8.4228","0.0004","19.7169","0.0007","12.4746","0.0005","90","","91.041","0.002","90","","2071.33","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aqua(1,10-phenanthroline)bis(2-thiophenecarboxylato)copper(II)","","- C22 H16 Cu N2 O5 S2 -","- C22 H16 Cu N2 O5 S2 -","- C88 H64 Cu4 N8 O20 S8 -","4","1","","D.-M. Feng; H.-Y. He; H.-X. Jin; L.-G. Zhu","Crystal structure of aqua(1,10-phenanthroline)bis(2-thiophenecarboxylato) copper(II), Cu(H~2~O)(C~12~H~8~N~2~)(C~4~H~3~SCOO)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","429","430","","","","0.71073","MoKα","","0.0991","0.0666","","","0.1809","0.1985","","","","","","0.968","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101815","7.9467","0.0011","12.0563","0.0014","9.0826","0.0012","90","","106.012","0.011","90","","836.42","0.19","210","2","210","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","(15-crown-5)(trifluoromethanesulfonato-O,O')sodium","(1,4,7,10,13-pentaoxacyclopentadecane-O,O',O'',O''',O'''')- (trifluoromethanesulfonato-O,O')-sodium","","- C11 H20 F3 Na O8 S -","- C11 H20 F3 Na O8 S -","- C22 H40 F6 Na2 O16 S2 -","2","0.5","","D. Peikow; C.-M. Matern; M. G. Peter; U. Schilde","Crystal structure of (1,4,7,10,13-pentaoxacyclopentadecane-O,O',O'', O''',O'''')(trifluoromethanesulfonato- O,O')sodium, Na(C~10~H~20~O~5~) (CF~3~SO~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","431","432","","","","0.71073","MoKα","","0.0696","0.0434","","","0.1111","0.1202","","","","","","0.867","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101816","9.476","0.0019","16.223","0.003","18.615","0.004","90","","90","","90","","2861.7","1","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Me-Butiphane Rh (NBD)","(η^4^-norborna-2,5-dien)-(2,3-bis((S,S)-2,5-dimethyl- phospholanyl)-benzothiophene)-rhodium(I) tetrafluoroborate","","- C27 H36 B F4 P2 Rh S -","- C27 H36 B F4 P2 Rh S -","- C108 H144 B4 F16 P8 Rh4 S4 -","4","1","","H.-J. Drexler; J.-T. Sun; D. Heller; U. Berens; M. Kesselgruber","Crystal structure of (h^4^-norborna-2,5-dien){2,3-bis[(S,S)-2,5-dimethyl- phospholanyl]benzothiophene}rhodium(I) tetrafluoroborate, [Rh(C~7~H~8~) (C~20~H~28~P~2~S)][BF~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","435","436","","","","0.71073","MoKα","","0.0602","0.0446","","","0.1021","0.1083","","","","","","0.765","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101817","16.508","0.005","6.11","0.0018","11.165","0.003","90","","110.206","0.005","90","","1056.8","0.5","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","S,R-(+)-N-Methylephedrine","S,R-(+)-N-Methylephedrine","","- C11 H17 N O -","- C11 H17 N O -","- C44 H68 N4 O4 -","4","1","","R. J. Staples; A. A. Spencer","Crystal structure of S,R-(+)-N-methylephedrine, C~11~H~17~NO","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","437","438","","","x-ray","0.71073","MoKα","","0.0382","0.0321","","","0.084","0.0897","","","","","","1.055","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101818","8.7958","0.0013","9.8436","0.0013","14.718","0.002","94.33","0.006","98.546","0.006","99.258","0.007","1237.3","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","bis[μ2-(3-benzimidazol-2-yl)-2-ethanethiolato-N,S,S)-chloro-palladium(II)]","","- C20 H24 Cl2 N4 O Pd2 S2 -","- C20 H24 Cl2 N4 O Pd2 S2 -","- C40 H48 Cl4 N8 O2 Pd4 S4 -","2","1","","M. Somer; D. Haciu; N. M. Agh-Atabay; H. Borrmann","Crystal structure of bis[μ~2~-(3-benzimidazol-2-yl)-2-ethanethiolato- N,S,S)-chloro-palladium(II)], [(C~6~H~4~N~2~HCCH~2~CH~2~S)PdCl]~2~ · C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","441","442","","","","0.71073","MoKα","","0.0869","0.0683","","","0.1353","0.1418","","","","","","1.14","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101819","12.8849","0.0014","15.007","0.002","10.8625","0.0015","90","","109.46","0.008","90","","1980.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(4-(1H-imidazol-1-yl)phenyl)-2,6-diphenylpyridine","","- C26 H19 N3 -","- C26 H19 N3 -","- C104 H76 N12 -","4","1","","Y.-Z. Wu; C.-X. Wang; W.-T. Yu; J.-X. Yang","Crystal structure of 4-(4-(1H-imidazol-1-yl)phenyl)-2,6-diphenylpyridine, C~26~H~19~N~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","443","444","","","","0.71073","MoKα","","0.2269","0.0603","","","0.1197","0.1844","","","","","","0.857","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101820","8.8868","0.0018","16.192","0.003","16.228","0.003","90","","97.08","0.03","90","","2317.3","0.8","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dichloro[1,3-bis(5-methyl-3-phenylpyrazol-1-yl)propan-2-ol]palladium(II)","","- C23 H24 Cl2 N4 O Pd -","- C23 H24 Cl2 N4 O Pd -","- C92 H96 Cl8 N16 O4 Pd4 -","4","1","","G.-F. Zhang; Y.-L. Dou; X.-Z. Fan","Crystal structure of dichloro[1,3-bis(5-methyl-3-phenylpyrazol-1-yl) propan-2-ol]palladium(II), Pd[(C~10~H~9~N~2~)~2~C~3~H~5~OH]Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","451","452","","","","0.71073","MoKα","","0.0422","0.0289","","","0.0742","0.0776","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101821","10.158","0.003","21.971","0.005","19.301","0.003","90","","104.13","0.02","90","","4177.3","1.7","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris[bis(penthamethylene)urea]trinitrato-lanthanum(III)","","- C33 H60 La N9 O12 -","- C33 H60 La N9 O12 -","- C132 H240 La4 N36 O48 -","4","1","","R. Artali; G. Beretta; D. M. Arújo Melo","Crystal structure of tris[bis(pentamethylene)urea]trinitrato-lanthanum (III), La(NO~3~)~3~[(C~5~H~10~N)~2~CO]~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","457","459","","","x-ray","0.71073","mokα","","","0.0446","","","","0.1399","","","","","","1.051","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101822","15.38","0.003","11.466","0.002","17.15","0.003","90","","109.99","0.03","90","","2842.1","1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[chlorobis(1,10-phenanthroline)copper(II)] chloride 3,5-dihydroxybenzoic acid solvate hydrate","","- C31 H24 Cl2 Cu N4 O5 -","- C31 H24 Cl2 Cu N4 O5 -","- C124 H96 Cl8 Cu4 N16 O20 -","4","1","","H.-Y. He; Y.-L. Zhou; Y.-N. Chen; L.-G. Zhu","Crystal structure of [chlorobis(1,10-phenanthroline)-copper(II)] chloride 3,5-dihydroxybenzoic acid solvate monohydrate, [CuCl(C~12~H~8~N~2~) ~2~]Cl · C~6~H~3~(OH)~2~COOH · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","448","450","","","","0.71073","MoKα","","0.1312","0.066","","","0.1552","0.1974","","","","","","0.965","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101823","7.3522","0.0015","8.8559","0.0018","29.34","0.006","90","","90","","90","","1910.3","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7α-acetyl-6,14-endo-ethanotetrahydrothebaine","","- C23 H29 N O4 -","- C23 H29 N O4 -","- C92 H116 N4 O16 -","4","1","","A. Amani; G. Rezanejade Bardajee; G. Samavati; R. Mansouri","Crystal structure of 7α-acetyl-6,14-endo-ethanotetrahydrothebaine, C~23~H~29~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","453","454","","","","0.71073","MoKα","","0.0742","0.0483","","","0.0887","0.097","","","","","","1.003","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101824","7.8357","0.0008","8.2543","0.0008","14.7908","0.0015","90","","95.76","0.01","90","","951.81","0.17","293","2","295.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","1,2-ethylenediaminedizinc diphosphonate","","- C8 H40 N8 O24 P8 Zn8 -","- C2 H10 N2 O6 P2 Zn2 -","- C8 H40 N8 O24 P8 Zn8 -","4","1","","S. Natarajan; Yu. Prots; R. Niewa; R. Kniep","Crystal structure of 1,2-ethylenediamine-dizinc diphosphate(III), Zn~2~(C~2~H~8~N~2~)(HPO~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","455","456","","","","0.7107","MoKα","","0.062","0.0392","","","0.0953","0.1058","","","","","","1.118","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101825","9.7444","0.0013","10.0592","0.0014","18.012","0.002","91.663","0.01","99.064","0.01","104.536","0.009","1683.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,17-Dibromo-25,27-dimethoxy-26-benzoyloxy-28-hydroxycalix[4]arene","","- C37 H34 Br2 O7 -","- C37 H34 Br2 O7 -","- C74 H68 Br4 O14 -","2","1","","F.-J. Yu; X.-J. Hu; Y. Li; H.-J. Yang; R.-J. Wang","Crystal structure of 5,17-dibromo-25,27-dimethoxy-26-benzoyloxy-28- hydroxycalix[4]arene dihydrate, C~37~H~34~Br~2~O~5~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","460","462","","","","0.71073","MoKα","","0.1471","0.0707","","","0.1537","0.1801","","","","","","1.012","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101826","20.434","0.002","8.551","0.001","26.498","0.002","90","","102.889","0.001","90","","4513.4","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)-pyridin-2-yl-metylene]-amine","","- C26 H30 N2 -","- C26 H30 N2 -","- C208 H240 N16 -","8","1","","H. Maisel; S. Keller; T. Irrgang; R. Kempe","Crystal structure of (2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)- pyridin-2-yl-methylene]-amine, C~26~H~30~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","463","464","","","","0.71069","MoKα","","0.0802","0.0621","","","0.1748","0.1874","","","","","","1.038","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101827","16.546","0.0008","17.995","0.0011","11.817","0.0014","90","","90","","90","","3518.5","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)- pyridin-2-yl-methylene]amino-palladium(II)","","- C29 H36 Cl8 N2 Pd -","- C29 H36 Cl8 N2 Pd -","- C116 H144 Cl32 N8 Pd4 -","4","1","","H. Maisel; S. Keller; T. Irrgang; R. Kempe","Crystal structure of (2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)- pyridin-2-yl-methylene]-aminopalladium(II) dichloromethane trisolvate, Pd(C~26~H~30~N~2~)Cl~2~ · 3CH~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","465","466","","","","0.71069","MoKα","","0.0387","0.0371","","","0.0983","0.099","","","","","","1.155","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101828","8.5908","0.0005","12.0056","0.0008","24.2133","0.0013","90","","90","","90","","2497.3","0.3","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","7-Chloro-3-isopropylsulfanyl-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C10 H11 Cl N2 O2 S2 -","- C10 H11 Cl N2 O2 S2 -","- C80 H88 Cl8 N16 O16 S16 -","8","1","","L. Dupont; S. Boverie; P. de Tullio; B. Pirotte","Crystal structure of 7-chloro-3-isopropylsulfanyl-4H-1,2,4-benzothiadiazine 1,1-dioxide, C~10~H~11~ClN~2~O~2~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","467","468","","","","1.5418","CuKα","","0.0807","0.0576","","","0.1597","0.1691","","","","","","0.945","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101829","7.866","0.0016","8.11","0.0016","14.21","0.003","96.88","0.03","97.01","0.03","103.61","0.03","864","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","dipraseodymium trisuccinate dihydrate","","- C12 H16 O14 Pr2 -","- C12 H16 O14 Pr2 -","- C24 H32 O28 Pr4 -","2","1","","Wei, D.-Y.; Xie, H.-Z.; Huang, S.-J.; Zheng, Y.-Q.","Crystal structure of bis(aquapraseodymium) trisuccinate, Pr~2~(H~2~O) ~2~[O~2~C(CH~2~)~2~CO~2~]~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","471","472","","","","0.71073","MoKα","","0.0429","0.0423","","","0.1154","0.1163","","","","","","1.132","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101830","9.3909","0.0019","10.769","0.002","31.959","0.006","90","","90","","90","","3232","1.1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","benzyltrimethylammonium dithiobenzoate","benzyltrimethylammonium dithiobenzoate","","- C17 H21 N S2 -","- C17 H21 N S2 -","- C136 H168 N8 S16 -","8","1","","A. Mahjoub","Crystal structure of benzyltrimethylammonium dithiobenzoate, [C~6~H~5~CH~2~N (CH~3~)~3~][C~6~H~5~CS~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","473","474","","","","0.71073","MoKα","","0.1807","0.0316","","","0.0744","0.0789","","","","","","0.748","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101831","10.5006","0.0016","10.1454","0.0016","24.085","0.004","90","","92.546","0.004","90","","2563.3","0.7","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 Au2 N2 O6 P2 S2 -","- C52 H56 Au2 N2 O6 P2 S2 -","- C104 H112 Au4 N4 O12 P4 S4 -","2","0.5","","S. Y. Ho; E. R. T. Tiekink","Crystal structure of bis(μ-diphenylphosphino)butane-P,P'-bis [(N-(4-ethylcarboxyphenyl)-O-ethylthiocarbamato)gold(I)], [(CH~2~) ~4~(C~6~H~5~)~2~P)~2~][Au(SCNC~6~H~4~CO~2~C~2~H~5~)]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","475","476","","","","0.71069","MoKα","","0.07","0.045","","","0.117","0.146","","","","","","1.08","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101832","7.2663","0.0007","18.6061","0.0018","24.01","0.002","90","","90","","90","","3246.1","0.5","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","bis[(N-benzyl,N-hydroxyethyl)dithiocarbamato](1,10-phenanthroline)cadmium(II)","","- C32 H32 Cd N4 O2 S4 -","- C32 H32 Cd N4 O2 S4 -","- C128 H128 Cd4 N16 O8 S16 -","4","0.5","","M. Saravanan; R. Ramalingam; B. Arulprakasam; G. Bocelli; A. Cantoni; E. R. T. Tiekink","Crystal structure of bis[(N-benzyl,N-hydroxyethyl)dithiocarbamato] (1,10-phenanthroline)cadmium(II), Cd[S~2~CN(C~7~H~7~)(C~2~H~2~OH)] ~2~(C~12~H~8~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","477","478","","","","0.71069","MoKα","","0.036","0.029","","","0.064","0.066","","","","","","1.06","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101833","16.8789","0.0018","6.5076","0.0007","16.8929","0.0018","90","","111.259","0.001","90","","1729.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethylenediammonium bis[(2-oxo-1-naphthaldehyde-isonicotinyl-hydrazonato-O,N,O')dioxovanadate(V)]","","- C36 H62 N8 O8 V2 -","- C36 H32 N8 O8 V2 -","- C72 H64 N16 O16 V4 -","2","0.5","","Y.-Z. Zhou; R.-J. Chen; D.-D. Hu; S.-J. Tu","Crystal structure of ethylenediammonium bis[(2-oxo-1-naphthaldehyde- isonicotinyl hydrazonato-O,N,O')dioxovanadate(V)], (CH~2~NH~3~)~2~ [(C~16~H~11~N~3~O~2~)VO~2~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","509","510","","","","0.71073","MoKα","","0.0574","0.0408","","","0.0983","0.115","","","","","","1.081","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101834","9.1455","0.0018","14.113","0.003","18.998","0.004","90","","90","","90","","2452.1","0.9","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","1,3-bis(1-methyl-1H-tetrazol-5-ylthio)propane,","","- C7 H12 N8 S2 -","- C7 H12 N8 S2 -","- C56 H96 N64 S16 -","8","1","","Dou, Y.-L.; Zhang, G.-F.; Lei, Y.-J.; Fan, X.-Z.","Crystal structure of 1,3-bis(1-methyl-1H-tetrazol-5-ylthio)propane, C~3~H~6~(SCN~4~CH~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","485","486","","","","0.71073","MoKα","","0.0622","0.0372","","","0.1021","0.1113","","","","","","1.026","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101835","5.5442","0.0006","8.3603","0.0004","27.427","0.003","90","","90","","90","","1271.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-tryptophanium phosphite","","- C11 H15 N2 O5 P -","- C11 H15 N2 O5 P -","- C44 H60 N8 O20 P4 -","4","1","","M. Ramos Silva; J. A. Paixão; A. Matos Beja","Crystal structure of L-tryptophanium phosphite, (C~11~H~13~N~2~O~2~) [H~2~PO~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","487","488","","","","0.71073","MoKα","","0.1343","0.0529","","","0.1207","0.1462","","","","","","1.013","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101836","20.196","0.004","6.2154","0.0013","11.243","0.002","90","","90","","90","","1411.3","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2'-(4-dimethylaminobenzylidene)-2-hydroxybenzoylhydrazide","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","","Yang, J.-G.; Pan, F.-Y.","Crystal structure of 2'-(4-dimethylaminobenzylidene)-2-hydroxybenzoylhydrazide, (CH~3~)~2~N(C~6~H~4~)(CH)N(NH)(CO)(C~6~H~4~OH)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","515","516","","","","0.71073","MoKα","","0.0595","0.0477","","","0.105","0.1133","","","","","","0.978","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101837","9.589","0.005","10.144","0.007","11.312","0.005","87.11","0.02","72.38","0.02","64.96","0.02","946.3","0.9","173.1","","","","","","","","","","","5","P -1","-P 1","2","","poly[[aqua(1,10-phenanthroline-κ^2^N,N')nickel(II)]- μ-(dihydrogen-benzene-1,2,4,5-tetracarboxylato)-κ^3^O^1^:O^2^:O^3^]","","- C22 H14 N2 Ni O9 -","- C22 H14 N2 Ni O9 -","- C44 H28 N4 Ni2 O18 -","2","1","","J.-C. Lee; H. Takahashi; Y. Matsui","Crystal structure of poly[{aqua(1,10-phenanthroline-k^2^N,N')nickel (II)}-μ-(dihydrogen-benzene-1,2,4,5-tetracarboxylate)-k^3^O:O':O''], Ni(C10H4O8)(C12H8N2)(H2O)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","489","490","","","","0.71073","MoKα","","0.0367","0.0347","","0.0863","0.0854","0.0854","","","","","","0.8459","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101838","7.68","0.0015","14.873","0.003","14.011","0.003","90","","90","","90","","1600.4","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","aqua-(2,9-dimethyl-1,10-phenanthroline-N,N')diformato-copper(II)","","- C16 H16 Cu N2 O5 -","- C16 H16 Cu N2 O5 -","- C64 H64 Cu4 N8 O20 -","4","1","","Pan, J.-G.; Lin, J.-L.; Zheng, Y.-Q.","Crystal structure of aqua-(2,9-dimethyl-1,10-phenanthroline-N,N')- diformato-copper(II), Cu(C~14~H~12~N~2~)(H~2~O)(HCOO)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","495","496","","","","0.71073","MoKα","","0.0468","0.0399","","","0.0975","0.1024","","","","","","1.045","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101839","16.44","0.005","16.586","0.005","15.332","0.005","90","","115.695","0.005","90","","3767","2","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetraammoninium bis[(pyridine-2,6-dicarboxylato-O,O',N)cadmate(II)] pentahydrate","","- C14 H19 Cd N4 O10.5 -","- C14 H19 Cd N4 O10.5 -","- C112 H152 Cd8 N32 O84 -","8","2","","A.-Y. Fu; D.-Q. Wang","Crystal structure of tetraammonium bis[(pyridine-2,6-dicarboxylato- O,N,O')cadmate(II)] pentahydrate, (NH~4~)~4~[Cd(C~7~H~3~NO~4~)~2~] ~2~ · 5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","503","505","","","","0.71073","MoKα","","0.106","0.0508","","","0.1116","0.1386","","","","","","1.006","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101840","10.623","0.003","7.187","0.003","29.912","0.008","90","","90","","90","","2283.7","1.3","173.1","","173.1","","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","diaquabis(ethylenediamine-κ^2^N,N')copper(II) bis(p-chlorobenzoate)","","- C18 H28 Cl2 Cu N4 O6 -","- C18 H28 Cl2 Cu N4 O6 -","- C72 H112 Cl8 Cu4 N16 O24 -","4","0.5","","J.-C. Lee; H. Takahashi; Y. Matsui","Crystal structure of diaquabis(ethylenediamine-k^2^N,N')copper(II) bis(p-chlorobenzoate), [Cu(C~2~H~8~N~2~)~2~(H~2~O)~2~](C~7~H~4~ClO~2~) ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","491","492","","","x-ray","0.71073","MoKα","","0.0375","0.0236","","","0.0243","0.0282","","","","","","1.013","","","","has coordinates","194598","2020-10-21","18:00:00",""
"8101841","3.6146","0.0008","7.146","0.001","11.258","0.002","90","","92.02","0.01","90","","290.61","0.09","233","2","233","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","sodium 4-azido-1,2,3-triazolide monohydrate","","- C2 H3 N6 Na O -","- C2 H3 N6 Na O -","- C4 H6 N12 Na2 O2 -","2","0.5","","Laus, G.; Reitsamer, C.; Wurst, K.; Schottenberger, H.","Crystal structure of sodium 4-azido-1,2,3-triazolide monohydrate, Na(N~3~C~2~HN~3~) · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","575","576","","","","0.71073","MoKα","","0.0477","0.0416","","","0.1068","0.1103","","","","","","1.096","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101842","9.7086","0.0009","21.743","0.002","10.8014","0.001","90","","109.594","0.001","90","","2148.1","0.3","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pentacarbonyl[(ethoxycarbonyl)(N-diphenylmethylenamino)methylene]chromium(0)","","- C22 H15 Cr N O7 -","- C22 H15 Cr N O7 -","- C88 H60 Cr4 N4 O28 -","4","1","","W. Ponikwar; H. Nöth; H. Dialer; W. Beck","Crystal structure of pentacarbonyl[(ethoxycarbonyl)(N-diphenylmethylenamino) methylene]chromium(0), Cr(CO)~5~[C(COOC~2~H~5~){NC(C~6~H~5~)~2~}]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","499","500","","","","0.71073","MoKα","","0.0673","0.0376","","","0.0912","0.0984","","","","","","0.96","","","","has coordinates","211332","2020-10-21","18:00:00",""
"8101843","7.584","0.0015","13.468","0.003","16.36","0.003","90","","98.21","0.03","90","","1653.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,2-bis(4-pyridinium)ethane tetrachlorocobaltate(II) monohydrate","","- C12 H16 Cl4 Co N2 O -","- C12 H16 Cl4 Co N2 O -","- C48 H64 Cl16 Co4 N8 O4 -","4","0.5","","Wei, D.-Y.; Xie, H.-Z.; Zheng, Y.-Q.","Crystal structure of 1,2-bis(4-pyridinium)ethane tetrachlorocobaltate (II) monohydrate, (C~12~H~14~N~2~)[CoCl~4~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","497","498","","","","0.71073","MoKα","","0.0615","0.0388","","","0.0919","0.1004","","","","","","1.03","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101844","8.686","0.003","15.568","0.005","36.521","0.011","90","","90","","90","","4939","3","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","Crystal structure of poly-[{bis(cyanide-C)iron(II)}tetra(μ~2~cyanide-C:N)- bis{bis(ethylenediamine-N,N)cadmium(II)}], Cd~2~Fe(CN)~6~(C~2~H~8~N~2~)~4~","","- C14 H32 Cd2 Fe N14 -","- C14 H32 Cd2 Fe N14 -","- C112 H256 Cd16 Fe8 N112 -","8","0.25","","A.-Y. Fu; D.-Q. Wang","Crystal structure of poly[{bis(cyanide-C)iron(II)}tetra(μ^2 ^-cyanide-C:N)bis{bis(ethylenediamine-N,N')cadmium(II)}], Cd~2~Fe (CN)~6~(C~2~H~8~N~2~)~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","501","502","","","","0.71073","MoKα","","0.0371","0.0269","","","0.0605","0.0646","","","","","","1.005","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101845","11.909","0.002","13.046","0.002","15.144","0.003","99.617","0.004","96.925","0.004","96.039","0.003","2283.9","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","[N-benzoyl-N'-(2-pyridylmethylene)hydrazine]bis(trimethylphosphine)copper(I) tetrafluoroborate","","- C48 H40 B Cu F4 N4 O P2 -","- C48 H40 B Cu F4 N4 O P2 -","- C96 H80 B2 Cu2 F8 N8 O2 P4 -","2","1","","T.-J. Cai; Y.-F. Long; Q. Deng; Z.-S. Peng","Crystal structure of (N-benzoyl-N'-(2-pyridylmethylene)hydrazine)bis (trimethylphosphine)copper(I) tetrafluoro- borate, [Cu(C~12~H~10~N~4~O) {P(C~6~H~5~)~3~}~2~]BF~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","506","508","","","","0.71073","MoKα","","0.0843","0.0481","","","0.1087","0.1226","","","","","","1.046","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101846","14.935","0.002","7.1297","0.001","17.573","0.002","90","","97.084","0.002","90","","1856.9","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N-(2-hydroxyl-1-naphthal)ethylenediamine)(isonicotinyl hydrazide)oxovanadium","","- C17 H16 N5 O3 V -","- C19 H18 N5 O3 V -","- C76 H72 N20 O12 V4 -","4","1","","Y.-Z. Zhou; R.-J. Chen; S.-J. Tu; D.-D. Hu","Crystal structure of (N-(2-hydroxyl-1-naphthal)ethylenediamine)(isonicotinyl hydrazide)oxovanadium(V), [VO(C~6~H~5~N~3~O)(C~13~H~13~N~2~O)]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","511","514","","","","0.71073","MoKα","","0.0473","0.0354","","","0.0916","0.0968","","","","","","1.113","","","","has coordinates","288217","2023-12-11","20:43:00",""
"8101847","5.8157","0.0011","13.426","0.003","17.801","0.003","90","","90","","90","","1389.9","0.5","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-poly[(p-hydroxybenzoato)silver(I)- μ-(1R,2R)-(-)-1,2-cyclohexanediamine-κ^2^N:N']","","- C13 H19 Ag N2 O3 -","- C13 H19 Ag N2 O3 -","- C52 H76 Ag4 N8 O12 -","4","1","","J.-C. Lee; H. Takahashi; Y. Matsui","Crystal structure of catena-poly[(p-hydroxybenzoato)-silver(I)-μ- (1R,2R)-(-)-1,2-cyclohexanediamine-k^2^N,N'], Ag(C~7~H~5~O~3~)(C~6~H~14~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","493","494","","","","0.71073","MoKα","","0.0339","0.0292","","0.0667","0.0656","0.0667","","","","","","0.9745","","","","has coordinates","194598","2020-10-21","18:00:00",""
"8101848","8.974","0.002","5.933","0.001","8.994","0.002","90","","96.29","0.03","90","","475.98","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C20 H32 O4 -","2","1","","Torres, R.; Faini, F.; Rodilla, J. M. L.; Silva, L. A.; Sanz, F.","Crystal structure of taedol, C~10~H~16~O~2~, from Haplopappus taeda","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","537","538","","","","1.5418","CuKα","","0.0666","0.0517","","","0.131","0.1475","","","","","","0.968","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101849","6.4942","0.0006","10.2918","0.001","12.8293","0.0012","90","","94.535","0.001","90","","854.79","0.14","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-diaquabis(pyridine-2-carboxamide-N,O)nickel dibromide","","- C12 H16 Br2 N4 Ni O4 -","- C12 H16 Br2 N4 Ni O4 -","- C24 H32 Br4 N8 Ni2 O8 -","2","0.5","","Du, Q.-Y.; Li, Y.-P.; Xin, L.-Y.; Han, M.-L.","Crystal structure of trans-diaquabis(pyridine-2-carboxamide-N,O)nickel (II) dibromide, [Ni(H~2~O)~2~{(OC(NH~2~)(C~5~H~4~N)}~2~]Br~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","539","540","","","","0.71073","MoKα","","0.0192","0.0179","","","0.045","0.0456","","","","","","1.044","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101850","12.008","0.003","6.05","0.002","17.858","0.005","90","","99.34","0.02","90","","1280.2","0.6","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","trans-2,4-bis(sec-butyl)-2,4-bis((2-methyl-1-thioxo)butylsufanyl)-1,3- dithietane","","- C20 H36 S6 -","- C20 H36 S6 -","- C40 H72 S12 -","2","0.5","","Mahjoub, A.; Durif, A.","Crystal structure of trans-2,4-bis(sec-butyl)-2,4-bis((2-methyl-1- thioxo)butylsulfanyl)-1,3-dithietane, C~2~S~2~(C~4~H~9~)~2~(C~4~H~9~CS~2~) ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","541","542","","","","0.7107","MoKα","","0.0504","0.0504","","0.0804","","0.0804","","","1.992","","","1.992","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101851","13.7555","0.0002","20.4059","0.0003","12.3696","0.0002","90","","106.568","0.001","90","","3327.91","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(2,2'-bipyridine-N,N')bis(4-chlorobenzoato)cadmium(II) trihydrate","","- C34 H30 Cd Cl2 N4 O7 -","- C34 H30 Cd Cl2 N4 O7 -","- C136 H120 Cd4 Cl8 N16 O28 -","4","1","","B.-S. Zhang; Y.-H. Huang; H.-M. Gao","Crystal structure of bis(2,2'-bipyridine-N,N')-bis(4-chlorobenzoato) cadmium(II) trihydrate, [Cd(C~7~H~4~O~2~Cl)~2~(C~10~H~8~N~2~)~2~] · 3H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","376","378","","","","0.71073","MoKα","","0.0508","0.0298","","","0.064","0.0682","","","","","","1.027","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101852","8.0754","0.0013","8.8987","0.0014","14.571","0.002","90","","90","","90","","1047.1","0.3","193","2","193","2","","","","","","","Aldirch","4","P 21 21 21","P 2ac 2ab","19","R,S-(-)-N-methylephedrine","R,S-(-)-N-methylephedrine","","- C11 H17 N O -","- C11 H17 N O -","- C44 H68 N4 O4 -","4","1","","Staples, R. J.; Cho, E.","Crystal structure of R,S-(-)-N-methylephedrine, C~11~H~17~NO","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","543","544","","","x-ray","0.71073","MoKα","","0.0409","0.0381","","","0.1011","0.1051","","","","","","1.054","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101853","13.457","0.003","8.978","0.002","15.79","0.004","90","","90.32","0.02","90","","1907.7","0.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 2-(tert-butylamino)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H- chromene-3,4-dicarboxylate","","- C19 H27 N O6 -","- C19 H27 N O6 -","- C76 H108 N4 O24 -","4","1","","Zonouzi, A.; Rahmani, H.; Samareh Afsari, H.; Nezamabadi, M.","Crystal structure of dimethyl 2-(tert-butylamino)-7,7-dimethyl-5-oxo- 5,6,7,8-tetrahydro-4H-chromene-3,4-dicarboxylate, C~19~H~27~NO~6~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","545","546","","","","0.71073","MoKα","","0.064","0.0431","","","0.103","0.1116","","","","","","1.011","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101854","9.2002","0.0016","10.844","0.002","12.3","0.002","82.66","0.003","82.26","0.004","71.73","0.004","1149.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","diethyl 1-(cyclohexyl carbamoyl)-3-methyl-6-nitro-1H-indene-1,2-dicarboxylate","","- C23 H28 N2 O7 -","- C23 H28 N2 O7 -","- C46 H56 N4 O14 -","2","1","","Zonouzi, A.; Rahmani, H.; Samareh Afsari, H.","Crystal structure of diethyl 1-(cyclohexyl carbamoyl)-3-methyl-6-nitro- 1~H~-indene-1,2-dicarboxylate, C~23~H~28~N~2~O~7~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","547","548","","","","0.71073","MoKα","","0.0874","0.0549","","","0.0953","0.1091","","","","","","1.024","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101855","8.6358","0.0013","15.162","0.002","12.807","0.002","90","","106.599","0.003","90","","1607","0.4","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","2,2-diphenyl-4-dimethylaminopentanenitrile","","- C19 H22 N2 -","- C19 H22 N2 -","- C76 H88 N8 -","4","1","","Amani, A.; Rezanejade Bardajee, G.; Jafarpour, F.; Razaghi, M. O.; Yousefi Behzadi, M.; Haeri, A.","Crystal structure of 2,2-diphenyl-4-dimethyl-aminopentanenitrile, C~19~H~22~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","549","550","","","","0.71073","MoKα","","0.0493","0.044","","","0.0858","0.088","","","","","","1.037","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101856","10.4277","0.0015","12.785","0.002","13.838","0.002","68.583","0.002","73.664","0.002","77.367","0.002","1634.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis(2,2'-bipyridine-N,N')(N-tosyl-β-alaninato-O)copper(II) chloride tetrahydrate","","- C30 H36 Cl Cu N5 O8 S -","- C30 H36 Cl Cu N5 O8 S -","- C60 H72 Cl2 Cu2 N10 O16 S2 -","2","1","","Ma, L.-F.; Zhang, Y.-H.; Wang, J.-G.; Wang, L.-Y.","Crystal structure of bis(2,2'-bipyridine-N,N')(N-tosyl-β-alaninato- O)copper(II) chloride tetra-hydrate, [Cu(C~10~H^8^N~2~)~2~(C~10~H~12~NO~4~S)] Cl · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","603","605","","","","0.71073","MoKα","","0.0553","0.0502","","","0.1492","0.1526","","","","","","1.075","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101858","13.752","0.004","12.18","0.004","12.468","0.003","90","","92.42","0.02","90","","2086.5","1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-ferrocenylsalicylate titanocene","(5-ferrocenyl-2-hydroxybenzenecarboxylato-O,O')titanocene(IV)","","- C27 H22 Fe O3 Ti -","- C27 H22 Fe O3 Ti -","- C108 H88 Fe4 O12 Ti4 -","4","1","","Gao, Z.-W.; Wang, G.-F.; Gao, L.-X.; Zhang, C.-Y.; Wu, D.-H.; Yu, W.-R.; Liu, Z.-T.","Crystal structure of (5-ferrocenyl-2-hydroxy-benzenecarboxylato-O, O')titanocene(IV), (C~5~H~5~)Fe(C~12~H~7~O~3~)Ti(C~5~H~5~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","551","552","","","","0.71073","MoKα","","0.1899","0.0643","","","0.1288","0.1581","","","","","","0.776","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101859","8.5507","0.0019","11.77","0.003","14.508","0.003","90","","91.169","0.003","90","","1459.8","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(diethylenetriamine)cobalt(II) tetrahydroxypentaborate","","- C8 H34 B10 Co N6 O20 -","- C8 H34 B10 Co N6 O20 -","- C16 H68 B20 Co2 N12 O40 -","2","0.5","","Liu, Z.-H.; Zhang, J.-J.; Zhang, W.-J.","Crystal structure of bis(diethylenetriamine)cobalt(II) tetrahydroxypentaborate, [Co(C~4~H~13~N~3~)~2~][B~5~O~6~(OH)~4~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","555","556","","","","0.71073","MoKα","","0.0666","0.0513","","","0.1296","0.1438","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101860","11.127","0.002","12.31","0.003","14.266","0.006","80.58","0.03","69.8","0.03","73.53","0.02","1753.9","1","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","brevifolin carboxylic acid pyridine pentasolvate","","- C38 H33 N5 O8 -","- C38 H33 N5 O8 -","- C76 H66 N10 O16 -","2","1","","Lin, H.-W.; Xu, W.-D.; Wang, Q.-H.; Qiu, F.; Chen, W.-S.","Crystal structure of brevifolincarboxylic acid pyridine pentasolvate, C~13~H~8~O~8~ · 5C~5~H~5~N","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","557","559","10.1524/ncrs.2005.220.4.557","","","0.71073","MoKα","","0.1757","0.0466","","","0.116","0.1572","","","","","","0.997","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101861","9.8368","0.0003","11.6034","0.0003","12.9067","0.0003","76.607","0.001","82.218","0.001","77.622","0.001","1394.09","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","aquaphenanthroline(pyridine-2,6-dicarboxylato)cobalt(II) pyridine-2,6-dicarboxylic acid monosolvate tetrahydrate","","- C26 H26 Co N4 O13 -","- C26 H26 Co N4 O13 -","- C52 H52 Co2 N8 O26 -","2","1","","Su, H.; Wen, Y.-H.; Feng, Y.-L.","Crystal structure of aquaphenanthroline(pyridine-2,6-dicarboxylato) cobalt(II) pyridine-2,6-dicarboxylic acid monosolvate tetrahydrate, [Co(H~2~O)(C~12~H~8~N~2~){NC~5~H~3~(COO)~2~}] · NC~5~H~3~(COOH)~2~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","560","562","","","","0.71073","MoKα","","","0.0748","","","0.1539","0.18","","","","","","1.107","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101862","10.2989","0.0008","11.5069","0.0009","11.8211","0.001","96.048","0.002","103.245","0.001","109.525","0.001","1259.69","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","aqua(1,10-phenanthroline-N,N')(2-nitrobenzoato-O)(2-nitrobenzoato- O,O')cadmium(II)","","- C26 H18 Cd N4 O9 -","- C26 H18 Cd N4 O9 -","- C52 H36 Cd2 N8 O18 -","2","1","","Zhao, G.-L.; Wen, Y.-H.; Feng, Y.-L.","Crystal structure of aqua(1,10-phenanthroline-N,N')(2-nitrobenzoato- O)(2-nitrobenzoato-O,O')cadmium(II), Cd(H~2~O)(NO~2~C~6~H~4~COO)~2~ (C~12~H~8~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","563","564","","","","0.71073","MoKα","","","0.0475","","","0.1082","0.1099","","","","","","1.024","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101863","16.6352","0.0006","6.8145","0.0007","12.2805","0.0006","90","","107.921","0.003","90","","1324.58","0.16","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","7-chloro-3-isopropoxy-4H-1,2,4-benzothiadiazine 1,1-dioxide monohydrate","","- C10 H13 Cl N2 O4 S -","- C10 H13 Cl N2 O4 S -","- C40 H52 Cl4 N8 O16 S4 -","4","0.5","","Dupont, L.; Boverie, S.; Pirotte, B.; de Tullio, P.","Crystal structure of 7-chloro-3-isopropoxy-4H-1,2,4-benzothiadiazine 1,1-dioxide monohydrate, C~10~H~11~ClN~2~O~3~S · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","565","566","","","","1.5418","CuKα","","0.051","0.0425","","","0.121","0.1255","","","","","","1.049","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101864","10.7855","0.0007","8.3439","0.0006","22.9603","0.0018","90","","101.62","0.006","90","","2023.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5-tris(4-methoxyphenyl)-1H-1,2,4-triazole-2-oxide","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C92 H84 N12 O16 -","4","1","","Frey, W.; Lee, J. Y.; Jäger, V.","Crystal structure of 1,3,5-tris(4-methoxyphenyl)-1H-1,2,4-triazole- 2-oxide, C~23~H~21~N~3~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","567","568","","","","1.54178","CuKα","","0.0807","0.0558","","","0.1418","0.1851","","","","","","1.076","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101865","10.5503","0.0007","17.0555","0.0011","13.9358","0.0009","90","","98.316","0.001","90","","2481.3","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2'-bipyridine)bis(n-butyl dithiocarbonato-S,S')cadmium(II)","","- C20 H26 Cd N2 O2 S4 -","- C20 H26 Cd N2 O2 S4 -","- C80 H104 Cd4 N8 O8 S16 -","4","1","","Jiang, X.-H.; Zhang, W.-G.; Zhong, Y.; Wang, S.-L.","Crystal structure of (2,2'-bipyridine)bis(n-butyldithiocarbonato-S, S')cadmium(II), Cd(C~4~H~9~COS~2~)~2~(C~10~H~8~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","569","570","","","","0.71073","MoKα","","0.0808","0.0336","","","0.0738","0.0839","","","","","","0.873","","","","has coordinates","211332","2020-10-21","18:00:00",""
"8101866","12.061","0.003","7.704","0.0017","14.734","0.004","90","","90.022","0.006","90","","1369.1","0.6","193","2","193","2","","","","","","","","5","P 1 n 1","P -2yac","7","","meso-5,5,7,12,12,14-hexamethyl-4,11-diaza- 1,8-diazoniacyclotetradecane bis(dicyanoargentate) dihydrate","","- C20 H42 Ag2 N8 O2 -","- C20 H42 Ag2 N8 O2 -","- C40 H84 Ag4 N16 O4 -","2","1","","Ding, J.-G.","Crystal structure of meso-5,5,7,12,12,14-hexamethyl-4,11-diaza-1,8- diazoniacyclotetradecane bis(dicyano-argentate) dihydrate, (C~16~H~38~N~4~) [Ag(CN)~2~]~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","571","572","","","","0.71073","MoKα","","0.0329","0.029","","","0.0662","0.0689","","","","","","1.013","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101867","5.164","0.0002","19.979","0.001","7.584","0.0004","90","","104.54","0.002","90","","757.39","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-6-propenyl-5,6-dihydro-pyran-2-one","","- C8 H10 O3 -","- C8 H10 O3 -","- C32 H40 O12 -","4","1","","Souza, L. C.; Imbroisi, D. O.; De Simone, C. A.; Pereira, M. A.; Malta, V. R. S.; Oliveira, J. F. T.","Crystal structure of 4-hydroxy-6-propenyl-5,6-dihydro-pyran-2-one, C~8~H~10~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","573","574","","","","0.71073","MoKα","","0.0709","0.0485","","","0.1333","0.1688","","","","","","1.123","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101868","12.8243","0.0004","9.2932","0.0002","14.3634","0.0005","90","","100.572","0.002","90","","1682.75","0.09","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1-butyl-3-methylimidazolium)hexachlorotitanate(IV) bis(dichloromethane) solvate","","- C18 H34 Cl10 N4 Ti -","- C18 H34 Cl10 N4 Ti -","- C36 H68 Cl20 N8 Ti2 -","2","0.5","","Laus, G.; Bentivoglio, G.; Wurst, K.; Schottenberger, H.; Nauer, G.","Crystal structure of bis(1-butyl-3-methylimidazolium) hexachlorotitanate (IV) bis(dichloromethane) solvate, (C~8~H~15~N~2~)~2~[TiCl~6~] · 2CH~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","577","578","","","","0.71073","MoKα","","0.05","0.0409","","","0.1064","0.1122","","","","","","1.063","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101869","6.4404","0.0012","7.2718","0.0015","9.8189","0.0019","100.327","0.004","98.781","0.003","110.274","0.003","412.72","0.14","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","bis(N,N-dimethylformamido)tetra(μ-formato)dicopper","","- C10 H18 Cu2 N2 O10 -","- C10 H18 Cu2 N2 O10 -","- C10 H18 Cu2 N2 O10 -","1","0.5","","Zhu, L.-M.","Refinement of the crystal structure of bis(N,N-dimethylformamide)tetra (μ-formato)dicopper(II), Cu~2~(HCOO)~4~[(CH~3~)~2~NCHO]~2~, at 193 K","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","579","580","","","","0.71073","MoKα","","0.0253","0.0242","","","0.0674","0.0679","","","","","","1.035","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101870","24.392","0.005","12.632","0.002","23.709","0.005","90","","100.97","0.03","90","","7172","3","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","tris[{((diphenylphosphino)methylene)diphenylphosphoranyl}methyl]yttrium ethyl ether monosolvate","","- C82 H79 O P6 Y -","- C82 H79 O P6 Y -","- C328 H316 O4 P24 Y4 -","4","1","","Spannenberg, A.; Müller, B.; Rosenthal, U.","Crystal structure of tris[(diphenylphosphino)methylene) diphenylphosphoranylmethyl]yttrium diethyl ether monosolvate, [Y{P(C~6~H~5~)~2~CHP(C~6~H~5~)~2~CH~2~}~3~] · (C~2~H~5~)~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","581","584","","","","0.71073","MoKα","","0.1679","0.0543","","","0.0918","0.1121","","","","","","0.762","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101871","25.765","0.004","11.185","0.0016","5.9115","0.0008","90","","90","","90","","1703.6","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2'-(3-benzoxy-4-fluorobenzylidene)-2-hydroxybenzoylhydrazide","","- C20 H15 F N2 O3 -","- C20 H15 F N2 O3 -","- C80 H60 F4 N8 O12 -","4","1","","Liang, H.-D.; Yang, J.-G.; Yan, H.; Pan, F.-Y.","Crystal structure of 2'-(3-benzoxy-4-fluorobenzylidene)-2- hydroxybenzoylhydrazide, C~20~H~15~FN~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","585","586","","","","0.71073","MoKα","","0.1095","0.0518","","","0.1113","0.1254","","","","","","0.759","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101872","10.9246","0.0012","7.7412","0.0008","21.788","0.002","90","","96.572","0.002","90","","1830.5","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-ethylene(bis(benzoylacetoniminato)copper(II)","","- C22 H22 Cu N2 O2 -","- C22 H22 Cu N2 O2 -","- C88 H88 Cu4 N8 O8 -","4","1","","Dehghanpour, S.; Mojahed, F.; Farzaneh, F.","Refinement of the crystal structure of N,N'-ethylene-bis(benzoylacetoniminato) copper(II), Cu(C~22~H~22~N~2~O~2~), at 110 K","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","587","588","","","","0.71073","MoKα","","0.0539","0.0502","","","0.108","0.11","","","","","","1.005","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101873","35.97","0.004","11.627","0.0015","22.081","0.003","90","","114.341","0.007","90","","8413.9","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-4-[4-(N,N-diethylamino)-2-hydroxy-styryl]-N-methylpyridinium iodide monohydrate acetonitrile hemisolvate","","- C19 H26.5 I N2.5 O2 -","- C19 H26.5 I N2.5 O2 -","- C304 H424 I16 N40 O32 -","16","2","","Cao, D.-X.; Chen, H.-Y.; Li, G.-Z.; Wang, Y.-H.; Liu, Z.-Q.","Crystal structure of trans-4-[4-(N,N-diethylamino)-2-hydroxystyryl]- N-methylpyridinium iodide monohydrate acetonitrile hemisolvate, (C~18~H~23~N~2~O)I · H~2~O · ½CH~3~CN","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","591","593","","","","0.71073","MoKα","","0.1514","0.0501","","","0.0928","0.1241","","","","","","0.903","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8101874","7.68","0.0015","19.87","0.004","10.65","0.002","90","","95.15","0.03","90","","1618.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[(μ-pyridine-3,4-dicarboxylato-O,O',O"")(1,10- phenanthroline-N,N')cobalt(II)]","","- C19 H11 Co N3 O4 -","- C19 H11 Co N3 O4 -","- C76 H44 Co4 N12 O16 -","4","1","","Weng, D.; Yao, Y.-W.; Cai, Q.; Tang, G.-Y.","Crystal structure of poly[(1,10-phenanthroline-N,N')(μ~3~-pyridyl- 3,4-dicarboxylato-N,O,O',O'')cobalt(II)], Co(C~12~H~8~N~2~)[NC~5~H~3~ (COO)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","589","590","","","","0.71073","MoKα","","0.0399","0.035","","","0.0905","0.0925","","","","","","1.033","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101875","19.709","0.003","14.83","0.003","15.208","0.003","90","","103.096","0.002","90","","4329.5","1.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(1,10-phenanthroline)copper(I) dichlorocuprate(I)","","- C24 H16 Cl2 Cu2 N4 -","- C24 H16 Cl2 Cu2 N4 -","- C192 H128 Cl16 Cu16 N32 -","8","1","","Wang, J.-G.; Kang, H.-X.; Zheng, X.-Y.","Crystal structure of bis(1,10-phenanthroline)copper(I) dichlorocuprate (I), [Cu(C~12~H~8~N~2~)~2~][CuCl~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","597","598","","","","0.71073","MoKα","","0.0377","0.0273","","","0.0828","0.0891","","","","","","1.045","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101876","19.1711","0.0001","19.1711","0.0001","29.6004","0.0001","90","","90","","120","","9421.55","0.08","200","2","200","2","","","","","","","","7","R -3 :H","-R 3","148","Ph3Te-F-SiF6-BF4","","","- C57 H48 B Cl9 F8 Si0.5 Te3 -","- C57 H48 B Cl9 F8 Si0.5 Te3 -","- C342 H288 B6 Cl54 F48 Si3 Te18 -","6","0.333333","","Klapötke, T. M.; Krumm, B.; Schwab, I.","Crystal structure of tris(triphenyltelluronium) fluoride tetrafluoroborate hemi(hexafluorosilicate) chloroform trisolvate, [Te(C~6~H~5~)~3~]~3~ [F][BF~4~][SiF~6~]~0.5~ · 3CHCl~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","594","596","","","","0.71073","MoKα","","0.0522","0.048","","","0.1262","0.1294","","","","","","1.077","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8101877","5.959","0.005","8.099","0.005","33.942","0.005","90","","90","","90","","1638.1","1.7","173","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1R,5S,8R,9S-8-azidomethyl-2-benzyl-6,6-dimethyl-3,7-dioxa-2-aza- bicyclo[3.3.1]nonan-9-ol","","- C16 H22 N4 O3 -","- C16 H22 N4 O3 -","- C64 H88 N16 O12 -","4","1","","Al-Harrasi, A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of 1R,5S,8R,9S-8-azidomethyl-2-benzyl-6,6-dimethyl- 3,7-dioxa-2-aza-bicyclo[3.3.1]nonan-9-ol, C~16~H~22~N~4~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","599","600","","","","0.71069","MoKα","","0.0733","0.0511","","","0.1055","0.113","","","","","","1.081","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101878","10.169","0.004","18.889","0.007","14.336","0.005","90","","107.747","0.01","90","","2622.6","1.7","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-(4-methoxy-phenyl)-2-(triphenylphosphoranylimino)acrylic acid ethyl ester","ethyl 3-(4-methoxy-phenyl)-2-(triphenylphosphonioiminoyl)acrylate","","- C30 H28 N O3 P -","- C30 H28 N O3 P -","- C120 H112 N4 O12 P4 -","4","1","","Yang, F.-L.; Guo, G.; Bittner, S.","Crystal structure of ethyl 3-(4-methoxy-phenyl)-2-(triphenylphosphonioiminoyl) acrylate, (C~6~H~5~)~3~PNC(COOC~2~H~5~)(C~7~H~5~OCH~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","601","602","","","","0.71073","MoKα","","0.0877","0.0543","","","0.1402","0.1733","","","","","","1.008","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101879","6.2202","0.0007","9.416","0.0011","10.3386","0.0018","109.186","0.002","105.136","0.002","103.455","0.002","517.27","0.12","296","2","296","2","","","","","","","","6","P 1","P 1","1","","(1,10-phenanthroline)(N-p-tolylsulfonyl-serinato)copper(II)","","- C22 H19 Cu N3 O5 S -","- C22 H19 Cu N3 O5 S -","- C22 H19 Cu N3 O5 S -","1","1","","Wang, J.-G.; Ma, L.-F.; Wang, L.-Y.; Wang, Y.-H.; Liu, R.","Crystal structure of (1,10-phenanthroline)(N-tosylserinato)copper (II), Cu(C~12~H~8~N~2~)(C~10~H~11~NO~5~S)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","606","608","","","","0.71073","MoKα","","0.0229","0.0226","","","0.0591","0.0592","","","","","","1.05","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101880","15.7141","0.0005","12.8573","0.0004","15.7388","0.0005","90","","90","","90","","3179.88","0.17","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","BaCp*2Py3","bis(pentamethylcyclopentadienyl)tri(pyridine)barium","","- C35 H45 Ba N3 -","- C35 H45 Ba N3 -","- C140 H180 Ba4 N12 -","4","0.5","","Fichtel, K.; Behrens, U.","Crystal structure of bis(pentamethylcyclopentadienyl)tri(pyridine) barium, Ba(C~5~H~5~N)~3~(C~10~H~15~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","609","610","","","","0.71073","MoKα","","0.0257","0.0195","","","0.0562","0.0578","","","","","","1.068","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101885","11.204","0.005","8.368","0.005","18.817","0.005","90","0.005","99.366","0.005","90","0.005","1740.7","1.4","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diethyl 4-phenyl-2,6-dimethyl-3,5-pyridinedicarboxylate","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","da Silva, A. F.; de Simone, C. A.; Sant'Ana, A. E. G.; Pereira, M. A.; Malta, V. R. S.","Crystal structure of diethyl 4-phenyl-2,6-dimethyl-3,5-pyridinedicarboxylate, C~19~H~21~NO~4~, an multidrug resistance reversal agent from Jatropha elliptica","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","611","612","","","x-ray","0.71073","MoKα","","0.0784","0.0544","","","0.1364","0.1536","","","","","","1.029","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101886","3.875","0.0001","8.724","0.0003","13.942","0.0005","107.06","0.05","95.9","0.05","95.22","0.05","444.54","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","dichloro(pyridine-2-aldoxime-N,N')mercury(II)","","- C6 H6 Cl2 Hg N2 O -","- C6 H6 Cl2 Hg N2 O -","- C12 H12 Cl4 Hg2 N4 O2 -","2","1","","Torabi, A. A.; Kian, R.; Souldozi, A.; Welter, R.","Crystal structure of dichloro(pyridine-2-aldoxime-N,N')mercury(II), HgCl~2~(NC~5~H~4~CHNOH)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","613","614","","","","0.71073","MoKα","","0.0479","0.0439","","","0.1246","0.1289","","","","","","1.106","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101887","10.7514","0.0014","7.9539","0.001","38.144","0.005","90","","92.326","0.003","90","","3259.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[3,5-bis(4-octyloxyphenyl)pyrazol-1-yl]pyridine","","- C36 H47 N3 O2 -","- C36 H47 N3 O2 -","- C144 H188 N12 O8 -","4","1","","Torralba, M. C.; Cano, M.; Campo, J. A.; Heras, J. V.; Pinilla, E.","Crystal structure of 2-[3,5-bis(4-octyloxyphenyl)pyrazol-1-yl]pyridine, C~36~H~47~N~3~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","617","619","","","","0.71073","MoKα","","0.1839","0.0644","","","0.1574","0.1988","","","","","","0.788","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101888","7.5577","0.0008","15.6315","0.0017","30.62","0.003","90","","90","","90","","3617.4","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-hydroxyethylammonium [(2-methoxysalicylaldehydato)benzoylhydrazonato-O,N,O']dioxovanadate(V)","","- C17 H20 N3 O6 V -","- C17 H20 N3 O6 V -","- C136 H160 N24 O48 V8 -","8","1","","Zhou, Y.-Z.; Hu, D.-D.; Chen, R.-J.; Tu, S.-J.","Crystal structure of 2-hydroxyethylammonium [(2-meth-oxysalicylaldehydato) benzoylhydrazonato-O,N,O']-dioxovanadate(V), [C~2~H~8~NO][VO~2~(C~15~H~12~N~2~O~3~)]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","623","624","","","","0.71073","MoKα","","0.0564","0.0373","","","0.0898","0.0991","","","","","","1.04","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101889","10.062","0.0015","12.5851","0.0019","16.476","0.003","100.522","0.002","92.205","0.002","96.007","0.002","2036.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetramethylammonium bis(1,3-dithiole-2-thione-4,5-dithiolato-S,S')aurate(III)","","- C10 H12 Au N S10 -","- C10 H12 Au N S10 -","- C40 H48 Au4 N4 S40 -","4","2","","Li, T.-B.; Yu, W.-T.; Xu, D.; Quan, R.; Zhang, G.-H.; Wang, X.-Q.","Crystal structure of tetramethylammonium bis(1,3-dithiole-2-thione- 4,5-dithiolato-S,S')aurate(III), [N(CH~3~)~4~][Au(C~3~S~5~)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","625","626","","","","0.71073","MoKα","","0.0601","0.049","","","0.1066","0.1124","","","","","","1.096","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101890","10.149","0.002","10.712","0.002","15.148","0.003","85.51","0.01","88.99","0.02","62.45","0.01","1455.3","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1,4,4-tetramethyl-2,2,3,3-tetraphenyl-tetrasilane","","- C28 H34 Si4 -","- C28 H34 Si4 -","- C56 H68 Si8 -","2","1","","Harloff, J.; Reinke, H.; Köckerling, M.; Popowski, E.","Crystal structure of 1,1,4,4-tetramethyl-2,2,3,3-tetraphenyl-tetrasilane, [(CH~3~)~2~(H)Si(C~6~H~5~)~2~Si]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","627","628","","","","0.71073","MoKα","","0.0664","0.0487","","","0.127","0.1397","","","","","","1.044","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101891","10.498","0.009","14.555","0.003","18.546","0.008","96.61","0.04","101.64","0.06","97.86","0.06","2720","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H86 Mo2 N2 O9 S4 -","- C41 H86 Mo2 N2 O9 S4 -","- C82 H172 Mo4 N4 O18 S8 -","2","1","","Liu-González, M.; Sanz-Ruíz, F.; Palanca, P.; Sanz, V.; Pérez-Priede, M.; García-Granda, S.; García-Rodríguez, E.","Crystal structure of bis(tetra-n-butylammonium) tris(2-sulfidopropionato) sulfidodioxodimolybdate(V) monohydrate, [(NC~4~H~9~)~4~]~2~Mo~2~O~2~S (C~2~H~4~SCOO)~3~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","637","640","","","","0.71073","MoKα","","0.1832","0.0773","","","0.167","0.2142","","","","","","1.02","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101892","11.366","0.009","11.429","0.008","20.45","0.012","96.42","0.04","99.88","0.05","101.56","0.1","2534","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H80 Mo2 N2 O6 S4 -","- C38 H80 Mo2 N2 O6 S4 -","- C76 H160 Mo4 N4 O12 S8 -","2","1","","Liu-González, M.; Sanz-Ruíz, F.; Palanca, P.; Sanz, V.; Pérez-Priede, M.; García-Granda, S.; García-Rodríguez, E.","Crystal structure of bis(tetra-n-butylammonium) bis(2-sulfidopropionato) disulfidodioxodimolybdate(V), [(NC~4~H~9~)~4~]~2~Mo~2~O~2~S~2~(C~2~H~4~SCOO) ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","641","644","","","","0.71073","MoKα","","0.2327","0.0941","","","0.2278","0.3097","","","","","","1.003","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101893","7.607","0.0015","7.711","0.0015","26.981","0.005","90","","97.19","0.03","90","","1570.2","0.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diethyl 2-(4,5-dihydroxy-2-methylsulfanyl-3,4,5,6-tetrahydro- 4H-thiopyranyl)-difluoromethylphosphonate","","- C11 H21 F2 O5 P S2 -","- C11 H21 F2 O5 P S2 -","- C44 H84 F8 O20 P4 S8 -","4","1","","Pfund, E.; Barbey, C.; Lequeux, T.; Navaza, A.","Crystal structure of diethyl 2-(4,5-dihydroxy-2-methyl-sulfanyl-3,4,5,6- tetrahydro-4H-thiopyranyl)difluoro-methylphosphonate, C~11~H~21~F~2~O~5~PS~2~, a thioglycoside analogue bearing a difluorophosphonate group","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","629","630","","","","0.71073","MoKα","","0.0829","0.0579","","","0.1426","0.1608","","","","","","1.005","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101894","7.8213","0.0005","7.8625","0.0005","18.0999","0.0012","90","","107.037","0.005","90","","1064.21","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-(triaqua-bis(acetato-O,O')gadolinium(III)) chloride","","- C4 H12 Cl Gd O7 -","- C4 H12 Cl Gd O7 -","- C16 H48 Cl4 Gd4 O28 -","4","1","","Cesur, N.; Pantenburg, I.; Meyer, G.","Crystal structure of catena-[triaqua-bis(acetato-O,O')gadolinium(III)] chloride, [Gd(CH~3~COO)~2~(H~2~O)~3~]Cl","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","631","632","","","","0.71073","MoKα","","0.0339","0.0305","","","0.0798","0.0996","","","","","","1.17","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101896","7.204","0.001","19.11","0.002","12.704","0.002","90","","95.897","0.002","90","","1739.7","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","methanol[4-bromo-N-(2-pyridylmethyl)salicylaldiminato-N,N',O]nickel(II) monoperchlorate","","- C14 H14 Br Cl N2 Ni O6 -","- C14 H14 Br Cl N2 Ni O6 -","- C56 H56 Br4 Cl4 N8 Ni4 O24 -","4","1","","Peng, S.-J.; Yang, D.-W.; Xiao, Z.-L.; Wu, D.-X.; Cao, Z.","Crystal structure of methanol[4-bromo-N-(2-pyridylmethyl)salicylaldiminato- N,N',O]nickel(II) perchlorate, [Ni(CH~3~OH)(C~14~H~14~BrN~2~O~2~)]ClO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","633","634","","","","0.71073","MoKα","","0.0691","0.0417","","","0.0979","0.1093","","","","","","1.039","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8101897","10.765","0.002","11.113","0.002","12.441","0.002","113.746","0.002","104.388","0.002","94.983","0.002","1289.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","bis[N-cyclohexyl-4-nitrosalicylaldiminato]copper(II)","","- C26 H30 Cu N4 O6 -","- C26 H30 Cu N4 O6 -","- C52 H60 Cu2 N8 O12 -","2","1","","Chen, Q.","Crystal structure of bis[N-cyclohexyl-4-nitrosalicylaldiminato]copper(II), Cu(C~13~H~15~N~2~O~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","635","636","","","","0.71073","MoKα","","0.0958","0.0662","","","0.1107","0.1234","","","","","","1.057","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102883","15.925","0.002","11.59","0.001","11.232","0.001","90","","90","","90","","2073.1","0.4","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","diytterbium pentadecanickel nonaboride","","- B9 Ni15 Yb2 -","- B9 Ni15 Yb2 -","- B72 Ni120 Yb16 -","8","","","V. Babizhetskyy; I. Veremchuk; N. Chaban; Yu. Kuz'ma","Crystal structure of diytterbium pentadecanickel nonaboride, Yb~2~Ni~15~B~9~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","1","2","10.1524/ncrs.2005.220.14.1","","","0.71069","MoKα","","0.0501","0.0333","","","0.0514","0.0544","","","","","","1.099","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102884","10.2121","0.0006","10.2121","0.0006","10.2121","0.0006","90","","90","","90","","1064.99","0.11","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","Cs2MoCl6","dicesium hexachloromolybdate(IV)","","- Cl6 Cs2 Mo -","- Cl6 Cs2 Mo -","- Cl24 Cs8 Mo4 -","4","0.0208333","","B. Hu; P. Wang; Y. Xiao; L.-P. Song","Crystal structure of dicesium hexachloromolybdate(IV), Cs~2~[MoCl~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","298","298","","","","0.71073","MoKα","","0.0269","0.025","","","0.0662","0.067","","","","","","1.202","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102885","7.3051","0.0008","9.0402","0.001","9.09","0.001","108.868","0.001","97.26","0.001","106.299","0.001","529.4","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","hexagadolinium cobalt decabromide","","- Br10 Co Gd6 -","- Br5 Co0.5 Gd3 -","- Br10 Co Gd6 -","2","1","","C. Lefevre; C. Hoch; R. Eger; A. Simon","Crystal structure of hexagadolinium cobalt decabromide, Gd~6~CoBr~10~, a Y~6~RuI~10~-type structure","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","3","4","","","","0.56086","AgKα","","0.0337","0.0312","","","0.0939","0.0955","","","","","","1.096","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102886","8.993","0.008","5.675","0.006","7.349","0.004","90","","90","","90","","375.1","0.6","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","barium selenate","barium selenate","","- Ba O4 Se -","- Ba O4 Se -","- Ba4 O16 Se4 -","4","0.5","","A. Andara; M. A. Salvadó; Á. Fernández-González; S. García-Granda; M. Prieto","Crystal structure of barium selenate, BaSeO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","5","6","","","","0.71073","MoKα","","0.0452","0.0416","","","0.1137","0.1161","","","","","","1.203","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102887","6.471","0.002","6.645","0.002","8.623","0.003","90","","107.992","0.005","90","","352.7","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","potassium terbium(III) tetrasulfidogermanate","","- Ge K S4 Tb -","- Ge K S4 Tb -","- Ge2 K2 S8 Tb2 -","2","1","","B. C. Chan; P. K. Dorhout","Crystal structures of potassium terbium(III) tetrasulfidogermanate, KTbGeS~4~, and potassium praseodymium(III) tetraselenidogermanat, KPrGeSe~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","7","8","","","","0.71073","MoKα","","0.0368","0.035","","","0.0853","0.0858","","","","","","1.058","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102888","6.828","0.0008","7.0105","0.0008","8.9868","0.001","90","","108.157","0.002","90","","408.76","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","potassium praseodymium(III) tetraselenidogermanate","","- Ge K Pr Se4 -","- Ge K Pr Se4 -","- Ge2 K2 Pr2 Se8 -","2","1","","B. C. Chan; P. K. Dorhout","Crystal structures of potassium terbium(III) tetrasulfidogermanate, KTbGeS~4~, and potassium praseodymium(III) tetraselenidogermanat, KPrGeSe~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","7","8","","","","0.71073","MoKα","","0.0381","0.0371","","","0.0893","0.0898","","","","","","1.11","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102889","9.393","0.004","10.954","0.005","9.578","0.004","90","","90","","90","","985.5","0.7","571","2","571","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tripotassium tetraselenidophosphate","","- K3 P Se4 -","- K3 P Se4 -","- K12 P4 Se16 -","4","0.5","","B. C. Chan; P. L. Feng; Z. Hulvey; P. K. Dorhout","Crystal structure of tripotassium tetraselenidophosphate, K~3~PSe~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","11","11","","","","0.71073","MoKα","","0.0628","0.0294","","","0.0546","0.0629","","","","","","0.934","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102890","13.6637","0.001","12.3993","0.0009","8.7631","0.0007","90","","91.267","0.001","90","","1484.28","0.19","571","2","571","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","tetrapotassium hexaselenidohypodiphosphate","","- K4 P2 Se6 -","- K4 P2 Se6 -","- K16 P8 Se24 -","4","1","","B. C. Chan; P. L. Feng; Z. Hulvey; P. K. Dorhout","Crystal structure of tetrapotassium hexaselenidohypodiphosphate, K~4~P~2~Se~6~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","9","10","","","","0.71073","MoKα","","0.0609","0.0471","","","0.0807","0.0834","","","","","","1.313","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102891","15.148","0.003","7.5988","0.0014","10.0568","0.0018","90","","121.833","0.002","90","","983.5","0.3","298","2","298","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tetracesium octaselenidodisilicate","","- Cs4 Se8 Si2 -","- Cs4 Se8 Si2 -","- Cs8 Se16 Si4 -","2","0.25","","B. C. Chan; P. L. Feng; Z. Hulvey; L. Polykova; R. F. Hess; K. D. Abney; P. K. Dorhout","Crystal structure of tetracesium octaselenidodisilicate, Cs~4~Si~2~Se~8~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","12","12","","","","0.71073","MoKα","","0.0301","0.0278","","","0.0679","0.0683","","","","","","1.595","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102892","8.033","0.001","9.861","0.001","10.048","0.001","108.62","0.02","97.62","0.02","106.02","0.02","703.4","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","hexalanthanum osmium decaiodide","hexalanthanum monoosmium decaiodode","","- I10 La6 Os -","- I10 La6 Os -","- I10 La6 Os -","1","0.5","","Hj. Mattausch; A. Simon","Crystal structure of hexalanthanum osmium decaiodide, La~6~OsI~10~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","121","121","","","","0.56086","AgKα","","0.0304","0.0223","","","0.0515","0.0548","","","","","","1.019","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102893","9.277","0.001","10.935","0.001","9.251","0.001","90","","90","","90","","938.46","0.17","153","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","trirubidium tetrathiophosphate","","- P Rb3 S4 -","- P Rb3 S4 -","- P4 Rb12 S16 -","4","0.5","","L.-B. Wu; F.-Q. Huang","Crystal structure of trirubidium tetrathiophosphate, Rb~3~PS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","122","122","","","","0.71073","MoKα","","","0.027","","0.046","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102894","8.2482","0.0011","8.2482","0.0011","25.658","0.004","90","","90","","120","","1511.7","0.4","293","2","295.15","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ag9.8 Ga8.2 Mg54 -","- Ag9.81 Ga8.244 Mg54 -","- Ag9.81 Ga8.244 Mg54 -","1","0.0555556","","Kudla, C.; Orucoglu, E.; Prots, Yu.; Kreiner, G.","Crystal structure of mono(silver, gallium) trimagnesium, Ag~0.55~Ga~0.45~Mg~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","123","124","","","","0.7107","MoKα","","0.035","0.031","","","0.058","0.06","","","","","","1.227","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102895","5.8645","0.0002","11.368","0.0005","3.385","0.0002","90","","90","","90","","225.67","0.018","","","295.15","","","","","","","","","3","P b a m","-P 2 2ab","55","","ytterbium nickel tetraboride","","- B4 Ni Yb -","- B4 Ni Yb -","- B16 Ni4 Yb4 -","4","0.5","","I. Veremchuk; Yu. Prots; A. Leithe-Jasper; Yu. Kuz'ma","Refinement of the crystal structure of ytterbium nickel tetraboride, YbNiB~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","125","126","","","","0.7107","MoKα","","","0.025","","","","0.026","","","","","","1.03","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102896","18.1852","0.001","6.8085","0.0005","6.3518","0.0005","90","","90","","90","","786.44","0.1","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","cesium lead tetrathiophosphate","","- Cs P Pb S4 -","- Cs P Pb S4 -","- Cs4 P4 Pb4 S16 -","4","0.5","","I. Belkyal; M. El Azhari; Y.-D. Wu; W. Bensch; K.-F. Hesse; W. Depmeier","Crystal structure of cesium lead tetrathiophosphate, CsPbPS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","127","128","","","","0.71073","MoKα","","0.0482","0.0392","","","0.0947","0.101","","","","","","1.027","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102897","11.87","0.002","3.3575","0.0006","5.7556","0.001","90","","113.11","0.01","90","","210.97","0.07","293","2","295.15","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Gadolinium-tricarbomolybdate(III)","Gadolinium-tricarbomolybdate(III)","","- C3 Gd2 Mo2 -","- C3 Gd2 Mo2 -","- C6 Gd4 Mo4 -","2","0.25","","Dashjav, E.; Schnelle, W.; Kreiner, G.; Kniep, R.","Crystal structure of digadolinium tricarbomolybdate(III), Gd~2~[Mo~2~C~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","129","130","","","","0.71073","MoKα","","0.0381","0.0375","","","0.0892","0.0902","","","","","","1.155","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102898","12.5691","0.0011","5.179","0.0007","16.2106","0.0015","90","","106.04","0.006","90","","1014.15","0.19","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","disamarium undecaoxotetratellurate","","- O11 Sm2 Te4 -","- O11 Sm2 Te4 -","- O44 Sm8 Te16 -","4","0.5","","K. Sugiyama; R. Simura; B. Wedel","Crystal structure of disamarium undecaoxotetratellurate(IV), Sm~2~Te~4~O~11~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","131","132","","","","0.71069","MoKα","","0.0579","0.0352","","","0.071","0.0778","","","","","","1.008","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102899","7.987","0.001","7.987","0.001","8.422","0.001","90","","90","","120","","465.28","0.1","293","2","293","2","","","","","","","","2","P 63 c m","P 6c -2","185","Trimagnesium palladium","Trimagnesium palladium","","- Mg3 Pd -","- Mg3 Pd -","- Mg18 Pd6 -","6","0.5","","Makongo, J. P. A.; Kudla, C.; Prots, Yu.; Niewa, R.; Burkhardt, U.; Kreiner, G.","Crystal structure of trimagnesium monopalladium, Mg~3~Pd","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","289","292","","","","0.71073","MoKα","","0.0232","0.0225","","","0.0445","0.0447","","","","","","1.426","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102900","6.316","0.005","6.557","0.005","8.571","0.007","90","","108.088","0.012","90","","337.4","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","potassium ytterbium tetrathiosilicate(IV)","","- K S4 Si Yb -","- K S4 Si Yb -","- K2 S8 Si2 Yb2 -","2","1","","A. K. Gray; J. M. Knaust; B. C. Chan; L. A. Polyakova; P. K. Dorhout","Crystal structure of potassium ytterbium(III) tetrathiosilicate, KYbSiS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","293","293","","","","0.71073","MoKα","","0.0273","0.0254","","","0.0588","0.0594","","","","","","1.044","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102901","7.9743","0.0012","12.3374","0.0019","7.1142","0.0011","90","","107.101","0.003","90","","668.97","0.18","173","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","nonasodium lanthanum(III) bis[hexaselenodigermante(III)]","","- Ge4 La Na9 Se12 -","- Ge4 La Na9 Se12 -","- Ge4 La Na9 Se12 -","1","0.125","","B. R. Martin; J. M. Knaust; P. K. Dorhout","Crystal structure of nonasodium lanthanum(III) bis[hexaselenodigermanate], Na~9~La[Ge~2~Se~6~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","294","294","","","","0.71073","MoKα","","0.0428","0.0272","","","0.05","0.0531","","","","","","0.958","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102902","7.6481","0.0011","13.2228","0.0019","8.4385","0.0012","90","","107.667","0.003","90","","813.1","0.2","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","octasodium europium bis(hexatellurodisilicate)","","- Eu2 Na8 Si4 Te12 -","- Eu2 Na8 Si4 Te12 -","- Eu2 Na8 Si4 Te12 -","1","0.125","","Knaust, J. M.; Polyakova, L. A.; Dorhout, P. K.","Crystal structures of octasodium dieuropium(II) bis[hexa-tellurodisilicate], Na~8~Eu~2~[Si~2~Te~6~]~2~, octasodium dieuro- pium(II) bis[hexaselenodigermanate], Na~8~Eu~2~[Ge~2~Se~6~]~2~, and nonasodium samarium(III) bis[hexaselenodisilicate], Na~9~Sm[Si~2~Se~6~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","295","297","","","","0.71073","MoKα","","0.0479","0.0292","","","0.0548","0.0593","","","","","","1.003","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102903","7.137","0.002","12.33","0.004","8.019","0.003","90","","107.279","0.005","90","","673.8","0.4","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","octasodium europium(II) bis[hexaselenodigermanate(III)]","","- Eu2 Ge4 Na8 Se12 -","- Eu2 Ge4 Na8 Se12 -","- Eu2 Ge4 Na8 Se12 -","1","0.125","","Knaust, J. M.; Polyakova, L. A.; Dorhout, P. K.","Crystal structures of octasodium dieuropium(II) bis[hexa-tellurodisilicate], Na~8~Eu~2~[Si~2~Te~6~]~2~, octasodium dieuro- pium(II) bis[hexaselenodigermanate], Na~8~Eu~2~[Ge~2~Se~6~]~2~, and nonasodium samarium(III) bis[hexaselenodisilicate], Na~9~Sm[Si~2~Se~6~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","295","297","","","","0.71073","MoKα","","0.0448","0.0343","","","0.0805","0.0868","","","","","","1.027","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102904","7.0109","0.0013","12.098","0.002","7.916","0.0015","90","","107.178","0.003","90","","641.5","0.2","173","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","nonasodium samarium(III) bis[hexaselenodisilicate(III)]","","- Na9 Se12 Si4 Sm -","- Na9 Se12 Si4 Sm -","- Na9 Se12 Si4 Sm -","1","0.125","","Knaust, J. M.; Polyakova, L. A.; Dorhout, P. K.","Crystal structures of octasodium dieuropium(II) bis[hexa-tellurodisilicate], Na~8~Eu~2~[Si~2~Te~6~]~2~, octasodium dieuro- pium(II) bis[hexaselenodigermanate], Na~8~Eu~2~[Ge~2~Se~6~]~2~, and nonasodium samarium(III) bis[hexaselenodisilicate], Na~9~Sm[Si~2~Se~6~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","295","297","","","","0.71073","MoKα","","0.0557","0.0509","","","0.1156","0.1194","","","","","","1.202","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102905","19.927","0.001","12.636","0.001","19.399","0.001","90","","90.24","0.01","90","","4884.6","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","dodecalanthanum heptadecaiodide triethanide","dodecalanthanum heptadecaiodide triethanide","","- C6 I17 La12 -","- C6 I17 La12 -","- C24 I68 La48 -","4","0.5","","Hj. Mattausch; A. Simon","Crystal structure of dodecalanthanum heptadecaiodide triethanide, La~12~I~17~(C~2~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","299","300","","","","0.56086","AgKα","","0.0317","0.0261","","","0.0596","0.0621","","","","","","1.085","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102906","7.9134","0.0013","7.9134","0.0013","7.9134","0.0013","90","","90","","90","","495.55","0.14","293","2","293","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","strontium octabarium hexakis(dinitridoborate)","","- B12 Ba16 N24 Sr2 -","- B3 Ba4 N6 Sr0.5 -","- B6 Ba8 N12 Sr -","2","0.0208333","","Öztürk. S. S.; Kokal, I.; Somer, M.","Crystal structures of strontium octabarium hexakis(dinitridoborate) and europium octabarium hexakis(dinitridoborate), MBa~8~[BN~2~]~6~ (M = Sr, Eu)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","303","304","","","","0.71073","MoKα","","0.0328","0.0314","","","0.0942","0.0977","","","","","","0.83","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102907","10.678","0.004","10.678","0.004","6.12","0.003","90","","90","","120","","604.3","0.4","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","trilanthanum manganese aluminum heptaselenide","","- Al La3 Mn Se7 -","- Al La3 Mn0.726 Se7 -","- Al2 La6 Mn1.452 Se14 -","2","0.333333","","L.-B. Wu; F.-Q. Huang","Crystal structure of trilanthanum manganese aluminum heptaselenide, La~3~Mn~0.73~AlSe~7~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","305","306","","","","0.71073","MoKα","","0.0199","0.0197","","","0.0358","0.0358","","","","","","1.283","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102908","10.166","0.001","4.255","0.001","9.589","0.001","90","","90","","90","","414.78","0.11","293","2","293","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","lead chloride thiocyanate","","- C Cl N Pb S -","- C Cl N Pb S -","- C4 Cl4 N4 Pb4 S4 -","4","0.5","","A. Gacemi; D. Benbertal; I. Gautier-Luneau; A. Mosset","Crystal structure of lead chloride thiocyanate, PbCl(SCN)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","309","312","","","x-ray","0.56085","AgKα","","0.0293","0.0234","","","0.062","0.0671","","","","","","0.889","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102909","13.172","0.002","13.982","0.001","4.083","0.001","90","","90","","90","","752","0.2","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","tetragadolinium-hexabromide-monosilicide","tetragadolinium hexabromide monosilicide","","- Br6 Gd4 Si -","- Br6 Gd4 Si -","- Br12 Gd8 Si2 -","2","0.25","","Hj. Mattausch; A. Simon","Crystal structure of tetragadolinium monosilicide hexabromide, Gd~4~SiBr~6~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","313","313","","","","0.71073","MoKα","","0.0334","0.0262","","","0.0587","0.0606","","","","","","0.969","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102910","4.6433","0.0004","7.6322","0.0006","7.7341","0.0007","90","","90","","90","","274.09","0.04","","","293","2","","","","","","","","3","I m m b","-I 2a 2a","74","","","","- Eu Ga1.76 Li0.24 -","- Eu Ga1.76 Li0.24 -","- Eu4 Ga7.04 Li0.96 -","4","0.25","","A. Fedorchuk; Yu. Prots; W. Schnelle; Yu. Grin","Crystal structure of europium lithium gallium, EuLi~0.24~Ga~1.76~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","315","316","","","","0.71073","MoKα","","","0.037","","","","0.0978","","","","","","1.188","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102911","4.3831","0.0001","4.3831","0.0001","11.0632","0.0004","90","","90","","90","","212.541","0.01","","","295.15","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Eu Ga3.44 Mg0.56 -","- Eu Ga3.44 Mg0.56 -","- Eu2 Ga6.88 Mg1.12 -","2","0.0625","","Fedorchuk, A.; Prots, Yu.; Grin, Yu.","Crystal structures of europium magnesium gallium, EuMg~x~Ga~4-x~, and europium lithium gallium, EuLi~x~Ga~4-x~ (x » 0.5)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","317","318","","","","0.56087","AgKα","","","0.017","","","","0.033","","","","","","1.03","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102912","4.3456","0.0001","4.3456","0.0001","10.8453","0.0005","90","","90","","90","","204.805","0.012","295","2","295","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Europium lithium gallium","","- Eu Ga3.46 Li0.54 -","- Eu Ga3.46 Li0.54 -","- Eu2 Ga6.92 Li1.08 -","2","0.0625","","A. Fedorchuk; Yu. Prots; Yu. Grin","Crystal structures of europium magnesium gallium, EuMg~x~Ga~4-x~, and europium lithium gallium, EuLi~x~Ga~4-x~ (x » 0.5)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","317","318","","powder diffraction","x-ray","1.54057","CuKα~1~","","","","","","","","","0.0789","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102913","6.916","0.0003","6.1032","0.0003","11.1679","0.0006","90","","90","","90","","471.39","0.04","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","hexaaquanickel(II) hydrogenphosphate monohydrate","","- H7.5 Ni0.5 O5.5 P0.5 -","- H7.5 Ni0.5 O5.5 P0.5 -","- H30 Ni2 O22 P2 -","4","1","","X.-W. Wang; P. Wang; Y.-Q. Zheng","Crystal structure of hexaaquanickel(II) hydrogenphosphate monohydrate, [Ni(H~2~O)~6~][HPO~4~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","321","322","","","","0.71073","MoKα","","0.018","0.0178","","","0.0471","0.0472","","","","","","1.1","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102914","10.421","0.002","10.421","0.002","5.785","0.003","90","","90","","120","","544.1","0.3","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","trilanthanum monosilver monosilicon heptasulfide","","- Ag La3 S7 Si -","- Ag La3 S7 Si -","- Ag2 La6 S14 Si2 -","2","0.333333","","L.-B. Wu; F.-Q. Huang","Crystal structure of trilanthanum monosilver monosilicon heptasulfide, La~3~AgSiS~7~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","307","308","","","","0.71073","MoKα","","0.0424","0.0423","","","0.0985","0.0986","","","","","","1.195","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102915","6.0043","0.0004","6.0043","0.0004","6.0043","0.0004","90","","90","","90","","216.46","0.02","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","tricerium monogallium tribromide","","- Br3 Ce3 Ga -","- Br3 Ce3 Ga -","- Br3 Ce3 Ga -","1","0.0208333","","C. Zheng; Hj. Mattausch; A. Simon","Crystal structure of tricerium monogallium tribromide, Ce~3~GaBr~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","314","314","","","","0.71073","MoKα","","0.0313","0.0313","","","0.0764","0.0764","","","","","","1.127","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102916","5.9536","0.0014","3.5964","0.001","6.856","0.002","90","","90","","90","","146.8","0.07","293","","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co Si V -","- Co Si V -","- Co4 Si4 V4 -","4","0.5","","Conrad, M.; Herrmann, B.; Harbrecht, B.","Refinement of the crystal structure of monovanadium monocobalt monosilicide, VCoSi","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","319","320","","","","0.71073","MoKα","","0.037","0.0252","","","0.0494","0.0517","","","","","","1.147","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102917","12.784","0.001","12.784","0.001","12.784","0.001","90","","90","","90","","2089.3","0.3","296","2","296","2","","","","","","","","2","P -4 3 n","P -4n 2 3","218","","tetrapotassium tetrahedro-tetragermanide","","- Ge4 K4 -","- Ge4 K4 -","- Ge32 K32 -","8","0.333333","","H. G. von Schnering; J. Llanos; J.-H. Chang; K. Peters; E.-M. Peters; R. Nesper","Refinement of the crystal structures of the tetrahedro-tetragermanides K~4~Ge~4~, Rb~4~Ge~4~ and Cs~4~Ge~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","324","326","","","","0.71073","MoKα","","0.0373","0.0341","","","0.0836","0.0862","","","","","","1.113","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102918","13.198","0.002","13.198","0.002","13.198","0.002","90","","90","","90","","2298.9","0.6","296","2","296","2","","","","","","","","2","P -4 3 n","P -4n 2 3","218","","tetrarubidium tetrahedro-tetragermanide","","- Ge4 Rb4 -","- Ge4 Rb4 -","- Ge32 Rb32 -","8","0.333333","","H. G. von Schnering; J. Llanos; J.-H. Chang; K. Peters; E.-M. Peters; R. Nesper","Refinement of the crystal structures of the tetrahedro-tetragermanides K~4~Ge~4~, Rb~4~Ge~4~ and Cs~4~Ge~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","324","326","","","","0.71073","MoKα","","0.0591","0.0395","","","0.0762","0.0819","","","","","","1.016","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102919","13.654","0.002","13.654","0.002","13.654","0.002","90","","90","","90","","2545.5","0.6","296","2","296","2","","","","","","","","2","P -4 3 n","P -4n 2 3","218","","tetracaesium tetrahedro-tetragermanide","","- Cs4 Ge4 -","- Cs4 Ge4 -","- Cs32 Ge32 -","8","0.333333","","H. G. von Schnering; J. Llanos; J.-H. Chang; K. Peters; E.-M. Peters; R. Nesper","Refinement of the crystal structures of the tetrahedro-tetragermanides K~4~Ge~4~, Rb~4~Ge~4~ and Cs~4~Ge~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","324","326","","","","0.71073","MoKα","","0.0386","0.0356","","","0.0829","0.0852","","","","","","1.035","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102920","4.029","0.0006","4.029","0.0006","22.425","0.004","90","","90","","120","","315.25","0.09","293","2","293","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","Bariumsubnitride","dibarium mononitride","","- Ba2 N -","- Ba2 N -","- Ba6 N3 -","3","0.0833333","","Reckeweg, O.; DiSalvo, F. J.","Crystal structure of dibarium mononitride, Ba~2~N, an alkaline earth metal subnitride","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","519","520","","","","0.71073","MoKα","","0.026","0.026","","","0.0634","0.0634","","","","","","1.295","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102921","12.62","0.001","12.62","0.001","12.62","0.001","90","","90","","90","","2009.9","0.3","293","2","293","2","","","","","","","","2","P -4 3 n","P -4n 2 3","218","","tetrapotassium tetrahedro-tetrasilicide","","- K4 Si4 -","- K4 Si4 -","- K32 Si32 -","8","0.333333","","von Schnering, H. G.; Schwarz, M.; Chang, J.-H.; Peters, K.; Peters, E.-M.; Nesper, R.","Refinement of the crystal structures of the tetrahedro-tetrasilicides K~4~Si~4~, Rb~4~Si~4~ and Cs~4~Si~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","525","527","","","","0.71073","MoKα","","0.0209","0.0172","","","0.0401","0.0414","","","","","","0.999","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102922","13.042","0.001","13.042","0.001","13.042","0.001","90","","90","","90","","2218.4","0.3","293","2","293","2","","","","","","","","2","P -4 3 n","P -4n 2 3","218","","tetrarubidium tetrahedro-tetrasilicide","","- Rb4 Si4 -","- Rb4 Si4 -","- Rb32 Si32 -","8","0.333333","","von Schnering, H. G.; Schwarz, M.; Chang, J.-H.; Peters, K.; Peters, E.-M.; Nesper, R.","Refinement of the crystal structures of the tetrahedro-tetrasilicides K~4~Si~4~, Rb~4~Si~4~ and Cs~4~Si~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","525","527","","","","0.71073","MoKα","","0.0386","0.0267","","","0.0401","0.052","","","","","","0.802","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102923","13.51","0.001","13.51","0.001","13.51","0.001","90","","90","","90","","2465.8","0.3","293","2","293","2","","","","","","","","2","P -4 3 n","P -4n 2 3","218","","tetracaesium tetrahedro-tetragermanide","","- Cs4 Si4 -","- Cs4 Si4 -","- Cs32 Si32 -","8","0.333333","","von Schnering, H. G.; Schwarz, M.; Chang, J.-H.; Peters, K.; Peters, E.-M.; Nesper, R.","Refinement of the crystal structures of the tetrahedro-tetrasilicides K~4~Si~4~, Rb~4~Si~4~ and Cs~4~Si~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","525","527","","","","0.71073","MoKα","","0.023","0.0222","","","0.0519","0.0527","","","","","","0.954","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102924","8.0937","0.0003","8.0937","0.0003","32.129","0.003","90","","90","","90","","2104.7","0.2","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","decacerium pentagallium tetrabromide","","- Br4 Ce10 Ga5 -","- Br4 Ce10 Ga5 -","- Br16 Ce40 Ga20 -","4","0.125","","Li, S.-J.; Zheng, C.; Mattausch, Hj.; Simon, A.","Crystal structure of decacerium pentagallium tetrabromide, Ce~10~Ga~5~Br~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","521","522","","","","0.71073","MoKα","","0.0472","0.047","","","0.1138","0.1139","","","","","","1.496","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102925","11.1723","0.0013","11.1723","0.0013","11.1723","0.0013","90","","90","","90","","1394.5","0.3","213","2","213","2","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","Germaniumtetrabromid","germanium tetrabromide","","- Br4 Ge -","- Br4 Ge -","- Br32 Ge8 -","8","0.333333","","Köhler, J.; Okudera, H.; Reuter, D.; Simon, A.","Crystal structure of germanium tetrabromide, α-GeBr~4~, room temperature modification","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","523","523","","","","0.71073","MoKα","","0.03","0.0269","","","0.0754","0.0765","","","","","","1.486","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102926","10.183","0.002","6.779","0.0014","10.292","0.002","90","","102.53","0.03","90","","693.5","0.3","93","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Germaniumtetrabromid","germanium tetrabromide","","- Br4 Ge -","- Br4 Ge -","- Br16 Ge4 -","4","1","","Köhler, J.; Okudera, H.; Simon, A.","Crystal structure of germanium tetrabromide, β-GeBr~4~, low temperature modification","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","524","524","","","","0.71073","MoKα","","0.0755","0.0606","","","0.1313","0.1376","","","","","","1.167","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102927","8.305","0.0017","14.579","0.003","7.059","0.0014","90","","90","","90","","854.7","0.3","295","2","295.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dilanthanum tris(monohydrogenphosphate(III)) La~2~(HPO~3~)~3~","","- H3 La2 O9 P3 -","- H3 La2 O9 P3 -","- H12 La8 O36 P12 -","4","0.5","","Ewald, B.; Prots, Yu.; Kniep, R.","Crystal structure of dilanthanum tris(monohydrogenphosphate(III)), La~2~(HPO~3~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","533","534","","","","0.7107","MoKα","","0.059","0.042","","","0.066","0.069","","","","","","1.16","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102928","4.5134","0.0001","4.5134","0.0001","17.5823","0.0005","90","","90","","90","","358.165","0.015","298","2","295","2","","","","","","","","2","I 4/m m m","-I 4 2","139","","dineodymium antimonide","","- Nd2 Sb -","- Nd2 Sb -","- Nd8 Sb4 -","4","0.125","","Nuss, J.; Jansen, M.","Crystal structure of dineodymium antimonide, Nd~2~Sb","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","529","530","","","x-ray","0.71073","MoKα","","0.0247","0.0245","","","0.0566","0.0567","","","","","","1.475","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102929","10.4928","0.0001","6.0693","0.0001","15.2921","0.0001","90","","90.087","0.002","90","","973.86","0.02","293","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tripotassium monosodium ditungstate","","- K3 Na O8 W2 -","- K3 Na O8 W2 -","- K12 Na4 O32 W8 -","4","0.5","","Arumugam, N.; Sofin, M.; Jansen, M.","Crystal structure of tripotassium monosodium ditungstate, K~3~Na[WO~4~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","531","532","","","","0.71069","MoKα","","0.0627","0.0601","","","0.0576","0.0576","","","","10.27","10.27","9.68","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102930","7.7875","0.001","7.7875","0.001","6.9709","0.0013","90","","90","","90","","422.75","0.11","298","2","298","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","dirubidium barium bis(tetracyanoplatinate(II))","","- C8 Ba N8 Pt2 Rb2 -","- C8 Ba N8 Pt2 Rb2 -","- C8 Ba N8 Pt2 Rb2 -","1","0.0625","","Mühle, C.; Nuss, J.; Jansen, M.","Crystal structure of dirubidium barium bis(tetracyanoplatinate(II)), Rb~2~Ba[Pt(CN)~4~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","528","528","","","x-ray","0.71073","MoKα","","0.0753","0.0461","","","0.1081","0.1337","","","","","","1.244","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102931","7.7591","0.0005","14.654","0.001","8.2382","0.0005","90","","90.26","0.01","90","","936.69","0.1","293","2","295.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- B2 Co0.25 H8 Mg0.75 O13 P2 -","- B2 Co0.233 H8 Mg0.767 O13 P2 -","- B8 Co0.932 H32 Mg3.068 O52 P8 -","4","1","","Ewald, B.; Öztan, Y.; Prots, Yu.; Kniep, R.","Crystal structure of diaqua(magnesium,cobalt) bis(hydroxyboro)bisphosphate monohydrate, Mg~1-x~Co~x~(H~2~O)~2~[B~2~P~2~O~8~(OH)~2~] · H~2~O (x ≈ 0.25)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","535","536","","","","0.7107","MoKα","","0.049","0.04","","","0.09","0.098","","","","","","1.21","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103418","12.4852","","12.4852","","14.4117","","90","","90","","120","","1945.53","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","","","- Ag9.01 Mg36.81 -","- Ag9.009 Mg36.81 -","- Ag18.018 Mg73.62 -","2","0.166667","","Kudla, C.; Prots', Yu.M.; Kreiner, G.; Leineweber, A.","On the crystal structure of gamma - Ag Mg4","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","102","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103419","12.4037","","12.4037","","14.321","","90","","90","","120","","1908.12","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","","","- Ag9.05 Mg36.72 -","- Ag9.0452 Mg36.7224 -","- Ag18.0904 Mg73.4448 -","2","0.166667","","Prots', Yu.M.; Kudla, C.; Leineweber, A.; Kreiner, G.","On the crystal structure of gamma - Ag Mg4","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","102","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103486","7.8394","","7.8394","","7.8394","","90","","90","","90","","481.78","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Eu Ba8 (B N2)6","","- B6 Ba8 Eu N12 -","- B6 Ba8 Eu N12 -","- B6 Ba8 Eu N12 -","1","0.0104167","","Öztürk, S. S.; Kokal, I.; Somer, M.","Crystal structures of strontium octabarium hexakis(dinitridoborate) and europium octabarium hexakis(dinitridoborate), MBa~8~[BN~2~]~6~ (M = Sr, Eu)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","303","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103705","7.714","","19.687","","10.361","","90","","108.06","","90","","1495.96","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K3 (Cr (C2 O4)3) (H2 O)2.7","","- C6 H5.4 Cr K3 O14.7 -","- C6 H5.408 Cr K3 O14.704 -","- C24 H21.632 Cr4 K12 O58.816 -","4","1","","Hu, C.; Heger, G.; Kalf, I.; Englert, U.","About the degree of hydration on potassiumtrisoxalatochromate hydrate","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","926","929","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103876","7.6805","","5.4653","","37.747","","90","","95.875","","90","","1576.16","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Ca1 (Nb0.76 Ti0.24) O3.33","","- Ca Nb0.761 O3.33333 Ti0.193333 -","- Ca Nb0.761 O3.33333 Ti0.193333 -","- Ca24 Nb18.264 O80 Ti4.64 -","24","12","","Guevarra, J.; Daniels, P.; van Smaalen, S.; Rotiroti, N.; Lichtenberg, F.","Perovskite-related Ca (Nb, Ti) O3.33","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","19","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103883","8.392","","37.497","","16.217","","90","","102.76","","90","","4977.06","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Zr O) I2 (H2 O)8","","- H16 I2 O9 Zr -","- I2 O9 Zr -","- I32 O144 Zr16 -","16","4","","Sinram, D.; Krebs, B.","Tetranuclear [Zr4 (O H)8 (H2 O)16] units in the crystal structure of Zr O I2 * 8(H2 O)","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","166","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103895","7.7322","","11.9565","","10.3535","","90","","95.09","","90","","953.407","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Bi2 Cl4) (Al Cl4)2","","- Al2 Bi2 Cl12 -","- Al2 Bi2 Cl12 -","- Al4 Bi4 Cl24 -","2","0.5","","Beck, J.; Hengstmann, M.; Schlueter, S.","The Lewis acid-base adducts of bismuth and aluminium trihalides - crystal structures of [Bi2 X4] [Al X4]2 (X = Cl, Br)","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","147","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","162171","2020-10-21","18:00:00",""
"8103897","7.693","","7.706","","9.739","","104.19","","102.65","","99.46","","531.44","","","","","","","","","","","","","3","P -1","-P 1","2","","(Bi2 Br4) (Al Br4)2","","- Al2 Bi2 Br12 -","- Al2 Bi2 Br12 -","- Al2 Bi2 Br12 -","1","0.5","","Beck, J.; Hengstmann, M.; Schlueter, S.","The Lewis acid-base adducts of bismuth and aluminium trihalides - crystal structures of [Bi2 X4] [Al X4]2 (X = Cl, Br)","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","147","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","162176","2020-10-21","18:00:00",""
"8103910","9.5635","","9.5635","","7.0286","","90","","90","","120","","556.715","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Nd4.69 O (Si O4)3","","- Nd4.69 O13 Si3 -","- Nd4.694 O13 Si3 -","- Nd9.388 O26 Si6 -","2","0.166667","","Hartenbach, I.; Schleid, T.","M4.667Ch[Si O4]3 (M = Nd, Sm; Ch = O, S): structural comparison of two apatite-type lanthanoid chalcogenide ortho-oxosilicates","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","206","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","162232","2020-10-21","18:00:00",""
"8103913","9.4923","","9.4923","","6.9394","","90","","90","","120","","541.496","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Sm4.66 O (Si O4)3","","- O13 Si3 Sm4.66 -","- O13 Si3 Sm4.658 -","- O26 Si6 Sm9.316 -","2","0.166667","","Hartenbach, I.; Schleid, T.","M4.667Ch[Si O4]3 (M = Nd, Sm; Ch = O, S): structural comparison of two apatite-type lanthanoid chalcogenide ortho-oxosilicates","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","206","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","162237","2020-10-21","18:00:00",""
"8103916","9.8337","","9.8337","","6.8404","","90","","90","","120","","572.857","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Nd4.65 S (Si O4)3","","- Nd4.65 O12 S Si3 -","- Nd4.654 O12 S Si3 -","- Nd9.308 O24 S2 Si6 -","2","0.166667","","Hartenbach, I.; Schleid, T.","M4.667Ch[Si O4]3 (M = Nd, Sm; Ch = O, S): structural comparison of two apatite-type lanthanoid chalcogenide ortho-oxosilicates","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","206","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103918","9.7502","","9.7502","","6.7613","","90","","90","","120","","556.657","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Sm4.60 S (Si O4)3","","- O12 S Si3 Sm4.6 -","- O12 S Si3 Sm4.596 -","- O24 S2 Si6 Sm9.192 -","2","0.166667","","Hartenbach, I.; Schleid, T.","M4.667Ch[Si O4]3 (M = Nd, Sm; Ch = O, S): structural comparison of two apatite-type lanthanoid chalcogenide ortho-oxosilicates","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","206","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103990","13.2004","","11.3688","","7.0423","","90","","94.158","","90","","1054.07","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Rb2 (B10 H10)","","- B10 H10 Rb2 -","- B10 H10 Rb2 -","- B40 H40 Rb8 -","4","1","","Hoffmann, K.; Albert, B.","Crystal structures of M2 [B10 H10] (M = Na, K, Rb) via real space simulated annealing powder techniques","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","142","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103991","12.8554","","11.1784","","6.8227","","90","","93.357","","90","","978.759","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","K2 (B10 H10)","","- B10 H10 K2 -","- B10 H10 K2 -","- B40 H40 K8 -","4","1","","Hoffmann, K.; Albert, B.","Crystal structures of M2 [B10 H10] (M= Na, K, Rb) via real space simulated annealing powder techniques","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","142","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103992","10.2828","","13.0218","","6.6734","","90","","93.754","","90","","891.655","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Na2 (B10 H10)","","- B10 H10 Na2 -","- B10 H10 Na2 -","- B40 H40 Na8 -","4","1","","Hoffmann, K.; Albert, B.","Crystal structures of M2 [B10 H10] (M = Na, K, Rb) via real space simulated annealing powder techniques","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","142","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104035","3.32141","","3.32141","","16.4852","","90","","90","","120","","157.496","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Na0.75 Bi0.25) O","","- Bi0.25 Na0.75 O -","- Bi0.25 Na0.75 O -","- Bi1.5 Na4.5 O6 -","6","0.166667","","Vensky, S.; Kienle, L.; Dinnebier, R.E.; Billinge, S.J.L.; Masadeh, A.S.; Jansen, M.","The real structure of Na3 Bi O4 by electron microscopy, HR-XRD, and PDF analysis","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","231","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104041","9.166","","9.166","","11.224","","90","","90","","120","","816.654","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","","","- Al13 La16 -","- Al13 La16 -","- Al13 La16 -","1","0.0833333","","Niewa, R.; Kirchner, M.; Zhang Hui; Schnelle, W.; Grin', Yu.","Metallic barrelane: crystal structure, physical properties and bonding analysis of La16 Al13","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","115","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104044","9.9461","","9.9461","","9.9461","","90","","90","","90","","983.917","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7 Si S5 I","","- Cu7 I S5 Si -","- Cu6.996 I0.977 S5.023 Si1.00001 -","- Cu27.984 I3.908 S20.092 Si4.00004 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104045","9.8356","","9.8356","","9.8356","","90","","90","","90","","951.486","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7.88 Si S5.82 Br0.18","","- Br0.18 Cu7.88 S5.82 Si -","- Br0.181 Cu7.8852 S5.819 Si -","- Br0.724 Cu31.5408 S23.276 Si4 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104046","9.9398","","9.9398","","9.9398","","90","","90","","90","","982.049","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7.75 Ge S5.75 Br0.25","","- Br0.25 Cu7.75 Ge S5.75 -","- Br0.25 Cu7.74 Ge S5.75 -","- Br Cu30.96 Ge4 S23 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104047","10.0181","","10.0181","","10.0181","","90","","90","","90","","1005.44","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7 S5 Ge I","","- Cu7 Ge I S5 -","- Cu7.032 Ge I1.002 S4.998 -","- Cu28.128 Ge4 I4.008 S19.992 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104048","9.8989","","9.8989","","9.8989","","90","","90","","90","","969.976","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu6 As S5 I","","- As Cu6 I S5 -","- As1.00008 Cu6.06 I1.00008 S5.00016 -","- As4.00032 Cu24.24 I4.00032 S20.0006 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104049","9.8463","","9.8463","","9.8463","","90","","90","","90","","954.595","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu6 As S5 Br","","- As Br Cu6 S5 -","- As1.00008 Br1.00008 Cu5.952 S5.00016 -","- As4.00032 Br4.00032 Cu23.808 S20.0006 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104050","9.7846","","9.7846","","9.7846","","90","","90","","90","","936.762","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu6 (P S5) I","","- Cu6 I P S5 -","- Cu5.94 I1.00008 P1.00008 S5.00016 -","- Cu23.76 I4.00032 P4.00032 S20.0006 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104051","9.6828","","9.6828","","9.6828","","90","","90","","90","","907.827","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu6.2 P S5 Cl","","- Cl Cu6.2 P S5 -","- Cl1.00008 Cu6.2032 P1.00008 S5.00016 -","- Cl4.00032 Cu24.8128 P4.00032 S20.0006 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104052","9.8967","","9.8967","","9.8967","","90","","90","","90","","969.329","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7.49 Si S5.49 I0.51","","- Cu7.49 I0.51 S5.49 Si -","- Cu7.4896 I0.508296 S5.49186 Si1.00008 -","- Cu29.9584 I2.03318 S21.9675 Si4.00032 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104054","10.3799","","10.3799","","10.3799","","90","","90","","90","","1118.35","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7.52 Ge Se5.52 I0.48","","- Cu7.52 Ge I0.48 Se5.52 -","- Cu7.518 Ge I0.48 Se5.52 -","- Cu30.072 Ge4 I1.92 Se22.08 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104055","10.2852","","10.2852","","10.2852","","90","","90","","90","","1088.02","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7.44 Si Se5.44 I0.56","","- Cu7.44 I0.56 Se5.44 Si -","- Cu7.452 I0.56 Se5.44 Si -","- Cu29.808 I2.24 Se21.76 Si4 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104078","7.8998","","23.805","","6.9336","","90","","90","","90","","1303.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu Pb3 Br7","","- Br7 Cu Pb3 -","- Br7 Cu0.998 Pb3 -","- Br28 Cu3.992 Pb12 -","4","0.5","","Oldag, T.; Keller, H.L.","Solvothermal Synthesis and Crystal Structure of beta- and gamma- Cu Pb3 Br7","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","152","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104079","7.8414","","23.671","","13.7702","","90.037","","90.284","","89.999","","2555.91","","","","","","","","","","","","","3","P 1","P 1","1","","Cu Pb3 Br7","","- Br7 Cu Pb3 -","- Br7 Cu0.998625 Pb3 -","- Br56 Cu7.989 Pb24 -","8","8","","Oldag, T.; Keller, H.L.","Solvothermal Synthesis and Crystal Structure of beta- and gamma- Cu Pb3 Br7","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","152","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104119","6.8919","","6.9139","","9.6196","","109.64","","97","","109.62","","392.149","","","","","","","","","","","","","5","P 1","P 1","1","","Nd (N H2 S O3) (S O4) (H2 O)1.5","","- H5 N Nd O8.5 S2 -","- N Nd O8.5 S2 -","- N2 Nd2 O17 S4 -","2","2","","Wickleder, M.S.","Nd (N H2 S O3) (S O4) * 1.5 H2 O: a non-centrosymmetric amidosulfate-sulfate of neodymium","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","192","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104207","9.917","","3.23","","13.41","","90","","90","","90","","429.548","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- P4.76 Se0.25 -","- P4.76 Se0.25 -","- P19.04 Se -","4","0.5","","Ruck, M.; Hoppe, D.; Simon, P.","Phosphorus-rich phosphorus selenides P(14+x)Se (x = 1, 5)","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104208","9.963","","3.231","","13.412","","90","","90","","90","","431.738","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- P4.68 Se0.3125 -","- P4.68 Se0.31 -","- P18.72 Se1.24 -","4","0.5","","Ruck, M.; Hoppe, D.; Simon, P.","Phosphorus-rich phosphorus selenides P(14+x)Se (x = 1, 5)","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9003568","6.3769","","6.6439","","6.1667","","90","","102.22","","90","","255.348","","","","","","","","11800000","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","1","","Crichton, W. A.; Parise, J. B.; Antao, S. M.; Grzechnik, A.","Evidence for monazite-, barite-, and AgMnO4 (distorted barite)-type structures of CaSO4 at high pressure and temperature Sample: P = 11.8 GPa","American Mineralogist","2005","90","","22","27","10.2138/am.2005.1654","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003569","6.3365","","7.5347","","4.9532","","90","","90","","90","","236.484","","","","1450","","","","21000000","","","","","3","P b n m","-P 2c 2ab","62","","","","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.5","","Crichton, W. A.; Parise, J. B.; Antao, S. M.; Grzechnik, A.","Evidence for monazite-, barite-, and AgMnO4 (distorted barite)-type structures of CaSO4 at high pressure and temperature Sample: P = 21 GPa, T = 1450 K","American Mineralogist","2005","90","","22","27","10.2138/am.2005.1654","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003570","5.6998","","11.4383","","8.2573","","90","","90","","90","","538.343","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Jacobsen, S. D.; Demouchy, S.; Frost, D. J.; Ballaran, T. B.; Kung, J.","A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior Sample: ~150 wt ppm H2O","American Mineralogist","2005","90","","61","70","10.2138/am.2005.1624","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003571","5.6941","","11.4597","","8.2556","","90","","90","","90","","538.7","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Jacobsen, S. D.; Demouchy, S.; Frost, D. J.; Ballaran, T. B.; Kung, J.","A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior Sample: ~3200 wt ppm H2O","American Mineralogist","2005","90","","61","70","10.2138/am.2005.1624","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003572","5.689","","11.483","","8.2527","","90","","90","","90","","539.122","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Jacobsen, S. D.; Demouchy, S.; Frost, D. J.; Ballaran, T. B.; Kung, J.","A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior Sample: ~9600 wt ppm H2O","American Mineralogist","2005","90","","61","70","10.2138/am.2005.1624","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003573","5.8111","","10.605","","6.6968","","90","","102.025","","90","","403.646","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ca2 F H O4 Si -","- Ca2 F H O4 Si -","- Ca8 F4 H4 O16 Si4 -","4","1","","Leinenweber, K.; Johnson, J.; Groy, T.","Ca2SiO3OHF - A high-pressure phase with dense calcium polyhedral packing and tetrahedral silicon","American Mineralogist","2005","90","","115","121","10.2138/am.2005.1528","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003574","18.3668","","8.8725","","5.2289","","90","","90","","90","","852.099","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Al0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002 -","- Al0.0031 Ca0.0245 Mg1.4325 Mn0.5415 O6 Si1.9969 Ti0.0015 -","- Al0.0248 Ca0.196 Mg11.46 Mn4.332 O48 Si15.9752 Ti0.012 -","8","1","","Stimpfl, M.","The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: untreated","American Mineralogist","2005","90","","155","161","10.2138/am.2005.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003575","18.3653","","8.8819","","5.2305","","90","","90","","90","","853.193","","","","","","","","","","quenched from 980 deg C","","","7","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Al0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002 -","- Al0.0031 Ca0.0245 Mg1.4325 Mn0.5415 O6 Si1.9969 Ti0.0015 -","- Al0.0248 Ca0.196 Mg11.46 Mn4.332 O48 Si15.9752 Ti0.012 -","8","1","","Stimpfl, M.","The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 980 deg C DIS","American Mineralogist","2005","90","","155","161","10.2138/am.2005.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003576","18.3686","","8.8828","","5.2287","","90","","90","","90","","853.139","","","","","","","","","","quenched from 900 deg C","","","7","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Al0.003 Ca0.024 Mg1.433 Mn0.542 O6 Si1.997 Ti0.002 -","- Al0.0031 Ca0.0245 Mg1.4325 Mn0.5415 O6 Si1.9969 Ti0.0015 -","- Al0.0248 Ca0.196 Mg11.46 Mn4.332 O48 Si15.9752 Ti0.012 -","8","1","","Stimpfl, M.","The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 900 deg C DIS","American Mineralogist","2005","90","","155","161","10.2138/am.2005.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003577","18.3718","","8.8836","","5.2334","","90","","90","","90","","854.131","","","","","","","","","","quenched from 904 deg C","","","7","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Al0.003 Ca0.024 Mg1.433 Mn0.509 O6 Si1.997 Ti0.002 -","- Al0.0031 Ca0.0245 Mg1.4326 Mn0.5094 O6 Si1.9969 Ti0.0015 -","- Al0.0248 Ca0.196 Mg11.4608 Mn4.0752 O48 Si15.9752 Ti0.012 -","8","1","","Stimpfl, M.","The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 904 deg C ORD","American Mineralogist","2005","90","","155","161","10.2138/am.2005.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003578","18.3645","","8.881","","5.2284","","90","","90","","90","","852.727","","","","","","","","","","quenched from 856 deg C","","","7","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Al0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002 -","- Al0.0031 Ca0.0245 Mg1.4325 Mn0.5415 O6 Si1.9969 Ti0.0015 -","- Al0.0248 Ca0.196 Mg11.46 Mn4.332 O48 Si15.9752 Ti0.012 -","8","1","","Stimpfl, M.","The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 856 deg C ORD","American Mineralogist","2005","90","","155","161","10.2138/am.2005.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003579","18.3559","","8.8741","","5.2256","","90","","90","","90","","851.209","","","","","","","","","","quenched from 806 deg C","","","7","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Al0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002 -","- Al0.0031 Ca0.0245 Mg1.4325 Mn0.5415 O6 Si1.9969 Ti0.0015 -","- Al0.0248 Ca0.196 Mg11.46 Mn4.332 O48 Si15.9752 Ti0.012 -","8","1","","Stimpfl, M.","The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 806 deg C ORD","American Mineralogist","2005","90","","155","161","10.2138/am.2005.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003580","6.018","","3.7958","","14.495","","90","","90","","90","","331.111","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Chalcostibite","- Cu S2 Sb -","- Cu S2 Sb -","- Cu4 S8 Sb4 -","4","0.5","","Kyono, A.; Kimata, M.","Crystal structures of chalcostibite (CuSbS2) and emplectite (CuBiS2): Structural relationship of stereochemical activity between chalcostibite and emplectite","American Mineralogist","2005","90","","162","165","10.2138/am.2005.1585","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003581","6.134","","3.9111","","14.548","","90","","90","","90","","349.017","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Emplectite","- Bi Cu S2 -","- Bi Cu S2 -","- Bi4 Cu4 S8 -","4","0.5","","Kyono, A.; Kimata, M.","Crystal structures of chalcostibite (CuSbS2) and emplectite (CuBiS2): Structural relationship of stereochemical activity between chalcostibite and emplectite","American Mineralogist","2005","90","","162","165","10.2138/am.2005.1585","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003582","8.39704","","8.39704","","8.39704","","90","","90","","90","","592.078","","","","301.15","","","","","","heating T = 28 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 28 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003583","8.39769","","8.39769","","8.39769","","90","","90","","90","","592.215","","","","320.15","","","","","","heating T = 47 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 47 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003584","8.4036","","8.4036","","8.4036","","90","","90","","90","","593.466","","","","378.15","","","","","","heating T = 105 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 105 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003585","8.40578","","8.40578","","8.40578","","90","","90","","90","","593.928","","","","416.15","","","","","","heating T = 143 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 143 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003586","8.41019","","8.41019","","8.41019","","90","","90","","90","","594.864","","","","473.15","","","","","","heating T = 200 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 200 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003587","8.41634","","8.41634","","8.41634","","90","","90","","90","","596.17","","","","530.15","","","","","","heating T = 257 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 257 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003588","8.42079","","8.42079","","8.42079","","90","","90","","90","","597.116","","","","568.15","","","","","","heating T = 295 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 295 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003589","8.42712","","8.42712","","8.42712","","90","","90","","90","","598.463","","","","626.15","","","","","","heating T = 353 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 353 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003590","8.43043","","8.43043","","8.43043","","90","","90","","90","","599.169","","","","683.15","","","","","","heating T = 410 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 410 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003591","8.43439","","8.43439","","8.43439","","90","","90","","90","","600.014","","","","721.15","","","","","","heating T = 448 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 448 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003592","8.43699","","8.43699","","8.43699","","90","","90","","90","","600.569","","","","778.15","","","","","","heating T = 505 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 505 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003593","8.43829","","8.43829","","8.43829","","90","","90","","90","","600.846","","","","816.15","","","","","","heating T = 543 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 543 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003594","8.44178","","8.44178","","8.44178","","90","","90","","90","","601.592","","","","835.15","","","","","","heating T = 562 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 562 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003595","8.44082","","8.44082","","8.44082","","90","","90","","90","","601.387","","","","854.15","","","","","","heating T = 581 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 581 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003596","8.44366","","8.44366","","8.44366","","90","","90","","90","","601.994","","","","874.15","","","","","","heating T = 601 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 601 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003597","8.44737","","8.44737","","8.44737","","90","","90","","90","","602.788","","","","931.15","","","","","","heating T = 658 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 658 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003598","8.45225","","8.45225","","8.45225","","90","","90","","90","","603.833","","","","969.15","","","","","","heating T = 696 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 696 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003599","8.4583","","8.4583","","8.4583","","90","","90","","90","","605.131","","","","1026.15","","","","","","heating T = 753 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 753 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003600","8.46018","","8.46018","","8.46018","","90","","90","","90","","605.534","","","","1064.15","","","","","","heating T = 791 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 791 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003601","8.46608","","8.46608","","8.46608","","90","","90","","90","","606.802","","","","1121.15","","","","","","heating T = 848 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 848 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003602","8.47175","","8.47175","","8.47175","","90","","90","","90","","608.022","","","","1179.15","","","","","","heating T = 906 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 906 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003603","8.47516","","8.47516","","8.47516","","90","","90","","90","","608.757","","","","1217.15","","","","","","heating T = 944 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 944 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003604","8.4767","","8.4767","","8.4767","","90","","90","","90","","609.089","","","","1255.15","","","","","","heating T = 982 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on heating T = 982 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003605","8.47405","","8.47405","","8.47405","","90","","90","","90","","608.517","","","","1236.15","","","","","","cooling T = 963 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 963 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003606","8.47392","","8.47392","","8.47392","","90","","90","","90","","608.489","","","","1217.15","","","","","","cooling T = 944 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 944 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003607","8.47029","","8.47029","","8.47029","","90","","90","","90","","607.708","","","","1179.15","","","","","","cooling T = 906 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 906 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003608","8.46438","","8.46438","","8.46438","","90","","90","","90","","606.437","","","","1121.15","","","","","","cooling T = 848 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 848 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003609","8.46211","","8.46211","","8.46211","","90","","90","","90","","605.949","","","","1064.15","","","","","","cooling T = 791 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 791 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003610","8.45708","","8.45708","","8.45708","","90","","90","","90","","604.869","","","","1026.15","","","","","","cooling T = 753 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 753 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003611","8.45245","","8.45245","","8.45245","","90","","90","","90","","603.876","","","","988.15","","","","","","cooling T = 715 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 715 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003612","8.4518","","8.4518","","8.4518","","90","","90","","90","","603.737","","","","969.15","","","","","","cooling T = 696 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 696 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003613","8.44813","","8.44813","","8.44813","","90","","90","","90","","602.951","","","","931.15","","","","","","cooling T = 658 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 658 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003614","8.44122","","8.44122","","8.44122","","90","","90","","90","","601.472","","","","874.15","","","","","","cooling T = 601 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 601 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003615","8.43831","","8.43831","","8.43831","","90","","90","","90","","600.851","","","","835.15","","","","","","cooling T = 562 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 562 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003616","8.43712","","8.43712","","8.43712","","90","","90","","90","","600.596","","","","816.15","","","","","","cooling T = 543 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 543 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003617","8.43375","","8.43375","","8.43375","","90","","90","","90","","599.877","","","","778.15","","","","","","cooling T = 505 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 505 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003618","8.42961","","8.42961","","8.42961","","90","","90","","90","","598.994","","","","721.15","","","","","","cooling T = 448 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 448 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003619","8.42558","","8.42558","","8.42558","","90","","90","","90","","598.135","","","","683.15","","","","","","cooling T = 410 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 410 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003620","8.4208","","8.4208","","8.4208","","90","","90","","90","","597.118","","","","626.15","","","","","","cooling T = 353 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 353 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003621","8.41415","","8.41415","","8.41415","","90","","90","","90","","595.704","","","","568.15","","","","","","cooling T = 295 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 295 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003622","8.41259","","8.41259","","8.41259","","90","","90","","90","","595.373","","","","530.15","","","","","","cooling T = 257 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 257 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003623","8.40607","","8.40607","","8.40607","","90","","90","","90","","593.99","","","","473.15","","","","","","cooling T = 200 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 200 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003624","8.40084","","8.40084","","8.40084","","90","","90","","90","","592.882","","","","416.15","","","","","","cooling T = 143 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 143 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003625","8.39837","","8.39837","","8.39837","","90","","90","","90","","592.359","","","","378.15","","","","","","cooling T = 105 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 105 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003626","8.39514","","8.39514","","8.39514","","90","","90","","90","","591.676","","","","320.15","","","","","","cooling T = 47 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction Sample: on cooling T = 47 C","American Mineralogist","2005","90","","219","228","10.2138/am.2005.1559","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003627","7.1153","","10.478","","6.8571","","101.178","","95.711","","86.651","","498.637","","","","","","","","","","","","","5","P -1","-P 1","2","","","Hallimondite","- As2 H2 O10.29 Pb2 U -","- As2 H0.58 O10.29 Pb2 U -","- As4 H1.16 O20.58 Pb4 U2 -","2","1","","Locock, A. J.; Burns, P. C.; Flynn, T. M.","The role of water in the structures of synthetic hallimondite, Pb2[(UO2)(AsO4)2](H2O)n and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 < n < 0.5","American Mineralogist","2005","90","","240","246","10.2138/am.2005.1705","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003628","6.8432","","10.4105","","6.6718","","101.418","","98.347","","86.264","","460.639","","","","","","","","","","","","","4","P -1","-P 1","2","","","Parsonsite","- O10 P2 Pb2 U -","- O10 P2 Pb2 U -","- O20 P4 Pb4 U2 -","2","1","","Locock, A. J.; Burns, P. C.; Flynn, T. M.","The role of water in the structures of synthetic hallimondite, Pb2[(UO2)(AsO4)2](H2O)n and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 < n < 0.5","American Mineralogist","2005","90","","240","246","10.2138/am.2005.1705","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003629","13.1988","","13.1988","","6.6288","","90","","90","","90","","1154.79","","","","","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","Tetranatrolite","- Al2.315 Ca0.474 H8 Na1.462 O12.74 Si2.685 -","- Al2.315 Ca0.474 H5.48 Na1.462 O12.74 Si2.685 -","- Al9.26 Ca1.896 H21.92 Na5.848 O50.96 Si10.74 -","4","0.25","","Lee Y; Hriljac J A; Vogt T","Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: at ambient conditions","American Mineralogist","2005","90","","247","251","10.2138/am.2005.1696","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003630","13.0666","","13.0666","","6.6632","","90","","90","","90","","1137.65","","","","373.15","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","Tetranatrolite","- Al2.315 Ca0.474 H8 Na1.462 O12.37 Si2.685 -","- Al2.315 Ca0.474 H4.74 Na1.462 O12.37 Si2.685 -","- Al9.26 Ca1.896 H18.96 Na5.848 O49.48 Si10.74 -","4","0.25","","Lee Y; Hriljac J A; Vogt T","Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 100 C","American Mineralogist","2005","90","","247","251","10.2138/am.2005.1696","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003631","12.9815","","12.9815","","6.6808","","90","","90","","90","","1125.84","","","","473.15","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","Tetranatrolite","- Al2.315 Ca0.474 H8 Na1.462 O12.102 Si2.685 -","- Al2.315 Ca0.474 H4.204 Na1.462 O12.102 Si2.685 -","- Al9.26 Ca1.896 H16.816 Na5.848 O48.408 Si10.74 -","4","0.25","","Lee Y; Hriljac J A; Vogt T","Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 200 C","American Mineralogist","2005","90","","247","251","10.2138/am.2005.1696","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003632","12.9202","","12.9202","","6.695","","90","","90","","90","","1117.61","","","","573.15","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","Tetranatrolite","- Al2.315 Ca0.474 H0.204 Na1.462 O12 Si2.685 -","- Al2.315 Ca0.474 H4 Na1.462 O12 Si2.685 -","- Al9.26 Ca1.896 H16 Na5.848 O48 Si10.74 -","4","0.25","","Lee Y; Hriljac J A; Vogt T","Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 300 C, phase I","American Mineralogist","2005","90","","247","251","10.2138/am.2005.1696","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003633","13.1503","","13.1503","","6.2469","","90","","90","","90","","1080.28","","","","573.15","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","Tetranatrolite","- Al2.315 Ca0.474 H0.204 Na1.462 O10.402 Si2.685 -","- Al2.315 Ca0.474 H0.804 Na1.462 O10.402 Si2.685 -","- Al9.26 Ca1.896 H3.216 Na5.848 O41.608 Si10.74 -","4","0.25","","Lee Y; Hriljac J A; Vogt T","Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 300 C, phase II","American Mineralogist","2005","90","","247","251","10.2138/am.2005.1696","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003634","6.48","","19.293","","9.8984","","90","","107.56","","90","","1179.82","","","","","","","","990000","","","","","5","C 1 c 1","C -2yc","9","","","Paranatrolite","- Al2 H6 Na2 O13 Si3 -","- Al2 H6 Na2 O13 Si3 -","- Al8 H24 Na8 O52 Si12 -","4","1","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced stabilization of ordered paranatrolite: A new insight into the paranatrolite controversy Sample: at P = 0.99 GPa","American Mineralogist","2005","90","","252","257","10.2138/am.2005.1588","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003635","2.613","","8.473","","6.443","","90","","90","","90","","142.648","","","","300","","","","78300000","","","","","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Hirose, K.; Kawamura, K.; Ohishi, Y.; Tateno, S.; Sata, N.","Stability and equation of state of MgGeO3 post-perovskite phase Sample: P = 78.3 GPa, T = 300 K Note: CaIrO3-type structure","American Mineralogist","2005","90","","262","265","10.2138/am.2005.1702","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003636","2.613","","8.473","","6.443","","90","","90","","90","","142.648","","","","300","","","","78300000","","","","","3","C m c m","-C 2c 2","63","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge4 Mg4 O12 -","4","0.25","","Hirose, K.; Kawamura, K.; Ohishi, Y.; Tateno, S.; Sata, N.","Stability and equation of state of MgGeO3 post-perovskite phase Sample: P = 78.3 GPa, T = 300 K Note: CaIrO3-type structure, positional parameters from MD simulation","American Mineralogist","2005","90","","262","265","10.2138/am.2005.1702","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003637","9.808","","17.84","","5.2848","","90","","104.653","","90","","894.631","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Dellaventuraite","- Al0.1 Ca0.28 Fe0.72 K0.8 Li1.8 Mg1.85 Mn0.83 Na2.92 O24 Si8 Ti0.6 -","- Al0.1 Ca0.28 Fe0.72 K0.8 Li1.8 Mg1.85 Mn0.83 Na2.92 O24 Si8 Ti0.6 -","- Al0.2 Ca0.56 Fe1.44 K1.6 Li3.6 Mg3.7 Mn1.66 Na5.84 O48 Si16 Ti1.2 -","2","0.25","","Tait, K. T.; Hawthorne, F. C.; Grice, J. D.; Ottolini, L.; Nayak, V. K.","Dellaventuraite, NaNa2(MgMn2TiLi)Si8O22O2, a new anhydrous amphibole from the Kajlidongri Manganese Mine, Jhabua District, Madhya Pradesh, India","American Mineralogist","2005","90","","304","309","10.2138/am.2005.1659","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003638","10.711","","11.085","","5.5747","","90","","98.853","","90","","654.007","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Lausenite","- Fe2 H10 O17 S3 -","- Fe2 O17 S3 -","- Fe4 O34 S6 -","2","0.5","","Majzlan, J.; Botez, C.; Stephens, P. W.","The crystal structures of synthetics Fe2(SO4)3(H2O)5 and the type specimen of lausenite","American Mineralogist","2005","90","","411","416","10.2138/am.2005.1701","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9003639","5.8515","","8.7768","","13.1107","","90","","90","","90","","673.332","","","","215","","","","","","","","","5","P m c n","","","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.5","","Sondergeld, P.; Schranz, W.; Troster, A.; Armbruster, T.; Giester, G.; Kityk, A.; Carpenter, M. A.","Ordering and elasticity associated with low-temperature phase transitions in lawsonite Sample at T = 215 K","American Mineralogist","2005","90","","448","456","10.2138/am.2005.1243","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003640","15.8031","","15.8031","","7.0877","","90","","90","","120","","1532.92","","","","","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","Rossmanite","- Al8.982 B3.324 H5 Na0.484 O31 Si5.676 -","- Al8.982 B3.324 H3 Na0.484 O31 Si5.676 -","- Al26.946 B9.972 H9 Na1.452 O93 Si17.028 -","3","0.166667","","Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T.","Mn-bearing ""oxy-rossmanite"" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT1 from Eibenstein an der Thaya, Lower Austria Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 (Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] Tourmaline","American Mineralogist","2005","90","","481","487","10.2138/am.2005.1683","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003641","15.8171","","15.8171","","7.0935","","90","","90","","120","","1536.9","","","","","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","Rossmanite","- Al9 B3.39 H3 Na0.478 O31 Si5.61 -","- Al9 B3.39 H3 Na0.478 O31 Si5.61 -","- Al27 B10.17 H9 Na1.434 O93 Si16.83 -","3","0.166667","","Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T.","Mn-bearing ""oxy-rossmanite"" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT4 from Eibenstein an der Thaya, Lower Austria Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6 (Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04] Tourmaline","American Mineralogist","2005","90","","481","487","10.2138/am.2005.1683","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003642","12.567","","12.567","","12.567","","90","","90","","90","","1984.7","","","","","","","","80000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite (deuterated)","- Al2 Ca3 D12 O12 -","- Al2 Ca3 D12 O12 -","- Al16 Ca24 D96 O96 -","8","0.0833333","","Lager, G. A.; Marshall, W. G.; Liu, Z.; Downs, R. T.","Re-examination of the hydrogarnet structure at high pressure using neutron powder diffraction and infrared spectroscopy Sample: P = 0.08 GPa","American Mineralogist","2005","90","","639","644","10.2138/am.2005.1631","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003643","12.5163","","12.5163","","12.5163","","90","","90","","90","","1960.78","","","","","","","","800000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite (deuterated)","- Al2 Ca3 D12 O12 -","- Al2 Ca3 D12 O12 -","- Al16 Ca24 D96 O96 -","8","0.0833333","","Lager, G. A.; Marshall, W. G.; Liu, Z.; Downs, R. T.","Re-examination of the hydrogarnet structure at high pressure using neutron powder diffraction and infrared spectroscopy Sample: P = 0.80 GPa","American Mineralogist","2005","90","","639","644","10.2138/am.2005.1631","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003644","12.4557","","12.4557","","12.4557","","90","","90","","90","","1932.43","","","","","","","","1720000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite (deuterated)","- Al2 Ca3 D12 O12 -","- Al2 Ca3 D12 O12 -","- Al16 Ca24 D96 O96 -","8","0.0833333","","Lager, G. A.; Marshall, W. G.; Liu, Z.; Downs, R. T.","Re-examination of the hydrogarnet structure at high pressure using neutron powder diffraction and infrared spectroscopy Sample: P = 1.72 GPa","American Mineralogist","2005","90","","639","644","10.2138/am.2005.1631","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003645","12.3783","","12.3783","","12.3783","","90","","90","","90","","1896.63","","","","","","","","2980000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite (deuterated)","- Al2 Ca3 D12 O12 -","- Al2 Ca3 D12 O12 -","- Al16 Ca24 D96 O96 -","8","0.0833333","","Lager, G. A.; Marshall, W. G.; Liu, Z.; Downs, R. T.","Re-examination of the hydrogarnet structure at high pressure using neutron powder diffraction and infrared spectroscopy Sample: P = 2.98 GPa","American Mineralogist","2005","90","","639","644","10.2138/am.2005.1631","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003646","12.3165","","12.3165","","12.3165","","90","","90","","90","","1868.37","","","","","","","","4050000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite (deuterated)","- Al2 Ca3 D12 O12 -","- Al2 Ca3 D12 O12 -","- Al16 Ca24 D96 O96 -","8","0.0833333","","Lager, G. A.; Marshall, W. G.; Liu, Z.; Downs, R. T.","Re-examination of the hydrogarnet structure at high pressure using neutron powder diffraction and infrared spectroscopy Sample: P = 4.05 GPa","American Mineralogist","2005","90","","639","644","10.2138/am.2005.1631","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003647","12.2441","","12.2441","","12.2441","","90","","90","","90","","1835.61","","","","","","","","5400000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite (deuterated)","- Al2 Ca3 D12 O12 -","- Al2 Ca3 D12 O12 -","- Al16 Ca24 D96 O96 -","8","0.0833333","","Lager, G. A.; Marshall, W. G.; Liu, Z.; Downs, R. T.","Re-examination of the hydrogarnet structure at high pressure using neutron powder diffraction and infrared spectroscopy Sample: P = 5.40 GPa","American Mineralogist","2005","90","","639","644","10.2138/am.2005.1631","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003648","12.1812","","12.1812","","12.1812","","90","","90","","90","","1807.47","","","","","","","","6650000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite (deuterated)","- Al2 Ca3 D12 O12 -","- Al2 Ca3 D12 O12 -","- Al16 Ca24 D96 O96 -","8","0.0833333","","Lager, G. A.; Marshall, W. G.; Liu, Z.; Downs, R. T.","Re-examination of the hydrogarnet structure at high pressure using neutron powder diffraction and infrared spectroscopy Sample: P = 6.65 GPa","American Mineralogist","2005","90","","639","644","10.2138/am.2005.1631","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003649","12.1388","","12.1388","","12.1388","","90","","90","","90","","1788.66","","","","","","","","7550000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite (deuterated)","- Al2 Ca3 D12 O12 -","- Al2 Ca3 D12 O12 -","- Al16 Ca24 D96 O96 -","8","0.0833333","","Lager, G. A.; Marshall, W. G.; Liu, Z.; Downs, R. T.","Re-examination of the hydrogarnet structure at high pressure using neutron powder diffraction and infrared spectroscopy Sample: P = 7.55 GPa","American Mineralogist","2005","90","","639","644","10.2138/am.2005.1631","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003650","12.0926","","12.0926","","12.0926","","90","","90","","90","","1768.31","","","","","","","","8560000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite (deuterated)","- Al2 Ca3 D12 O12 -","- Al2 Ca3 D12 O12 -","- Al16 Ca24 D96 O96 -","8","0.0833333","","Lager, G. A.; Marshall, W. G.; Liu, Z.; Downs, R. T.","Re-examination of the hydrogarnet structure at high pressure using neutron powder diffraction and infrared spectroscopy Sample: P = 8.56 GPa","American Mineralogist","2005","90","","639","644","10.2138/am.2005.1631","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003651","12.0549","","12.0549","","12.0549","","90","","90","","90","","1751.82","","","","","","","","9420000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Katoite (deuterated)","- Al2 Ca3 D12 O12 -","- Al2 Ca3 D12 O12 -","- Al16 Ca24 D96 O96 -","8","0.0833333","","Lager, G. A.; Marshall, W. G.; Liu, Z.; Downs, R. T.","Re-examination of the hydrogarnet structure at high pressure using neutron powder diffraction and infrared spectroscopy Sample: P = 9.42 GPa","American Mineralogist","2005","90","","639","644","10.2138/am.2005.1631","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003652","13.335","","13.335","","22.823","","90","","90","","120","","3514.71","","","","","","","","100","","","","Beech Creek, Grant County, Oregon","7","R -3 m :H","-R 3 2""","166","","","Levyne-Ca","- Al5.574 Ca2 H72 K0.48 Na0.3 O61.56 Si12.426 -","- Al5.574 Ca2 H39.12 K0.48 Na0.3 O55.56 Si12.426 -","- Al16.722 Ca6 H117.36 K1.44 Na0.9 O166.68 Si37.278 -","3","0.0833333","","Gatta, G. D.; Comodi, P.; Zanazzi, P. F.; Ballaran, T. B.","Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne Locality: Beech Creek, Grant County, Oregon P = .0001 GPa uncompressed","American Mineralogist","2005","90","","645","652","10.2138/am.2005.1768","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:26",""
"9003653","13.196","","13.196","","22.895","","90","","90","","120","","3452.68","","","","","","","","790000","","","","Beech Creek, Grant County, Oregon","7","R -3 m :H","-R 3 2""","166","","","Levyne-Ca","- Al5.574 Ca2.28 H60 K0.56 Na0.4 O60.78 Si12.426 -","- Al5.574 Ca2.28 H49.56 K0.56 Na0.4 O60.78 Si12.426 -","- Al16.722 Ca6.84 H148.68 K1.68 Na1.2 O182.34 Si37.278 -","3","0.0833333","","Gatta, G. D.; Comodi, P.; Zanazzi, P. F.; Ballaran, T. B.","Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne Locality: Beech Creek, Grant County, Oregon P = .79 GPa","American Mineralogist","2005","90","","645","652","10.2138/am.2005.1768","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003654","13","","13","","22.676","","90","","90","","120","","3318.82","","","","","","","","3000000","","","","Beech Creek, Grant County, Oregon","7","R -3 m :H","-R 3 2""","166","","","Levyne-Ca","- Al5.574 Ca2.56 H72 K0.56 Na0.5 O66.72 Si12.426 -","- Al5.574 Ca2.56 H49.44 K0.56 Na0.5 O60.72 Si12.426 -","- Al16.722 Ca7.68 H148.32 K1.68 Na1.5 O182.16 Si37.278 -","3","0.0833333","","Gatta, G. D.; Comodi, P.; Zanazzi, P. F.; Ballaran, T. B.","Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne Locality: Beech Creek, Grant County, Oregon P = 3.0 GPa","American Mineralogist","2005","90","","645","652","10.2138/am.2005.1768","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:26",""
"9003655","13.327","","13.327","","22.861","","90","","90","","120","","3516.34","","","","","","","","100","","","","Beech Creek, Grant County, Oregon","7","R -3 m :H","-R 3 2""","166","","","Levyne-Ca","- Al5.574 Ca2.16 H60 K0.5 Na0.1 O61.44 Si12.426 -","- Al5.574 Ca2.16 H38.88 K0.5 Na0.1 O55.44 Si12.426 -","- Al16.722 Ca6.48 H116.64 K1.5 Na0.3 O166.32 Si37.278 -","3","0.0833333","","Gatta, G. D.; Comodi, P.; Zanazzi, P. F.; Ballaran, T. B.","Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne Locality: Beech Creek, Grant County, Oregon P = .0001 GPa decompressed","American Mineralogist","2005","90","","645","652","10.2138/am.2005.1768","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:26",""
"9003656","12.024","","12.629","","6.515","","90","","114.58","","90","","899.66","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Alluaudite","- Fe Mn2.02 Na1.862 O12 P3 -","- Fe Mn2.02 Na1.862 O12 P3 -","- Fe4 Mn8.08 Na7.448 O48 P12 -","4","0.5","","Hatert, F.; Rebbouh, L.; Hermann, R. P.; Fransolet, A. M.; Long, G. J.; Grandjean, F.","Crystal chemistry of the hydrothermally synthesized Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution Sample: Na2Mn2Fe3+(PO4)3 (x = 0.00)","American Mineralogist","2005","90","","653","662","10.2138/am.2005.1551","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003657","11.995","","12.596","","6.495","","90","","114.6","","90","","892.254","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Alluaudite","- Fe1.5 Mn1.538 Na1.56 O12 P3 -","- Fe1.5 Mn1.538 Na1.56 O12 P3 -","- Fe6 Mn6.152 Na6.24 O48 P12 -","4","0.5","","Hatert, F.; Rebbouh, L.; Hermann, R. P.; Fransolet, A. M.; Long, G. J.; Grandjean, F.","Crystal chemistry of the hydrothermally synthesized Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution Sample: Na2Mn1.5Fe2+0.5Fe3+(PO4)3 (x = 0.25)","American Mineralogist","2005","90","","653","662","10.2138/am.2005.1551","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003658","11.944","","12.56","","6.48","","90","","114.52","","90","","884.44","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Alluaudite","- Fe1.964 Mn Na1.738 O12 P3 -","- Fe1.964 Mn Na1.738 O12 P3 -","- Fe7.856 Mn4 Na6.952 O48 P12 -","4","0.5","","Hatert, F.; Rebbouh, L.; Hermann, R. P.; Fransolet, A. M.; Long, G. J.; Grandjean, F.","Crystal chemistry of the hydrothermally synthesized Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution Sample: Na2MnFe2+Fe3+(PO4)3 (x = 0.50)","American Mineralogist","2005","90","","653","662","10.2138/am.2005.1551","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003659","11.894","","12.536","","6.471","","90","","114.49","","90","","878.043","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Alluaudite","- Fe2.48 Mn0.442 Na1.762 O12 P3 -","- Fe2.48 Mn0.442 Na1.762 O12 P3 -","- Fe9.92 Mn1.768 Na7.048 O48 P12 -","4","0.5","","Hatert, F.; Rebbouh, L.; Hermann, R. P.; Fransolet, A. M.; Long, G. J.; Grandjean, F.","Crystal chemistry of the hydrothermally synthesized Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution Sample: Na2Mn0.5Fe2+1.5Fe3+(PO4)3 (x = 0.75)","American Mineralogist","2005","90","","653","662","10.2138/am.2005.1551","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003660","11.849","","12.539","","6.486","","90","","114.51","","90","","876.819","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Alluaudite","- Fe3 Na1.702 O12 P3 -","- Fe3 Na1.702 O12 P3 -","- Fe12 Na6.808 O48 P12 -","4","0.5","","Hatert, F.; Rebbouh, L.; Hermann, R. P.; Fransolet, A. M.; Long, G. J.; Grandjean, F.","Crystal chemistry of the hydrothermally synthesized Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution Sample: Na2Fe2+2Fe3+(PO4)3 (x = 1.00)","American Mineralogist","2005","90","","653","662","10.2138/am.2005.1551","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003661","3.668","","6.418","","7.159","","90","","90","","90","","168.532","","","","493.15","","","","","","","","","3","I m m m","-I 2 2","71","","","","- Fe O8 S2 -","- Fe O8 S2 -","- Fe2 O16 S4 -","2","0.125","","Ventruti, G.; Scordari, F.; Schingaro, E.; Gualtieri, A. F.; Meneghini, C.","The order-disorder character of FeOHSO4 obtained from the thermal decomposition of metahohmannite, Fe3+2(H2O)4[O(SO4)2] Sample: T = 220 C Note: this is a fictitious ""superposition structure"", resulting from Rietveld refinement of a structure with disordered layer stacking","American Mineralogist","2005","90","","679","686","10.2138/am.2005.1739","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003662","7.33","","7.14","","7.39","","90","","119.7","","90","","335.956","","","","493.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Fe O5 S -","- Fe O5 S -","- Fe4 O20 S4 -","4","1","","Ventruti, G.; Scordari, F.; Schingaro, E.; Gualtieri, A. F.; Meneghini, C.","The order-disorder character of FeOHSO4 obtained from the thermal decomposition of metahohmannite, Fe3+2(H2O)4[O(SO4)2] Sample: T = 220 C Note: this is the MDO2 polytype, a maximally ordered member of a family of OD structures","American Mineralogist","2005","90","","679","686","10.2138/am.2005.1739","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003663","7.15","","8.89941","","6.65482","","90","","113.73","","90","","387.649","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge O5 Ti0.954 Zr0.046 -","- Ca Ge O5 Ti0.954 Zr0.046 -","- Ca4 Ge4 O20 Ti3.816 Zr0.184 -","4","1","","Ellemann-Olesen R; Malcherek, T.","Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti95, titanite structure","American Mineralogist","2005","90","","687","694","10.2138/am.2005.1767","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003664","7.15461","","8.90612","","6.65901","","90","","113.701","","90","","388.523","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge O5 Ti0.908 Zr0.091 -","- Ca Ge O5 Ti0.908 Zr0.091 -","- Ca4 Ge4 O20 Ti3.632 Zr0.364 -","4","1","","Ellemann-Olesen R; Malcherek, T.","Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti90, titanite structure","American Mineralogist","2005","90","","687","694","10.2138/am.2005.1767","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003665","7.1749","","8.93321","","6.67312","","90","","113.6","","90","","391.94","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","","- Ca Ge O5 Ti0.807 Zr0.192 -","- Ca Ge O5 Ti0.807 Zr0.192 -","- Ca4 Ge4 O20 Ti3.228 Zr0.768 -","4","0.5","","Ellemann-Olesen R; Malcherek, T.","Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti80, hi-T titanite structure","American Mineralogist","2005","90","","687","694","10.2138/am.2005.1767","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003666","7.25821","","9.01791","","6.722","","90","","113.351","","90","","403.944","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","","- Ca Ge O5 Ti0.507 Zr0.492 -","- Ca Ge O5 Ti0.507 Zr0.492 -","- Ca4 Ge4 O20 Ti2.028 Zr1.968 -","4","0.5","","Ellemann-Olesen R; Malcherek, T.","Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti50, hi-T titanite structure","American Mineralogist","2005","90","","687","694","10.2138/am.2005.1767","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003667","7.35292","","9.1","","6.75633","","89.085","","113.024","","91.001","","415.981","","","","","","","","","","","","","5","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","","","- Ca Ge O5 Ti0.222 Zr0.778 -","- Ca Ge O5 Ti0.222 Zr0.778 -","- Ca4 Ge4 O20 Ti0.888 Zr3.112 -","4","","","Ellemann-Olesen R; Malcherek, T.","Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti20, triclinically distorted titanite structure","American Mineralogist","2005","90","","687","694","10.2138/am.2005.1767","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003668","7.38422","","9.12413","","6.76031","","88.765","","112.877","","91.297","","419.499","","","","","","","","","","","","","5","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","","","- Ca Ge O5 Ti0.114 Zr0.885 -","- Ca Ge O5 Ti0.114 Zr0.885 -","- Ca4 Ge4 O20 Ti0.456 Zr3.54 -","4","","","Ellemann-Olesen R; Malcherek, T.","Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti10, triclinically distorted titanite structure","American Mineralogist","2005","90","","687","694","10.2138/am.2005.1767","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003671","5.31","","9.18","","9.754","","96.2","","96.5","","89.9","","469.621","","","","","","","","","","","","","7","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Wonesite","- Al1.27 Fe0.42 K0.09 Mg2.13 Na0.46 O12 Si3.12 -","- Al1.27 Fe0.42 K0.09 Mg2.13 Na0.46 O12 Si3.12 -","- Al2.54 Fe0.84 K0.18 Mg4.26 Na0.92 O24 Si6.24 -","2","","","Kogure, T.; Miyawaki, R.; Banno, Y.","The true structure of wonesite, an interlayer-deficient trioctahedral sodium mica","American Mineralogist","2005","90","","725","731","10.2138/am.2005.1791","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003672","9.368","","17.616","","5.271","","90","","102.38","","90","","849.629","","","","","","","","","","","","","14","C 1 2/m 1","-C 2y","12","","","Fluoro-sodic-pedrizite","- Al2.02 Ca0.04 Cr0.01 F0.9 Fe0.52 H1.1 K0.01 Li2.57 Mg1.82 Mn0.02 Na0.67 O23.1 Si7.96 Zn0.01 -","- Al2.02 Ca0.04 Cr0.01 F0.9 Fe0.52 H1.1 K0.01 Li2.57 Mg1.82 Mn0.02 Na0.67 O23.1 Si7.96 Zn0.01 -","- Al4.04 Ca0.08 Cr0.02 F1.8 Fe1.04 H2.2 K0.02 Li5.14 Mg3.64 Mn0.04 Na1.34 O46.2 Si15.92 Zn0.02 -","2","0.25","","Oberti, R.; Camara, F.; Ottolini, L.","Clinoholmquistite discredited: The new amphibole end-member fluoro-sodic-pedrizite sample from Tastyg spodumene deposit, Tuva, Siberia, Russia","American Mineralogist","2005","90","","732","736","10.2138/am.2005.1763","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9003673","9.848","","18.049","","5.279","","90","","104.73","","90","","907.486","","","","","","","","","","","","","14","C 1 2/m 1","-C 2y","12","","","Tremolite","- Al0.144 B0.008 Ca1.85 F0.33 Fe0.18 H1.67 K0.1 Mg4.75 Mn0.01 Na0.31 O23.67 Si7.928 Ti0.01 Zn0.01 -","- Al0.144 B0.008 Ca1.85 F0.33 Fe0.18 H1.67 K0.1 Mg4.75 Mn0.01 Na0.31 O23.67 Si7.928 Ti0.01 Zn0.01 -","- Al0.288 B0.016 Ca3.7 F0.66 Fe0.36 H3.34 K0.2 Mg9.5 Mn0.02 Na0.62 O47.34 Si15.856 Ti0.02 Zn0.02 -","2","0.25","","Oberti, R.; Camara, F.; Ottolini, L.","Clinoholmquistite discredited: The new amphibole end-member fluoro-sodic-pedrizite sample from Tastyg spodumene deposit, Tuva, Siberia, Russia","American Mineralogist","2005","90","","732","736","10.2138/am.2005.1763","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:35",""
"9003674","12.535","","12.535","","12.37","","90","","90","","90","","1943.65","","","","","","","","","","synthesized at 3 GPa and 1000 C","synthesized at 3 GPa","","3","I 41/a :2","-I 4ad","88","","","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca32 Ge32 O96 -","32","2","","Nakatsuka, A.; Chaya, H.; Yoshiasa, A.","Crystal structure of single-crystal CaGeO3 tetragonal garnet synthesized at 3 GPa and 1000 C","American Mineralogist","2005","90","","755","757","10.2138/am.2005.1801","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003675","12.535","","12.535","","12.37","","90","","90","","90","","1943.65","","","","","","","","","","synthesized at 3 GPa and 1000 C","synthesized at 3 GPa","","3","I 41/a","","","","","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca32 Ge32 O96 -","32","","","Nakatsuka, A.; Chaya, H.; Yoshiasa, A.","Crystal structure of single-crystal CaGeO3 tetragonal garnet synthesized at 3 GPa and 1000 C Note: alternate origin, resulting in coordinates similar to some majorite refinements","American Mineralogist","2005","90","","732","736","10.2138/am.2005.1763","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003676","9.8381","","10.5361","","12.2381","","108.697","","103.335","","82.191","","1166.56","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Mn5 O15 Si5 -","- Mn5 O15 Si5 -","- Mn20 O60 Si20 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4018 Note: see samples 15-4029 and 15-4024 for plausible typical ""fowlerite"" and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003677","9.7718","","10.5084","","12.2256","","108.606","","103.017","","82.482","","1156.84","","","","","","","","","","","","","7","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Ca1.001 Fe0.209 Mg0.13 Mn3.275 O15 Si5 Zn0.41 -","- Ca1.001 Fe0.209 Mg0.13 Mn3.275 O15 Si5 Zn0.41 -","- Ca4.004 Fe0.836 Mg0.52 Mn13.1 O60 Si20 Zn1.64 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4024 Note: this is a plausible typical cation distribution for ""fowlerite""","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003678","9.7999","","10.5176","","12.2365","","108.587","","103.185","","82.32","","1161.4","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Mn5 O15 Si5 -","- Mn5 O15 Si5 -","- Mn20 O60 Si20 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4025 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003679","9.7902","","10.5184","","12.223","","108.644","","103.159","","82.308","","1158.78","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Mn5 O15 Si5 -","- Mn5 O15 Si5 -","- Mn20 O60 Si20 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4026 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003680","9.8451","","10.5389","","12.2414","","108.692","","103.299","","82.184","","1168.19","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Mn5 O15 Si5 -","- Mn5 O15 Si5 -","- Mn20 O60 Si20 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4030 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003681","9.8121","","10.5187","","12.218","","108.651","","103.217","","82.308","","1160.63","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Mn5 O15 Si5 -","- Mn5 O15 Si5 -","- Mn20 O60 Si20 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4031 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003682","9.7834","","10.5023","","12.2338","","108.682","","103.273","","82.213","","1156.34","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Mn5 O15 Si5 -","- Mn5 O15 Si5 -","- Mn20 O60 Si20 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4033 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003683","9.7648","","10.4912","","12.2228","","108.671","","103.177","","82.284","","1152.47","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Mn5 O15 Si5 -","- Mn5 O15 Si5 -","- Mn20 O60 Si20 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4034 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003684","9.8456","","10.4992","","12.2005","","108.726","","103.724","","82.113","","1157.76","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Ca Mn3 O15 Si5 Zn -","- Ca Mn3 O15 Si5 Zn -","- Ca4 Mn12 O60 Si20 Zn4 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4006 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003685","9.8768","","10.5222","","12.218","","108.748","","103.781","","82.037","","1165.12","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Ca Mn3 O15 Si5 Zn -","- Ca Mn3 O15 Si5 Zn -","- Ca4 Mn12 O60 Si20 Zn4 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4014 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003686","9.8393","","10.4941","","12.1977","","108.751","","103.751","","82.091","","1155.87","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Ca Mn3 O15 Si5 Zn -","- Ca Mn3 O15 Si5 Zn -","- Ca4 Mn12 O60 Si20 Zn4 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4020 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003687","9.8337","","10.4987","","12.1966","","108.699","","103.597","","82.221","","1156.83","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Ca Mn3 O15 Si5 Zn -","- Ca Mn3 O15 Si5 Zn -","- Ca4 Mn12 O60 Si20 Zn4 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4027 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003688","9.864","","10.5237","","12.218","","108.727","","103.705","","82.082","","1164.33","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Ca Mn3 O15 Si5 Zn -","- Ca Mn3 O15 Si5 Zn -","- Ca4 Mn12 O60 Si20 Zn4 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4028 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003689","9.8793","","10.5298","","12.2257","","108.744","","103.752","","82.03","","1167.14","","","","","","","","","","","","","7","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Ca0.3 Fe0.4 Mg0.1 Mn4.292 O15 Si5 Zn0.005 -","- Ca0.3 Fe0.4 Mg0.1 Mn4.292 O15 Si5 Zn0.005 -","- Ca1.2 Fe1.6 Mg0.4 Mn17.168 O60 Si20 Zn0.02 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4029 Note: this is a plausible typical cation distribution for rhodonite","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003690","9.8719","","10.5262","","12.2214","","108.743","","103.728","","82.049","","1165.6","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Ca Mn3 O15 Si5 Zn -","- Ca Mn3 O15 Si5 Zn -","- Ca4 Mn12 O60 Si20 Zn4 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4040 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003691","9.8905","","10.5423","","12.2294","","108.739","","103.773","","82.05","","1170.18","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Rhodonite","- Ca Mn3 O15 Si5 Zn -","- Ca Mn3 O15 Si5 Zn -","- Ca4 Mn12 O60 Si20 Zn4 -","4","","","Nelson, W. R.; Griffen, D. T.","Crystal chemistry of Zn-rich rhodonite (""fowlerite"") Sample: 15-4041 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions","American Mineralogist","2005","90","","969","983","10.2138/am.2005.1694","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003692","5.323","","9.203","","10.216","","90","","99.98","","90","","492.884","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- H4 Mg3 O13 Si4 -","- H4 Mg3 O13 Si4 -","- H8 Mg6 O26 Si8 -","2","0.25","","Comodi, P.; Fumagalli, P.; Nazzareni, S.; Zanazzi, P. F.","The 10 A phase: Crystal structure from single-crystal X-ray data","American Mineralogist","2005","90","","1012","1016","10.2138/am.2005.1831","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003693","10.0439","","17.9883","","5.2708","","90","","104.803","","90","","920.683","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.02 H2 K0.954 Mg5 Na0.98 O24 Si8 -","- Ca1.02 H2 K0.954 Mg5 Na0.98 O24 Si8 -","- Ca2.04 H4 K1.908 Mg10 Na1.96 O48 Si16 -","2","0.25","","Senda, K.; Ishida, K.; Jenkins, D. M.","X-ray Rietveld refinement and FTIR spectra of synthetic (Si,Ge)-richterites Sample: KGe0Ri, K in A site, Si100Ge0","American Mineralogist","2005","90","","1062","1071","10.2138/am.2005.1644","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003694","9.9032","","17.9885","","5.2692","","90","","104.25","","90","","909.793","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca0.98 H2 Mg5 Na1.87 O24 Si8 -","- Ca0.98 H2 Mg5 Na1.87 O24 Si8 -","- Ca1.96 H4 Mg10 Na3.74 O48 Si16 -","2","0.25","","Senda, K.; Ishida, K.; Jenkins, D. M.","X-ray Rietveld refinement and FTIR spectra of synthetic (Si,Ge)-richterites Sample: Ge0Ri, Na in A site, Si100Ge0","American Mineralogist","2005","90","","1062","1071","10.2138/am.2005.1644","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003695","10.0144","","18.071","","5.3058","","90","","104.625","","90","","929.081","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca0.9 Ge2.04 H2 Mg5 Na1.54 O24 Si5.96 -","- Ca0.9 Ge2.04 H2 Mg5 Na1.54 O24 Si5.96 -","- Ca1.8 Ge4.08 H4 Mg10 Na3.08 O48 Si11.92 -","2","0.25","","Senda, K.; Ishida, K.; Jenkins, D. M.","X-ray Rietveld refinement and FTIR spectra of synthetic (Si,Ge)-richterites Sample: Ge2Ri, Si74Ge26","American Mineralogist","2005","90","","1062","1071","10.2138/am.2005.1644","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003696","10.1237","","18.147","","5.3386","","90","","105.067","","90","","947.063","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca0.98 Ge4.12 H2 Mg5 Na1.47 O24 Si3.88 -","- Ca0.98 Ge4.12 H2 Mg5 Na1.47 O24 Si3.88 -","- Ca1.96 Ge8.24 H4 Mg10 Na2.94 O48 Si7.76 -","2","0.25","","Senda, K.; Ishida, K.; Jenkins, D. M.","X-ray Rietveld refinement and FTIR spectra of synthetic (Si,Ge)-richterites Sample: Ge4Ri, Si48Ge52","American Mineralogist","2005","90","","1062","1071","10.2138/am.2005.1644","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003697","10.2255","","18.2144","","5.3683","","90","","105.555","","90","","963.232","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca0.88 Ge6.08 H2 Mg5 Na1.58 O24 Si1.92 -","- Ca0.88 Ge6.08 H2 Mg5 Na1.58 O24 Si1.92 -","- Ca1.76 Ge12.16 H4 Mg10 Na3.16 O48 Si3.84 -","2","0.25","","Senda, K.; Ishida, K.; Jenkins, D. M.","X-ray Rietveld refinement and FTIR spectra of synthetic (Si,Ge)-richterites Sample: Ge6Ri, Si24Ge76","American Mineralogist","2005","90","","1062","1071","10.2138/am.2005.1644","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003698","10.3244","","18.282","","5.3994","","90","","106.015","","90","","979.587","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca0.84 Ge8 H2 Mg5 Na1.62 O24 -","- Ca0.84 Ge8 H2 Mg5 Na1.62 O24 -","- Ca1.68 Ge16 H4 Mg10 Na3.24 O48 -","2","0.25","","Senda, K.; Ishida, K.; Jenkins, D. M.","X-ray Rietveld refinement and FTIR spectra of synthetic (Si,Ge)-richterites Sample: Ge8Ri, Si0Ge100","American Mineralogist","2005","90","","1062","1071","10.2138/am.2005.1644","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003699","25.262","","14.563","","6.492","","90","","90","","90","","2388.34","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","Wakabayashilite","- As9.3 S14 Sb0.7 -","- As9.3 S14 Sb0.7 -","- As37.2 S56 Sb2.8 -","4","1","","Bonazzi, P.; Lampronti, G. I.; Bindi, L.; Zandari, S.","Wakabayashilite, [(As,Sb)6S9][As4S5]: crystal structure, psuedosymmetry, twinning, and revised chemical formula Sample: White Caps Mine, Nevada","American Mineralogist","2005","90","","1108","1114","10.2138/am.2005.1809","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003700","7.7176","","12.5592","","7.0113","","93.963","","117.177","","88.132","","603.111","","","","","","","","6489000","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Albite","- Al Na O8 Si3 -","- Al Na O8 Si3 -","- Al4 Na4 O32 Si12 -","4","","","Benusa, M. D.; Angel, R. J.; Ross, N. L.","Compression of albite, NaAlSi3O8 Sample: Amelia Court House, Virginia locality P = 6.489 GPa","American Mineralogist","2005","90","","1115","1120","10.2138/am.2005.1805","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9003701","7.5713","","12.517","","6.9697","","93.797","","117.448","","87.508","","584.814","","","","","","","","8411000","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Albite","- Al Na O8 Si3 -","- Al Na O8 Si3 -","- Al4 Na4 O32 Si12 -","4","","","Benusa, M. D.; Angel, R. J.; Ross, N. L.","Compression of albite, NaAlSi3O8 Sample: Amelia Court House, Virginia locality P = 8.411 GPa","American Mineralogist","2005","90","","1115","1120","10.2138/am.2005.1805","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9003702","7.5028","","12.4933","","6.9463","","93.903","","117.791","","86.786","","574.453","","","","","","","","9431000","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Albite","- Al Na O8 Si3 -","- Al Na O8 Si3 -","- Al4 Na4 O32 Si12 -","4","","","Benusa, M. D.; Angel, R. J.; Ross, N. L.","Compression of albite, NaAlSi3O8 Sample: Amelia Court House, Virginia locality P = 9.431 GPa","American Mineralogist","2005","90","","1115","1120","10.2138/am.2005.1805","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9003703","8.3291","","8.3291","","8.3291","","90","","90","","90","","577.822","","","","298","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Zincochromite","- Cr2 O4 Zn -","- Cr2 O4 Zn -","- Cr16 O32 Zn8 -","8","0.0416667","","Levy, D.; Diella, V.; Pavese, A.; Dapiaggi, M.; Sani, A.","P-V equation of state, thermal expansion, and P-T stability of synthetic zincochromite (ZnCr2O4 spinel) Sample: T = 298 K","American Mineralogist","2005","90","","1157","1162","10.2138/am.2005.1755","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003704","8.333","","8.333","","8.333","","90","","90","","90","","578.634","","","","393","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Zincochromite","- Cr2 O4 Zn -","- Cr2 O4 Zn -","- Cr16 O32 Zn8 -","8","0.0416667","","Levy, D.; Diella, V.; Pavese, A.; Dapiaggi, M.; Sani, A.","P-V equation of state, thermal expansion, and P-T stability of synthetic zincochromite (ZnCr2O4 spinel) Sample: T = 393 K","American Mineralogist","2005","90","","1157","1162","10.2138/am.2005.1755","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003705","8.3391","","8.3391","","8.3391","","90","","90","","90","","579.906","","","","463","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Zincochromite","- Cr2 O4 Zn -","- Cr2 O4 Zn -","- Cr16 O32 Zn8 -","8","0.0416667","","Levy, D.; Diella, V.; Pavese, A.; Dapiaggi, M.; Sani, A.","P-V equation of state, thermal expansion, and P-T stability of synthetic zincochromite (ZnCr2O4 spinel) Sample: T = 463 K","American Mineralogist","2005","90","","1157","1162","10.2138/am.2005.1755","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003706","8.3456","","8.3456","","8.3456","","90","","90","","90","","581.263","","","","613","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Zincochromite","- Cr2 O4 Zn -","- Cr2 O4 Zn -","- Cr16 O32 Zn8 -","8","0.0416667","","Levy, D.; Diella, V.; Pavese, A.; Dapiaggi, M.; Sani, A.","P-V equation of state, thermal expansion, and P-T stability of synthetic zincochromite (ZnCr2O4 spinel) Sample: T = 613 K","American Mineralogist","2005","90","","1157","1162","10.2138/am.2005.1755","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003707","8.3519","","8.3519","","8.3519","","90","","90","","90","","582.58","","","","702","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Zincochromite","- Cr2 O4 Zn -","- Cr2 O4 Zn -","- Cr16 O32 Zn8 -","8","0.0416667","","Levy, D.; Diella, V.; Pavese, A.; Dapiaggi, M.; Sani, A.","P-V equation of state, thermal expansion, and P-T stability of synthetic zincochromite (ZnCr2O4 spinel) Sample: T = 702 K","American Mineralogist","2005","90","","1157","1162","10.2138/am.2005.1755","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003708","8.3588","","8.3588","","8.3588","","90","","90","","90","","584.025","","","","788","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Zincochromite","- Cr2 O4 Zn -","- Cr2 O4 Zn -","- Cr16 O32 Zn8 -","8","0.0416667","","Levy, D.; Diella, V.; Pavese, A.; Dapiaggi, M.; Sani, A.","P-V equation of state, thermal expansion, and P-T stability of synthetic zincochromite (ZnCr2O4 spinel) Sample: T = 788 K","American Mineralogist","2005","90","","1157","1162","10.2138/am.2005.1755","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003709","8.3654","","8.3654","","8.3654","","90","","90","","90","","585.41","","","","901","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Zincochromite","- Cr2 O4 Zn -","- Cr2 O4 Zn -","- Cr16 O32 Zn8 -","8","0.0416667","","Levy, D.; Diella, V.; Pavese, A.; Dapiaggi, M.; Sani, A.","P-V equation of state, thermal expansion, and P-T stability of synthetic zincochromite (ZnCr2O4 spinel) Sample: T = 901 K","American Mineralogist","2005","90","","1157","1162","10.2138/am.2005.1755","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003710","8.3716","","8.3716","","8.3716","","90","","90","","90","","586.713","","","","994","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Zincochromite","- Cr2 O4 Zn -","- Cr2 O4 Zn -","- Cr16 O32 Zn8 -","8","0.0416667","","Levy, D.; Diella, V.; Pavese, A.; Dapiaggi, M.; Sani, A.","P-V equation of state, thermal expansion, and P-T stability of synthetic zincochromite (ZnCr2O4 spinel) Sample: T = 994 K","American Mineralogist","2005","90","","1157","1162","10.2138/am.2005.1755","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003711","8.3777","","8.3777","","8.3777","","90","","90","","90","","587.996","","","","1072","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Zincochromite","- Cr2 O4 Zn -","- Cr2 O4 Zn -","- Cr16 O32 Zn8 -","8","0.0416667","","Levy, D.; Diella, V.; Pavese, A.; Dapiaggi, M.; Sani, A.","P-V equation of state, thermal expansion, and P-T stability of synthetic zincochromite (ZnCr2O4 spinel) Sample: T = 1072 K","American Mineralogist","2005","90","","1157","1162","10.2138/am.2005.1755","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003712","8.3834","","8.3834","","8.3834","","90","","90","","90","","589.197","","","","1162","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Zincochromite","- Cr2 O4 Zn -","- Cr2 O4 Zn -","- Cr16 O32 Zn8 -","8","0.0416667","","Levy, D.; Diella, V.; Pavese, A.; Dapiaggi, M.; Sani, A.","P-V equation of state, thermal expansion, and P-T stability of synthetic zincochromite (ZnCr2O4 spinel) Sample: T = 1162 K","American Mineralogist","2005","90","","1157","1162","10.2138/am.2005.1755","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003713","8.388","","8.388","","8.388","","90","","90","","90","","590.167","","","","1236","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Zincochromite","- Cr2 O4 Zn -","- Cr2 O4 Zn -","- Cr16 O32 Zn8 -","8","0.0416667","","Levy, D.; Diella, V.; Pavese, A.; Dapiaggi, M.; Sani, A.","P-V equation of state, thermal expansion, and P-T stability of synthetic zincochromite (ZnCr2O4 spinel) Sample: T = 1236 K","American Mineralogist","2005","90","","1157","1162","10.2138/am.2005.1755","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003714","18.2872","","17.6797","","5.2784","","90","","90","","90","","1706.57","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Ferroholmquistite","- Al1.89 F0.03 Fe1.71 H1.97 K0.01 Li1.88 Mg1.47 Mn0.01 Na0.04 O23.97 Si8 -","- Al1.89 F0.03 Fe1.71 H1.97 K0.01 Li1.88 Mg1.47 Mn0.01 Na0.04 O23.97 Si8 -","- Al7.56 F0.12 Fe6.84 H7.88 K0.04 Li7.52 Mg5.88 Mn0.04 Na0.16 O95.88 Si32 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Greenbushes, W Australia","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003715","18.277","","17.65","","5.2736","","90","","90","","90","","1701.21","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.97 F0.03 Fe1.23 H1.97 Li1.98 Mg1.8 Mn0.02 Na0.03 O23.97 Si7.99 Zn0.01 -","- Al1.97 F0.03 Fe1.23 H1.97 Li1.98 Mg1.8 Mn0.02 Na0.03 O23.97 Si7.99 Zn0.01 -","- Al7.88 F0.12 Fe4.92 H7.88 Li7.92 Mg7.2 Mn0.08 Na0.12 O95.88 Si31.96 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: HS 119915 Siberia","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003716","18.277","","17.646","","5.2792","","90","","90","","90","","1702.63","","","","","","","","","","","","","10","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.98 F0.02 Fe1.2 H1.98 Li1.71 Mg1.89 Mn0.01 Na0.03 O23.98 Si7.98 -","- Al1.98 F0.02 Fe1.2 H1.98 Li1.71 Mg1.89 Mn0.01 Na0.03 O23.98 Si7.98 -","- Al7.92 F0.08 Fe4.8 H7.92 Li6.84 Mg7.56 Mn0.04 Na0.12 O95.92 Si31.92 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Siberia","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003717","18.2754","","17.6569","","5.2738","","90","","90","","90","","1701.79","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.76 F0.07 Fe1.2 H1.93 Li1.97 Mg2.01 Mn0.04 Na0.02 O23.93 Si8 Zn0.01 -","- Al1.76 F0.07 Fe1.2 H1.93 Li1.97 Mg2.01 Mn0.04 Na0.02 O23.93 Si8 Zn0.01 -","- Al7.04 F0.28 Fe4.8 H7.72 Li7.88 Mg8.04 Mn0.16 Na0.08 O95.72 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Rwanda","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003718","18.3345","","17.6955","","5.2764","","90","","90","","90","","1711.86","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.34 F0.09 Fe1.26 H1.91 Li1.98 Mg2.35 Mn0.04 Na0.05 O23.91 Si8 Zn0.01 -","- Al1.34 F0.09 Fe1.26 H1.91 Li1.98 Mg2.35 Mn0.04 Na0.05 O23.91 Si8 Zn0.01 -","- Al5.36 F0.36 Fe5.04 H7.64 Li7.92 Mg9.4 Mn0.16 Na0.2 O95.64 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Zaire","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003719","18.335","","17.693","","5.2743","","90","","90","","90","","1710.99","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.3 F0.13 Fe1.3 H1.87 Li1.93 Mg2.32 Mn0.06 Na0.1 O23.87 Si8 Zn0.01 -","- Al1.3 F0.13 Fe1.3 H1.87 Li1.93 Mg2.32 Mn0.06 Na0.1 O23.87 Si8 Zn0.01 -","- Al5.2 F0.52 Fe5.2 H7.48 Li7.72 Mg9.28 Mn0.24 Na0.4 O95.48 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Uto, Sweden","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003720","18.336","","17.693","","5.2755","","90","","90","","90","","1711.47","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.33 F0.1 Fe1.26 H1.9 Li1.93 Mg2.42 Mn0.04 Na0.05 O23.9 Si8 Zn0.01 -","- Al1.33 F0.1 Fe1.26 H1.9 Li1.93 Mg2.42 Mn0.04 Na0.05 O23.9 Si8 Zn0.01 -","- Al5.32 F0.4 Fe5.04 H7.6 Li7.72 Mg9.68 Mn0.16 Na0.2 O95.6 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Norway","American Mineralogist","2005","90","","1167","1176","10.2138/am.2005.1793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003721","18.2343","","18.2343","","7.6371","","90","","90","","120","","2199.06","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","Mazzite-Na","- H55.7 Na5.67 O47.48 Si18 -","- H22.96 Na5.67 O47.48 Si18 -","- H45.92 Na11.34 O94.96 Si36 -","2","0.0833333","","Arletti, R.; Galli, E.; Vezzalini, G.; Wise, W. S.","Mazzite-Na, a new zeolite from Boron, California: Its description and crystal structure Sample: US Borax Mine, Boron, Ca","American Mineralogist","2005","90","","1186","1191","10.2138/am.2005.1771","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003722","9.5792","","8.7588","","5.261","","90","","107.199","","90","","421.672","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.36 Mg0.81 Na0.56 O6 Si2.27 -","- Ca0.36 Mg0.81 Na0.56 O6 Si2.27 -","- Ca1.44 Mg3.24 Na2.24 O24 Si9.08 -","4","0.5","","Yang, H.; Konzett, J.","Crystal chemistry of a high-pressure C2/c clinopyroxene with six-coordinated silicon","American Mineralogist","2005","90","","1223","1226","10.2138/am.2005.1906","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003723","21.88","","21.88","","21.88","","90","","90","","90","","10474.7","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","Bornite","- Cu1.375 Fe0.275 S -","- Cu1.37496 Fe0.27505 S -","- Cu351.99 Fe70.4128 S256 -","256","1.33333","","Ding, Y.; Veblen, D. R.; Prewitt, C. T.","High-resolution transmission electron microscopy (HRTEM) study of the 4a and 6a superstructure of bornite Cu5FeS4 Sample: 4a-1 superstructure model Note: Occupancies calculated assuming complete Cu-Fe disorder","American Mineralogist","2005","90","","1256","1264","10.2138/am.2005.1517","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003724","10.7","","10.7","","10.7","","90","","90","","90","","1225.04","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","Bornite","- Cu2 Fe S2 -","- Cu2 Fe S2 -","- Cu32 Fe16 S32 -","16","0.166667","","Ding, Y.; Veblen, D. R.; Prewitt, C. T.","Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4) Sample: 2a Cu(anti) superstructure model, alternative 1","American Mineralogist","2005","90","","1265","1269","10.2138/am.2005.1518","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003725","10.7","","10.7","","10.7","","90","","90","","90","","1225.04","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","Bornite","- Cu2 Fe S2 -","- Cu2 Fe S2 -","- Cu32 Fe16 S32 -","16","0.166667","","Ding, Y.; Veblen, D. R.; Prewitt, C. T.","Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4) Sample: 2a Cu(anti) superstructure model, alternative 2","American Mineralogist","2005","90","","1265","1269","10.2138/am.2005.1518","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003726","10.71","","10.71","","10.71","","90","","90","","90","","1228.48","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","Bornite","- Cu2 Fe S2 -","- Cu2 Fe S2 -","- Cu32 Fe16 S32 -","16","0.166667","","Ding, Y.; Veblen, D. R.; Prewitt, C. T.","Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4) Sample: 2a CuFe(anti) superstructure model, alternative 1 Note: Energetically preferred model","American Mineralogist","2005","90","","1265","1269","10.2138/am.2005.1518","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003727","10.71","","10.71","","10.71","","90","","90","","90","","1228.48","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","Bornite","- Cu2 Fe S2 -","- Cu2 Fe S2 -","- Cu32 Fe16 S32 -","16","0.166667","","Ding, Y.; Veblen, D. R.; Prewitt, C. T.","Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4) Sample: 2a CuFe(anti) superstructure model, alternative 2 Note: Energetically preferred model","American Mineralogist","2005","90","","1265","1269","10.2138/am.2005.1518","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003728","14.2877","","5.7363","","5.0561","","90","","90","","90","","414.391","","","","","","","","","","","","","10","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Ca0.001 Fe0.202 Mn0.767 Nb1.91 O6 Sc0.001 Sn0.001 Ta0.08 Ti0.036 W0.002 -","- Ca0.001 Fe0.202 Mn0.767 Nb1.91 O6 Sc0.001 Sn0.001 Ta0.08 Ti0.036 W0.002 -","- Ca0.004 Fe0.808 Mn3.068 Nb7.64 O24 Sc0.004 Sn0.004 Ta0.32 Ti0.144 W0.008 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n3 Qm=1 from S. Jose de Safira, Minas Gerais, Brazil","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003729","14.3267","","5.7392","","5.0674","","90","","90","","90","","416.661","","","","","","","","","","","","","10","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Ca0.001 Fe0.462 Mn0.476 Nb1.806 O6 Sc0.045 Sn0.004 Ta0.086 Ti0.116 W0.004 -","- Ca0.001 Fe0.462 Mn0.476 Nb1.806 O6 Sc0.045 Sn0.004 Ta0.086 Ti0.116 W0.004 -","- Ca0.004 Fe1.848 Mn1.904 Nb7.224 O24 Sc0.18 Sn0.016 Ta0.344 Ti0.464 W0.016 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: AMB n3 Qm=1 from Ambatofotsikely, Madagascar","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003730","14.3434","","5.7415","","5.0665","","90","","90","","90","","417.24","","","","","","","","","","","","","9","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.001 Fe0.534 Mn0.457 Nb1.836 O6 Sn0.001 Ta0.094 Ti0.063 W0.014 -","- Ca0.001 Fe0.534 Mn0.457 Nb1.836 O6 Sn0.001 Ta0.094 Ti0.063 W0.014 -","- Ca0.004 Fe2.136 Mn1.828 Nb7.344 O24 Sn0.004 Ta0.376 Ti0.252 W0.056 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: RIO n5 Qm=1 from Rio Arriba Co., Globe Mine, U.S.A.","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003731","14.4003","","5.7501","","5.0784","","90","","90","","90","","420.508","","","","","","","","","","","","","9","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.008 Fe0.806 Mn0.148 Nb1.802 O6 Sc0.001 Sn0.003 Ta0.152 Ti0.08 -","- Ca0.008 Fe0.806 Mn0.148 Nb1.802 O6 Sc0.001 Sn0.003 Ta0.152 Ti0.08 -","- Ca0.032 Fe3.224 Mn0.592 Nb7.208 O24 Sc0.004 Sn0.012 Ta0.608 Ti0.32 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n3p Qm=1 from Kragero, Norway","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003732","14.2427","","5.729","","5.0856","","90","","90","","90","","414.967","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.263 Mn0.07 Nb0.633 O2 Ta0.034 -","- Fe0.263 Mn0.07 Nb0.633333 O2 Ta0.0336667 -","- Fe3.156 Mn0.84 Nb7.6 O24 Ta0.404 -","12","1.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.618 from S. Jose de Safira, Minas Gerais, Brazil Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003733","14.2445","","5.7265","","5.0789","","90","","90","","90","","414.292","","","","","","","","","","Annealed at T = 600 C for t = 20 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.264 Mn0.07 Nb0.633 O2 Ta0.034 -","- Fe0.263667 Mn0.0696667 Nb0.633 O2 Ta0.0336667 -","- Fe3.164 Mn0.836 Nb7.596 O24 Ta0.404 -","12","1.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.685 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 600 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003734","14.2501","","5.7263","","5.0767","","90","","90","","90","","414.26","","","","","","","","","","Annealed at T = 650 C for t = 20 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.263 Mn0.07 Nb0.633 O2 Ta0.034 -","- Fe0.263333 Mn0.0696667 Nb0.633333 O2 Ta0.0336667 -","- Fe3.16 Mn0.836 Nb7.6 O24 Ta0.404 -","12","1.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.714 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 650 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003735","14.2582","","5.729","","5.0748","","90","","90","","90","","414.536","","","","","","","","","","Annealed at T = 650 C for t = 200 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.264 Mn0.07 Nb0.633 O2 Ta0.033 -","- Fe0.263667 Mn0.0696667 Nb0.633333 O2 Ta0.0333333 -","- Fe3.164 Mn0.836 Nb7.6 O24 Ta0.4 -","12","1.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.745 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 650 C for t = 200 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003736","14.26","","5.7293","","5.0746","","90","","90","","90","","414.594","","","","","","","","","","Annealed at T = 700 C for t = 5 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.264 Mn0.07 Nb0.633 O2 Ta0.034 -","- Fe0.264 Mn0.0696667 Nb0.633333 O2 Ta0.0336667 -","- Fe3.168 Mn0.836 Nb7.6 O24 Ta0.404 -","12","1.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.752 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 700 C for t = 5 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003737","14.2658","","5.7299","","5.0748","","90","","90","","90","","414.822","","","","","","","","","","Annealed at T = 700 C for t = 20 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.79 Mn0.209 Nb1.901 O6 Ta0.1 -","- Fe0.79 Mn0.209 Nb1.901 O6 Ta0.1 -","- Fe3.16 Mn0.836 Nb7.604 O24 Ta0.4 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.759 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 700 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003738","14.2733","","5.7317","","5.0646","","90","","90","","90","","414.336","","","","","","","","","","Annealed at T = 800 C for t = 7 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.791 Mn0.209 Nb1.9 O6 Ta0.1 -","- Fe0.791 Mn0.209 Nb1.9 O6 Ta0.1 -","- Fe3.164 Mn0.836 Nb7.6 O24 Ta0.4 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.898 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 800 C for t = 7 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003739","14.2744","","5.7321","","5.0616","","90","","90","","90","","414.152","","","","","","","","","","Annealed at T = 800 C for t = 40 m","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.791 Mn0.209 Nb1.9 O6 Ta0.1 -","- Fe0.791 Mn0.209 Nb1.9 O6 Ta0.1 -","- Fe3.164 Mn0.836 Nb7.6 O24 Ta0.4 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.902 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 800 C for t = 40 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003740","14.2852","","5.7361","","5.0574","","90","","90","","90","","414.41","","","","","","","","","","Annealed at T = 950 C for t = 3 h","","","5","P b c n","-P 2n 2ab","60","","","Ferrocolumbite","- Fe0.791 Mn0.209 Nb1.898 O6 Ta0.102 -","- Fe0.791 Mn0.209 Nb1.898 O6 Ta0.102 -","- Fe3.164 Mn0.836 Nb7.592 O24 Ta0.408 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.988 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 950 C for t = 3 h Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003741","14.325","","5.744","","5.113","","90","","90","","90","","420.712","","","","","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.009 Fe0.141 Mn0.789 Nb1.775 O6 Ta0.178 Ti0.028 -","- Ca0.009 Fe0.141 Mn0.789 Nb1.775 O6 Ta0.178 Ti0.028 -","- Ca0.036 Fe0.564 Mn3.156 Nb7.1 O24 Ta0.712 Ti0.112 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.565 from Kragero, Norway Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003742","14.344","","5.739","","5.105","","90","","90","","90","","420.245","","","","","","","","","","Annealed at T = 500 C for t = 15 h","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.008 Fe0.142 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.03 -","- Ca0.008 Fe0.142 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.03 -","- Ca0.032 Fe0.568 Mn3.144 Nb7.1 O24 Ta0.712 Ti0.12 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.674 from Kragero, Norway Sample: Annealed at T = 500 C for t = 15 h Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003743","14.334","","5.737","","5.096","","90","","90","","90","","419.065","","","","","","","","","","Annealed at T = 530 C for t = 92 h","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.008 Fe0.14 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.032 -","- Ca0.008 Fe0.14 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.032 -","- Ca0.032 Fe0.56 Mn3.144 Nb7.1 O24 Ta0.712 Ti0.128 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.742 from Kragero, Norway Sample: Annealed at T = 530 C for t = 92 h Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003744","14.352","","5.74","","5.093","","90","","90","","90","","419.564","","","","","","","","","","Annealed at T = 600 C for t = 67 h","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.008 Fe0.141 Mn0.785 Nb1.775 O6 Ta0.178 Ti0.032 -","- Ca0.008 Fe0.141 Mn0.785 Nb1.775 O6 Ta0.178 Ti0.032 -","- Ca0.032 Fe0.564 Mn3.14 Nb7.1 O24 Ta0.712 Ti0.128 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.817 from Kragero, Norway Sample: Annealed at T = 600 C for t = 67 h Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003745","14.352","","5.74","","5.09","","90","","90","","90","","419.317","","","","","","","","","","Annealed at T = 600 C for t = 177 h","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.009 Fe0.14 Mn0.785 Nb1.775 O6 Ta0.177 Ti0.032 -","- Ca0.009 Fe0.14 Mn0.785 Nb1.775 O6 Ta0.177 Ti0.032 -","- Ca0.036 Fe0.56 Mn3.14 Nb7.1 O24 Ta0.708 Ti0.128 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.844 from Kragero, Norway Sample: Annealed at T = 600 C for t = 177 h Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003746","14.38","","5.745","","5.088","","90","","90","","90","","420.335","","","","","","","","","","Annealed at T = 700 C for t = 20 m","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.009 Fe0.141 Mn0.783 Nb1.775 O6 Ta0.178 Ti0.032 -","- Ca0.009 Fe0.141 Mn0.783 Nb1.775 O6 Ta0.178 Ti0.032 -","- Ca0.036 Fe0.564 Mn3.132 Nb7.1 O24 Ta0.712 Ti0.128 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.922 from Kragero, Norway Sample: Annealed at T = 700 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003747","14.38","","5.75","","5.084","","90","","90","","90","","420.371","","","","","","","","","","Annealed at T = 800 C for t = 15 m","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.009 Fe0.14 Mn0.783 Nb1.774 O6 Ta0.179 Ti0.033 -","- Ca0.009 Fe0.14 Mn0.783 Nb1.774 O6 Ta0.179 Ti0.033 -","- Ca0.036 Fe0.56 Mn3.132 Nb7.096 O24 Ta0.716 Ti0.132 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.960 from Kragero, Norway Sample: Annealed at T = 800 C for t = 15 m Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003748","14.395","","5.753","","5.083","","90","","90","","90","","420.946","","","","","","","","","","Annealed at T = 800 C for t = 24 h","","","7","P b c n","-P 2n 2ab","60","","","Manganocolumbite","- Ca0.01 Fe0.14 Mn0.782 Nb1.778 O6 Ta0.178 Ti0.034 -","- Ca0.01 Fe0.14 Mn0.782 Nb1.778 O6 Ta0.178 Ti0.034 -","- Ca0.04 Fe0.56 Mn3.128 Nb7.112 O24 Ta0.712 Ti0.136 -","4","0.5","","Tarantino S C; Zema M","Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=1 from Kragero, Norway Sample: Annealed at T = 800 C for t = 24 h Note: Occupancies calculated assuming complete Fe/Mn disorder","American Mineralogist","2005","90","","1291","1300","10.2138/am.2005.1641","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003749","4.729","","4.729","","13.559","","90","","90","","120","","262.601","","","","","","","","100","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg6 O18 Si6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 0.0001 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003750","4.707","","4.707","","13.474","","90","","90","","120","","258.533","","","","","","","","2500000","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg6 O18 Si6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 2.5 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003751","4.697","","4.697","","13.408","","90","","90","","120","","256.174","","","","","","","","5700000","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg6 O18 Si6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 5.7 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003752","4.688","","4.688","","13.354","","90","","90","","120","","254.166","","","","","","","","7800000","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg6 O18 Si6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 7.8 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003753","4.9375","","4.9375","","13.743","","90","","90","","120","","290.153","","","","","","","","100","","","","","3","R -3 :H","-R 3","148","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge6 Mg6 O18 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 0.0001 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003754","4.923","","4.923","","13.687","","90","","90","","120","","287.275","","","","","","","","1800000","","","","","3","R -3 :H","-R 3","148","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge6 Mg6 O18 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 1.8 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003755","4.907","","4.907","","13.605","","90","","90","","120","","283.701","","","","","","","","4700000","","","","","3","R -3 :H","-R 3","148","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge6 Mg6 O18 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 4.7 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003756","4.88","","4.88","","13.502","","90","","90","","120","","278.464","","","","","","","","8100000","","","","","3","R -3 :H","-R 3","148","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge6 Mg6 O18 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 8.1 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003757","4.871","","4.871","","13.458","","90","","90","","120","","276.533","","","","","","","","9300000","","","","","3","R -3 :H","-R 3","148","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge6 Mg6 O18 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 9.3 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003758","5.054","","5.054","","13.898","","90","","90","","120","","307.435","","","","","","","","100","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Ti -","- Mg O3 Ti -","- Mg6 O18 Ti6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 0.0001 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003759","5.028","","5.028","","13.79","","90","","90","","120","","301.916","","","","","","","","3100000","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Ti -","- Mg O3 Ti -","- Mg6 O18 Ti6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 3.1 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003760","5.006","","5.006","","13.689","","90","","90","","120","","297.087","","","","","","","","5800000","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Ti -","- Mg O3 Ti -","- Mg6 O18 Ti6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 5.8 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003761","4.992","","4.992","","13.609","","90","","90","","120","","293.701","","","","","","","","8100000","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Ti -","- Mg O3 Ti -","- Mg6 O18 Ti6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 8.1 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003762","7.158","","8.885","","6.649","","90","","113.834","","90","","386.806","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge O5 Ti -","- Ca Ge O5 Ti -","- Ca4 Ge4 O20 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: Single crystal CaTiOGeO4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003763","7.14287","","8.8782","","6.64268","","90","","113.833","","90","","385.33","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.901 O5 Si0.098 Ti -","- Ca Ge0.901 O5 Si0.098 Ti -","- Ca4 Ge3.604 O20 Si0.392 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #95, CaTiO(Ge.90Si.10)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003764","7.1346","","8.87346","","6.63886","","90","","113.738","","90","","384.738","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.871 O5 Si0.128 Ti -","- Ca Ge0.871 O5 Si0.128 Ti -","- Ca4 Ge3.484 O20 Si0.512 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #90, CaTiO(Ge.87Si.13)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003765","7.11815","","8.83215","","6.61777","","90","","113.767","","90","","380.765","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.678 O5 Si0.321 Ti -","- Ca Ge0.678 O5 Si0.321 Ti -","- Ca4 Ge2.712 O20 Si1.284 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #70, CaTiO(Ge.68Si.32)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003766","7.09534","","8.79173","","6.5962","","90","","113.757","","90","","376.606","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.49 O5 Si0.51 Ti -","- Ca Ge0.49 O5 Si0.51 Ti -","- Ca4 Ge1.96 O20 Si2.04 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #50, CaTiO(Ge.49Si.51)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003767","7.09137","","8.78567","","6.59344","","90","","113.766","","90","","375.952","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.336 O5 Si0.663 Ti -","- Ca Ge0.336 O5 Si0.663 Ti -","- Ca4 Ge1.344 O20 Si2.652 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #30, CaTiO(Ge.34Si.66)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003768","7.07182","","8.74371","","6.57304","","90","","113.782","","90","","371.925","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.2 O5 Si0.799 Ti -","- Ca Ge0.2 O5 Si0.799 Ti -","- Ca4 Ge0.8 O20 Si3.196 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #20, CaTiO(Ge.20Si.80)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003769","7.06582","","8.73056","","6.56626","","90","","113.782","","90","","370.668","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca Ge0.096 O5 Si0.903 Ti -","- Ca Ge0.096 O5 Si0.903 Ti -","- Ca4 Ge0.384 O20 Si3.612 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #10, CaTiO(Ge.10Si.90)O4","American Mineralogist","2005","90","","1325","1334","10.2138/am.2005.1729","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003770","10.355","","10.751","","8.873","","105.757","","96.227","","124.861","","735.302","","","","","","","","","","","","","12","P -1","-P 1","2","","","Makarochkinite","- Al0.54 Be0.9 Ca1.69 Fe5.19 Mg0.25 Mn0.1 Na0.21 Nb0.04 O20 Si4.49 Ta0.01 Ti0.59 -","- Al0.54 Be0.9 Ca1.69 Fe5.19 Mg0.25 Mn0.1 Na0.21 Nb0.04 O20 Si4.49 Ta0.01 Ti0.59 -","- Al1.08 Be1.8 Ca3.38 Fe10.38 Mg0.5 Mn0.2 Na0.42 Nb0.08 O40 Si8.98 Ta0.02 Ti1.18 -","2","1","","Grew, E. S.; Barbier, J.; Britten, J.; Yates, M. G.; Polyakov, V. O.; Shcherbakova, E. P.; Halenius, U.; Shearer, C. K.","Makarochkinite, Ca2Fe2+4Fe3+TiSi4BeAlO20, a new beryllosilicate member of the aenigmatite-sapphirine-surinamite group from the Il'men Mountains (southern Urals), Russia Sample: 400shch6","American Mineralogist","2005","90","","1402","1412","10.2138/am.2005.1759","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003771","10.373","","10.768","","8.878","","105.794","","96.183","","124.934","","737.315","","","","","","","","","","","","","12","P -1","-P 1","2","","","Makarochkinite","- Al0.48 Be Ca1.77 Fe5.145 Mg0.225 Mn0.04 Na0.19 Nb0.07 O20 Si4.52 Sn0.02 Ti0.54 -","- Al0.48 Be Ca1.77 Fe5.145 Mg0.225 Mn0.04 Na0.19 Nb0.07 O20 Si4.52 Sn0.02 Ti0.54 -","- Al0.96 Be2 Ca3.54 Fe10.29 Mg0.45 Mn0.08 Na0.38 Nb0.14 O40 Si9.04 Sn0.04 Ti1.08 -","2","1","","Grew, E. S.; Barbier, J.; Britten, J.; Yates, M. G.; Polyakov, V. O.; Shcherbakova, E. P.; Halenius, U.; Shearer, C. K.","Makarochkinite, Ca2Fe2+4Fe3+TiSi4BeAlO20, a new beryllosilicate member of the aenigmatite-sapphirine-surinamite group from the Il'men Mountains (southern Urals), Russia Sample: 3319","American Mineralogist","2005","90","","1402","1412","10.2138/am.2005.1759","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003772","10.322","","10.729","","8.8624","","105.802","","96.185","","124.758","","731.673","","","","","","","","","","","","","10","P -1","-P 1","2","","","Hogtuvaite","- Al0.38 Be1.06 Ca1.71 Fe5.61 Mg0.12 Na0.29 O20 Si4.56 Sn0.03 Ti0.24 -","- Al0.38 Be1.06 Ca1.71 Fe5.61 Mg0.12 Na0.29 O20 Si4.56 Sn0.03 Ti0.24 -","- Al0.76 Be2.12 Ca3.42 Fe11.22 Mg0.24 Na0.58 O40 Si9.12 Sn0.06 Ti0.48 -","2","1","","Grew, E. S.; Barbier, J.; Britten, J.; Yates, M. G.; Polyakov, V. O.; Shcherbakova, E. P.; Halenius, U.; Shearer, C. K.","Makarochkinite, Ca2Fe2+4Fe3+TiSi4BeAlO20, a new beryllosilicate member of the aenigmatite-sapphirine-surinamite group from the Il'men Mountains (southern Urals), Russia Sample: N86","American Mineralogist","2005","90","","1402","1412","10.2138/am.2005.1759","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003773","8.32016","","8.32016","","8.32016","","90","","90","","90","","575.964","","","","640","","","","6000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 640 K, P = 6 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003774","8.32711","","8.32711","","8.32711","","90","","90","","90","","577.408","","","","740","","","","6000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 740 K, P = 6 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003775","8.33588","","8.33588","","8.33588","","90","","90","","90","","579.234","","","","885","","","","6000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 885 K, P = 6 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003776","8.34613","","8.34613","","8.34613","","90","","90","","90","","581.374","","","","1020","","","","6000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1020 K, P = 6 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003777","8.3549","","8.3549","","8.3549","","90","","90","","90","","583.208","","","","1150","","","","6000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1150 K, P = 6 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003778","8.34531","","8.34531","","8.34531","","90","","90","","90","","581.202","","","","970","","","","6000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 970 K, P = 6 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003779","8.3363","","8.3363","","8.3363","","90","","90","","90","","579.322","","","","860","","","","6000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 860 K, P = 6 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003780","8.32646","","8.32646","","8.32646","","90","","90","","90","","577.273","","","","700","","","","6000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 700 K, P = 6 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003781","8.33637","","8.33637","","8.33637","","90","","90","","90","","579.337","","","","675","","","","5000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 675 K, P = 5 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003782","8.34432","","8.34432","","8.34432","","90","","90","","90","","580.996","","","","770","","","","5000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 770 K, P = 5 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003783","8.3546","","8.3546","","8.3546","","90","","90","","90","","583.146","","","","920","","","","5000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 920 K, P = 5 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003784","8.36537","","8.36537","","8.36537","","90","","90","","90","","585.404","","","","1070","","","","5000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1070 K, P = 5 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003785","8.37304","","8.37304","","8.37304","","90","","90","","90","","587.015","","","","1130","","","","5000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1130 K, P = 5 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003786","8.37303","","8.37303","","8.37303","","90","","90","","90","","587.013","","","","1010","","","","5000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1010 K, P = 5 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003787","8.35489","","8.35489","","8.35489","","90","","90","","90","","583.206","","","","870","","","","5000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 870 K, P = 5 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003788","8.33319","","8.33319","","8.33319","","90","","90","","90","","578.674","","","","620","","","","5000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 620 K, P = 5 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003789","8.36741","","8.36741","","8.36741","","90","","90","","90","","585.832","","","","730","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 730 K, P = 3 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003790","8.37647","","8.37647","","8.37647","","90","","90","","90","","587.737","","","","815","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 815 K, P = 3 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003791","8.38915","","8.38915","","8.38915","","90","","90","","90","","590.41","","","","960","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 960 K, P = 3 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003792","8.40123","","8.40123","","8.40123","","90","","90","","90","","592.964","","","","1045","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1045 K, P = 3 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003793","8.41012","","8.41012","","8.41012","","90","","90","","90","","594.849","","","","1090","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1090 K, P = 3 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003794","8.41455","","8.41455","","8.41455","","90","","90","","90","","595.789","","","","1110","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1110 K, P = 3 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003795","8.42331","","8.42331","","8.42331","","90","","90","","90","","597.652","","","","1220","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1220 K, P = 3 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003796","8.4344","","8.4344","","8.4344","","90","","90","","90","","600.016","","","","1310","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1310 K, P = 3 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003797","8.44786","","8.44786","","8.44786","","90","","90","","90","","602.893","","","","1430","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1430 K, P = 3 GPa during heating","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003798","8.44044","","8.44044","","8.44044","","90","","90","","90","","601.306","","","","1320","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1320 K, P = 3 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003799","8.43331","","8.43331","","8.43331","","90","","90","","90","","599.783","","","","1210","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1210 K, P = 3 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003800","8.42484","","8.42484","","8.42484","","90","","90","","90","","597.978","","","","1130","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1130 K, P = 3 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003801","8.41798","","8.41798","","8.41798","","90","","90","","90","","596.518","","","","1070","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1070 K, P = 3 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003802","8.41033","","8.41033","","8.41033","","90","","90","","90","","594.893","","","","1030","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 1030 K, P = 3 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003803","8.39887","","8.39887","","8.39887","","90","","90","","90","","592.465","","","","890","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 890 K, P = 3 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003804","8.38636","","8.38636","","8.38636","","90","","90","","90","","589.821","","","","560","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Antao, S. M.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Effects of high pressure and high temperature on cation ordering in magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder diffraction up to 1430 K and 6 GPa Sample: T = 560 K, P = 3 GPa during cooling","American Mineralogist","2005","90","","1500","1505","10.2138/am.2005.1797","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003805","5.2768","","5.4213","","7.5548","","90","","90","","90","","216.121","","","","298.15","","","","4000000","","","","","3","P b n m","-P 2c 2ab","62","","","Neighborite","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Chen, J.; Liu, H.; Martin, C. D.; Parise, J. B.; Weidner, D. J.","Crystal chemistry of NaMgF3 perovskite and high pressure and temperature Sample: P = 4 GPa, T = 25 C","American Mineralogist","2005","90","","1534","1539","10.2138/am.2005.1708","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003806","5.3047","","5.4282","","7.5864","","90","","90","","90","","218.45","","","","473.15","","","","4000000","","","","","3","P b n m","-P 2c 2ab","62","","","Neighborite","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Chen, J.; Liu, H.; Martin, C. D.; Parise, J. B.; Weidner, D. J.","Crystal chemistry of NaMgF3 perovskite and high pressure and temperature Sample: P = 4 GPa, T = 200 C","American Mineralogist","2005","90","","1534","1539","10.2138/am.2005.1708","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003807","5.335","","5.4352","","7.6227","","90","","90","","90","","221.034","","","","673.15","","","","4000000","","","","","3","P b n m","-P 2c 2ab","62","","","Neighborite","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Chen, J.; Liu, H.; Martin, C. D.; Parise, J. B.; Weidner, D. J.","Crystal chemistry of NaMgF3 perovskite and high pressure and temperature Sample: P = 4 GPa, T = 400 C","American Mineralogist","2005","90","","1534","1539","10.2138/am.2005.1708","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003808","5.3678","","5.444","","7.6587","","90","","90","","90","","223.805","","","","873.15","","","","4000000","","","","","3","P b n m","-P 2c 2ab","62","","","Neighborite","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Chen, J.; Liu, H.; Martin, C. D.; Parise, J. B.; Weidner, D. J.","Crystal chemistry of NaMgF3 perovskite and high pressure and temperature Sample: P = 4 GPa, T = 600 C","American Mineralogist","2005","90","","1534","1539","10.2138/am.2005.1708","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003809","5.3915","","5.4532","","7.6831","","90","","90","","90","","225.89","","","","973.15","","","","4000000","","","","","3","P b n m","-P 2c 2ab","62","","","Neighborite","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Chen, J.; Liu, H.; Martin, C. D.; Parise, J. B.; Weidner, D. J.","Crystal chemistry of NaMgF3 perovskite and high pressure and temperature Sample: P = 4 GPa, T = 700 C","American Mineralogist","2005","90","","1534","1539","10.2138/am.2005.1708","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003810","5.4162","","5.4629","","7.7092","","90","","90","","90","","228.101","","","","1073.15","","","","4000000","","","","","3","P b n m","-P 2c 2ab","62","","","Neighborite","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Chen, J.; Liu, H.; Martin, C. D.; Parise, J. B.; Weidner, D. J.","Crystal chemistry of NaMgF3 perovskite and high pressure and temperature Sample: P = 4 GPa, T = 800 C","American Mineralogist","2005","90","","1534","1539","10.2138/am.2005.1708","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003811","5.448","","5.4677","","7.7366","","90","","90","","90","","230.458","","","","1173.15","","","","4000000","","","","","3","P b n m","-P 2c 2ab","62","","","Neighborite","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Chen, J.; Liu, H.; Martin, C. D.; Parise, J. B.; Weidner, D. J.","Crystal chemistry of NaMgF3 perovskite and high pressure and temperature Sample: P = 4 GPa, T = 900 C","American Mineralogist","2005","90","","1534","1539","10.2138/am.2005.1708","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003812","3.876","","3.876","","3.876","","90","","90","","90","","58.231","","","","1273.15","","","","4000000","","","","","3","P m -3 m","-P 4 2 3","221","","","Neighborite","- F3 Mg Na -","- F3 Mg Na -","- F3 Mg Na -","1","0.0208333","","Chen, J.; Liu, H.; Martin, C. D.; Parise, J. B.; Weidner, D. J.","Crystal chemistry of NaMgF3 perovskite and high pressure and temperature Sample: P = 4 GPa, T = 1000 C, high-T polymorph","American Mineralogist","2005","90","","1534","1539","10.2138/am.2005.1708","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003813","8.391","","17.346","","8.221","","90","","119.33","","90","","1043.18","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Bazhenovite","- Ca2 H9.2 O8 S2.19 -","- Ca2 H9.2 O8 S2.19 -","- Ca8 H36.8 O32 S8.76 -","4","1","","Bindi, L.; Bonazzi, P.; Dei, L.; Zoppi, A.","Does the bazhenovite structure really contain a thiosulfate group? A structural and spectroscopic study of a sample from the type locality Sample: Chelyabinsk coal basin, South Urals, Russia","American Mineralogist","2005","90","","1556","1562","10.2138/am.2005.1781","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003814","9.104","","20.792","","11.577","","90","","90.5","","90","","2191.33","","","","298.15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Leadhillite","- C2 H2 O12 Pb4 S -","- C2 O12 Pb4 S -","- C16 O96 Pb32 S8 -","8","2","","Bindi, L.; Menchetti, S.","Structural changes accompanying the phase transformation between leadhillite and susannite: a structural study by means of in situ high-temperature single- crystal X-ray diffraction Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran Sample: T = 25C","American Mineralogist","2005","90","","1641","1647","10.2138/am.2005.1808","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003815","9.077","","9.077","","11.611","","90","","90","","120","","828.486","","","","355.15","","","","","","","","","4","P 3","P 3","143","","","Susannite","- C2 O12 Pb4 S -","- C2 O12 Pb4 S -","- C6 O36 Pb12 S3 -","3","1","","Bindi, L.; Menchetti, S.","Structural changes accompanying the phase transformation between leadhillite and susannite: a structural study by means of in situ high-temperature single- crystal X-ray diffraction Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran Sample: T = 82C","American Mineralogist","2005","90","","1641","1647","10.2138/am.2005.1808","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003816","7.601","","7.601","","9.219","","90","","90","","120","","461.271","","","","","","","","","","","","","9","P -3","-P 3","147","","","Zoltaiite","- Al0.018 Ba Cr0.336 Fe0.48 Mg0.03 O27 Si2 Ti1.31 V11.748 -","- Al0.018 Ba Cr0.336 Fe0.48 Mg0.03 O27 Si2 Ti1.31 V11.748 -","- Al0.018 Ba Cr0.336 Fe0.48 Mg0.03 O27 Si2 Ti1.31 V11.748 -","1","0.166667","","Bartholomew, P. R.; Mancini, F.; Cahill, C. L.; Harlow, G. E.; Bernhardt, H. J.","Zoltaiite, a new barium-vanadium nesosubsilicate mineral from British Columbia: Description and crystal structure Sample: Wigwam Pb-Zn deposit, southeast of Revelstoke, British Columbia, Canada","American Mineralogist","2005","90","","1655","1660","10.2138/am.2005.1602","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003817","15.8232","","15.8232","","7.096","","90","","90","","120","","1538.62","","","","","","","","","","","","Elba, Italy","11","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.665 B3.09 Ca0.125 F0.51 Fe0.042 H3.637 Li1.248 Mn0.045 Na0.558 O30.49 Si5.91 -","- Al7.665 B3.09 Ca0.125 F0.51 Fe0.042 H3.637 Li1.248 Mn0.045 Na0.558 O30.49 Si5.91 -","- Al22.995 B9.27 Ca0.375 F1.53 Fe0.126 H10.911 Li3.744 Mn0.135 Na1.674 O91.47 Si17.73 -","3","0.166667","","Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E.","Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Elb2rim","American Mineralogist","2005","90","","1661","1668","10.2138/am.2005.1852","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9003818","15.9055","","15.9055","","7.127","","90","","90","","120","","1561.46","","","","","","","","","","","","Elba, Italy","13","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.23 B3.006 Ca0.021 F0.648 H3.352 K0.008 Li0.849 Mn0.897 Na0.786 O30.352 Si5.976 Ti0.033 Zn0.009 -","- Al7.23 B3.006 Ca0.021 F0.648 H3.352 K0.008 Li0.849 Mn0.897 Na0.786 O30.352 Si5.976 Ti0.033 Zn0.009 -","- Al21.69 B9.018 Ca0.063 F1.944 H10.056 K0.024 Li2.547 Mn2.691 Na2.358 O91.056 Si17.928 Ti0.099 Zn0.027 -","3","0.166667","","Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E.","Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2y","American Mineralogist","2005","90","","1661","1668","10.2138/am.2005.1852","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:45",""
"9003819","15.9137","","15.9137","","7.1302","","90","","90","","120","","1563.78","","","","","","","","","","","","Elba, Italy","13","R 3 m :H","R 3 -2""","160","","","Mn-foitite","- Al7.251 B3.024 Ca0.025 F0.525 H3.388 K0.004 Li0.78 Mn0.978 Na0.776 O30.475 Si5.922 Ti0.033 Zn0.012 -","- Al7.251 B3.024 Ca0.025 F0.525 H3.388 K0.004 Li0.78 Mn0.978 Na0.776 O30.475 Si5.922 Ti0.033 Zn0.012 -","- Al21.753 B9.072 Ca0.075 F1.575 H10.164 K0.012 Li2.34 Mn2.934 Na2.328 O91.425 Si17.766 Ti0.099 Zn0.036 -","3","0.166667","","Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E.","Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2z","American Mineralogist","2005","90","","1661","1668","10.2138/am.2005.1852","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:48",""
"9003820","15.9243","","15.9243","","7.1323","","90","","90","","120","","1566.32","","","","","","","","","","","","Elba, Italy","12","R 3 m :H","R 3 -2""","160","","","Mn-foitite","- Al7.269 B3 Ca0.029 F0.538 H3.393 K0.009 Li0.711 Mn1.074 Na0.758 O30.462 Si5.904 Ti0.042 -","- Al7.269 B3 Ca0.029 F0.538 H3.393 K0.009 Li0.711 Mn1.074 Na0.758 O30.462 Si5.904 Ti0.042 -","- Al21.807 B9 Ca0.087 F1.614 H10.179 K0.027 Li2.133 Mn3.222 Na2.274 O91.386 Si17.712 Ti0.126 -","3","0.166667","","Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E.","Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2w","American Mineralogist","2005","90","","1661","1668","10.2138/am.2005.1852","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:49",""
"9003821","15.9303","","15.9303","","7.1341","","90","","90","","120","","1567.9","","","","","","","","","","","","Elba, Italy","12","R 3 m :H","R 3 -2""","160","","","Mn-foitite","- Al7.305 B3 Ca0.022 F0.429 H3.382 K0.003 Li0.573 Mn1.161 Na0.737 O30.571 Si5.922 Ti0.039 -","- Al7.305 B3 Ca0.022 F0.429 H3.382 K0.003 Li0.573 Mn1.161 Na0.737 O30.571 Si5.922 Ti0.039 -","- Al21.915 B9 Ca0.066 F1.287 H10.146 K0.009 Li1.719 Mn3.483 Na2.211 O91.713 Si17.766 Ti0.117 -","3","0.166667","","Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E.","Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: sl2x","American Mineralogist","2005","90","","1661","1668","10.2138/am.2005.1852","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9003822","15.9398","","15.9398","","7.1363","","90","","90","","120","","1570.25","","","","","","","","","","","","Elba, Italy","12","R 3 m :H","R 3 -2""","160","","","Mn-foitite","- Al7.233 B3 Ca0.025 F0.388 H3.252 K0.004 Li0.444 Mn1.299 Na0.686 O30.612 Si5.982 Ti0.042 -","- Al7.233 B3 Ca0.025 F0.388 H3.252 K0.004 Li0.444 Mn1.299 Na0.686 O30.612 Si5.982 Ti0.042 -","- Al21.699 B9 Ca0.075 F1.164 H9.756 K0.012 Li1.332 Mn3.897 Na2.058 O91.836 Si17.946 Ti0.126 -","3","0.166667","","Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E.","Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2m","American Mineralogist","2005","90","","1661","1668","10.2138/am.2005.1852","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9003823","15.9461","","15.9461","","7.138","","90","","90","","120","","1571.87","","","","","","","","","","","","Elba, Italy","12","R 3 m :H","R 3 -2""","160","","","Mn-foitite","- Al7.278 B3 Ca0.016 F0.409 H3.392 K0.007 Li0.447 Mn1.311 Na0.673 O30.591 Si5.922 Ti0.042 -","- Al7.278 B3 Ca0.016 F0.409 H3.392 K0.007 Li0.447 Mn1.311 Na0.673 O30.591 Si5.922 Ti0.042 -","- Al21.834 B9 Ca0.048 F1.227 H10.176 K0.021 Li1.341 Mn3.933 Na2.019 O91.773 Si17.766 Ti0.126 -","3","0.166667","","Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E.","Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2g","American Mineralogist","2005","90","","1661","1668","10.2138/am.2005.1852","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9003824","12.331","","12.331","","12.331","","90","","90","","90","","1874.97","","","","","","","","","","","","","12","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.42 Ca2.97 Cr0.152 Fe1.025 Hf0.008 Mg0.124 O12 Sc0.154 Si1.899 Ti0.654 V0.004 Zr0.584 -","- Al0.42 Ca2.97 Cr0.152 Fe1.025 Hf0.008 Mg0.124 O12 Sc0.154 Si1.899 Ti0.654 V0.004 Zr0.584 -","- Al3.36 Ca23.76 Cr1.216 Fe8.2 Hf0.064 Mg0.992 O96 Sc1.232 Si15.192 Ti5.232 V0.032 Zr4.672 -","8","0.0833333","","Galuskina, I. O.; Galuskin, E. V.; Dzierzanowski, P.; Armbruster, T.; Kozanecki, M.","A natural scandian garnet","American Mineralogist","2005","90","","1688","1692","10.2138/am.2005.1981","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003825","15.8318","","15.8318","","7.0998","","90","","90","","120","","1541.12","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","10","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.606 B3 Ca0.018 F0.319 H3.762 Li1.363 Mn0.031 Na0.549 O30.681 Si6 -","- Al7.6059 B3 Ca0.018 F0.319 H3.762 Li1.3629 Mn0.0309 Na0.549 O30.681 Si6 -","- Al22.8177 B9 Ca0.054 F0.957 H11.286 Li4.0887 Mn0.0927 Na1.647 O92.043 Si18 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: 66c","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9003826","15.8343","","15.8343","","7.1007","","90","","90","","120","","1541.81","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","11","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.587 B3 Ca0.04 F0.381 H3.632 K0.009 Li1.385 Mn0.029 Na0.515 O30.619 Si6 -","- Al7.587 B3 Ca0.04 F0.381 H3.6319 K0.009 Li1.3851 Mn0.0291 Na0.515 O30.619 Si6 -","- Al22.761 B9 Ca0.12 F1.143 H10.8957 K0.027 Li4.1553 Mn0.0873 Na1.545 O91.857 Si18 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: 61Rda","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9003827","15.8468","","15.8468","","7.1058","","90","","90","","120","","1545.35","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","10","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.514 B3.044 F0.626 Fe0.194 H3.573 Li1.25 Mn0.043 Na0.674 O30.374 Si5.956 -","- Al7.5141 B3.0438 F0.626 Fe0.1941 H3.5729 Li1.2501 Mn0.0429 Na0.674 O30.374 Si5.9562 -","- Al22.5423 B9.1314 F1.878 Fe0.5823 H10.7187 Li3.7503 Mn0.1287 Na2.022 O91.122 Si17.8686 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: 60fc","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003828","15.8528","","15.8528","","7.1083","","90","","90","","120","","1547.06","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","11","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.459 B3.034 F0.503 Fe0.121 H3.713 Li1.282 Mg0.125 Mn0.096 Na0.625 O30.497 Si5.966 -","- Al7.4559 B3.0342 F0.503 Fe0.1209 H3.713 Li1.2819 Mg0.1251 Mn0.096 Na0.625 O30.497 Si5.9658 -","- Al22.3677 B9.1026 F1.509 Fe0.3627 H11.139 Li3.8457 Mg0.3753 Mn0.288 Na1.875 O91.491 Si17.8974 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: 62ha","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003829","15.8801","","15.8801","","7.1169","","90","","90","","120","","1554.28","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","12","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.356 B3.004 Ca0.032 F0.516 Fe0.106 H6.484 K0.005 Li1.107 Mn0.43 Na0.661 O33.484 Si6 -","- Al7.3557 B3.0042 Ca0.032 F0.516 Fe0.1059 H6.484 K0.005 Li1.107 Mn0.4302 Na0.661 O33.484 Si5.9958 -","- Al22.0671 B9.0126 Ca0.096 F1.548 Fe0.3177 H19.452 K0.015 Li3.321 Mn1.2906 Na1.983 O100.452 Si17.9874 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: 64gh","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003830","15.901","","15.901","","7.1238","","90","","90","","120","","1559.88","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","13","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.082 B3.014 F0.754 Fe0.795 H3.332 K0.005 Li0.927 Mg0.106 Mn0.072 Na0.841 O30.246 Si5.969 Ti0.035 -","- Al7.0818 B3.0138 F0.754 Fe0.795 H3.3321 K0.005 Li0.927 Mg0.1059 Mn0.072 Na0.841 O30.246 Si5.9688 Ti0.0351 -","- Al21.2454 B9.0414 F2.262 Fe2.385 H9.9963 K0.015 Li2.781 Mg0.3177 Mn0.216 Na2.523 O90.738 Si17.9064 Ti0.1053 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: L4e","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9003831","15.9285","","15.9285","","7.1286","","90","","90","","120","","1566.33","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","14","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.208 B3.026 Ca0.049 F0.542 Fe0.962 H3.355 K0.008 Li0.649 Mn0.149 Na0.823 O30.458 Si5.871 Ti0.015 Zn0.15 -","- Al7.2084 B3.0258 Ca0.049 F0.542 Fe0.9618 H3.355 K0.008 Li0.6489 Mn0.1491 Na0.823 O30.458 Si5.871 Ti0.015 Zn0.15 -","- Al21.6252 B9.0774 Ca0.147 F1.626 Fe2.8854 H10.065 K0.024 Li1.9467 Mn0.4473 Na2.469 O91.374 Si17.613 Ti0.045 Zn0.45 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: 61Vbh","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003832","15.9569","","15.9569","","7.1369","","90","","90","","120","","1573.76","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","14","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.045 B3 F0.433 Fe1.438 H3.346 K0.007 Li0.299 Mg0.017 Mn0.191 Na0.649 O30.567 Si5.893 Ti0.009 Zn0.108 -","- Al7.0449 B3 F0.433 Fe1.4382 H3.346 K0.007 Li0.2991 Mg0.0171 Mn0.1911 Na0.649 O30.567 Si5.8932 Ti0.009 Zn0.108 -","- Al21.1347 B9 F1.299 Fe4.3146 H10.038 K0.021 Li0.8973 Mg0.0513 Mn0.5733 Na1.947 O91.701 Si17.6796 Ti0.027 Zn0.324 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: L4c","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003833","15.9784","","15.9784","","7.1495","","90","","90","","120","","1580.79","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","15","R 3 m :H","R 3 -2""","160","","","Schorl","- Al6.933 B3 Ca0.036 F0.235 Fe1.908 H3.303 K0.008 Li0.121 Mg0.06 Mn0.098 Na0.602 O30.765 Si5.834 Ti0.027 Zn0.047 -","- Al6.9333 B3 Ca0.036 F0.235 Fe1.9077 H3.303 K0.008 Li0.1209 Mg0.06 Mn0.0981 Na0.602 O30.765 Si5.8338 Ti0.027 Zn0.0471 -","- Al20.7999 B9 Ca0.108 F0.705 Fe5.7231 H9.909 K0.024 Li0.3627 Mg0.18 Mn0.2943 Na1.806 O92.295 Si17.5014 Ti0.081 Zn0.1413 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: L3h","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003834","15.9658","","15.9658","","7.1487","","90","","90","","120","","1578.12","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","15","R 3 m :H","R 3 -2""","160","","","Schorl","- Al6.898 B3 Ca0.009 F0.295 Fe1.774 H3.363 K0.009 Li0.172 Mg0.012 Mn0.124 Na0.632 O30.705 Si5.929 Ti0.023 Zn0.067 -","- Al6.8985 B3 Ca0.009 F0.295 Fe1.7742 H3.363 K0.009 Li0.1719 Mg0.012 Mn0.1239 Na0.632 O30.705 Si5.9292 Ti0.0231 Zn0.0669 -","- Al20.6955 B9 Ca0.027 F0.885 Fe5.3226 H10.089 K0.027 Li0.5157 Mg0.036 Mn0.3717 Na1.896 O92.115 Si17.7876 Ti0.0693 Zn0.2007 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: L4b","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003835","15.9768","","15.9768","","7.1534","","90","","90","","120","","1581.33","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","14","R 3 m :H","R 3 -2""","160","","","Schorl","- Al6.904 B3 Ca0.022 F0.201 Fe1.982 H3.347 K0.007 Mg0.137 Mn0.043 Na0.556 O30.799 Si5.883 Ti0.019 Zn0.033 -","- Al6.9039 B3 Ca0.022 F0.201 Fe1.9815 H3.347 K0.007 Mg0.1371 Mn0.0429 Na0.556 O30.799 Si5.883 Ti0.0189 Zn0.033 -","- Al20.7117 B9 Ca0.066 F0.603 Fe5.9445 H10.041 K0.021 Mg0.4113 Mn0.1287 Na1.668 O92.397 Si17.649 Ti0.0567 Zn0.099 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: L4d","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003836","15.9825","","15.9825","","7.1596","","90","","90","","120","","1583.83","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","15","R 3 m :H","R 3 -2""","160","","","Schorl","- Al6.757 B3 Ca0.048 F0.201 Fe2.03 H3.367 K0.01 Li0.04 Mg0.251 Mn0.032 Na0.647 O30.799 Si5.831 Ti0.032 Zn0.026 -","- Al6.7569 B3 Ca0.048 F0.201 Fe2.0298 H3.367 K0.01 Li0.0399 Mg0.2508 Mn0.0321 Na0.647 O30.799 Si5.8308 Ti0.0321 Zn0.0261 -","- Al20.2707 B9 Ca0.144 F0.603 Fe6.0894 H10.101 K0.03 Li0.1197 Mg0.7524 Mn0.0963 Na1.941 O92.397 Si17.4924 Ti0.0963 Zn0.0783 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: L1v","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003837","15.9842","","15.9842","","7.1581","","90","","90","","120","","1583.84","","","","","","","","","","","","Cruziero pegmatite, Minas Gerais, Brazil","15","R 3 m :H","R 3 -2""","160","","","Schorl","- Al6.705 B3 Ca0.071 F0.249 Fe2.014 H3.321 K0.007 Li0.05 Mg0.296 Mn0.036 Na0.629 O30.751 Si5.832 Ti0.034 Zn0.031 -","- Al6.7053 B3 Ca0.071 F0.249 Fe2.0145 H3.321 K0.007 Li0.0501 Mg0.2961 Mn0.036 Na0.629 O30.751 Si5.832 Ti0.0339 Zn0.0309 -","- Al20.1159 B9 Ca0.213 F0.747 Fe6.0435 H9.963 K0.021 Li0.1503 Mg0.8883 Mn0.108 Na1.887 O92.253 Si17.496 Ti0.1017 Zn0.0927 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S.","Crystal chemistry of the elbaite-schorl series Sample: L1z","American Mineralogist","2005","90","","1784","1792","10.2138/am.2005.1827","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003838","9.7071","","8.9435","","5.2481","","90","","108.483","","90","","432.114","","","","","","","","","","","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.847 Mg0.92 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1912 Fe0.8469 Mg0.9201 Mn0.0286 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7648 Fe3.3876 Mg3.6804 Mn0.1144 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, untreated","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003839","9.7093","","8.9417","","5.2479","","90","","108.507","","90","","432.048","","","","","","","","","","annealed at T = 700 C for t = 10 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.192 Fe0.844 Mg0.922 Mn0.028 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1915 Fe0.8444 Mg0.9224 Mn0.0284 Na0.0031 O6 Si1.984 Ti0.0102 -","- Al0.064 Ca0.766 Fe3.3776 Mg3.6896 Mn0.1136 Na0.0124 O24 Si7.936 Ti0.0408 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 700 C for t = 10 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003840","9.7057","","8.9396","","5.2453","","90","","108.478","","90","","431.646","","","","","","","","","","annealed at T = 700 C for t = 20 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.848 Mg0.919 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1913 Fe0.8479 Mg0.9189 Mn0.0289 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7652 Fe3.3916 Mg3.6756 Mn0.1156 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 700 C for t = 20 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003841","9.7118","","8.9442","","5.2484","","90","","108.496","","90","","432.349","","","","","","","","","","annealed at T = 700 C for t = 30 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.85 Mg0.916 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1912 Fe0.8504 Mg0.9164 Mn0.0291 Na0.0029 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.7648 Fe3.4016 Mg3.6656 Mn0.1164 Na0.0116 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 700 C for t = 30 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003842","9.7114","","8.9473","","5.2513","","90","","108.475","","90","","432.773","","","","","","","","","","annealed at T = 700 C for t = 50 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.847 Mg0.919 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1913 Fe0.8475 Mg0.9193 Mn0.0287 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7652 Fe3.39 Mg3.6772 Mn0.1148 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 700 C for t = 50 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003843","9.7087","","8.9405","","5.2468","","90","","108.496","","90","","431.901","","","","","","","","","","annealed at T = 700 C for t = 90 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.847 Mg0.92 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1913 Fe0.8469 Mg0.92 Mn0.0287 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7652 Fe3.3876 Mg3.68 Mn0.1148 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 700 C for t = 90 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003844","9.7104","","8.9417","","5.2476","","90","","108.479","","90","","432.143","","","","","","","","","","annealed at T = 700 C for t = 180 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.851 Mg0.917 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1907 Fe0.8506 Mg0.9169 Mn0.0288 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.7628 Fe3.4024 Mg3.6676 Mn0.1152 Na0.012 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 700 C for t = 180 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003845","9.712","","8.9434","","5.2492","","90","","108.479","","90","","432.428","","","","","","","","","","annealed at T = 700 C for t = 300 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.85 Mg0.917 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1909 Fe0.8498 Mg0.9173 Mn0.0289 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.7636 Fe3.3992 Mg3.6692 Mn0.1156 Na0.012 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 700 C for t = 300 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003846","9.7132","","8.9469","","5.25","","90","","108.484","","90","","432.704","","","","","","","","","","annealed at T = 700 C for t = 600 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.848 Mg0.919 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1913 Fe0.8482 Mg0.9185 Mn0.0288 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7652 Fe3.3928 Mg3.674 Mn0.1152 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 700 C for t = 600 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003847","9.7096","","8.9421","","5.2464","","90","","108.476","","90","","432.036","","","","","","","","","","annealed at T = 700 C for t = 1000 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.85 Mg0.917 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.191 Fe0.8499 Mg0.9171 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.764 Fe3.3996 Mg3.6684 Mn0.116 Na0.012 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 700 C for t = 1000 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003848","9.7069","","8.9427","","5.247","","90","","108.458","","90","","432.039","","","","","","","","","","annealed at T = 800 C for t = 1.5 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.192 Fe0.847 Mg0.919 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1915 Fe0.8474 Mg0.919 Mn0.0288 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.766 Fe3.3896 Mg3.676 Mn0.1152 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 800 C for t = 1.5 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003849","9.7088","","8.9429","","5.2473","","90","","108.471","","90","","432.126","","","","","","","","","","annealed at T = 800 C for t = 3.5 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.851 Mg0.916 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.191 Fe0.8507 Mg0.9163 Mn0.029 Na0.0029 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.764 Fe3.4028 Mg3.6652 Mn0.116 Na0.0116 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 800 C for t = 3.5 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003850","9.7094","","8.9457","","5.2478","","90","","108.468","","90","","432.336","","","","","","","","","","annealed at T = 800 C for t = 6 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.852 Mg0.915 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1909 Fe0.852 Mg0.915 Mn0.0292 Na0.0029 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.7636 Fe3.408 Mg3.66 Mn0.1168 Na0.0116 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 800 C for t = 6 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003851","9.7113","","8.9455","","5.2504","","90","","108.478","","90","","432.6","","","","","","","","","","annealed at T = 800 C for t = 10 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.85 Mg0.918 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1909 Fe0.8495 Mg0.9176 Mn0.0289 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.7636 Fe3.398 Mg3.6704 Mn0.1156 Na0.012 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 800 C for t = 10 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003852","9.7134","","8.9482","","5.2485","","90","","108.463","","90","","432.706","","","","","","","","","","annealed at T = 800 C for t = 18 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.851 Mg0.916 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1908 Fe0.851 Mg0.9161 Mn0.0291 Na0.0029 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.7632 Fe3.404 Mg3.6644 Mn0.1164 Na0.0116 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.35, annealed at T = 800 C for t = 18 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003853","9.7075","","8.9444","","5.2461","","90","","108.485","","90","","432.006","","","","","","","","","","annealed at T = 800 C for t = 60 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.847 Mg0.92 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1909 Fe0.8473 Mg0.92 Mn0.0286 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7636 Fe3.3892 Mg3.68 Mn0.1144 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 800 C for t = 60 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003854","9.706","","8.94","","5.246","","90","","108.504","","90","","431.671","","","","","","","","","","","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.848 Mg0.919 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1911 Fe0.8479 Mg0.9192 Mn0.0287 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7644 Fe3.3916 Mg3.6768 Mn0.1148 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, untreated","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003855","9.7096","","8.9413","","5.2473","","90","","108.515","","90","","431.973","","","","","","","","","","annealed at T = 650 C for t = 80 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.19 Fe0.852 Mg0.915 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1905 Fe0.8524 Mg0.9151 Mn0.0291 Na0.0029 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.762 Fe3.4096 Mg3.6604 Mn0.1164 Na0.0116 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 650 C for t = 80 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003856","9.7084","","8.9414","","5.2476","","90","","108.505","","90","","431.974","","","","","","","","","","annealed at T = 650 C for t = 120 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.851 Mg0.916 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1909 Fe0.8508 Mg0.9163 Mn0.029 Na0.0029 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.7636 Fe3.4032 Mg3.6652 Mn0.116 Na0.0116 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 650 C for t = 120 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003857","9.7086","","8.9421","","5.2473","","90","","108.503","","90","","431.997","","","","","","","","","","annealed at T = 650 C for t = 240 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.849 Mg0.918 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1907 Fe0.8489 Mg0.9184 Mn0.0287 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7628 Fe3.3956 Mg3.6736 Mn0.1148 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 650 C for t = 240 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003858","9.7074","","8.9415","","5.2468","","90","","108.485","","90","","431.919","","","","","","","","","","annealed at T = 650 C for t = 360 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.849 Mg0.918 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.191 Fe0.849 Mg0.9181 Mn0.0288 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.764 Fe3.396 Mg3.6724 Mn0.1152 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 650 C for t = 360 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003859","9.7083","","8.9419","","5.2481","","90","","108.496","","90","","432.058","","","","","","","","","","annealed at T = 650 C for t = 840 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.848 Mg0.919 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1908 Fe0.848 Mg0.9193 Mn0.0287 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7632 Fe3.392 Mg3.6772 Mn0.1148 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 650 C for t = 840 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003860","9.705","","8.9419","","5.2454","","90","","108.485","","90","","431.716","","","","","","","","","","annealed at T = 650 C for t = 1680 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.85 Mg0.917 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1907 Fe0.8504 Mg0.917 Mn0.0289 Na0.0029 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.7628 Fe3.4016 Mg3.668 Mn0.1156 Na0.0116 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 650 C for t = 1680 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003861","9.7096","","8.9413","","5.247","","90","","108.499","","90","","431.989","","","","","","","","","","annealed at T = 650 C for t = 3120 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.848 Mg0.919 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1909 Fe0.8479 Mg0.9193 Mn0.0287 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7636 Fe3.3916 Mg3.6772 Mn0.1148 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 650 C for t = 3120 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003862","9.7079","","8.9442","","5.2463","","90","","108.485","","90","","432.031","","","","","","","","","","annealed at T = 650 C for t = 7440 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.849 Mg0.918 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1908 Fe0.8489 Mg0.9184 Mn0.0288 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7632 Fe3.3956 Mg3.6736 Mn0.1152 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 650 C for t = 7440 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003863","9.7071","","8.9425","","5.2463","","90","","108.484","","90","","431.915","","","","","","","","","","annealed at T = 750 C for t = 9 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.851 Mg0.916 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1908 Fe0.8507 Mg0.9164 Mn0.0289 Na0.0029 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.7632 Fe3.4028 Mg3.6656 Mn0.1156 Na0.0116 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 750 C for t = 9 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003864","9.71","","8.9425","","5.247","","90","","108.495","","90","","432.074","","","","","","","","","","annealed at T = 750 C for t = 15 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.847 Mg0.919 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1914 Fe0.8474 Mg0.9193 Mn0.0287 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7656 Fe3.3896 Mg3.6772 Mn0.1148 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 750 C for t = 15 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003865","9.7086","","8.9436","","5.2464","","90","","108.491","","90","","432.026","","","","","","","","","","annealed at T = 750 C for t = 25 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.849 Mg0.919 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1909 Fe0.8485 Mg0.9187 Mn0.0288 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.7636 Fe3.394 Mg3.6748 Mn0.1152 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 750 C for t = 25 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003866","9.71","","8.9462","","5.248","","90","","108.494","","90","","432.338","","","","","","","","","","annealed at T = 750 C for t = 50 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.85 Mg0.918 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.191 Fe0.8495 Mg0.9176 Mn0.0289 Na0.003 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.764 Fe3.398 Mg3.6704 Mn0.1156 Na0.012 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 750 C for t = 50 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003867","9.7103","","8.9444","","5.249","","90","","108.468","","90","","432.412","","","","","","","","","","annealed at T = 750 C for t = 100 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.851 Mg0.915 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.1912 Fe0.8513 Mg0.9154 Mn0.0292 Na0.0029 O6 Si1.984 Ti0.01 -","- Al0.064 Ca0.7648 Fe3.4052 Mg3.6616 Mn0.1168 Na0.0116 O24 Si7.936 Ti0.04 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 750 C for t = 100 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003868","9.7109","","8.9437","","5.2477","","90","","108.469","","90","","432.296","","","","","","","","","","annealed at T = 750 C for t = 250 min","","Parana, Brazil","9","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Al0.016 Ca0.191 Fe0.85 Mg0.917 Mn0.029 Na0.003 O6 Si1.984 Ti0.01 -","- Al0.016 Ca0.191 Fe0.8502 Mg0.9168 Mn0.029 Na0.0029 O6 Si1.984 Ti0.0101 -","- Al0.064 Ca0.764 Fe3.4008 Mg3.6672 Mn0.116 Na0.0116 O24 Si7.936 Ti0.0404 -","4","1","","Domeneghetti, M. C.; Zema, M.; Tazzoli, V.","Kinetics of Fe2±Mg order-disorder in P2_1/c pigeonite Sample: N.13, annealed at T = 750 C for t = 250 min","American Mineralogist","2005","90","","1816","1823","10.2138/am.2005.1773","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004905","5.0873","","5.8233","","9.402","","99.78","","97.253","","97.202","","269.201","","","","","","","","","","","","","3","P -1","-P 1","2","","","Cu2V2O7","- Cu2 O7 V2 -","- Cu2 O7 V2 -","- Cu4 O14 V4 -","2","1","","Krivovichev, S. V.; Filatov, S. K.; Cherepansky, P. N.; Armbruster, T.; Pankratova, O. Y.","The crystal structure of gamma-Cu2V2O7 and its comparison to blossite (alpha-Cu2V2O7) and ziesite (beta-Cu2V2O7)","The Canadian Mineralogist","2005","43","","671","677","10.2113/gscanmin.43.2.671","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004906","10.1756","","10.1756","","10.1756","","90","","90","","90","","1053.61","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","Tennantite","- As3.92 Cu12.54 S13 Sb0.08 -","- As3.92 Cu12.54 S13 Sb0.08 -","- As7.84 Cu25.08 S26 Sb0.16 -","2","0.0416667","","Makovicky, E.; Karanovic, L.; Poleti, D.; Balic-Zunic T; Paar, W. H.","Crystal structure of copper-rich unsubstituted tennantite, Cu12.5As4S13 Sample: Cerro Atajo, Catamarco, Argentina","The Canadian Mineralogist","2005","43","","679","688","10.2113/gscanmin.43.2.679","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004907","6.3181","","6.3181","","6.3181","","90","","90","","90","","252.208","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","Milotaite","- Pd Sb Se -","- Pd Sb Se -","- Pd4 Sb4 Se4 -","4","0.333333","","Paar, W. H.; Topa, D.; Makovicky, E.; Culetto, F. J.","Milotaite, PdSbSe, a new palladium mineral species from Predborice, Czech Republic Sample: synthetic analog to milotaite","The Canadian Mineralogist","2005","43","","689","694","10.2113/gscanmin.43.2.689","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004908","11.762","","14.081","","14.323","","90","","90","","90","","2372.19","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Mo2 O10 U -","- Cs2 Mo2 O10 U -","- Cs16 Mo16 O80 U8 -","8","1","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of the uranyl molybdates. XI. Crystal structures of Cs2[(UO2)(MoO4)2] and Cs2[(UO2)(MoO4)2](H2O)","The Canadian Mineralogist","2005","43","","713","720","10.2113/gscanmin.43.2.713","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004909","8.222","","11.0993","","13.9992","","90","","95.155","","90","","1272.38","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs2 H2 Mo2 O11 U -","- Cs2 H2 Mo2 O11 U -","- Cs8 H8 Mo8 O44 U4 -","4","1","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of the uranyl molybdates. XI. Crystal structures of Cs2[(UO2)(MoO4)2] and Cs2[(UO2)(MoO4)2](H2O)","The Canadian Mineralogist","2005","43","","713","720","10.2113/gscanmin.43.2.713","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004910","14.042","","21.008","","6.997","","90","","90","","90","","2064.07","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H22 O23 P2 Sr0.795 U2 -","- H22 O23 P2 Sr0.795 U2 -","- H88 O92 P8 Sr3.18 U8 -","4","0.5","","Locock, A. J.; Burns, P. C.; Flynn, T. M.","Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet Sample: SrUP11","The Canadian Mineralogist","2005","43","","721","733","10.2113/gscanmin.43.2.721","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004911","7.154","","7.101","","18.901","","90","","92.67","","90","","959.139","","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- As2 H16 O20 Sr U2 -","- As2 H16 O20 Sr U2 -","- As4 H32 O40 Sr2 U4 -","2","0.5","","Locock, A. J.; Burns, P. C.; Flynn, T. M.","Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet Sample: SrUAs8","The Canadian Mineralogist","2005","43","","721","733","10.2113/gscanmin.43.2.721","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004912","14.3778","","20.9611","","7.1703","","90","","90","","90","","2160.95","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- As2 H22 O23 Sr0.84 U2 -","- As2 H22 O23 Sr0.84 U2 -","- As8 H88 O92 Sr3.36 U8 -","4","0.5","","Locock, A. J.; Burns, P. C.; Flynn, T. M.","Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet Sample: SrUAs11","The Canadian Mineralogist","2005","43","","721","733","10.2113/gscanmin.43.2.721","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004913","7.1548","","7.134","","21.29","","90","","104.171","","90","","1053.62","","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","Heinrichite","- As2 Ba H20 O22 U2 -","- As2 Ba H20 O22 U2 -","- As4 Ba2 H40 O44 U4 -","2","0.5","","Locock, A. J.; Burns, P. C.; Flynn, T. M.","Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet","The Canadian Mineralogist","2005","43","","721","733","10.2113/gscanmin.43.2.721","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004914","6.943","","17.634","","6.952","","90","","90.023","","90","","851.153","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","Meta-uranocircite I","- Ba H14 O19 P2 U2 -","- Ba H14 O19 P2 U2 -","- Ba2 H28 O38 P4 U4 -","2","1","","Locock A J; Burns P C; Flynn T M","Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet","The Canadian Mineralogist","2005","43","","721","733","10.2113/gscanmin.43.2.721","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004915","9.882","","16.868","","9.789","","90","","90.52","","90","","1631.66","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Meta-uranocircite II","- Ba H14 O18 P2 U2 -","- Ba H14 O18 P2 U2 -","- Ba4 H56 O72 P8 U8 -","4","1","","Locock A J; Burns P C; Flynn T M","Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet","The Canadian Mineralogist","2005","43","","721","733","10.2113/gscanmin.43.2.721","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004916","9.4456","","9.4456","","6.952","","90","","90","","120","","537.155","","","","","","","","","","","","","10","P 63","P 6c","173","","","Fluorcaphite","- Ca2.45 Ce0.22 F0.958 H0.042 La0.134 Na0.585 Nd0.02 O12.042 P3 Sr1.591 -","- Ca2.45 Ce0.22 F0.958 H0.042 La0.134 Na0.585 Nd0.02 O12.042 P3 Sr1.591 -","- Ca4.9 Ce0.44 F1.916 H0.084 La0.268 Na1.17 Nd0.04 O24.084 P6 Sr3.182 -","2","0.333333","","Chakhmouradian, A. R.; Hughes, J. M.; Rakovan, J. F.","Fluorcaphite, a second occurrence and detailed structural analysis: Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement Sample: Mt. Selsurt, Lovozero, Russia","The Canadian Mineralogist","2005","43","","735","746","10.2113/gscanmin.43.2.735","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004917","9.4853","","9.4853","","6.9862","","90","","90","","120","","544.344","","","","","","","","","","","","","11","P 63","P 6c","173","","","Fluorcaphite","- Ca3.295 Ce0.185 F0.749 H0.251 La0.175 Na0.195 Nd0.066 O12.251 P3 Pr0.04 Sr1.044 -","- Ca3.295 Ce0.185 F0.749 H0.251 La0.175 Na0.195 Nd0.066 O12.251 P3 Pr0.04 Sr1.044 -","- Ca6.59 Ce0.37 F1.498 H0.502 La0.35 Na0.39 Nd0.132 O24.502 P6 Pr0.08 Sr2.088 -","2","0.333333","","Chakhmouradian, A. R.; Hughes, J. M.; Rakovan, J. F.","Fluorcaphite, a second occurrence and detailed structural analysis: Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement Sample: Mt. Koashva, Khibina complex, Kola Peninsula, northwestern Russia","The Canadian Mineralogist","2005","43","","735","746","10.2113/gscanmin.43.2.735","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9004918","19.72","","19.72","","9.9788","","90","","90","","120","","3360.65","","","","","","","","","","","","Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada","7","P -3 c 1","-P 3 2""c","165","","","Bobtraillite","- B3 H18 Na6.462 O78 Si21 Sr5.496 Zr7 -","- B3 H18 Na6.462 O78 Si21 Sr5.496 Zr7 -","- B6 H36 Na12.924 O156 Si42 Sr10.992 Zr14 -","2","0.166667","","McDonald, A. M.; Chao, G. Y.","Bobtraillite, (Na,Ca)13Sr11(Zr,Y,Nb)14Si42B6O132(OH)12*12H2O, a new mineral species from mont Saint-Hilaire, Quebec: description, structure determination and relationship to benitoite and wadeite","The Canadian Mineralogist","2005","43","","747","758","10.2113/gscanmin.43.2.747","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004919","7.9845","","7.6969","","13.9432","","90","","90.081","","90","","856.891","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B Na O4 Si -","- B Na O4 Si -","- B12 Na12 O48 Si12 -","12","3","","Graetsch, H. A.; Schreyer, W.","Rietveld refinement of synthetic monoclinic NaBSiO4","The Canadian Mineralogist","2005","43","","759","767","10.2113/gscanmin.43.2.759","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004920","7.1136","","8.7724","","6.5987","","90","","113.581","","90","","377.395","","","","","","","","","","","","Khibina, Russia","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti0.76 Zr0.24 -","- Ca O5 Si Ti0.76 Zr0.24 -","- Ca4 O20 Si4 Ti3.04 Zr0.96 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite from Khibina, Russia, and crystal-structure data for synthetic analogues","The Canadian Mineralogist","2005","43","","795","812","10.2113/gscanmin.43.2.795","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004921","7.1276","","8.7541","","6.6031","","90","","113.847","","90","","376.832","","","","","","","","","","","","Khibina, Russia","7","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca0.85 Na0.14 Nb0.15 O5 Si Ti0.7 Zr0.15 -","- Ca0.85 Na0.14 Nb0.15 O5 Si Ti0.7 Zr0.15 -","- Ca3.4 Na0.56 Nb0.6 O20 Si4 Ti2.8 Zr0.6 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite from Khibina, Russia, and crystal-structure data for synthetic analogues","The Canadian Mineralogist","2005","43","","795","812","10.2113/gscanmin.43.2.795","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004922","43.113","","4.0591","","37.874","","90","","117.35","","90","","5887.06","","","","","","","","","","","","Buca Della Vena mine, Apuan Alps","6","C 1 2/m 1","-C 2y","12","","","Rouxelite","- Cu2 Hg O1.34 Pb22.612 S64.66 Sb27.388 -","- Cu2 Hg O1.34 Pb22.612 S64.66 Sb27.388 -","- Cu4 Hg2 O2.68 Pb45.224 S129.32 Sb54.776 -","2","0.25","","Orlandi, P.; Meerschaut, A.; Moelo, Y.; Palvadeau, P.; Leone, P.","Lead-antimony sulfosalts from Tuscany (Italy). VIII. Rouxelite, Cu2HgPb22Sb28S64(O,S)2, A new sulfosalt from Buca Della Vena mine, Apuan Alps: definition and crystal structure Locality: Buca Della Vena mine, Apuan Alps","The Canadian Mineralogist","2005","43","","919","933","10.2113/gscanmin.43.3.919","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004923","30.02","","7.0084","","7.0492","","90","","90","","90","","1483.1","","","","","","","","","","","","Venachat, Haute-Vienne, France","4","P n n 2","P 2 -2n","34","","","Uranospathite","- Al0.86 O33 P2 U2 -","- Al0.86 O33 P2 U2 -","- Al1.72 O66 P4 U4 -","2","0.5","","Locock, A. J.; Kinman, W. S.; Burns, P. C.","The structure and composition of uranospathite, Al1-xVacancyx[(UO2)(PO4)]2(H2O)20+3xF1-3x, x = 0 - 0.33, a non-centrosymmetric flourine-bearing mineral of the autunite group, and of a related synthetic lower hydrate, Al0.67Vacancy0.33[(UO2)(PO4)]2(H2O)15.5","The Canadian Mineralogist","2005","43","","989","1003","10.2113/gscanmin.43.3.989","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004924","7.002","","13.712","","14.0243","","78.418","","89.676","","81.863","","1305.44","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Al0.67 O27.5 P2 U2 -","- Al0.67 O27.5 P2 U2 -","- Al1.34 O55 P4 U4 -","2","1","","Locock, A. J.; Kinman, W. S.; Burns, P. C.","The structure and composition of uranospathite, Al1-xVacancyx[(UO2)(PO4)]2(H2O)20+3xF1-3x, x = 0 - 0.33, a non-centrosymmetric flourine-bearing mineral of the autunite group, and of a related synthetic lower hydrate, Al0.67Vacancy0.33[(UO2)(PO4)]2(H2O)15.5 Sample: AlUP","The Canadian Mineralogist","2005","43","","989","1003","10.2113/gscanmin.43.3.989","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004925","12.8171","","14.4576","","12.8008","","90","","101.327","","90","","2325.84","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Strontioginorite","- B14 Ca H16 O31 Sr -","- B14 Ca H16 O31 Sr -","- B56 Ca4 H64 O124 Sr4 -","4","1","","Grice, J. D.","Strontioginorite: crystal-structure analysis and hydrogen bonding Sample: Penobsquis, Kings County, New Brunswick, Canada","The Canadian Mineralogist","2005","43","","1019","1026","10.2113/gscanmin.43.3.1019","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9004926","13.025","","8.8514","","5.8486","","90","","90.167","","90","","674.279","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Manganilvaite","- Ca0.903 Fe2.497 H Mn0.6 O9 Si2 -","- Ca0.903 Fe2.497 H Mn0.6 O9 Si2 -","- Ca3.612 Fe9.988 H4 Mn2.4 O36 Si8 -","4","1","","Zotov, N.; Kockelmann, W.; Jacobsen, S. D.; Mitov, I.; Paneva, D.; Vassileva, R. D.; Bonev, I. K.","Structure and cation order in manganilvaite: a combined X-ray-diffraction, neutron-diffraction and mossbauer study Sample: Ossikovo Pb-Zn skarn, Rhodope Mountains, Bulgaria Sample: powder X-ray + neutron analysis","The Canadian Mineralogist","2005","43","","1043","1053","10.2113/gscanmin.43.3.1043","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004927","13.015","","8.843","","5.8396","","90","","90.11","","90","","672.088","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Manganilvaite","- Ca Fe2.44 H Mn0.56 O9 Si2 -","- Ca Fe2.44 H Mn0.56 O9 Si2 -","- Ca4 Fe9.76 H4 Mn2.24 O36 Si8 -","4","1","","Zotov, N.; Kockelmann, W.; Jacobsen, S. D.; Mitov, I.; Paneva, D.; Vassileva, R. D.; Bonev, I. K.","Structure and cation order in manganilvaite: a combined X-ray-diffraction, neutron-diffraction and mossbauer study Sample: Ossikovo Pb-Zn skarn, Rhodope Mountains, Bulgaria Sample: single crystal X-ray analysis","The Canadian Mineralogist","2005","43","","1043","1053","10.2113/gscanmin.43.3.1043","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004928","4.814","","4.814","","16.0411","","90","","90","","120","","321.941","","","","","","","","","","","","Lea County, New Mexico, USA","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca1.08 Mg0.92 O6 -","- C2 Ca1.08 Mg0.92 O6 -","- C6 Ca3.24 Mg2.76 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: M236-116, Phase I","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004929","4.8274","","4.8274","","16.1374","","90","","90","","120","","325.68","","","","","","","","","","","","Lea County, New Mexico, USA","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca1.17 Mg0.83 O6 -","- C2 Ca1.17 Mg0.83 O6 -","- C6 Ca3.51 Mg2.49 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: M236-116, Phase II","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004930","4.8141","","4.8141","","16.0392","","90","","90","","120","","321.917","","","","","","","","","","","","Lea County, New Mexico, USA","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca1.07 Mg0.93 O6 -","- C2 Ca1.07 Mg0.93 O6 -","- C6 Ca3.21 Mg2.79 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: M236-098, Phase I","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004931","4.8247","","4.8247","","16.1243","","90","","90","","120","","325.051","","","","","","","","","","","","Lea County, New Mexico, USA","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca1.13 Mg0.87 O6 -","- C2 Ca1.13 Mg0.87 O6 -","- C6 Ca3.39 Mg2.61 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: M236-098, Phase II","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","288653","2024-01-03","17:00:04",""
"9004932","4.8114","","4.8114","","16.025","","90","","90","","120","","321.271","","","","","","","","","","","","Coke County, Texas, USA","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca1.07 Mg0.93 O6 -","- C2 Ca1.07 Mg0.93 O6 -","- C6 Ca3.21 Mg2.79 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: 821-545, Phase I","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004933","4.8215","","4.8215","","16.111","","90","","90","","120","","324.353","","","","","","","","","","","","Coke County, Texas, USA","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca1.14 Mg0.86 O6 -","- C2 Ca1.14 Mg0.86 O6 -","- C6 Ca3.42 Mg2.58 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: 821-545, Phase II","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004934","4.817","","4.817","","16.0794","","90","","90","","120","","323.113","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Fe0.33 Mg0.67 O6 -","- C2 Ca Fe0.33 Mg0.67 O6 -","- C6 Ca3 Fe0.99 Mg2.01 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: ""Ankerite""","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004935","8.2837","","8.2837","","8.2837","","90","","90","","90","","568.425","","","","","","","","","","","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.723 Cr1.125 Fe0.687 Mg0.444 Ni0.002 O4 Ti0.014 Zn0.005 -","- Al0.723 Cr1.125 Fe0.687 Mg0.444 Ni0.002 O4 Ti0.014 Zn0.005 -","- Al5.784 Cr9 Fe5.496 Mg3.552 Ni0.016 O32 Ti0.112 Zn0.04 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: CL 1","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004936","8.2905","","8.2905","","8.2905","","90","","90","","90","","569.826","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.683 Cr1.087 Fe0.681 Mg0.511 Ni0.003 O4 Si0.002 Ti0.028 Zn0.005 -","- Al0.683 Cr1.087 Fe0.681 Mg0.511 Ni0.003 O4 Si0.002 Ti0.028 Zn0.005 -","- Al5.464 Cr8.696 Fe5.448 Mg4.088 Ni0.024 O32 Si0.016 Ti0.224 Zn0.04 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: BG 17","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004937","8.2339","","8.2339","","8.2339","","90","","90","","90","","558.235","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.988 Cr0.833 Fe0.469 Mg0.684 Mn0.005 Ni0.003 O4 Si0.003 Ti0.015 -","- Al0.988 Cr0.833 Fe0.469 Mg0.684 Mn0.005 Ni0.003 O4 Si0.003 Ti0.015 -","- Al7.904 Cr6.664 Fe3.752 Mg5.472 Mn0.04 Ni0.024 O32 Si0.024 Ti0.12 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: BG 17A","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004938","8.2367","","8.2367","","8.2367","","90","","90","","90","","558.804","","","","","","","","","","","","","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Al0.973 Cr0.973 Fe0.449 Mg0.588 Mn0.006 Ni0.001 O4 Si0.001 Ti0.003 Zn0.006 -","- Al0.973 Cr0.973 Fe0.449 Mg0.588 Mn0.006 Ni0.001 O4 Si0.001 Ti0.003 Zn0.006 -","- Al7.784 Cr7.784 Fe3.592 Mg4.704 Mn0.048 Ni0.008 O32 Si0.008 Ti0.024 Zn0.048 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: BG 17B","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004939","8.3232","","8.3232","","8.3232","","90","","90","","90","","576.595","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.492 Cr1.133 Fe0.78 Mg0.499 Ni0.007 O4 Si0.001 Ti0.082 Zn0.005 -","- Al0.492 Cr1.133 Fe0.78 Mg0.499 Ni0.007 O4 Si0.001 Ti0.082 Zn0.005 -","- Al3.936 Cr9.064 Fe6.24 Mg3.992 Ni0.056 O32 Si0.008 Ti0.656 Zn0.04 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: BG 23","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004940","8.1947","","8.1947","","8.1947","","90","","90","","90","","550.3","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.254 Cr0.641 Fe0.347 Mg0.746 Ni0.003 O4 Si0.003 Ti0.005 Zn0.001 -","- Al1.254 Cr0.641 Fe0.347 Mg0.746 Ni0.003 O4 Si0.003 Ti0.005 Zn0.001 -","- Al10.032 Cr5.128 Fe2.776 Mg5.968 Ni0.024 O32 Si0.024 Ti0.04 Zn0.008 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: BG 24","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004941","8.2892","","8.2892","","8.2892","","90","","90","","90","","569.558","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Al0.628 Cr1.149 Fe0.649 Mg0.543 Ni0.003 O4 Si0.001 Ti0.023 Zn0.004 -","- Al0.628 Cr1.149 Fe0.649 Mg0.543 Ni0.003 O4 Si0.001 Ti0.023 Zn0.004 -","- Al5.024 Cr9.192 Fe5.192 Mg4.344 Ni0.024 O32 Si0.008 Ti0.184 Zn0.032 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: BG 26","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004942","8.2134","","8.2134","","8.2134","","90","","90","","90","","554.075","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.146 Cr0.731 Fe0.424 Mg0.679 Ni0.006 O4 Si0.004 Ti0.011 Zn0.001 -","- Al1.146 Cr0.731 Fe0.424 Mg0.679 Ni0.006 O4 Si0.004 Ti0.011 Zn0.001 -","- Al9.168 Cr5.848 Fe3.392 Mg5.432 Ni0.048 O32 Si0.032 Ti0.088 Zn0.008 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: VI_DOL","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004943","8.2453","","8.2453","","8.2453","","90","","90","","90","","560.556","","","","","","","","","","","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Al0.944 Cr0.916 Fe0.472 Mg0.647 Ni0.003 O4 Ti0.015 Zn0.003 -","- Al0.944 Cr0.916 Fe0.472 Mg0.647 Ni0.003 O4 Ti0.015 Zn0.003 -","- Al7.552 Cr7.328 Fe3.776 Mg5.176 Ni0.024 O32 Ti0.12 Zn0.024 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: BK 30","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004944","8.2701","","8.2701","","8.2701","","90","","90","","90","","565.63","","","","","","","","","","","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Al0.715 Cr1.202 Fe0.504 Mg0.568 Ni0.003 O4 Ti0.005 Zn0.003 -","- Al0.715 Cr1.202 Fe0.504 Mg0.568 Ni0.003 O4 Ti0.005 Zn0.003 -","- Al5.72 Cr9.616 Fe4.032 Mg4.544 Ni0.024 O32 Ti0.04 Zn0.024 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: BK 35","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004945","8.1904","","8.1904","","8.1904","","90","","90","","90","","549.434","","","","","","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.264 Cr0.652 Fe0.346 Mg0.722 Ni0.005 O4 Ti0.011 -","- Al1.264 Cr0.652 Fe0.346 Mg0.722 Ni0.005 O4 Ti0.011 -","- Al10.112 Cr5.216 Fe2.768 Mg5.776 Ni0.04 O32 Ti0.088 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: BK 36","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004946","8.1256","","8.1256","","8.1256","","90","","90","","90","","536.496","","","","","","","","","","","","","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.791 Cr0.18 Fe0.238 Mg0.775 Mn0.002 Ni0.008 O4 Si0.001 Ti0.002 Zn0.003 -","- Al1.791 Cr0.18 Fe0.238 Mg0.775 Mn0.002 Ni0.008 O4 Si0.001 Ti0.002 Zn0.003 -","- Al14.328 Cr1.44 Fe1.904 Mg6.2 Mn0.016 Ni0.064 O32 Si0.008 Ti0.016 Zn0.024 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: IB_PICO1","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004947","8.1513","","8.1513","","8.1513","","90","","90","","90","","541.602","","","","","","","","","","","","","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.587 Cr0.381 Fe0.263 Mg0.755 Mn0.003 Ni0.005 O4 Si0.001 Ti0.001 Zn0.004 -","- Al1.587 Cr0.381 Fe0.263 Mg0.755 Mn0.003 Ni0.005 O4 Si0.001 Ti0.001 Zn0.004 -","- Al12.696 Cr3.048 Fe2.104 Mg6.04 Mn0.024 Ni0.04 O32 Si0.008 Ti0.008 Zn0.032 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: IB_PICO2","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004948","8.2977","","8.2977","","8.2977","","90","","90","","90","","571.312","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Al0.928 Cr1.019 Fe0.448 Mg0.597 Ni0.002 O4 Si0.001 Ti0.001 Zn0.004 -","- Al0.928 Cr1.019 Fe0.448 Mg0.597 Ni0.002 O4 Si0.001 Ti0.001 Zn0.004 -","- Al7.424 Cr8.152 Fe3.584 Mg4.776 Ni0.016 O32 Si0.008 Ti0.008 Zn0.032 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: IB_KRKV3A","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004949","8.2416","","8.2416","","8.2416","","90","","90","","90","","559.802","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.546 Cr1.422 Fe0.562 Mg0.457 Ni0.002 O4 Si0.002 Ti0.004 Zn0.007 -","- Al0.546 Cr1.422 Fe0.562 Mg0.457 Ni0.002 O4 Si0.002 Ti0.004 Zn0.007 -","- Al4.368 Cr11.376 Fe4.496 Mg3.656 Ni0.016 O32 Si0.016 Ti0.032 Zn0.056 -","8","0.0416667","","Lenaz, D.; Princivalle, F.","The crystal chemistry of detrital chromian spinel from the southeastern Alps and Outer Dinarides: The discrimination of supplies from areas of similar tectonic setting? Sample: IB_KRKV3B","The Canadian Mineralogist","2005","43","","1305","1314","10.2113/gscanmin.43.4.1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004950","19.5859","","10.1405","","10.911","","90","","120.815","","90","","1861.11","","","","","","","","","","","","Minasragra, Peru","4","C 1 2/m 1","-C 2y","12","","","Pascoite","- Ca3 H34 O45 V10 -","- Ca3 H34 O45 V10 -","- Ca6 H68 O90 V20 -","2","0.25","","Hughes, J. M.; Schindler, M.; Francis, C. A.","The C2/m disordered structure of pascoite, Ca3[V10O28]*17H2O: Bonding between structural units and interstitial complexes in compounds containing the [V10O28]6- decavanadanate polyanion","The Canadian Mineralogist","2005","43","","1379","1386","10.2113/gscanmin.43.4.1379","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004951","10.2635","","9.7028","","5.5711","","90","","94.207","","90","","553.301","","","","","","","","","","","","Bou Azzer district, Morocco","5","P 1 21/c 1","-P 2ybc","14","","","Cobaltarthurite","- As2 Co Fe2 H12 O14 -","- As2 Co Fe2 H12 O14 -","- As4 Co2 Fe4 H24 O28 -","2","0.5","","Kampf, A. R.","The crystal structure of cobaltarthurite from the Bou Azzer district, Morocco: The location of hydrogen atoms in the arthurite structure-type","The Canadian Mineralogist","2005","43","","1387","1391","10.2113/gscanmin.43.4.1387","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004952","11.364","","5.57","","10.455","","90","","96.61","","90","","657.376","","","","","","","","","","","","Iron Monarch mine, Iron Knob, South Australia","4","P 1 21/c 1","-P 2ybc","14","","","Waterhouseite","- H8 Mn7 O16 P2 -","- H8 Mn7 O16 P2 -","- H16 Mn14 O32 P4 -","2","0.5","","Pring, A.; Kolitsch, U.; Birch, W. D.","Description and unique crystal-structure of waterhouseite, a new hydroxy manganese phosphate species from the Iron Monarch deposit, Middleback Ranges, South Australia","The Canadian Mineralogist","2005","43","","1401","1410","10.2113/gscanmin.43.4.1401","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004953","9.7323","","8.9152","","5.2464","","90","","106.357","","90","","436.782","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.8 Mg1.2 O6 Si2 -","- Ca0.8 Mg1.2 O6 Si2 -","- Ca3.2 Mg4.8 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Meneghini, C.","Rietveld refinement of clinopyroxenes with intermediate Ca-content along the join diopside-enstatite Sample: Di80En20","The Canadian Mineralogist","2005","43","","1411","1421","10.2113/gscanmin.43.4.1411","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004954","9.7264","","8.9133","","5.2485","","90","","106.742","","90","","435.728","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.7 Mg1.3 O6 Si2 -","- Ca0.7 Mg1.3 O6 Si2 -","- Ca2.8 Mg5.2 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Meneghini, C.","Rietveld refinement of clinopyroxenes with intermediate Ca-content along the join diopside-enstatite Sample: Di70En30","The Canadian Mineralogist","2005","43","","1411","1421","10.2113/gscanmin.43.4.1411","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004955","9.711","","8.8935","","5.2452","","90","","107.278","","90","","432.559","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.59 Mg1.41 O6 Si2 -","- Ca0.59 Mg1.41 O6 Si2 -","- Ca2.36 Mg5.64 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Meneghini, C.","Rietveld refinement of clinopyroxenes with intermediate Ca-content along the join diopside-enstatite Sample: Di59En41","The Canadian Mineralogist","2005","43","","1411","1421","10.2113/gscanmin.43.4.1411","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004956","9.7042","","8.8805","","5.2423","","90","","108.084","","90","","429.455","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Enstatite","- Ca0.4 Mg1.6 O6 Si2 -","- Ca0.4 Mg1.6 O6 Si2 -","- Ca1.6 Mg6.4 O24 Si8 -","4","1","","Tribaudino, M.; Nestola, F.; Meneghini, C.","Rietveld refinement of clinopyroxenes with intermediate Ca-content along the join diopside-enstatite Sample: Di40En60","The Canadian Mineralogist","2005","43","","1411","1421","10.2113/gscanmin.43.4.1411","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004957","9.6655","","8.8534","","5.2138","","90","","108.349","","90","","423.474","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Enstatite","- Ca0.2 Mg1.8 O6 Si2 -","- Ca0.2 Mg1.8 O6 Si2 -","- Ca0.8 Mg7.2 O24 Si8 -","4","1","","Tribaudino, M.; Nestola, F.; Meneghini, C.","Rietveld refinement of clinopyroxenes with intermediate Ca-content along the join diopside-enstatite Sample: Di20En80","The Canadian Mineralogist","2005","43","","1411","1421","10.2113/gscanmin.43.4.1411","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004958","9.8771","","18.041","","5.3092","","90","","105.133","","90","","913.254","","","","","","","","","","","","Edenville, Orange County, New York","12","C 1 2/m 1","-C 2y","12","","","Fluoropargasite","- Al2.178 Ca1.82 Cl0.03 F1.26 Fe1.04 H2 K0.21 Mg3.26 Na0.83 O22.71 Si6.432 Ti0.09 -","- Al2.178 Ca1.82 Cl0.03 F1.26 Fe1.04 H2 K0.21 Mg3.26 Na0.83 O22.71 Si6.432 Ti0.09 -","- Al4.356 Ca3.64 Cl0.06 F2.52 Fe2.08 H4 K0.42 Mg6.52 Na1.66 O45.42 Si12.864 Ti0.18 -","2","0.25","","Lupulescu, M. V.; Rakovan, J.; Robinson, G. W.; Hughes, J. M.","Fluoropargasite, a new member of the calcic amphiboles from Edenville, Orange County, New York","The Canadian Mineralogist","2005","43","","1423","1428","10.2113/gscanmin.43.4.1423","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9004959","15.716","","15.716","","11.704","","90","","90","","90","","2890.8","","","","","","","","","","","","","16","P 4/n n c :2","-P 4a 2bc","126","","","Wiluite","- Al6.98 B2.86 Be0.02 Ca18.659 Ce0.04 F1.21 Fe1.91 H0.79 La0.05 Mg3.9 Mn0.11 Nd0.01 O78.83 Si18 Sr0.02 Ti0.27 -","- Al6.98 B2.86 Be0.02 Ca18.6589 Ce0.04 F1.20992 Fe1.91 H0.79 La0.05 Mg3.9 Mn0.11 Nd0.01 O78.8301 Si18 Sr0.02 Ti0.27 -","- Al13.96 B5.72 Be0.04 Ca37.3178 Ce0.08 F2.41984 Fe3.82 H1.58 La0.1 Mg7.8 Mn0.22 Nd0.02 O157.66 Si36 Sr0.04 Ti0.54 -","2","0.125","","Bellatreccia, F.; Camara, F.; Ottolini, L.; Della Ventura, G.; Cibin, G.; Mottana, A.","Wiluite from Ariccia, Latium, Italy: Occurrence and crystal structure Locality: Ariccia, Latium, Italy","The Canadian Mineralogist","2005","43","5","1457","1468","10.2113/gscanmin.43.5.1457","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004960","6.631","","15.195","","10.121","","90","","100.59","","90","","1002.4","","","","","","","","","","","","Scawt Hill, near Larne, County Antrim, Ireland","5","I 1 m 1","I -2y","8","","","Scawtite","- C H4 Ca7 O23 Si6 -","- C H4 Ca7 O23 Si6 -","- C2 H8 Ca14 O46 Si12 -","2","0.5","","Grice, J. D.","The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals","The Canadian Mineralogist","2005","43","","1489","1500","10.2113/gscanmin.43.5.1489","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004961","10.484","","6.712","","14.156","","90","","101.27","","90","","976.93","","","","","","","","","","","","Cornet Hill, Apuseni Mountains, Romania","4","P 1 21/a 1","-P 2yab","14","","","Spurrite","- C Ca5 O11 Si2 -","- C Ca5 O11 Si2 -","- C4 Ca20 O44 Si8 -","4","1","","Grice, J. D.","The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals","The Canadian Mineralogist","2005","43","","1489","1500","10.2113/gscanmin.43.5.1489","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004962","15.082","","10.236","","7.572","","90","","105.17","","90","","1128.23","","","","","","","","","","","","Cornet Hill, Apuseni Mountains, Romania","4","P 1 21/a 1","-P 2yab","14","","","Tilleyite","- C2 Ca5 O13 Si2 -","- C2 Ca5 O13 Si2 -","- C8 Ca20 O52 Si8 -","4","1","","Grice, J. D.","The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals","The Canadian Mineralogist","2005","43","","1489","1500","10.2113/gscanmin.43.5.1489","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004963","5.3516","","9.2817","","10.0475","","90","","100.337","","90","","490.979","","","","","","","","","","","","Fernando-do-Noronha island, Brazil","13","C 1 2/m 1","-C 2y","12","","","Oxykinoshitalite","- Al1.56 Ba0.47 Ca0.01 F0.25 Fe0.88 H0.31 K0.42 Mg1.36 Mn0.01 Na0.06 O11.75 Si2.312 Ti0.75 -","- Al1.56 Ba0.47 Ca0.01 F0.25 Fe0.88 H0.31 K0.42 Mg1.36 Mn0.01 Na0.06 O11.75 Si2.312 Ti0.75 -","- Al3.12 Ba0.94 Ca0.02 F0.5 Fe1.76 H0.62 K0.84 Mg2.72 Mn0.02 Na0.12 O23.5 Si4.624 Ti1.5 -","2","0.25","","Kogarko, L. N.; Uvarova, Y. A.; Sokolova, E.; Hawthorne, F. C.; Ottolini, L.; Grice, J. D.","Oxykinoshitalite, a new species of mica from Fernando-do-Noronha island, Brazil: Occurrence and crystal structure Locality: Fernando-do-Noronha island, Brazil","The Canadian Mineralogist","2005","43","","1501","1510","10.2113/gscanmin.43.5.1501","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9004964","10.2567","","8.8815","","17.0989","","90","","95.548","","90","","1550.33","","","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","Nickelalumite","- Al4 Fe0.01 H18 Ni0.55 O19 S V0.02 Zn0.39 -","- Al4 Fe0.01 H18 Ni0.55 O19 S V0.02 Zn0.39 -","- Al16 Fe0.04 H72 Ni2.2 O76 S4 V0.08 Zn1.56 -","4","1","","Uvarova, Y. A.; Sokolova, E.; Hawthorne, F. C.; Karpenko, V. V.; Agakhanov, A. A.; Pautov, L. A.","The crystal chemistry of the ""nickelalumite""-group minerals","The Canadian Mineralogist","2005","43","","1511","1519","10.2113/gscanmin.43.5.1511","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9004965","5.5606","","5.5606","","7.045","","90","","90","","120","","188.649","","","","","","","","","","","","Lovozero alkaline massif, Kola Peninsula, Russia","10","P -3 m 1","-P 3 2""","164","","","Olgite","- Ba0.76 Ca0.04 Ce0.02 K0.04 La0.1 Mn0.03 Na2.12 O8 P2 Sr0.88 -","- Ba0.76 Ca0.04 Ce0.02 K0.04 La0.1 Mn0.03 Na2.12 O8 P2 Sr0.88 -","- Ba0.76 Ca0.04 Ce0.02 K0.04 La0.1 Mn0.03 Na2.12 O8 P2 Sr0.88 -","1","0.0833333","","Sokolova, E.; Hawthorne, F. C.; Khomyakov, A. P.","Refinement of the crystal structure and revision of the chemical formula of olgite: (Ba,Sr) (Na,Sr,REE)2 Na [PO4]2 Sample: I","The Canadian Mineralogist","2005","43","","1521","1526","10.2113/gscanmin.43.5.1521","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004966","5.5492","","5.5492","","7.0286","","90","","90","","120","","187.439","","","","","","","","","","","","Lovozero alkaline massif, Kola Peninsula, Russia","8","P -3 m 1","-P 3 2""","164","","","Olgite","- Ba0.88 Ca0.04 Ce0.06 La0.04 Na2.2 O8 P2 Sr0.78 -","- Ba0.88 Ca0.04 Ce0.06 La0.04 Na2.2 O8 P2 Sr0.78 -","- Ba0.88 Ca0.04 Ce0.06 La0.04 Na2.2 O8 P2 Sr0.78 -","1","0.0833333","","Sokolova, E.; Hawthorne, F. C.; Khomyakov, A. P.","Refinement of the crystal structure and revision of the chemical formula of olgite: (Ba,Sr) (Na,Sr,REE)2 Na [PO4]2 Sample: III","The Canadian Mineralogist","2005","43","","1521","1526","10.2113/gscanmin.43.5.1521","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004967","5.3933","","7.0553","","26.451","","95.216","","93.49","","90.101","","1000.44","","","","","","","","","","","","Khibina-Lovozero alkaline complex, Kola peninsula, Russia","13","P -1","-P 1","2","","","Polyphite","- Ca1.4 F2 Fe0.065 Mg0.3 Mn0.68 Na8.74 Nb0.19 O21 P3 Si2 Sr0.03 Ti1.41 Zr0.185 -","- Ca1.4 F2 Fe0.065 Mg0.3 Mn0.68 Na8.74 Nb0.19 O21 P3 Si2 Sr0.03 Ti1.41 Zr0.185 -","- Ca2.8 F4 Fe0.13 Mg0.6 Mn1.36 Na17.48 Nb0.38 O42 P6 Si4 Sr0.06 Ti2.82 Zr0.37 -","2","1","","Sokolova, E.; Hawthorne, F. C.; Khomyakov, A. P.","Polyphite and sobolevite: Revision of their crystal structures","The Canadian Mineralogist","2005","43","","1527","1544","10.2113/gscanmin.43.5.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004968","7.0755","","5.4106","","40.623","","90","","93.156","","90","","1552.8","","","","","","","","","","","","Khibina-Lovozero alkaline complex, Kola peninsula, Russia","13","P 1 c 1","P -2yc","7","","","Sobolevite","- Ca1.63 F3 Fe0.1 Mg0.41 Mn1.02 Na13.62 Nb0.51 O33 P4 Si4 Sr0.03 Ti2.42 Zr0.09 -","- Ca1.63 F3 Fe0.1 Mg0.41 Mn1.02 Na13.62 Nb0.51 O33 P4 Si4 Sr0.03 Ti2.42 Zr0.09 -","- Ca3.26 F6 Fe0.2 Mg0.82 Mn2.04 Na27.24 Nb1.02 O66 P8 Si8 Sr0.06 Ti4.84 Zr0.18 -","2","1","","Sokolova, E.; Hawthorne, F. C.; Khomyakov, A. P.","Polyphite and sobolevite: Revision of their crystal structures","The Canadian Mineralogist","2005","43","","1527","1544","10.2113/gscanmin.43.5.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004969","10.824","","10.824","","7.549","","90","","90","","120","","765.942","","","","","","","","","","","","Searle Canyon, Thomas Range, Utah, USA","5","P 3","P 3","143","","","Holfertite","- Ca0.75 H11.17 O32.46 Ti3 U5.31 -","- Ca0.75 H19.96 O32.46 Ti3 U5.31 -","- Ca0.75 H19.96 O32.46 Ti3 U5.31 -","1","0.333333","","Sokolova, E.; Hawthorne, F. C.; Belakovskiy, D. I.; Pautov, L. A.","The OD (order-disorder) structure of holfertite, a hydrated uranyl titanate mineral from Searle Canyon, Thomas Range, Utah, USA","The Canadian Mineralogist","2005","43","","1545","1552","10.2113/gscanmin.43.5.1545","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005697","8.939","","5.706","","15.855","","90","","94.58","","90","","806.117","","","","","","","","","","","","Vastmanland, Sweden","9","P 1 21/m 1","-P 2yb","11","","","Vastmanlandite-(Ce)","- Al1.928 Ca0.922 Ce3.078 F0.461 Fe0.514 H2 Mg1.558 O21.539 Si5 -","- Al1.928 Ca0.922 Ce3.078 F0.461 Fe0.514 H2 Mg1.558 O21.539 Si5 -","- Al3.856 Ca1.844 Ce6.156 F0.922 Fe1.028 H4 Mg3.116 O43.078 Si10 -","2","0.5","","Holtstam, D.; Kolitsch, U.; Andersson, U. B.","Vastmanlandite-(Ce) - a new lanthanide- and F-bearing sorosilicate mineral from Vastmanland, Sweden: description, crystal structure, and relation to gatelite-(Ce) Locality: Vastmanland, Sweden","European Journal of Mineralogy","2005","17","","129","141","10.1127/0935-1221/2005/0017-0129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005698","17.738","","17.856","","7.419","","90","","116.55","","90","","2102.02","","","","","","","","","","","","Northern Ravnas silver prospect, southern Vinoren, Flesberg community,","8","C 1 2/m 1","-C 2y","12","","","Heulandite-Ba","- Al4.5 Ba1.098 Ca0.784 H37.688 K0.82 Na0.1 O46.742 Si13.5 -","- Al4.5 Ba1.098 Ca0.784 H21.484 K0.82 Na0.1 O46.742 Si13.5 -","- Al9 Ba2.196 Ca1.568 H42.968 K1.64 Na0.2 O93.484 Si27 -","2","0.25","","Larsen, A. O.; Nordrum, F. S.; Dobelin, N.; Armbruster, T.; Petersen, O. V.; Erambert, M.","Heulandite-Ba, a new zeolite species from Norway Locality: Northern Ravnas silver prospect, southern Vinoren, Flesberg community, Buskerud county, Norway (Kongsberg ore district)","European Journal of Mineralogy","2005","17","","143","153","10.1127/0935-1221/2005/0017-0143","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005699","2.845","","2.845","","7.485","","90","","90","","120","","52.467","","","","","","","","","","","","Friesach, Carinthia, Austria","3","P -3","-P 3","147","","","Rancieite","- Ca1.59 Mn0.167 O2.187 -","- Ca1.59 Mn0.16667 O2.18666 -","- Ca1.59 Mn0.16667 O2.18666 -","1","0.166667","","Ertl, A.; Pertlik, F.; Prem, M.; Post, J. E.; Kim, S. J.; Brandstatter, F.; Schuster, R.","Rancieite crystals from Friesach, Carinthia, Austria Note: Birnessite group","European Journal of Mineralogy","2005","17","","163","172","10.1127/0935-1221/2005/0017-0163","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005700","4.69","","11.7875","","20.1823","","90","","90","","90","","1115.75","","","","","","","","","","","","Gfohl unit, Lower Austria","9","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.64 B F0.021 Fe0.04 H0.81 Mg0.09 O17.979 Si2.84 Ti0.07 -","- Al6.64 B F0.021 Fe0.04 H0.81 Mg0.09 O17.979 Si2.84 Ti0.07 -","- Al26.56 B4 F0.084 Fe0.16 H3.24 Mg0.36 O71.916 Si11.36 Ti0.28 -","4","0.5","","Fuchs, Y.; Ertl, A.; Hughes, J. M.; Prowatke, S.; Brandstatter, F.; Schuster, R.","Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, and infra-red spectroscopy Sample: DUM1","European Journal of Mineralogy","2005","17","","173","183","10.1127/0935-1221/2005/0017-0173","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005701","4.6948","","11.8037","","20.2106","","90","","90","","90","","1119.99","","","","","","","","","","","","Gfohl unit, Lower Austria","9","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.61 B F0.009 Fe0.02 H0.849 Mg0.12 O17.991 Si2.83 Ti0.09 -","- Al6.61 B F0.009 Fe0.02 H0.849 Mg0.12 O17.991 Si2.83 Ti0.09 -","- Al26.44 B4 F0.036 Fe0.08 H3.396 Mg0.48 O71.964 Si11.32 Ti0.36 -","4","0.5","","Fuchs, Y.; Ertl, A.; Hughes, J. M.; Prowatke, S.; Brandstatter, F.; Schuster, R.","Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, and infra-red spectroscopy Sample: DUM2","European Journal of Mineralogy","2005","17","","173","183","10.1127/0935-1221/2005/0017-0173","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005702","9.658","","8.834","","5.263","","90","","106.46","","90","","430.63","","","","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca2 Cr2 Mg2 Na2 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Ohashi, H.","High temperature single crystal investigation in a clinopyroxene of composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6 Sample: T = 25 C, 2-theta <= 110 Note: Sample is exactly intermediate between diopside and kosmochlor","European Journal of Mineralogy","2005","17","","297","304","10.1127/0935-1221/2005/0017-0297","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005703","9.656","","8.833","","5.262","","90","","106.528","","90","","430.259","","","","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca2 Cr2 Mg2 Na2 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Ohashi, H.","High temperature single crystal investigation in a clinopyroxene of composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6 Sample: T = 25 C, 2-theta <= 50 Note: Sample is exactly intermediate between diopside and kosmochlor Note: a cell edge corrected","European Journal of Mineralogy","2005","17","","297","304","10.1127/0935-1221/2005/0017-0297","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005704","9.666","","8.85","","5.267","","90","","106.53","","90","","431.94","","","","473.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca2 Cr2 Mg2 Na2 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Ohashi, H.","High temperature single crystal investigation in a clinopyroxene of composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6 Sample: T = 200 C, 2-theta <= 50 Note: Sample is exactly intermediate between diopside and kosmochlor","European Journal of Mineralogy","2005","17","","297","304","10.1127/0935-1221/2005/0017-0297","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005705","9.682","","8.874","","5.274","","90","","106.53","","90","","434.404","","","","673.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca2 Cr2 Mg2 Na2 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Ohashi, H.","High temperature single crystal investigation in a clinopyroxene of composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6 Sample: T = 400 C, 2-theta <= 50 Note: Sample is exactly intermediate between diopside and kosmochlor","European Journal of Mineralogy","2005","17","","297","304","10.1127/0935-1221/2005/0017-0297","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005706","9.697","","8.902","","5.282","","90","","106.54","","90","","437.09","","","","893.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca2 Cr2 Mg2 Na2 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Ohashi, H.","High temperature single crystal investigation in a clinopyroxene of composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6 Sample: T = 620 C, 2-theta <= 50 Note: Sample is exactly intermediate between diopside and kosmochlor","European Journal of Mineralogy","2005","17","","297","304","10.1127/0935-1221/2005/0017-0297","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005707","18.2126","","18.5695","","6.5741","","90","","90","","90","","2223.35","","","","","","","","900000","","","","","7","F d d 2","F 2 -2d","43","","","Natrolite (deuterated)","- Al2 Ca0.02 D2.96 Mg0.06 Na1.92 O11.84 Si3 -","- Al2 Ca0.02 D2.96 Mg0.06 Na1.92 O11.84 Si3 -","- Al16 Ca0.16 D23.68 Mg0.48 Na15.36 O94.72 Si24 -","8","0.5","","Seryotkin, Y. V.; Bakakin, V. V.; Fursenko, B. A.; Belitsky, I. A.; Joswig, W.; Radaelli, P. G.","Structural evolution of natrolite during over-hydration: a high-pressure neutron diffraction study Note: Zeolite Sample: Khibiny massif, Kola Peninsula, Russia; P = .9 GPa","European Journal of Mineralogy","2005","17","","305","313","10.1127/0935-1221/2005/0017-0305","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9005708","18.8971","","19.3142","","6.4833","","90","","91.5835","","90","","2365.39","","","","","","","","1000000","","","","","7","F 1 d 1","","","","","Natrolite (deuterated)","- Al2 Ca0.02 D6.99 Mg0.06 Na1.92 O13.5 Si3 -","- Al2 Ca0.02 D6.99 Mg0.06 Na1.92 O13.5 Si3 -","- Al16 Ca0.16 D55.92 Mg0.48 Na15.36 O108 Si24 -","8","","","Seryotkin, Y. V.; Bakakin, V. V.; Fursenko, B. A.; Belitsky, I. A.; Joswig, W.; Radaelli, P. G.","Structural evolution of natrolite during over-hydration: a high-pressure neutron diffraction study Note: Zeolite Sample: Khibiny massif, Kola Peninsula, Russia; P = 1.0 GPa","European Journal of Mineralogy","2005","17","","305","313","10.1127/0935-1221/2005/0017-0305","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9005709","12.181","","12.807","","6.6391","","90","","112.441","","90","","957.282","","","","","","","","","","","","Volcanic complex of Erciyes, Kiranardi, Turkey","7","C 1 2/c 1","-C 2yc","15","","","Yazganite","- As3 Fe2 H4 Mg0.656 Mn0.344 Na O13 -","- As3 Fe2 H2 Mg0.656 Mn0.344 Na O13 -","- As12 Fe8 H8 Mg2.624 Mn1.376 Na4 O52 -","4","0.5","","Sarp, H.; Cerny, R.","Yazganite, NaFe3+2(Mg,Mn)(AsO4)3*H2O, a new mineral: its description and crystal structure Note: variant of the johillerite structure, alluaudite group Sample: Volcanic complex of Erciyes, 10 km south of the prefecture of Kayseri, near Hisarcik, village Kiranardi, Turkey","European Journal of Mineralogy","2005","17","","367","373","10.1127/0935-1221/2005/0017-0367","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005710","12.337","","12.337","","11.93","","90","","90","","90","","1815.77","","","","","","","","","","","","Wessels Mine, South Africa","6","I 41/a c d :2","-I 4bd 2c","142","","","Holtstamite","- Al0.994 Ca3 H4 Mn1.006 O12 Si1.95 -","- Al0.994 Ca3 H4 Mn1.006 O12 Si1.95 -","- Al7.952 Ca24 H32 Mn8.048 O96 Si15.6 -","8","0.25","","Halenius, U.; Haussermann, U.; Harryson, H.","Holtstamite, Ca3(Al,Mn3+)2(SiO4)3-x(H4O4)x, a new tetragonal hydrogarnet from Wessels Mine, South Africa","European Journal of Mineralogy","2005","17","","375","382","10.1127/0935-1221/2005/0017-0375","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005711","9.029","","5.203","","20.201","","90","","99.35","","90","","936.392","","","","","","","","","","","","Varutrask, Vasterbotten, Sweden","15","C 1 2/c 1","-C 2yc","15","","","Polylithionite","- Al1.656 Ca0.002 Cs0.02 F1.722 Fe0.018 H0.278 K0.874 Li1.758 Mg0.006 Mn0.014 Na0.029 O10.278 Rb0.073 Si3.54 Ti0.002 -","- Al1.656 Ca0.002 Cs0.02 F1.722 Fe0.018 H0.278 K0.874 Li1.758 Mg0.006 Mn0.014 Na0.029 O10.278 Rb0.073 Si3.54 Ti0.002 -","- Al6.624 Ca0.008 Cs0.08 F6.888 Fe0.072 H1.112 K3.496 Li7.032 Mg0.024 Mn0.056 Na0.116 O41.112 Rb0.292 Si14.16 Ti0.008 -","4","0.5","","Brigatti, M. F.; Caprilli, E.; Malferrari, D.; Medici, L.; Poppi, L.","Crystal structure and chemistry of trilithionite-2M2 and polylithionite-2M2 Note: sample SBT","European Journal of Mineralogy","2005","17","","475","481","10.1127/0935-1221/2005/0017-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9005712","9.056","","5.216","","20.282","","90","","99.64","","90","","944.514","","","","","","","","","","","","Chedeville, France","13","C 1 2/c 1","-C 2yc","15","","","Trilithionite","- Al2.202 Ba0.002 Cr0.002 F1.54 Fe0.026 H0.46 K0.872 Li1.522 Mn0.48 Na0.073 O10.46 Si3.188 Ti0.006 -","- Al2.202 Ba0.002 Cr0.002 F1.54 Fe0.026 H0.46 K0.872 Li1.522 Mn0.48 Na0.073 O10.46 Si3.188 Ti0.006 -","- Al8.808 Ba0.008 Cr0.008 F6.16 Fe0.104 H1.84 K3.488 Li6.088 Mn1.92 Na0.292 O41.84 Si12.752 Ti0.024 -","4","0.5","","Brigatti, M. F.; Caprilli, E.; Malferrari, D.; Medici, L.; Poppi, L.","Crystal structure and chemistry of trilithionite-2M2 and polylithionite-2M2 Note: sample Lch 59a","European Journal of Mineralogy","2005","17","","475","481","10.1127/0935-1221/2005/0017-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9005713","9.033","","5.21","","20.271","","90","","99.71","","90","","940.326","","","","","","","","","","","","Chedeville, France","12","C 1 2/c 1","-C 2yc","15","","","Trilithionite","- Al2.066 Ca0.002 F1.588 Fe0.008 H0.412 K0.903 Li1.572 Mn0.044 Na0.045 O10.412 Si3.292 Ti0.004 -","- Al2.066 Ca0.002 F1.588 Fe0.008 H0.412 K0.903 Li1.572 Mn0.044 Na0.045 O10.412 Si3.292 Ti0.004 -","- Al8.264 Ca0.008 F6.352 Fe0.032 H1.648 K3.612 Li6.288 Mn0.176 Na0.18 O41.648 Si13.168 Ti0.016 -","4","0.5","","Brigatti, M. F.; Caprilli, E.; Malferrari, D.; Medici, L.; Poppi, L.","Crystal structure and chemistry of trilithionite-2M2 and polylithionite-2M2 Note: sample Lch 132","European Journal of Mineralogy","2005","17","","475","481","10.1127/0935-1221/2005/0017-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9005714","13.84","","20.452","","5.143","","90","","90","","90","","1455.76","","","","","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","","Carpholite","- Al3.02 H8 K0.012 Mg0.26 Mn1.74 O20 Si4 V0.98 -","- Al3.02 H8 K0.012 Mg0.26 Mn1.74 O20 Si4 V0.98 -","- Al12.08 H32 K0.048 Mg1.04 Mn6.96 O80 Si16 V3.92 -","4","0.25","","Basso, R.; Cabella, R.; Lucchetti, G.; Martinelli, A.; Palenzona, A.","Vanadiocarpholite, Mn2+V3+Al(Si2O6)(OH)4, a new mineral from the Molinello mine, northern Apennines, Italy Note: sample VrC Locality: Molinello mine, northern Apennines, Italy","European Journal of Mineralogy","2005","17","","501","507","10.1127/0935-1221/2005/0017-0501","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005715","13.83","","20.681","","5.188","","90","","90","","90","","1483.86","","","","","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","","Vanadiocarpholite","- Al2.02 H8 K0.168 Mg0.16 Mn1.84 O20 Si4 V1.98 -","- Al2.02 H8 K0.168 Mg0.16 Mn1.84 O20 Si4 V1.98 -","- Al8.08 H32 K0.672 Mg0.64 Mn7.36 O80 Si16 V7.92 -","4","0.25","","Basso, R.; Cabella, R.; Lucchetti, G.; Martinelli, A.; Palenzona, A.","Vanadiocarpholite, Mn2+V3+Al(Si2O6)(OH)4, a new mineral from the Molinello mine, northern Apennines, Italy Note: sample VC Locality: Molinello mine, northern Apennines, Italy","European Journal of Mineralogy","2005","17","","501","507","10.1127/0935-1221/2005/0017-0501","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005716","8.0778","","8.0778","","8.0778","","90","","90","","90","","527.083","","","","","","","","","","annealed at T = 900 C for t = 132 hrs, then quenched","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: SM1(900) was annealed at T = 900 C for t = 132 hrs, then quenched","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005717","8.0812","","8.0812","","8.0812","","90","","90","","90","","527.749","","","","","","","","","","annealed at T = 600 C for t = 26 hrs, then quenched","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: SM3(600) was annealed at T = 600 C for t = 26 hrs, then quenched","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005718","8.081","","8.081","","8.081","","90","","90","","90","","527.71","","","","293.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 20 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005719","8.085","","8.085","","8.085","","90","","90","","90","","528.494","","","","373.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 100 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005720","8.092","","8.092","","8.092","","90","","90","","90","","529.868","","","","473.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 200 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005721","8.099","","8.099","","8.099","","90","","90","","90","","531.244","","","","573.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 300 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005722","8.105","","8.105","","8.105","","90","","90","","90","","532.426","","","","673.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 400 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005723","8.111","","8.111","","8.111","","90","","90","","90","","533.609","","","","773.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 500 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005724","8.119","","8.119","","8.119","","90","","90","","90","","535.19","","","","873.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 600 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005725","8.127","","8.127","","8.127","","90","","90","","90","","536.773","","","","973.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 700 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005726","8.136","","8.136","","8.136","","90","","90","","90","","538.558","","","","1073.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 800 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005727","8.144","","8.144","","8.144","","90","","90","","90","","540.149","","","","1173.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 900 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005728","8.153","","8.153","","8.153","","90","","90","","90","","541.941","","","","1273.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 1000 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005737","6.505","","6.744","","18.561","","90","","108.75","","90","","771.053","","","","","","","","","","","","Biraia deposit, Irkutsk district, Siberia, Russia","15","P 1 21/c 1","-P 2ybc","14","","","Biraite-(Ce)","- C Ca0.06 Ce F0.2 Fe0.67 La0.56 Mg0.21 Mn0.11 Na0.02 Nd0.24 O9.8 Pr0.08 Si2 Sm0.02 Ti0.01 -","- C Ca0.06 Ce F0.2 Fe0.67 La0.56 Mg0.21 Mn0.11 Na0.02 Nd0.24 O9.8 Pr0.08 Si2 Sm0.02 Ti0.01 -","- C4 Ca0.24 Ce4 F0.8 Fe2.68 La2.24 Mg0.84 Mn0.44 Na0.08 Nd0.96 O39.2 Pr0.32 Si8 Sm0.08 Ti0.04 -","4","1","","Konev, A.; Pasero, M.; Pushcharovsky, D.; Merlino, S.; Kashaev, A.; Suvorova, L.; Ushchapovskaya, Z.; Nartova, N.; Lebedeva, Y.; Chukanov, N.","Biraite-(Ce), Ce2Fe2+(CO3)(Si2O7), a new mineral from Siberia with a novel structure type","European Journal of Mineralogy","2005","17","","715","721","10.1127/0935-1221/2005/0017-0715","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005738","21.336","","3.0679","","5.8744","","90","","98.06","","90","","380.721","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Fe3.5 O5 Si0.5 -","- Fe3.5 O5 Si0.5 -","- Fe14 O20 Si2 -","4","0.5","","Van Aken, P. A.; Miehe, G.; Woodland, A. B.; Angel, R. J.","Crystal structure and cation distribution in Fe7SiO10 (""Iscorite"")","European Journal of Mineralogy","2005","17","","723","731","10.1127/0935-1221/2005/0017-0723","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005739","6.5291","","12.653","","10.952","","90","","97.18","","90","","897.679","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Mn6.95 Na2.119 O24 P6 -","- Mn6.95 Na2.119 O24 P6 -","- Mn13.9 Na4.238 O48 P12 -","2","0.5","","Yakubovich, O. V.; Massa, W.; Gavrilenko, P. G.; Dimitrova, O. V.","The crystal structure of a new synthetic member in the wyllieite group: Na1.265Mn2+2.690Mn3+0.785(PO4)3 Note: Uiso's for Mn2 and Mn3 corrected by authors","European Journal of Mineralogy","2005","17","","741","747","10.1127/0935-1221/2005/0017-0741","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005740","11.838","","12.347","","6.2973","","90","","114.353","","90","","838.539","","","","","","","","","","","","Rubindi pegmatite, Rwanda","6","P 1 21/n 1","-P 2yn","14","","","Ferrorosemaryite","- Al1.846 Fe3.996 Mn0.366 Na0.501 O24 P6 -","- Al1.846 Fe3.996 Mn0.366 Na0.501 O24 P6 -","- Al3.692 Fe7.992 Mn0.732 Na1.002 O48 P12 -","2","0.5","","Hatert, F.; Lefevre, P.; Fransolet, A. M.; Spirlet, M. R.; Rebbouh, L.; Fontan, F.; Keller, P.","Ferrorosemaryite, NaFe2+Fe3+Al(PO4)3, a new phosphate mineral from the Rubindi pegmatite, Rwanda","European Journal of Mineralogy","2005","17","","749","759","10.1127/0935-1221/2005/0017-0749","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005741","9.0352","","9.0352","","9.0352","","90","","90","","90","","737.587","","","","","","","","","","","","Mt. Vesuvio, Italy","9","P -4 3 n","P -4n 2 3","218","","","Sodalite","- C0.15 Al3 Ca0.616 Cl0.47 K0.7 Na2.64 O13.986 S0.384 Si3 -","- C0.15 Al3 Ca0.616 Cl0.47 K0.7 Na2.64 O13.9856 S0.384 Si3 -","- C0.3 Al6 Ca1.232 Cl0.94 K1.4 Na5.28 O27.9712 S0.768 Si6 -","2","0.0833333","","Ballirano, P.; Maras, A.","Crystal chemical and structural characterization of an unusual CO3-bearing sodalite-group mineral","European Journal of Mineralogy","2005","17","","805","812","10.1127/0935-1221/2005/0017-0805","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9005742","12.8514","","12.8514","","5.0468","","90","","90","","120","","721.851","","","","","","","","","","","","Synthetic","6","P 63","P 6c","173","","","","- Co3 Cs H1.226 Na3 O13.226 P3 -","- Co3 Cs H1.226 Na3 O13.226 P3 -","- Co6 Cs2 H2.452 Na6 O26.452 P6 -","2","0.333333","","Bieniok, A.; Brendel, U.; Paulus, E. F.; Amthauer, G.","Microporous cobalto- and zincophosphates with the framework-type of cancrinite Sample: CoPO4-CAN","European Journal of Mineralogy","2005","17","","813","818","10.1127/0935-1221/2005/0017-0813","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9005743","12.794","","12.794","","5.066","","90","","90","","120","","718.139","","","","","","","","","","","","Synthetic","6","P 63","P 6c","173","","","","- Cs H0.951 Na3 O12.951 P3 Zn3 -","- Cs H0.951 Na3 O12.951 P3 Zn3 -","- Cs2 H1.902 Na6 O25.902 P6 Zn6 -","2","0.333333","","Bieniok, A.; Brendel, U.; Paulus, E. F.; Amthauer, G.","Microporous cobalto- and zincophosphates with the framework-type of cancrinite Sample: ZnPO4-CAN","European Journal of Mineralogy","2005","17","","813","818","10.1127/0935-1221/2005/0017-0813","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9005744","11.9492","","12.5548","","6.4966","","90","","114.816","","90","","884.623","","","","100","","","","","","","","Hagendorf, Bavaria, Germany","6","C 1 2/c 1","-C 2yc","15","","","Hagendorfite","- Ca0.17 Fe2 Mn Na1.83 O12 P3 -","- Ca0.17 Fe2 Mn Na1.83 O12 P3 -","- Ca0.68 Fe8 Mn4 Na7.32 O48 P12 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Bernroider, M.; Lottermoser, W.; Amthauer, G.; Roth, G.","Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): Crystal structure determination and 57Fe Mossbauer spectroscopy 100K","European Journal of Mineralogy","2005","17","","915","932","10.1127/0935-1221/2005/0017-0915","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005745","11.9721","","12.5988","","6.5029","","90","","114.841","","90","","890.107","","","","298","","","","","","","","Hagendorf, Bavaria, Germany","6","C 1 2/c 1","-C 2yc","15","","","Hagendorfite","- Ca0.17 Fe2 Mn Na1.83 O12 P3 -","- Ca0.17 Fe2 Mn Na1.83 O12 P3 -","- Ca0.68 Fe8 Mn4 Na7.32 O48 P12 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Bernroider, M.; Lottermoser, W.; Amthauer, G.; Roth, G.","Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): Crystal structure determination and 57Fe Mossbauer spectroscopy 298K","European Journal of Mineralogy","2005","17","","915","932","10.1127/0935-1221/2005/0017-0915","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005746","11.9941","","12.5256","","6.3973","","90","","114.257","","90","","876.235","","","","298","","","","","","","","Buranga, Rwanda","6","C 1 2/c 1","-C 2yc","15","","","Alluaudite","- Al0.52 Ca0.32 Fe2.48 Na0.84 O12 P3 -","- Al0.52 Ca0.32 Fe2.48 Na0.84 O12 P3 -","- Al2.08 Ca1.28 Fe9.92 Na3.36 O48 P12 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Bernroider, M.; Lottermoser, W.; Amthauer, G.; Roth, G.","Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): Crystal structure determination and 57Fe Mossbauer spectroscopy","European Journal of Mineralogy","2005","17","","915","932","10.1127/0935-1221/2005/0017-0915","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007329","5.6884","","28.9238","","8.2382","","90","","90","","90","","1355.43","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite II","- Fe0.08 Mg9.636 O14 Si2.173 -","- Fe0.08 Mg9.636 O14 Si2.173 -","- Fe0.32 Mg38.544 O56 Si8.692 -","4","0.25","","Smyth, J. R.; Holl, C. M.; Langenhorst, F.; Laustsen, H. M. S.; Rossman, G. R.; Kleppe, A.; McCammon, C. A.; Kawamoto, T.; van Aken, P. A.","Crystal chemistry of wadsleyite II and water in the Earth's interior Sample: 1 Reported formula: Mg1.71 Fe.18 Al.01 H.33 Si.96 O4","Physics and Chemistry of Minerals","2005","31","","691","705","10.1007/s00269-004-0431-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007330","5.6896","","29.104","","8.243","","90","","90","","90","","1364.96","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite II","- Fe0.338 Mg9.292 O14 Si2.134 -","- Fe0.338 Mg9.292 O14 Si2.134 -","- Fe1.352 Mg37.168 O56 Si8.536 -","4","0.25","","Smyth, J. R.; Holl, C. M.; Langenhorst, F.; Laustsen, H. M. S.; Rossman, G. R.; Kleppe, A.; McCammon, C. A.; Kawamoto, T.; van Aken, P. A.","Crystal chemistry of wadsleyite II and water in the Earth's interior Sample: 2 Reported formula: Mg1.60 Fe.22 Al.01 H.44 Si.97 O4","Physics and Chemistry of Minerals","2005","31","","691","705","10.1007/s00269-004-0431-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007331","9.068","","9.068","","4.461","","90","","90","","90","","366.822","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe2.26 Ni0.74 P -","- Fe2.26 Ni0.74 P -","- Fe18.08 Ni5.92 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Acuna","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007332","9.0575","","9.0575","","4.4622","","90","","90","","90","","366.071","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe2.07 Ni0.93 P -","- Fe2.07 Ni0.93 P -","- Fe16.56 Ni7.44 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Carlton","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007333","9.047","","9.047","","4.46","","90","","90","","90","","365.043","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe1.88 Ni1.12 P -","- Fe1.88 Ni1.12 P -","- Fe15.04 Ni8.96 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Hex River Mts cl#1","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007334","9.051","","9.051","","4.462","","90","","90","","90","","365.53","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe1.98 Ni1.02 P -","- Fe1.98 Ni1.02 P -","- Fe15.84 Ni8.16 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Hex River Mts cl#2","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007335","9.04","","9.04","","4.462","","90","","90","","90","","364.642","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe1.79 Ni1.21 P -","- Fe1.79 Ni1.21 P -","- Fe14.32 Ni9.68 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Hex River Mts cl#3","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007336","9.06","","9.06","","4.4598","","90","","90","","90","","366.076","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe2.1 Ni0.9 P -","- Fe2.1 Ni0.9 P -","- Fe16.8 Ni7.2 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Odessa cl#1","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007337","9.0375","","9.0375","","4.4601","","90","","90","","90","","364.285","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe1.75 Ni1.25 P -","- Fe1.75 Ni1.25 P -","- Fe14 Ni10 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Odessa cl#2","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007338","9.075","","9.075","","4.464","","90","","90","","90","","367.636","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe2.43 Ni0.57 P -","- Fe2.43 Ni0.57 P -","- Fe19.44 Ni4.56 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Sikhote-Alin","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007339","7.0599","","8.7156","","6.5597","","90","","113.797","","90","","369.311","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Liferovich, R. P.; Mitchell, R. H.","Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0","Physics and Chemistry of Minerals","2005","32","","40","51","10.1007/s00269-004-0441-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007340","7.0788","","8.7378","","6.5754","","90","","113.709","","90","","372.383","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti0.9 Zr0.1 -","- Ca O5 Si Ti0.9 Zr0.1 -","- Ca4 O20 Si4 Ti3.6 Zr0.4 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.1","Physics and Chemistry of Minerals","2005","32","","40","51","10.1007/s00269-004-0441-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007341","7.0992","","8.758","","6.5894","","90","","113.635","","90","","375.329","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti0.81 Zr0.19 -","- Ca O5 Si Ti0.81 Zr0.19 -","- Ca4 O20 Si4 Ti3.24 Zr0.76 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.2","Physics and Chemistry of Minerals","2005","32","","40","51","10.1007/s00269-004-0441-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007342","7.1252","","8.7826","","6.6057","","90","","113.553","","90","","378.933","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti0.71 Zr0.29 -","- Ca O5 Si Ti0.71 Zr0.29 -","- Ca4 O20 Si4 Ti2.84 Zr1.16 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.3","Physics and Chemistry of Minerals","2005","32","","40","51","10.1007/s00269-004-0441-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007343","7.1481","","8.8011","","6.6171","","90","","113.477","","90","","381.829","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti0.62 Zr0.38 -","- Ca O5 Si Ti0.62 Zr0.38 -","- Ca4 O20 Si4 Ti2.48 Zr1.52 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.4","Physics and Chemistry of Minerals","2005","32","","40","51","10.1007/s00269-004-0441-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007344","7.1824","","8.8281","","6.6337","","90","","113.369","","90","","386.119","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti0.51 Zr0.49 -","- Ca O5 Si Ti0.51 Zr0.49 -","- Ca4 O20 Si4 Ti2.04 Zr1.96 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.5","Physics and Chemistry of Minerals","2005","32","","40","51","10.1007/s00269-004-0441-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007345","8.1396","","8.1396","","8.1396","","90","","90","","90","","539.274","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.94 Fe0.76 Mg0.3 O4 -","- Al1.94 Fe0.76 Mg0.3 O4 -","- Al15.52 Fe6.08 Mg2.4 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Unannealed","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007346","8.1388","","8.1388","","8.1388","","90","","90","","90","","539.115","","","","773.15","","","","","","Annealing temperature and time T = 500 C, t = 24 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.94 Fe0.77 Mg0.29 O4 -","- Al1.94 Fe0.77 Mg0.29 O4 -","- Al15.52 Fe6.16 Mg2.32 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 24 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007347","8.1384","","8.1384","","8.1384","","90","","90","","90","","539.035","","","","773.15","","","","","","Annealing temperature and time T = 500 C, t = 72 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.94 Fe0.76 Mg0.29 O4 -","- Al1.94 Fe0.76 Mg0.29 O4 -","- Al15.52 Fe6.08 Mg2.32 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 72 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007348","8.138","","8.138","","8.138","","90","","90","","90","","538.956","","","","773.15","","","","","","Annealing temperature and time T = 500 C, t = 116 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.94 Fe0.76 Mg0.3 O4 -","- Al1.94 Fe0.76 Mg0.3 O4 -","- Al15.52 Fe6.08 Mg2.4 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 116 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007349","8.138","","8.138","","8.138","","90","","90","","90","","538.956","","","","773.15","","","","","","Annealing temperature and time T = 500 C, t = 212 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.95 Fe0.76 Mg0.29 O4 -","- Al1.95 Fe0.76 Mg0.29 O4 -","- Al15.6 Fe6.08 Mg2.32 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 212 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007350","8.1366","","8.1366","","8.1366","","90","","90","","90","","538.678","","","","873.15","","","","","","Annealing temperature and time T = 600 C, t = 236 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.93 Fe0.77 Mg0.29 O4 -","- Al1.93 Fe0.77 Mg0.29 O4 -","- Al15.44 Fe6.16 Mg2.32 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 236 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007351","8.1347","","8.1347","","8.1347","","90","","90","","90","","538.3","","","","873.15","","","","","","Annealing temperature and time T = 600 C, t = 242 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.92 Fe0.76 Mg0.3 O4 -","- Al1.92 Fe0.76 Mg0.3 O4 -","- Al15.36 Fe6.08 Mg2.4 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 242 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007352","8.1329","","8.1329","","8.1329","","90","","90","","90","","537.943","","","","873.15","","","","","","Annealing temperature and time T = 600 C, t = 260 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.91 Fe0.77 Mg0.29 O4 -","- Al1.91 Fe0.77 Mg0.29 O4 -","- Al15.28 Fe6.16 Mg2.32 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 260 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007353","8.1291","","8.1291","","8.1291","","90","","90","","90","","537.189","","","","873.15","","","","","","Annealing temperature and time T = 600 C, t = 308 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.92 Fe0.75 Mg0.29 O4 -","- Al1.92 Fe0.75 Mg0.29 O4 -","- Al15.36 Fe6 Mg2.32 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 308 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007354","8.1198","","8.1198","","8.1198","","90","","90","","90","","535.348","","","","873.15","","","","","","Annealing temperature and time T = 600 C, t = 356 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.88 Fe0.75 Mg0.29 O4 -","- Al1.88 Fe0.75 Mg0.29 O4 -","- Al15.04 Fe6 Mg2.32 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 356 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007355","8.1172","","8.1172","","8.1172","","90","","90","","90","","534.834","","","","873.15","","","","","","Annealing temperature and time T = 600 C, t = 452 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.87 Fe0.74 Mg0.29 O4 -","- Al1.87 Fe0.74 Mg0.29 O4 -","- Al14.96 Fe5.92 Mg2.32 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 452 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007356","8.1076","","8.1076","","8.1076","","90","","90","","90","","532.938","","","","873.15","","","","","","Annealing temperature and time T = 600 C, t = 596 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.84 Fe0.75 Mg0.28 O4 -","- Al1.84 Fe0.75 Mg0.28 O4 -","- Al14.72 Fe6 Mg2.24 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 596 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007357","8.1045","","8.1045","","8.1045","","90","","90","","90","","532.327","","","","873.15","","","","","","Annealing temperature and time T = 600 C, t = 860 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.84 Fe0.74 Mg0.29 O4 -","- Al1.84 Fe0.74 Mg0.29 O4 -","- Al14.72 Fe5.92 Mg2.32 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 860 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007358","8.0989","","8.0989","","8.0989","","90","","90","","90","","531.225","","","","873.15","","","","","","Annealing temperature and time T = 600 C, t = 1196 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.82 Fe0.72 Mg0.29 O4 -","- Al1.82 Fe0.72 Mg0.29 O4 -","- Al14.56 Fe5.76 Mg2.32 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 1196 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007359","8.0975","","8.0975","","8.0975","","90","","90","","90","","530.949","","","","873.15","","","","","","Annealing temperature and time T = 600 C, t = 1842 h","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al1.81 Fe0.73 Mg0.29 O4 -","- Al1.81 Fe0.73 Mg0.29 O4 -","- Al14.48 Fe5.84 Mg2.32 O32 -","8","0.0416667","","Lavina, B.; Princivalle, F.; Della Giusta, A.","Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 1842 h","Physics and Chemistry of Minerals","2005","32","","83","88","10.1007/s00269-004-0438-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007360","7.826","","7.826","","5.004","","90","","90","","90","","306.476","","","","298","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 298 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007361","7.83","","7.83","","5.002","","90","","90","","90","","306.667","","","","348","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 348 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007362","7.832","","7.832","","5.003","","90","","90","","90","","306.885","","","","359","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 359 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007363","7.833","","7.833","","5.004","","90","","90","","90","","307.025","","","","373","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 373 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007364","7.838","","7.838","","5.006","","90","","90","","90","","307.54","","","","413","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 413 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007365","7.845","","7.845","","5.011","","90","","90","","90","","308.397","","","","463","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 463 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007366","7.852","","7.852","","5.019","","90","","90","","90","","309.441","","","","513","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 513 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007367","7.857","","7.857","","5.022","","90","","90","","90","","310.02","","","","573","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 573 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007368","7.868","","7.868","","5.027","","90","","90","","90","","311.199","","","","673","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 673 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007369","7.879","","7.879","","5.032","","90","","90","","90","","312.38","","","","773","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 773 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007370","12.1464","","12.1464","","12.1464","","90","","90","","90","","1792.02","","","","","","","","","","","","","12","I a -3 d","-I 4bd 2c 3","230","","","Schorlomite","- Al0.22 Ca2.899 Fe1.308 H0.119 Mg0.156 Mn0.02 Na0.023 Nb0.003 O12 Si2.302 Ti0.959 Zr0.08 -","- Al0.22 Ca2.8989 Fe1.308 H0.1191 Mg0.156 Mn0.0201 Na0.0231 Nb0.003 O12 Si2.3019 Ti0.959 Zr0.08 -","- Al1.76 Ca23.1912 Fe10.464 H0.9528 Mg1.248 Mn0.1608 Na0.1848 Nb0.024 O96 Si18.4152 Ti7.672 Zr0.64 -","8","0.0833333","","Chakhmouradian, A. R.; McCammon, C. A.","Schorlomite: a discussion of the crystal chemistry, formula, and inter-species boundaries Garnet Sample: Afrikanda, Kola Peninsula, Russia","Physics and Chemistry of Minerals","2005","32","","277","289","10.1007/s00269-005-0466-7","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:48",""
"9007371","12.1524","","12.1524","","12.1524","","90","","90","","90","","1794.68","","","","","","","","","","","","","11","I a -3 d","-I 4bd 2c 3","230","","","Schorlomite","- Al0.157 Ca2.915 Fe1.341 Mg0.158 Mn0.034 Na0.02 Nb0.002 O12 Si2.263 Ti1.054 Zr0.056 -","- Al0.1569 Ca2.9151 Fe1.3408 Mg0.158 Mn0.0339 Na0.0201 Nb0.002 O12 Si2.2629 Ti1.054 Zr0.056 -","- Al1.2552 Ca23.3208 Fe10.7264 Mg1.264 Mn0.2712 Na0.1608 Nb0.016 O96 Si18.1032 Ti8.432 Zr0.448 -","8","0.0833333","","Chakhmouradian, A. R.; McCammon, C. A.","Schorlomite: a discussion of the crystal chemistry, formula, and inter-species boundaries Garnet Sample: Magnet Cove alkaline complex, Hot Springs County, Arkansas","Physics and Chemistry of Minerals","2005","32","","277","289","10.1007/s00269-005-0466-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007372","5.2389","","9.2803","","13.4406","","90","","90","","90","","653.463","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- O5 Si2 Sr -","- O5 Si2 Sr -","- O40 Si16 Sr8 -","8","0.5","","Kojitani, H.; Kido, M.; Akaogi, M.","Rietveld analysis of a new high-pressure strontium silicate SrSi2O5 BaGe2O5 III-type structure","Physics and Chemistry of Minerals","2005","32","","290","294","10.1007/s00269-005-0467-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007373","11.311","","3.836","","11.229","","90","","90","","90","","487.215","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Caracas, R.; Gonze, X.","First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory","Physics and Chemistry of Minerals","2005","32","","295","300","10.1007/s00269-005-0470-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007374","11.794","","3.986","","11.648","","90","","90","","90","","547.583","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Antimonselite","- Sb2 Se3 -","- Sb2 Se3 -","- Sb8 Se12 -","4","0.5","","Caracas, R.; Gonze, X.","First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory","Physics and Chemistry of Minerals","2005","32","","295","300","10.1007/s00269-005-0470-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007375","11.305","","3.981","","11.147","","90","","90","","90","","501.673","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Caracas, R.; Gonze, X.","First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory","Physics and Chemistry of Minerals","2005","32","","295","300","10.1007/s00269-005-0470-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007376","11.83","","4.09","","11.62","","90","","90","","90","","562.23","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Guanajuatite","- Bi2 Se3 -","- Bi2 Se3 -","- Bi8 Se12 -","4","0.5","","Caracas, R.; Gonze, X.","First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory","Physics and Chemistry of Minerals","2005","32","","295","300","10.1007/s00269-005-0470-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007377","4.752","","10.192","","5.978","","90","","90","","90","","289.529","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Forsterite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Kirfel, A.; Lippmann, T.; Blaha, P.; Schwarz, K.; Cox, D. F.; Rosso, K. M.; Gibbs, G. V.","Electron density distribution and bond critical point properties for forsterite, Mg2 SiO4, determined with synchrotron single crystal X-ray diffraction data Note: Olivine Sample: (HO;0.7) refinement","Physics and Chemistry of Minerals","2005","32","","301","313","10.1007/s00269-005-0468-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007378","4.98","","4.98","","5.46","","90","","90","","120","","117.269","","","","","","","","","","","","","2","P 32 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Rosa, A. L.; El-Barbary A A; Heggie, M. I.; Briddon, P. R.","Structural and thermodynamic properties of water related defects in alpha-quartz Note: Hypothetical structure derived using density-functional theory","Physics and Chemistry of Minerals","2005","32","","323","331","10.1007/s00269-005-0005-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007379","14.024","","5.109","","8.733","","90","","90","","90","","625.707","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","Superhydrous Phase B","","Superhydrous Phase B","- H4 Mg10 O18 Si3 -","- H4 Mg10 O18 Si3 -","- H8 Mg20 O36 Si6 -","2","0.5","","Koch-Muller M; Dera, P.; Fei, Y.; Hellwig, H.; Liu, Z.; Van Orman, J.; Wirth, R.","Polymorphic phase transition in Superhydrous Phase B Sample: MKM0105 Note: z(O6) corrected by authors","Physics and Chemistry of Minerals","2005","32","","349","361","10.1007/s00269-005-0007-4","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007380","13.991","","5.097","","8.715","","90","","90","","90","","621.485","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","Superhydrous Phase B (deuterated)","","","- D3.2 H0.8 Mg8.2 Ni1.8 O18 Si3 -","- D3.2 H0.8 Mg8.2 Ni1.8 O18 Si3 -","- D6.4 H1.6 Mg16.4 Ni3.6 O36 Si6 -","2","0.25","","Koch-Muller M; Dera, P.; Fei, Y.; Hellwig, H.; Liu, Z.; Van Orman, J.; Wirth, R.","Polymorphic phase transition in Superhydrous Phase B Sample: JIM252","Physics and Chemistry of Minerals","2005","32","","349","361","10.1007/s00269-005-0007-4","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007381","6.7766","","6.7766","","9.9275","","90","","90","","120","","394.816","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- K2 O9 Si3 Ti -","- K2 O9 Si3 Ti -","- K4 O18 Si6 Ti2 -","2","0.166667","","Xu, H.; Navrotsky, A.; Balmer, M. L.; Su, Y.","Crystal-chemical and energetic systematics of wadeite-type phases A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr)","Physics and Chemistry of Minerals","2005","32","","426","435","10.1007/s00269-005-0017-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007382","6.936","","6.936","","10.1822","","90","","90","","120","","424.219","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","Wadeite","- K2 O9 Si3 Zr -","- K2 O9 Si3 Zr -","- K4 O18 Si6 Zr2 -","2","0.166667","","Xu, H.; Navrotsky, A.; Balmer, M. L.; Su, Y.","Crystal-chemical and energetic systematics of wadeite-type phases A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr)","Physics and Chemistry of Minerals","2005","32","","426","435","10.1007/s00269-005-0017-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007383","7.2319","","7.2319","","10.2688","","90","","90","","120","","465.109","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cs2 O9 Si3 Zr -","- Cs2 O9 Si3 Zr -","- Cs4 O18 Si6 Zr2 -","2","0.166667","","Xu, H.; Navrotsky, A.; Balmer, M. L.; Su, Y.","Crystal-chemical and energetic systematics of wadeite-type phases A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr)","Physics and Chemistry of Minerals","2005","32","","426","435","10.1007/s00269-005-0017-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007384","5.1386","","5.1386","","14.2857","","90","","90","","120","","326.679","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Pyrophanite","- Mn O3 Ti -","- Mn O3 Ti -","- Mn6 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures","Physics and Chemistry of Minerals","2005","32","","442","449","10.1007/s00269-005-0020-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007385","5.0855","","5.0855","","14.0191","","90","","90","","120","","313.992","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mn0.5 Ni0.5 O3 Ti -","- Mn0.5 Ni0.5 O3 Ti -","- Mn3 Ni3 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures","Physics and Chemistry of Minerals","2005","32","","442","449","10.1007/s00269-005-0020-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007386","5.077","","5.077","","13.9727","","90","","90","","120","","311.907","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","Pyrophanite","- Mg0.25 Mn0.25 Ni0.25 O3 Ti Zn0.25 -","- Mg0.25 Mn0.25 Ni0.25 O3 Ti Zn0.25 -","- Mg1.5 Mn1.5 Ni1.5 O18 Ti6 Zn1.5 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures","Physics and Chemistry of Minerals","2005","32","","442","449","10.1007/s00269-005-0020-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007387","5.0544","","5.0544","","13.8737","","90","","90","","120","","306.946","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Geikielite","- Mg0.333 Ni0.333 O3 Ti Zn0.333 -","- Mg0.33333 Ni0.33333 O3 Ti Zn0.33333 -","- Mg1.99998 Ni1.99998 O18 Ti6 Zn1.99998 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures","Physics and Chemistry of Minerals","2005","32","","442","449","10.1007/s00269-005-0020-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007388","5.0418","","5.0418","","13.8494","","90","","90","","120","","304.883","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Geikielite","- Mg0.5 Ni0.5 O3 Ti -","- Mg0.5 Ni0.5 O3 Ti -","- Mg3 Ni3 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures","Physics and Chemistry of Minerals","2005","32","","442","449","10.1007/s00269-005-0020-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007389","5.0321","","5.0321","","13.7924","","90","","90","","120","","302.461","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ni O3 Ti -","- Ni O3 Ti -","- Ni6 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures","Physics and Chemistry of Minerals","2005","32","","442","449","10.1007/s00269-005-0020-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007390","7.2252","","9.0754","","6.7851","","90","","113.51","","90","","407.978","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Ge O5 Sr Ti -","- Ge O5 Sr Ti -","- Ge4 O20 Sr4 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr100","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007391","7.2125","","9.0557","","6.7692","","90","","113.52","","90","","405.394","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.076 Ge O5 Sr0.923 Ti -","- Ca0.076 Ge O5 Sr0.923 Ti -","- Ca0.304 Ge4 O20 Sr3.692 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr90","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007392","7.1916","","9.0134","","6.7387","","90","","113.593","","90","","400.296","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.3 Ge O5 Sr0.699 Ti -","- Ca0.3 Ge O5 Sr0.699 Ti -","- Ca1.2 Ge4 O20 Sr2.796 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr70","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007393","7.1929","","8.9996","","6.7295","","90","","113.647","","90","","399.045","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.389 Ge O5 Sr0.61 Ti -","- Ca0.389 Ge O5 Sr0.61 Ti -","- Ca1.556 Ge4 O20 Sr2.44 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr60","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007394","7.1779","","8.9752","","6.7105","","90","","113.658","","90","","395.978","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.507 Ge O5 Sr0.492 Ti -","- Ca0.507 Ge O5 Sr0.492 Ti -","- Ca2.028 Ge4 O20 Sr1.968 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr50","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007395","7.1757","","8.9564","","6.6988","","90","","113.708","","90","","394.188","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.593 Ge O5 Sr0.406 Ti -","- Ca0.593 Ge O5 Sr0.406 Ti -","- Ca2.372 Ge4 O20 Sr1.624 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr40","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007396","7.1677","","8.9408","","6.6869","","90","","113.724","","90","","392.317","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.713 Ge O5 Sr0.286 Ti -","- Ca0.713 Ge O5 Sr0.286 Ti -","- Ca2.852 Ge4 O20 Sr1.144 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr30","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007397","7.158","","8.9075","","6.663","","90","","113.766","","90","","388.806","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ca0.903 Ge O5 Sr0.096 Ti -","- Ca0.903 Ge O5 Sr0.096 Ti -","- Ca3.612 Ge4 O20 Sr0.384 Ti4 -","4","1","","Ellemann-Olesen R; Malcherek, T.","The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr10","Physics and Chemistry of Minerals","2005","32","","531","545","10.1007/s00269-005-0019-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007398","11.269","","3.9717","","11.129","","90","","90","","90","","498.102","","","","","","","","100","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Sample: P = .0001 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007399","11.136","","3.9574","","11.035","","90","","90","","90","","486.308","","","","","","","","970000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = .97 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007400","10.987","","3.9353","","10.903","","90","","90","","90","","471.415","","","","","","","","2430000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 2.43 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007401","10.907","","3.9191","","10.822","","90","","90","","90","","462.593","","","","","","","","3530000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 3.53 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007402","10.758","","3.8833","","10.65","","90","","90","","90","","444.92","","","","","","","","5920000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 5.92 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007403","10.701","","3.8655","","10.565","","90","","90","","90","","437.018","","","","","","","","7220000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 7.22 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007404","10.659","","3.8525","","10.51","","90","","90","","90","","431.581","","","","","","","","8300000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 8.30 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007405","10.634","","3.8423","","10.463","","90","","90","","90","","427.508","","","","","","","","9180000","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T","Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 9.18 GPa","Physics and Chemistry of Minerals","2005","32","","578","584","10.1007/s00269-005-0033-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007406","4.77572","","10.27159","","6.00235","","90","","90","","90","","294.441","","","","293.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A.","Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 20 C","Physics and Chemistry of Minerals","2005","32","","655","664","10.1007/s00269-005-0040-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007407","4.78873","","10.30879","","6.02484","","90","","90","","90","","297.422","","","","573.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A.","Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 300 C","Physics and Chemistry of Minerals","2005","32","","655","664","10.1007/s00269-005-0040-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007408","4.80159","","10.34656","","6.04592","","90","","90","","90","","300.361","","","","873.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A.","Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 600 C","Physics and Chemistry of Minerals","2005","32","","655","664","10.1007/s00269-005-0040-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007409","4.81065","","10.37135","","6.06168","","90","","90","","90","","302.435","","","","1073.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A.","Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 800 C","Physics and Chemistry of Minerals","2005","32","","655","664","10.1007/s00269-005-0040-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007410","4.82045","","10.39863","","6.07821","","90","","90","","90","","304.677","","","","1273.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A.","Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 1000 C","Physics and Chemistry of Minerals","2005","32","","655","664","10.1007/s00269-005-0040-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007983","11.852","","12.458","","6.3861","","90","","113.84","","90","","862.47","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Ca0.312 Fe2 Mg Na0.376 O12 P3 -","- Ca0.312 Fe2 Mg Na0.376 O12 P3 -","- Ca1.248 Fe8 Mg4 Na1.504 O48 P12 -","4","0.5","","Zid, M. F.; Driss, A.; Jouini, T.","(Na0.38,Ca0.31)MgFe2P3O12","Acta Crystallographica, Section E","2005","61","","i46","i48","10.1107/S1600536805006756","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007984","16.292","","7.2154","","13.68","","90","","90","","90","","1608.13","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cs2 O15 Si6 Th -","- Cs2 O15 Si6 Th -","- Cs8 O60 Si24 Th4 -","4","1","","Woodward, J. D.; Almond, P. M.; Albrecht-Schmitt T E","Caesium thorium silicate, Cs2ThSi6O15","Acta Crystallographica, Section E","2005","61","","i58","i60","10.1107/S1600536805008421","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007985","10.898","","21.521","","6.623","","90","","90","","90","","1553.33","","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- As4 Fe3 K3 O16 -","- As4 Fe3 K3 O16 -","- As16 Fe12 K12 O64 -","4","0.25","","Ouerfelli, N.; Zid, M. F.; Jouini, T.","Compose a charpente bidimensionnelle K3Fe3(AsO4)4","Acta Crystallographica, Section E","2005","61","","i67","i69","10.1107/S1600536805008998","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007986","6.7964","","6.7964","","24.7282","","90","","90","","90","","1142.22","","","","","","","","","","","","","3","P 41","P 4w","76","","","Percleveite-(Ce)","- Ce2 O7 Si2 -","- Ce2 O7 Si2 -","- Ce16 O56 Si16 -","8","2","","Deng, B.; Ibers, J. A.","Dicerium disilicate, Ce2[Si2O7]","Acta Crystallographica, Section E","2005","61","","i76","i78","10.1107/S1600536805011049","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007987","10.188","","10.188","","10.188","","90","","90","","90","","1057.47","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- H8 Mn2 N2 O12 S3 -","- H8 Mn2 N2 O12 S3 -","- H32 Mn8 N8 O48 S12 -","4","0.333333","","Zhang, X. M.; Hao, Z. M.; Ng, S. W.","Langbeinite-type (NH4)2Mn2(SO4)3","Acta Crystallographica, Section E","2005","61","","i82","i83","10.1107/S1600536805011736","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007988","6.9463","","7.2563","","15.0697","","90","","94.791","","90","","756.926","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cd O3 Si -","- Cd O3 Si -","- Cd12 O36 Si12 -","12","3","","Weil, M.","Parawollastonite-type Cd3[Si3O9]","Acta Crystallographica, Section E","2005","61","","i102","i104","10.1107/S1600536805015278","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007989","10.568","","18.258","","5.025","","90","","90","","90","","969.576","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co H8 O12 P2 Zn2 -","- Co H8 O12 P2 Zn2 -","- Co4 H32 O48 P8 Zn8 -","4","0.5","","Wu, W. Y.; Liang, X. Q.; Li, Y. Z.","CoZn2(PO4)2*4H2O, a cobalt-doped modification of hopeite","Acta Crystallographica, Section E","2005","61","","i105","i107","10.1107/S1600536805014078","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007990","10.562","","18.224","","5.0133","","90","","90","","90","","964.969","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H8 Ni O12 P2 Zn2 -","- H8 Ni O12 P2 Zn2 -","- H32 Ni4 O48 P8 Zn8 -","4","0.5","","Wu, W. Y.; Liang, X. Q.; Li, Y. Z.","NiZn2(PO4)2*4H2O, a nickel-doped modification of hopeite","Acta Crystallographica, Section E","2005","61","","i108","i110","10.1107/S160053680501408X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007991","5.672","","10.737","","16.742","","90","","90","","90","","1019.59","","150","2","150","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- K Nb5 O13 -","- K Nb5 O13 -","- K4 Nb20 O52 -","4","0.5","MG6037","Kwak, J.; Yun, H.; Chae, H. K.","A new potassium niobate, KNb~5~O~13~","Acta Crystallographica Section E","2005","61","7","i132","i134","10.1107/S1600536805017897","","","0.71073","MoKα","","","0.0189","","","","0.0455","","","","","","1.185","","","","has coordinates","282068","2023-03-26","10:21:06",""
"9007994","10.5565","","10.5565","","7.7584","","90","","90","","120","","748.76","","","","","","","","","","","","Synthetic","4","P 63/m","-P 6c","176","","","","- Ba5 Cl O12 V3 -","- Ba5 Cl O12 V3 -","- Ba10 Cl2 O24 V6 -","2","0.166667","","Roh, Y. H.; Hong, S. T.","Apatite-type Ba5(VO4)3Cl","Acta Crystallographica, Section E","2005","61","","i140","i142","10.1107/S1600536805018854","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007997","6.73","","22.302","","7.4309","","90","","113.827","","90","","1020.26","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","","- As2 Ca1.5 Na Nb2 O12 -","- As2 Ca1.5 Na Nb2 O12 -","- As8 Ca6 Na4 Nb8 O48 -","4","0.5","","Amor, R. B.; Zid, M. F.","NaCa1.5(NbO)2O2(AsO4)2","Acta Crystallographica, Section E","2005","61","","i228","i230","10.1107/S1600536805031429","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007998","8.3","","8.3","","22.469","","90","","90","","120","","1340.51","","","","","","","","","","","","Synthetic","6","R -3 :H","-R 3","148","","","","- Cr4 K0.31 Li4.998 Na0.69 O24 P6 -","- Cr4 K0.31 Li4.998 Na0.69 O24 P6 -","- Cr12 K0.93 Li14.994 Na2.07 O72 P18 -","3","0.166667","","Kouass, S.; Boughzala, H.","NASICON-type Li2.5K0.16Na0.34Cr2(PO4)3","Acta Crystallographica, Section E","2005","61","","i231","i233","10.1107/S1600536805022269","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007999","7.2391","","10.658","","5.988","","90","","90","","90","","462","","","","","","","","","","","","Synthetic","3","P b c n","-P 2n 2ab","60","","","","- Mg O5 Te2 -","- Mg O5 Te2 -","- Mg4 O20 Te8 -","4","0.5","","Weil, M.","Redetermination of MgTe2O5","Acta Crystallographica, Section E","2005","61","","i237","i239","10.1107/S1600536805033751","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008000","7.481","","8.2693","","9.859","","90","","108.76","","90","","577.502","","","","120","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","","","","- B8 Ca H4 O15 -","- B8 Ca H4 O15 -","- B16 Ca2 H8 O30 -","2","1","","Wiggin, S. B.; Weller, M. T.","Redetermination of CaB8O11(OH)4 at low temperature Note: T = 120 K","Acta Crystallographica, Section E","2005","61","","i243","i245","10.1107/S1600536805029296","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008001","5.7434","","12.6002","","5.7405","","90","","90","","90","","415.428","","","","","","","","","","","","Synthetic","3","C c c e :1","C 2 2 -1ac","68","","","","- Ca Cl2 O2 -","- Ca Cl2 O2 -","- Ca8 Cl16 O16 -","8","0.5","","Smolentsev, A. I.; Naumov, D. Y.","Calcium chlorite, Ca(ClO2)2, from X-ray powder diffraction data","Acta Crystallographica, Section E","2005","61","","i246","i248","10.1107/S160053680503415X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008002","5.9799","","12.7519","","5.9787","","90","","90","","90","","455.906","","","","","","","","","","","","Synthetic","3","C c c e :1","C 2 2 -1ac","68","","","","- Cl2 O2 Sr -","- Cl2 O2 Sr -","- Cl16 O16 Sr8 -","8","0.5","","Smolentsev, A. I.; Naumov, D. Y.","Strontium chlorite, Sr(ClO2)2, from X-ray powder diffraction data","Acta Crystallographica, Section E","2005","61","","i249","i250","10.1107/S1600536805034161","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008005","9.766","","9.692","","9.811","","90","","102.53","","90","","906.514","","","","","","","","","","","","Synthetic","5","P 1 21/n 1","-P 2yn","14","","","","- Fe2 H5 Na O11 P2 -","- Fe2 H5 Na O11 P2 -","- Fe8 H20 Na4 O44 P8 -","4","1","","Gao, S.; Ng, S. W.","Sodium diiron(III) diphosphate hydroxide dihydrate","Acta Crystallographica, Section E","2005","61","","i268","i269","10.1107/S1600536805036226","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009218","3.9299","","3.9299","","3.9299","","90","","90","","90","","60.694","","","","300","","","","271000000","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.166667","","Kuwayama, Y.; Hirose, K.; Sata, N.; Ohishi, Y.","The pyrite-type high-pressure form of silica Sample: P = 271 GPa, T = 300 K","Science","2005","309","","923","925","10.1126/science.1114879","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009667","4.991","","4.991","","17.068","","90","","90","","120","","368.204","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Sitepu, H.; O'Connor B H; Li, D.","Comparative evaluation of the March and generalized spherical harmonic preferred orientation models using X-ray diffraction data for molybdite and calcite powders Note: March model","Journal of Applied Crystallography","2005","38","","158","167","10.1107/S0021889804031231","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009668","4.992","","4.992","","17.069","","90","","90","","120","","368.373","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Sitepu, H.; O'Connor B H; Li, D.","Comparative evaluation of the March and generalized spherical harmonic preferred orientation models using X-ray diffraction data for molybdite and calcite powders Note: GSH model","Journal of Applied Crystallography","2005","38","","158","167","10.1107/S0021889804031231","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009669","3.9616","","13.856","","3.6978","","90","","90","","90","","202.979","","","","","","","","","","","","Synthetic","2","P b n m","-P 2c 2ab","62","","","Molybdite","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","","Sitepu, H.; O'Connor B H; Li, D.","Comparative evaluation of the March and generalized spherical harmonic preferred orientation models using X-ray diffraction data for molybdite and calcite powders Note: GSH model","Journal of Applied Crystallography","2005","38","","158","167","10.1107/S0021889804031231","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009670","3.9621","","13.855","","3.6986","","90","","90","","90","","203.034","","","","","","","","","","","","Synthetic","2","P b n m","-P 2c 2ab","62","","","Molybdite","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","","Sitepu, H.; O'Connor B H; Li, D.","Comparative evaluation of the March and generalized spherical harmonic preferred orientation models using X-ray diffraction data for molybdite and calcite powders Note: March model","Journal of Applied Crystallography","2005","38","","158","167","10.1107/S0021889804031231","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009982","4.2579","","4.2579","","5.2149","","90","","90","","120","","81.878","","","","","","","","","","","","","2","P -3","-P 3","147","","","","- Ni Ti0.88 -","- Ni Ti0.88 -","- Ni9 Ti7.92 -","9","1.5","","Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T.","Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy","Materials Science Forum","2005","495","","255","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009983","4.2579","","4.2579","","5.2149","","90","","90","","120","","81.878","","","","","","","","","","","","","2","P 3","P 3","143","","","","- Ni Ti0.875 -","- Ni Ti0.875 -","- Ni9 Ti7.875 -","9","3","","Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T.","Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy","Materials Science Forum","2005","495","","255","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009984","4.2579","","4.2579","","5.2149","","90","","90","","120","","81.878","","","","","","","","","","","","","2","P 3 1 m","P 3 -2","157","","","","- Ni Ti0.876 -","- Ni Ti0.876 -","- Ni9 Ti7.884 -","9","1.5","","Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T.","Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy","Materials Science Forum","2005","495","","255","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010054","9.327","","13.563","","6.59","","90","","106.46","","90","","799.484","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As S -","- As16 S16 -","16","4","","Kyono, A.; Kimata, M.; Hatta, T.","Light-induced degradation dynamics in realgar: in situ structural investigation using single crystal X-ray diffraction and X-ray photoelectron spectroscopy Sample: Getchell mine, Nevada; t = 0 hours Note: space group corrected","American Mineralogist","2005","90","","1563","1570","10.2138/am.2005.1785","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010055","9.343","","13.561","","6.58","","90","","106.1","","90","","800.991","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As S -","- As16 S16 -","16","4","","Kyono, A.; Kimata, M.; Hatta, T.","Light-induced degradation dynamics in realgar: in situ structural investigation using single crystal X-ray diffraction and X-ray photoelectron spectroscopy Sample: Getchell mine, Nevada; t = 6 hours Note: space group corrected","American Mineralogist","2005","90","","1563","1570","10.2138/am.2005.1785","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010056","9.36","","13.573","","6.59","","90","","105.71","","90","","805.941","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As S -","- As16 S16 -","16","4","","Kyono, A.; Kimata, M.; Hatta, T.","Light-induced degradation dynamics in realgar: in situ structural investigation using single crystal X-ray diffraction and X-ray photoelectron spectroscopy Sample: Getchell mine, Nevada; t = 12 hours Note: space group corrected","American Mineralogist","2005","90","","1563","1570","10.2138/am.2005.1785","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010057","9.38","","13.569","","6.593","","90","","105.55","","90","","808.424","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As S -","- As16 S16 -","16","4","","Kyono, A.; Kimata, M.; Hatta, T.","Light-induced degradation dynamics in realgar: in situ structural investigation using single crystal X-ray diffraction and X-ray photoelectron spectroscopy Sample: Getchell mine, Nevada; t = 18 hours Note: space group corrected","American Mineralogist","2005","90","","1563","1570","10.2138/am.2005.1785","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010058","9.385","","13.57","","6.6","","90","","105.36","","90","","810.516","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As S -","- As16 S16 -","16","4","","Kyono, A.; Kimata, M.; Hatta, T.","Light-induced degradation dynamics in realgar: in situ structural investigation using single crystal X-ray diffraction and X-ray photoelectron spectroscopy Sample: Getchell mine, Nevada; t = 24 hours Note: space group corrected","American Mineralogist","2005","90","","1563","1570","10.2138/am.2005.1785","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010732","11.525","","11.525","","33.347","","90","","90","","120","","3835.92","","","","","","","","","","","","Le Coreux, Salmchateau, Belgium","6","P 31","P 31","144","","","Stavelotite-(La)","- Cu Fe7 La3 Mn22 O72 Si12 -","- Cu Fe7 La3 Mn22 O72 Si12 -","- Cu3 Fe21 La9 Mn66 O216 Si36 -","3","1","","Bernhardt, H. J.; Armbruster, T.; Fransolet, A. M.; Schreyer, W.","Stavelotite-(La), a new lanthanum-manganese-sorosilicate mineral from the Stavelot Massif, Belgium Locality: Le Coreux, Salmchateau, Belgium","European Journal of Mineralogy","2005","17","","703","714","10.1127/0935-1221/2005/0017-0703","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010733","12.8784","","12.8784","","37.0078","","90","","90","","120","","5315.54","","","","","","","","","","","","Latera Caldera, Farnese, Viterbo Province, Italy","10","P 63/m","-P 6c","176","","","Farneseite","- Al21 Ca4.26 Cl0.24 F0.078 H10 K4.59 Na17.826 O111.512 S5.366 Si21 -","- Al21 Ca4.26 Cl0.24 F0.078 H3.024 K4.59 Na17.826 O111.512 S5.366 Si21 -","- Al42 Ca8.52 Cl0.48 F0.156 H6.048 K9.18 Na35.652 O223.024 S10.732 Si42 -","2","0.166667","","Camara, F.; Bellatreccia, F.; Della Ventura, G.; Mottana, A.","Farneseite, a new mineral of the cancrinite - sodalite group with a 14-layer stacking sequence: occurence and crystal structure","European Journal of Mineralogy","2005","17","","839","846","10.1127/0935-1221/2005/0017-0839","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010848","4.8495","","5.4635","","5.0462","","90","","90","","90","","133.7","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.425 Zr0.575 -","- O2 Ti0.425 Zr0.575 -","- O8 Ti1.7 Zr2.3 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.425","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010849","4.8349","","5.4801","","5.0439","","90","","90","","90","","133.642","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.45 Zr0.55 -","- O2 Ti0.45 Zr0.55 -","- O8 Ti1.8 Zr2.2 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.450","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010850","4.8069","","5.4785","","5.0339","","90","","90","","90","","132.566","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.5 Zr0.5 -","- O2 Ti0.5 Zr0.5 -","- O8 Ti2 Zr2 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.500","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010851","4.7762","","5.501","","5.0253","","90","","90","","90","","132.034","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.548 Zr0.452 -","- O2 Ti0.548 Zr0.452 -","- O8 Ti2.192 Zr1.808 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.548","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010852","4.7447","","5.4925","","5.0119","","90","","90","","90","","130.611","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.6 Zr0.4 -","- O2 Ti0.6 Zr0.4 -","- O8 Ti2.4 Zr1.6 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.600","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010853","4.72","","5.5078","","5.0018","","90","","90","","90","","130.031","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.65 Zr0.35 -","- O2 Ti0.65 Zr0.35 -","- O8 Ti2.6 Zr1.4 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.650","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010854","4.7112","","5.4944","","4.9962","","90","","90","","90","","129.328","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Srilankite","- O2 Ti0.666 Zr0.334 -","- O2 Ti0.666 Zr0.334 -","- O8 Ti2.664 Zr1.336 -","4","0.5","","Troitzsch, U.; Christy, A. G.; Ellis, D. J.","The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.666","Physics and Chemistry of Minerals","2005","32","","504","514","10.1007/s00269-005-0027-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010855","9.8672","","9.0469","","5.2584","","90","","104.794","","90","","453.844","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K.","Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd10hk1a","Physics and Chemistry of Minerals","2005","32","","552","563","10.1007/s00269-005-0025-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010856","9.8605","","9.0304","","5.269","","90","","105.138","","90","","452.894","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe0.789 O6 Si2 Zn0.211 -","- Ca Fe0.78926 O6 Si2 Zn0.21074 -","- Ca4 Fe3.15704 O24 Si8 Zn0.84296 -","4","0.5","","Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K.","Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd8b41a","Physics and Chemistry of Minerals","2005","32","","552","563","10.1007/s00269-005-0025-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010857","9.8502","","9.0294","","5.2584","","90","","105.052","","90","","451.643","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe0.835 O6 Si2 Zn0.165 -","- Ca Fe0.83482 O6 Si2 Zn0.16518 -","- Ca4 Fe3.33928 O24 Si8 Zn0.66072 -","4","0.5","","Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K.","Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd7gb21","Physics and Chemistry of Minerals","2005","32","","552","563","10.1007/s00269-005-0025-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010858","9.8447","","9.0175","","5.2614","","90","","105.342","","90","","450.434","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe0.504 O6 Si2 Zn0.496 -","- Ca Fe0.5038 O6 Si2 Zn0.4961 -","- Ca4 Fe2.0152 O24 Si8 Zn1.9844 -","4","0.5","","Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K.","Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd4gb31","Physics and Chemistry of Minerals","2005","32","","552","563","10.1007/s00269-005-0025-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010859","9.8369","","9.0043","","5.2605","","90","","105.435","","90","","449.14","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe0.413 O6 Si2 Zn0.587 -","- Ca Fe0.41322 O6 Si2 Zn0.58678 -","- Ca4 Fe1.65288 O24 Si8 Zn2.34712 -","4","0.5","","Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K.","Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd3gb31","Physics and Chemistry of Minerals","2005","32","","552","563","10.1007/s00269-005-0025-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010860","9.8243","","8.9939","","5.2608","","90","","105.794","","90","","447.289","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Petedunnite","- Ca O6 Si2 Zn -","- Ca O6 Si2 Zn -","- Ca4 O24 Si8 Zn4 -","4","0.5","","Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K.","Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: pd9_1b","Physics and Chemistry of Minerals","2005","32","","552","563","10.1007/s00269-005-0025-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011535","5.2735","","9.1165","","13.561","","90","","97.69","","90","","646.093","","","","","","","","","","","","Synthetic","8","C 1 2/m 1","-C 2y","12","","","","- C2.784 H9.112 F2 Li0.618 Mg2.382 N0.696 O10 Si4 -","- C5.568 H18.224 F4 Li1.236 Mg4.764 N1.392 O20 Si8 -","- C5.568 H18.224 F4 Li1.236 Mg4.764 N1.392 O20 Si8 -","","","","Seidl, W.; Breu, J.","Single crystal structure refinement of tetramethylammonium-hectorite Note: isostructural with hectorite Note: anisoU's and H data from ICSD","Zeitschrift fur Kristallographie","2005","220","","169","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011828","10.4616","","10.7527","","6.2648","","90","","109","","90","","666.335","","","","","","","","","","","","Bir Bir River, Yubdo District, Wallaga Province, Ethiopia","3","C 1 2/m 1","-C 2y","12","","","Kingstonite","- Ir0.727 Rh2.273 S4 -","- Ir4.36 Rh13.64 S24 -","- Ir4.36 Rh13.64 S24 -","","","","Stanley, C. J.; Criddle, A. J.; Spratt, J.; Roberts, A. C.; Szymanski, J. T.; Welch, M. D.","Kingstonite, (Rh,Ir,Pt)3S4, a new mineral species from Yubdo, Ethiopia","Mineralogical Magazine","2005","69","","447","453","10.1180/0026461056940262","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:04",""
"9012071","6.4681","","8.7816","","7.5668","","90","","98.927","","90","","424.59","","","","","","","","","","","","Synthetic","5","P 1 21/n 1","-P 2yn","14","","","Ahlfeldite","- Co0.4 H4 Ni0.6 O5 Se -","- Co1.6 H16 Ni2.4 O20 Se4 -","- Co1.6 H16 Ni2.4 O20 Se4 -","","","","Larranaga, A.; Mesa, J. L.; Pizarro, J. L.; Pena, A.; Chapman, J. P.; Arriortua, M. I.; Rojo, T.","Thermal, spectroscopic and magnetic properties of the CoxNi1-x(SeO3)*2H2O (x = 0, 0.4, 1) phases crystal structure of Co0.4Ni0.6(SeO3)*2H2O","Materials Research Bulletin","2005","40","","781","793","10.1016/j.materresbull.2005.02.005","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:40",""
"9012353","4.5356","","4.6317","","7.0379","","90","","90","","90","","147.849","","","","245","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Behoite (deuterated)","- Be D2 O2 -","- Be4 D8 O8 -","- Be4 D8 O8 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 245 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012354","4.526","","4.6318","","7.0192","","90","","90","","90","","147.147","","","","50","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Behoite (deuterated)","- Be D2 O2 -","- Be4 D8 O8 -","- Be4 D8 O8 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 50 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012355","4.5259","","4.6314","","7.0193","","90","","90","","90","","147.133","","","","5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Behoite (deuterated)","- Be D2 O2 -","- Be4 D8 O8 -","- Be4 D8 O8 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 5 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012356","4.90855","","5.14641","","8.488","","90","","90","","90","","214.419","","","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Wulfingite (deuterated)","- D2 O2 Zn -","- D8 O8 Zn4 -","- D8 O8 Zn4 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 298 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012357","4.88877","","5.12854","","8.5029","","90","","90","","90","","213.187","","","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Wulfingite","- D2 O2 Zn -","- D8 O8 Zn4 -","- D8 O8 Zn4 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 120 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012358","4.88626","","5.12609","","8.5066","","90","","90","","90","","213.068","","","","50","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Wulfingite","- D2 O2 Zn -","- D8 O8 Zn4 -","- D8 O8 Zn4 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 50 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012359","4.88564","","5.12565","","8.50702","","90","","90","","90","","213.033","","","","5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Wulfingite","- D2 O2 Zn -","- D8 O8 Zn4 -","- D8 O8 Zn4 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 5 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012403","11.413","","14.164","","3.759","","90","","90","","90","","607.656","","","","","","","","","","","","Caspari mine, North Rhine-Westphalia, Germany","4","P n a m","-P 2c 2n","62","","","Garavellite","- Bi Fe S4 Sb -","- Bi4 Fe4 S16 Sb4 -","- Bi4 Fe4 S16 Sb4 -","","","","Bindi, L.; Menchetti, S.","Garavellite, FeSbBiS4, from the Caspari mine, North Rhine-Westphalia, Germany: composition, physical properties and determination of the crystal structure Locality: Caspari mine, North Rhine-Westphalia, Germany","Mineralogy and Petrology","2005","85","","131","139","10.1007/s00710-005-0083-7","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012662","14.679","","14.679","","14.679","","90","","90","","90","","3162.93","","","","","","","","","","","","Solongo deposit, Vitim Plateau, Buryatia, Zabaykalye, Russia","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Sakhaite","- C2 H8 Al0.12 B3.51 Ca6 Cl0.408 Fe0.351 Mg1.649 O18.888 Si0.49 -","- C2 H0.816 Al0.12 B3.5096 Ca6 Cl0.408 Fe0.3508 Mg1.6492 O18.888 Si0.4904 -","- C16 H6.528 Al0.96 B28.0768 Ca48 Cl3.264 Fe2.8064 Mg13.1936 O151.104 Si3.9232 -","8","0.0416667","","Yakubovich, O. V.; Steele, I. M.; Gavrilenko, P. G.; Urusov, V. S.","Crystal structure of sakhaite from the Solongo deposit in connection with the crystal chemical interpretation of the sakhaite-harkerite mineral series","Crystallography Reports","2005","50","","226","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9012663","14.231","","14.231","","29.984","","90","","90","","120","","5258.85","","","","","","","","","","","","Kovdor massif, Kola Peninsula, Russia","14","R 3 m :H","R 3 -2""","160","","","Golyshevite","- C H6.82 Al0.08 Ca9.348 Ce0.102 Cl0.29 Fe2.19 K0.6 Mn0.3 Na10.44 Nb0.57 O78.53 Si24.66 Zr3 -","- C H4.24 Al0.08 Ca9.348 Ce0.102 Cl0.29 Fe2.19 K0.6 Mn0.3 Na10.44 Nb0.57 O78.53 Si24.66 Zr3 -","- C3 H12.72 Al0.24 Ca28.044 Ce0.306 Cl0.87 Fe6.57 K1.8 Mn0.9 Na31.32 Nb1.71 O235.59 Si73.98 Zr9 -","3","0.166667","","Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.; Verin, I. A.","Crystal structure of golyshevite","Crystallography Reports","2005","50","","539","543","10.1134/1.1996727","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:44",""
"9012664","13.831","","13.831","","15.023","","90","","90","","120","","2488.83","","","","193","","","","","","","","Khibiny alkaline massif, Kola Peninsula, Russia","7","R -3 m :H","-R 3 2""","166","","","Chabazite-K","- Al3.996 Ca0.84 H75 K1.333 Na1.02 O36.168 Si8.004 -","- Al3.996 Ca0.84 H24.336 K1.3332 Na1.02 O36.168 Si8.004 -","- Al11.988 Ca2.52 H73.008 K3.9996 Na3.06 O108.504 Si24.012 -","3","0.0833333","","Yakubovich, O. V.; Massa, W.; Gavrilenko, P. G.; Pekov, I. V.","Crystal structure of chabazite K Sample: T = 193 K","Crystallography Reports","2005","50","","544","553","10.1134/1.1996728","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9012807","9.6773","","9.6773","","6.8585","","90","","90","","120","","556.248","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Chlorellestadite","- Ca5 Cl O12 S1.5 Si1.5 -","- Ca10 Cl2 O24 S3 Si3 -","- Ca10 Cl2 O24 S3 Si3 -","","","","Saint-Jean S J; Hansen, S.","Nonstoichiometry in chlorellestadite Locality: synthetic Sample: Stoichiometric","Solid State Sciences","2005","7","","97","102","10.1016/j.solidstatesciences.2004.10.014","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9012808","9.5608","","9.5608","","6.8949","","90","","90","","120","","545.817","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Chlorellestadite","- Ca4.7 Cl0.4 O12 S1.5 Si1.5 -","- Ca9.4 Cl0.8 O24 S3 Si3 -","- Ca9.4 Cl0.8 O24 S3 Si3 -","","","","Saint-Jean S J; Hansen, S.","Nonstoichiometry in chlorellestadite Locality: synthetic Sample: Nonstoichiometric","Solid State Sciences","2005","7","","97","102","10.1016/j.solidstatesciences.2004.10.014","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9013144","13.4656","","5.7356","","11.0977","","90","","100.636","","90","","842.386","","","","","","","","","","","","Bayun Obo, Inner Mongolia, China","9","P 1 21/a 1","-P 2yab","14","","","Dingdaohengite-(Ce)","- Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84 -","- Ca0.88 Ce4.2 Fe3.44 La2.92 Mg0.8 Nb0.08 O44 Si8 Ti5.68 -","- Ca0.88 Ce4.2 Fe3.44 La2.92 Mg0.8 Nb0.08 O44 Si8 Ti5.68 -","","","","Li, G.; Yang, G.; Ma, Z.; Shi, N.; Xiong, M.; Sheng, G.; Fan, H.","The crystal structure of a new mineral dingdaohengite-(Ce)","Kuangwu Xuebao","2005","25","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013145","13.4656","","5.7356","","11.0977","","90","","100.636","","90","","842.386","","","","","","","","","","","","Bayun Obo, Inner Mongolia, China","9","C 1 2/m 1","-C 2y","12","","","Dingdaohengite-(Ce)","- Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84 -","- Ca0.88 Ce4.2 Fe3.44 La2.92 Mg0.8 Nb0.08 O44 Si8 Ti5.68 -","- Ca0.88 Ce4.2 Fe3.44 La2.92 Mg0.8 Nb0.08 O44 Si8 Ti5.68 -","","","","Li, G.; Yang, G.; Ma, Z.; Shi, N.; Xiong, M.; Sheng, G.; Fan, H.","The crystal structure of a new mineral dingdaohengite-(Ce)","Kuangwu Xuebao","2005","25","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013405","4.7586","","8.253","","10.758","","90","","92.845","","90","","421.975","","","","","","","","","","","","Synthetic","6","P 1 21/c 1","-P 2ybc","14","","","","- F2 Fe H4 K2 O8 P2 -","- F4 Fe2 H8 K4 O16 P4 -","- F4 Fe2 H8 K4 O16 P4 -","","","","Mi, J. X.; Wang, C. X.; Wei, Z. B.; Chen, F. J.; Xu, C. Y.; Mao, S. Y.","K2Fe[H(HPO4)2]F2","Acta Crystallographica, Section E","2005","61","","i143","i145","10.1107/S1600536805020635","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013491","25.878","","5.001","","18.526","","90","","117.69","","90","","2122.98","","","","298","","","","","","","","Synthetic","2","A 1 a 1","A -2ya","9","","","Tridymite","- O2 Si -","- O96 Si48 -","- O96 Si48 -","","","","Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K.","X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 298 K","Journal of Mineralogical and Petrological Sciences","2005","100","","55","69","10.2465/jmps.100.55","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013492","25.919","","5.004","","18.54","","90","","117.72","","90","","2128.64","","","","373","","","","","","","","Synthetic","2","A 1 a 1","A -2ya","9","","","Tridymite","- O2 Si -","- O96 Si48 -","- O96 Si48 -","","","","Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K.","X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 373 K","Journal of Mineralogical and Petrological Sciences","2005","100","","55","69","10.2465/jmps.100.55","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013493","26.163","","4.987","","8.199","","90","","90","","90","","1069.76","","","","413","","","","","","","","Synthetic","2","P 21 21 21","P 2ac 2ab","19","","","Tridymite","- O2 Si -","- O48 Si24 -","- O48 Si24 -","","","","Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K.","X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 413 K","Journal of Mineralogical and Petrological Sciences","2005","100","","55","69","10.2465/jmps.100.55","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013974","6.735","","7.425","","27.987","","90","","90","","123.25","","1170.43","","","","","","","","","","","","Ballycraigy, Northern Ireland","4","B 1 1 b","B -2b","9","","","Plombierite","- Ca2.5 H11 O12.5 Si3 -","- Ca2.5 H8 O12.5 Si3 -","- Ca10 H32 O50 Si12 -","4","1","","Bonaccorsi, E.; Merlino, S.","The crystal of tobermorite 14 A (plombierite) a C­S­H phase","Journal of the American Ceramic Society","2005","88","","505","512","10.1111/j.1551-2916.2005.00116.x","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013995","3.786","","10.916","","23.379","","90","","90","","90","","966.207","","","","","","","","","","","","Gumeshevsk Deposit the Urals","5","P 21 21 21","P 2ac 2ab","19","","","Fukalite dimorph","- C H2 Ca4 O10.99 Si1.98 -","- C H2 Ca4 O10.99 Si1.98 -","- C4 H8 Ca16 O43.96 Si7.92 -","4","1","","Rastsvetaeva, R. K.; Bolotina, N. B.; Zadov, A. E.; Chukanov, N. V.","Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the Gumeshevsk Deposit the Urals","Doklady Earth Sciences","2005","","","1347","1351","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014557","5.9397","","5.9397","","5.9397","","90","","90","","90","","209.553","","","","","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Fluorocronite","- F2 Pb -","- F8 Pb4 -","- F8 Pb4 -","","","","Achary, S. N.; Tyagi, A. K.","Synthesis and characterization of mixed fluorides with PbF2 and ScF3","Powder Diffraction","2005","20","","254","258","10.1154/1.1948391","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014579","4.695","","11.906","","20.38","","90","","90","","90","","1139.21","","","","","","","","","","","","Voroni Tundry deposit, Kola Peninsula, Russia","8","P n m a","-P 2ac 2n","62","","","Holtite","- Al6.454 As0.21 B H O17.64 Sb0.36 Si2.43 Ta0.258 -","- Al6.454 As0.21 B H O17.64 Sb0.36 Si2.43 Ta0.258 -","- Al25.816 As0.84 B4 H4 O70.56 Sb1.44 Si9.72 Ta1.032 -","4","0.5","","Kazantsev, S. S.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; Zubkova, N. V.; Kabalov, Y. K.; Voloshin, A. V.","Crystal structure of holtite I","Crystallography Reports","2005","50","","42","47","10.1134/1.1857243","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015355","4.589","","4.849","","4.736","","90","","98.6","","90","","104.201","","","","","","","","","","","","Synthetic","2","P 1 21/c 1","-P 2ybc","14","","","Baddeleyite","- O2 Ti -","- O8 Ti4 -","- O8 Ti4 -","","","","Swamy, V.; Dubrovinsky, L. S.; Dubrovinskaia, N. A.; Langenhorst, F.; Simionovici, A. S.; Drakopoulos, M.; Dmitriev, V.; Weber, H. P.","Size effects on the structure and phase transition behavior of baddeleyite TiO2","Solid State Communications","2005","134","","541","546","10.1016/j.ssc.2005.02.035","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015417","5.227","","9.053","","10.153","","90","","100.53","","90","","472.349","","","","","","","","","","","","Krivoi mine, Khibiny Massif, Kola Peninsula, Russia","9","C 1 2/m 1","-C 2y","12","","","Celadonite","- Al0.42 Ca0.04 Fe1.3 H2 K0.78 Mg0.58 O12 Si3.68 Ti0.02 -","- Al0.84 Ca0.08 Fe2.6 H4 K1.56 Mg1.16 O24 Si7.36 Ti0.04 -","- Al0.84 Ca0.08 Fe2.6 H4 K1.56 Mg1.16 O24 Si7.36 Ti0.04 -","","","","Zhukhlistov, A. P.","Crystal structure of celadonite from the electron diffraction data","Crystallography Reports","2005","50","","902","906","10.1134/1.2132393","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015575","6.1637","","6.8166","","9.114","","90","","99.6515","","90","","377.509","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Clinoatacamite","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl4 Cu8 H12 O12 -","4","1","","Zheng, X. G.; Kawae, T.; Kashitani, Y.; Li, C. S.; Tateiwa, N.; Takeda, K.; Yamada, H.; Xu, C. N.; Ren, Y.","Unconventional magnetic transitions in the mineral clinoatacamite","Physical Review B","2005","71","","052409","052404","10.1103/PhysRevB.71.052409","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015817","15.8031","","15.8031","","7.0877","","90","","90","","120","","1532.92","","","","","","","","","","","","Eibenstein an der Thaya, Lower Austria","12","R 3 m :H","R 3 -2""","160","","","Rossmanite","- Al8.652 B3.252 Ca0.01 F0.04 Fe0.039 H4.85 Li0.33 Mn0.249 Na0.46 O30.96 Si5.472 Ti0.009 -","- Al8.652 B3.252 Ca0.01 F0.04 Fe0.039 H2.95 Li0.33 Mn0.249 Na0.46 O30.96 Si5.472 Ti0.009 -","- Al25.956 B9.756 Ca0.03 F0.12 Fe0.117 H8.85 Li0.99 Mn0.747 Na1.38 O92.88 Si16.416 Ti0.027 -","3","0.166667","","Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T.","Mn-bearing ""oxy-rossmanite"" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT1 Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 (Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] Tourmaline","American Mineralogist","2005","90","","481","487","10.2138/am.2005.1683","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9015965","8.864","","7.932","","12.491","","90","","90.153","","90","","878.23","","","","","","","","","","","","Challacollo silver mine, Iquique, Atacama desert, Chile","3","P 1 21/c 1","-P 2ybc","14","","","Challacolloite","- Cl5 K Pb2 -","- Cl20 K4 Pb8 -","- Cl20 K4 Pb8 -","","","","Schluter, J.; Pohl, D.; Britvin, S.","The new mineral challacolloite, KPb2Cl5, the natural occurrence of a technically known laser material","Neues Jahrbuch fur Mineralogie, Abhandlungen","2005","182","","95","101","10.1127/0077-7757/2005/0033","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016288","14.281","","14.281","","30.243","","90","","90","","120","","5341.62","","","","","","","","","","","","Koashva Mountain, Khibiny massif, Kola Peninsula, Russia","16","R 3 m :H","R 3 -2""","160","","","Andrianovite","- C1.38 H11.58 Ba0.27 Ca17.1 Ce3.06 Cl0.93 Fe6.3 Hf0.18 K4.32 Mn9.3 Na39.02 Nb2.34 O270.63 Si86.85 Sr3.15 Zr8.82 -","- C1.38 H11.58 Ba0.27 Ca17.1 Ce3.06 Cl0.93 Fe5.22 Hf0.18 K4.32 Mn5.58 Na35.1 Nb2.34 O234.63 Si74.85 Sr3.15 Zr8.82 -","- C1.38 H11.58 Ba0.27 Ca17.1 Ce3.06 Cl0.93 Fe5.22 Hf0.18 K4.32 Mn5.58 Na35.1 Nb2.34 O234.63 Si74.85 Sr3.15 Zr8.82 -","1","0.0555556","","Rastsvetaeva, R. K.; Rozenberg, K. A.; Khomyakov, A. P.","Crystal structure of a K analogue of Kentbrooksite","Doklady Chemistry","2005","403","","148","151","10.1007/s10631-005-0058-6","","","","","","","","","","","","","","","","","","","","","has coordinates","285100","2023-07-08","13:37:51",""
"9016532","15.8171","","15.8171","","7.0935","","90","","90","","120","","1536.9","","","","","","","","","","","","Eibenstein an der Thaya, Lower Austria","12","R 3 m :H","R 3 -2""","160","","","Rossmanite","- Al8.601 B3.24 Ca0.01 F0.04 Fe0.039 H2.899 Li0.321 Mn0.279 Na0.46 O30.96 Si5.508 Ti0.012 -","- Al8.601 B3.24 Ca0.01 F0.04 Fe0.039 H2.899 Li0.321 Mn0.279 Na0.46 O30.96 Si5.508 Ti0.012 -","- Al25.803 B9.72 Ca0.03 F0.12 Fe0.117 H8.697 Li0.963 Mn0.837 Na1.38 O92.88 Si16.524 Ti0.036 -","3","0.166667","","Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T.","Mn-bearing ""oxy-rossmanite"" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT4 Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6 (Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04] Tourmaline","American Mineralogist","2005","90","","481","487","10.2138/am.2005.1683","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016716","2.831","","2.831","","2.831","","90","","90","","90","","22.689","","","","","","","","","","","","lunar meteorite Dhofar 280 from Oman","5","P m -3 m","-P 4 2 3","221","","","Hapkeite","- Cr0.01 Fe1.27 Ni0.05 P0.06 Si0.62 -","- Cr0.01 Fe1.27 Ni0.05 P0.06 Si0.62 -","- Cr0.01 Fe1.27 Ni0.05 P0.06 Si0.62 -","","","","Anand, M.; Taylor, L. A.; Nazarov, M. A.; Shu, J.; Mao, H. K.; Hemley, R. J.","Space weathering on airless planetary bodies: Clues from the lunar mineral hapkeite","Proceedings of the National Academy of Sciences","2005","101","","6847","6851","10.1073/pnas.0401565101","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016789","18.277","","17.65","","5.2736","","90","","90","","90","","1701.21","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.97 F0.03 Fe1.23 H3.94 Li1.98 Mg1.8 Mn0.02 Na0.03 O23.97 Si7.99 Zn0.01 -","- Al1.97 F0.03 Fe1.23 H3.94 Li1.98 Mg1.8 Mn0.02 Na0.03 O23.97 Si7.99 Zn0.01 -","- Al7.88 F0.12 Fe4.92 H15.76 Li7.92 Mg7.2 Mn0.08 Na0.12 O95.88 Si31.96 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: HS 119915 Siberia","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016790","18.277","","17.646","","5.2792","","90","","90","","90","","1702.63","","","","","","","","","","","","","10","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.98 F0.02 Fe1.2 H3.96 Li1.71 Mg1.89 Mn0.01 Na0.03 O24 Si7.98 -","- Al1.98 F0.02 Fe1.2 H3.96 Li1.71 Mg1.89 Mn0.01 Na0.03 O23.98 Si7.98 -","- Al7.92 F0.08 Fe4.8 H15.84 Li6.84 Mg7.56 Mn0.04 Na0.12 O95.92 Si31.92 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Siberia","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:00",""
"9016791","18.2754","","17.6569","","5.2738","","90","","90","","90","","1701.79","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.76 F0.07 Fe1.2 H3.86 Li1.97 Mg2.01 Mn0.04 Na0.02 O23.93 Si8 Zn0.01 -","- Al1.76 F0.07 Fe1.2 H3.86 Li1.97 Mg2.01 Mn0.04 Na0.02 O23.93 Si8 Zn0.01 -","- Al7.04 F0.28 Fe4.8 H15.44 Li7.88 Mg8.04 Mn0.16 Na0.08 O95.72 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Rwanda","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016792","18.3345","","17.6955","","5.2764","","90","","90","","90","","1711.86","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.34 F0.09 Fe1.26 H3.82 Li1.98 Mg2.35 Mn0.04 Na0.05 O23.91 Si8 Zn0.01 -","- Al1.34 F0.09 Fe1.26 H3.82 Li1.98 Mg2.35 Mn0.04 Na0.05 O23.91 Si8 Zn0.01 -","- Al5.36 F0.36 Fe5.04 H15.28 Li7.92 Mg9.4 Mn0.16 Na0.2 O95.64 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Zaire","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016793","18.335","","17.693","","5.2743","","90","","90","","90","","1710.99","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.3 F0.13 Fe1.3 H3.74 Li1.93 Mg2.32 Mn0.06 Na0.1 O23.87 Si8 Zn0.01 -","- Al1.3 F0.13 Fe1.3 H3.74 Li1.93 Mg2.32 Mn0.06 Na0.1 O23.87 Si8 Zn0.01 -","- Al5.2 F0.52 Fe5.2 H14.96 Li7.72 Mg9.28 Mn0.24 Na0.4 O95.48 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Uto, Sweden","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016794","18.336","","17.693","","5.2755","","90","","90","","90","","1711.47","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Holmquistite","- Al1.33 F0.1 Fe1.26 H3.8 Li1.93 Mg2.42 Mn0.04 Na0.05 O23.9 Si8 Zn0.01 -","- Al1.33 F0.1 Fe1.26 H3.8 Li1.93 Mg2.42 Mn0.04 Na0.05 O23.9 Si8 Zn0.01 -","- Al5.32 F0.4 Fe5.04 H15.2 Li7.72 Mg9.68 Mn0.16 Na0.2 O95.6 Si32 Zn0.04 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Norway","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016795","18.2872","","17.6797","","5.2784","","90","","90","","90","","1706.57","","","","","","","","","","","","","11","P n m a","-P 2ac 2n","62","","","Ferro-holmquistite","- Al1.89 F0.03 Fe1.71 H3.94 K0.01 Li1.88 Mg1.47 Mn0.01 Na0.04 O23.97 Si8 -","- Al1.89 F0.03 Fe1.71 H3.94 K0.01 Li1.88 Mg1.47 Mn0.01 Na0.04 O23.97 Si8 -","- Al7.56 F0.12 Fe6.84 H15.76 K0.04 Li7.52 Mg5.88 Mn0.04 Na0.16 O95.88 Si32 -","4","0.5","","Camara, F.; Oberti, R.","The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Greenbushes, W Australia","American Mineralogist","2005","90","","1167","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017540","11.728","","11.973","","6.772","","90","","90","","90","","950.92","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","Goslarite","- H14 O11 S Zn -","- H14 O11 S Zn -","- H56 O44 S4 Zn4 -","4","1","","Anderson, J. L.; Peterson, R. C.; Swaison, I. P.","Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O) Note: Single crystal X-ray diffraction","Mineralogical Magazine","2005","69","","259","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017541","11.8176","","12.0755","","6.827","","90","","90","","90","","974.236","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","Goslarite","- H14 O11 S Zn -","- H14 O11 S Zn -","- H56 O44 S4 Zn4 -","4","1","","Anderson, J. L.; Peterson, R. C.; Swaison, I. P.","Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O) Note: Combined neutron powder X-ray refinement","Mineralogical Magazine","2005","69","","259","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017806","6.02797","","6.86383","","9.11562","","90","","90","","90","","377.158","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Atacamite","- Cl Cu2 H3 O3 -","- Cl4 Cu8 H12 O12 -","- Cl4 Cu8 H12 O12 -","","","","Zheng, X. G.; Mori, T.; Nishiyama, K.; Higemoto, W.; Yamada, H.; Nishikubo, K.; Xu, C. N.","Antiferromagnetic transitions in polymorphous minerals of the natural cuprates atacamite and botallackite Cu2Cl(OH)3","Physical Review B - Condensed Matter","2005","71","","174404","174408","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:23",""
"9017807","5.7165","","6.1182","","5.6283","","90","","93.1161","","90","","196.557","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","Botallackite","- Cl Cu2 H3 O3 -","- Cl2 Cu4 H6 O6 -","- Cl2 Cu4 H6 O6 -","","","","Zheng, X. G.; Mori, T.; Nishiyama, K.; Higemoto, W.; Yamada, H.; Nishikubo, K.; Xu, C. N.","Antiferromagnetic transitions in polymorphous minerals of the natural cuprates atacamite and botallackite Cu2Cl(OH)3","Physical Review B - Condensed Matter","2005","71","","174404","174408","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:24",""
"9017817","13.839","","13.839","","4.496","","90","","90","","120","","745.704","","","","","","","","","","","","Luobusha ophiolite, Tibet","4","P 63 m c","P 6c -2c","186","","","Yarlongite","- C13.117 Cr11.515 Fe12.355 Ni2.867 -","- C22.2336 Cr23.0292 Fe24.7092 Ni5.7336 -","- C22.2336 Cr23.0292 Fe24.7092 Ni5.7336 -","","","","Shi, N.; Ma, Z.; Xiong, M.; Dai, M.; Bai, W.; Fang, Q.; Yan, B.; Yang, J.","The crystal structure of (Fe4Cr4Ni)9C4","Science in China","2005","48","","338","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:24",""